#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1htd s PRO 4 N 0.00 2.38 -0.02 3.23 0.04 -1.26 -4.82 135.00 134.54 1htd s PRO 4 Ca 0.00 0.51 -0.30 0.00 0.04 0.00 0.00 61.00 61.24 1htd s PRO 4 Cb 0.00 -1.96 -0.03 0.00 0.04 0.00 0.00 34.50 32.54 1htd s PRO 4 CO 0.00 -1.39 1.11 -1.14 0.04 0.00 0.00 177.00 175.62 1htd s GLN 5 N -5.28 4.44 0.24 4.56 2.00 -1.26 -4.74 119.66 119.62 1htd s GLN 5 Ca 0.60 1.58 0.10 0.00 -2.00 0.00 0.00 55.36 55.64 1htd s GLN 5 Cb -0.13 -3.48 -0.05 0.00 0.80 0.00 0.00 33.01 30.16 1htd s GLN 5 CO 0.53 -0.28 -0.17 1.03 -0.50 0.00 0.00 175.29 175.90 1htd s ARG 6 N 1.59 1.50 -0.05 1.67 1.81 -0.16 -4.91 118.95 120.41 1htd s ARG 6 Ca 0.54 -1.68 0.01 0.00 -1.72 0.00 0.00 55.73 52.87 1htd s ARG 6 Cb -0.24 -1.43 0.02 0.00 -0.45 0.00 0.00 34.95 32.86 1htd s ARG 6 CO 0.24 0.25 -0.03 0.71 -0.68 0.00 0.00 175.30 175.79 1htd s TYR 7 N -2.75 0.70 -0.28 -0.53 2.02 0.14 -1.09 117.35 115.55 1htd s TYR 7 Ca 0.26 -0.18 -0.06 0.00 -0.37 0.00 0.00 57.07 56.72 1htd s TYR 7 Cb -0.03 -0.66 0.01 0.00 -0.40 0.00 0.00 41.96 40.88 1htd s TYR 7 CO 0.11 -0.21 0.06 0.42 -1.57 0.00 0.00 175.55 174.36 1htd s ILE 8 N 1.09 3.83 -0.58 2.71 1.01 0.08 -4.35 121.20 124.98 1htd s ILE 8 Ca -0.08 -0.69 -0.22 0.00 0.00 0.00 0.00 60.65 59.66 1htd s ILE 8 Cb -0.14 -2.95 0.06 0.00 0.01 0.00 0.00 42.46 39.45 1htd s ILE 8 CO -0.01 0.13 0.85 -1.61 0.00 0.00 0.00 174.94 174.30 1htd s GLU 9 N 1.48 3.17 -0.13 2.79 2.02 -1.26 -0.32 118.70 126.45 1htd s GLU 9 Ca 0.03 -0.72 -0.07 0.00 0.02 0.00 0.00 54.97 54.23 1htd s GLU 9 Cb -0.17 -4.15 -0.04 0.00 0.10 0.00 0.00 34.13 29.87 1htd s GLU 9 CO 0.01 -1.55 0.12 -1.17 0.02 0.00 0.00 175.26 172.69 1htd s LEU 10 N 3.57 4.26 -0.16 1.80 2.96 0.65 -0.45 118.68 131.31 1htd s LEU 10 Ca 0.22 0.38 0.01 0.00 -0.22 0.00 0.00 54.13 54.52 1htd s LEU 10 Cb -0.17 -2.05 0.01 0.00 0.50 0.00 0.00 46.19 44.48 1htd s LEU 10 CO 0.13 0.36 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.65 1htd s VAL 11 N -0.71 2.41 -0.16 1.68 1.01 -0.22 0.13 120.40 124.53 1htd s VAL 11 Ca 0.13 -0.85 -0.07 0.00 0.00 0.00 0.00 61.98 61.19 1htd s VAL 11 Cb -0.12 -2.01 -0.04 0.00 0.00 0.00 0.00 36.38 34.22 1htd s VAL 11 CO 0.03 0.53 0.08 -0.69 0.00 0.00 0.00 175.10 175.04 1htd s VAL 12 N 0.92 4.93 -0.22 2.92 1.01 -0.62 -1.75 120.40 127.60 1htd s VAL 12 Ca -0.04 0.01 0.01 0.00 0.00 0.00 0.00 61.98 61.97 1htd s VAL 12 Cb -0.15 -3.19 0.04 0.00 0.00 0.00 0.00 36.38 33.07 1htd s VAL 12 CO -0.03 0.51 -0.14 -0.69 0.00 0.00 0.00 175.10 174.75 1htd s VAL 13 N -0.06 2.26 -0.12 2.92 1.01 -0.48 -1.33 120.40 124.59 1htd s VAL 13 Ca 0.07 -1.23 -0.15 0.00 0.00 0.00 0.00 61.98 60.68 1htd s VAL 13 Cb -0.12 -2.14 -0.05 0.00 0.00 0.00 0.00 36.38 34.08 1htd s VAL 13 CO 0.01 0.25 0.35 0.00 0.00 0.00 0.00 175.10 175.71 1htd s ALA 14 N 1.22 3.59 1.03 5.51 0.00 -0.05 -0.52 121.76 132.54 1htd s ALA 14 Ca -0.01 -0.35 -0.11 0.00 0.00 0.00 0.00 51.96 51.48 1htd s ALA 14 Cb -0.16 -2.44 0.16 0.00 0.00 0.00 0.00 23.12 20.67 1htd s ALA 14 CO -0.08 0.14 0.86 -0.40 0.00 0.00 0.00 175.76 176.28 1htd n ASP 15 N 3.28 -0.22 0.06 0.00 5.68 -0.75 -1.46 116.55 123.15 1htd n ASP 15 Ca -0.11 -1.26 -0.06 0.00 -0.50 0.00 0.00 54.79 52.86 1htd n ASP 15 Cb 0.52 -0.67 0.11 0.00 -1.14 0.00 0.00 41.12 39.94 1htd n ASP 15 CO 0.00 0.00 0.00 -0.74 -1.33 0.00 0.00 177.20 175.13 1htd h HIS 16 N -1.64 0.41 -0.58 2.11 -0.00 -1.90 -2.61 115.15 110.93 1htd h HIS 16 Ca -0.28 -0.15 -0.02 0.00 -0.00 0.00 0.00 60.37 59.92 1htd h HIS 16 Cb 0.79 -0.08 -0.03 0.00 -0.00 0.00 0.00 27.41 28.10 1htd h HIS 16 CO 0.00 0.83 0.29 -0.09 -0.00 0.00 0.00 177.93 178.96 1htd h ARG 17 N 0.25 0.81 -0.01 5.26 9.65 -1.94 -2.39 114.38 126.00 1htd h ARG 17 Ca -0.00 -0.09 -0.01 0.00 -1.10 0.00 0.00 59.98 58.78 1htd h ARG 17 Cb 1.09 -0.16 -0.00 0.00 -1.39 0.00 0.00 29.97 29.51 1htd h ARG 17 CO 0.09 0.62 -0.02 0.28 2.80 0.00 0.00 179.97 183.74 1htd h VAL 18 N 0.81 1.43 -0.69 0.20 2.07 -1.85 -1.45 116.25 116.78 1htd h VAL 18 Ca 0.21 -1.30 0.14 0.00 0.82 0.00 0.00 66.70 66.57 1htd h VAL 18 Cb 0.06 2.28 -0.13 0.00 -1.52 0.00 0.00 31.29 31.98 1htd h VAL 18 CO -0.03 0.34 -0.14 0.15 0.02 0.00 0.00 177.57 177.91 1htd h PHE 19 N -0.49 -0.30 -0.15 1.57 3.57 -1.31 -1.15 116.94 118.68 1htd h PHE 19 Ca 0.00 0.06 -0.04 0.00 3.53 0.00 0.00 57.97 61.52 1htd h PHE 19 Cb 0.57 0.24 -0.00 0.00 2.79 0.00 0.00 35.95 39.54 1htd h PHE 19 CO 0.11 -0.28 -0.07 0.52 -2.23 0.00 0.00 178.31 176.37 1htd h MET 20 N 0.02 0.31 -1.04 1.11 2.86 -1.47 0.25 114.93 116.97 1htd h MET 20 Ca 0.34 -0.13 0.27 0.00 -2.06 0.00 0.00 59.70 58.12 1htd h MET 20 Cb 0.53 -0.01 -0.11 0.00 0.06 0.00 0.00 31.60 32.07 1htd h MET 20 CO -0.69 0.63 0.65 -0.22 1.06 0.00 0.00 176.91 178.34 1htd h LYS 21 N -0.01 0.42 -0.88 1.72 3.64 -0.10 0.33 116.57 121.68 1htd h LYS 21 Ca 0.03 -0.03 -0.30 0.00 -1.27 0.00 0.00 60.65 59.09 1htd h LYS 21 Cb 0.53 -0.09 -0.18 0.00 -0.41 0.00 0.00 32.23 32.07 1htd h LYS 21 CO 0.02 0.28 0.38 0.66 -2.27 0.00 0.00 179.45 178.52 1htd n TYR 22 N -4.74 2.36 -2.17 1.91 4.01 -0.73 -4.89 117.16 112.91 1htd n TYR 22 Ca 0.27 -1.32 -0.15 0.00 -0.16 0.00 0.00 57.90 56.54 1htd n TYR 22 Cb 0.88 -0.72 -0.02 0.00 -0.31 0.00 0.00 39.34 39.17 1htd n TYR 22 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1htd n ASN 23 N -0.44 -4.61 -0.30 7.72 5.03 0.12 -2.41 115.26 120.37 1htd n ASN 23 Ca 0.42 0.04 -0.04 0.00 0.87 0.00 0.00 54.58 55.87 1htd n ASN 23 Cb 1.36 -3.71 -0.02 0.00 -1.02 0.00 0.00 39.78 36.40 1htd n ASN 23 CO 0.00 0.00 0.00 -1.20 -1.83 0.00 0.00 177.26 174.23 1htd n SER 24 N -0.83 -4.86 -4.45 6.41 7.64 0.89 -4.94 113.62 113.48 1htd n SER 24 Ca -0.18 0.10 -0.44 0.00 1.01 0.00 0.00 58.87 59.37 1htd n SER 24 Cb 0.62 -2.70 -0.03 0.00 -1.01 0.00 0.00 64.21 61.09 1htd n SER 24 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1htd s ASP 25 N -2.25 6.42 0.31 6.43 2.15 -1.01 -4.92 116.67 123.80 1htd s ASP 25 Ca 0.00 -1.59 0.07 0.00 0.43 0.00 0.00 52.55 51.46 1htd s ASP 25 Cb 0.00 -2.40 0.79 0.00 -0.30 0.00 0.00 42.92 41.01 1htd s ASP 25 CO 0.00 -1.22 1.75 -0.07 -0.17 0.00 0.00 175.17 175.46 1htd h LEU 26 N 10.79 0.73 -0.94 -1.34 4.07 -1.92 -1.00 115.31 125.70 1htd h LEU 26 Ca -0.04 0.11 -0.09 0.00 0.08 0.00 0.00 57.88 57.94 1htd h LEU 26 Cb 1.05 -0.01 -0.01 0.00 1.08 0.00 0.00 40.66 42.76 1htd h LEU 26 CO 1.14 0.20 -0.24 -1.13 -1.08 0.00 0.00 178.44 177.33 1htd h ASN 27 N 0.68 0.49 -0.48 -0.43 -0.73 -1.98 -1.38 115.58 111.76 1htd h ASN 27 Ca 0.60 -0.16 -0.03 0.00 1.87 0.00 0.00 56.30 58.58 1htd h ASN 27 Cb 1.03 -0.13 -0.02 0.00 0.27 0.00 0.00 38.32 39.46 1htd h ASN 27 CO -0.42 0.73 0.20 0.74 -0.37 0.00 0.00 177.43 178.31 1htd h THR 28 N 0.44 1.21 -0.50 -3.57 2.02 -1.55 0.23 112.91 111.19 1htd h THR 28 Ca 0.07 -0.64 -0.04 0.00 0.77 0.00 0.00 66.41 66.57 1htd h THR 28 Cb 0.66 0.73 -0.02 0.00 -1.74 0.00 0.00 68.15 67.78 1htd h THR 28 CO 0.05 0.24 0.15 0.40 0.37 0.00 0.00 175.52 176.73 1htd h ILE 29 N 0.64 1.23 -0.66 3.11 2.04 -1.37 -2.55 117.51 119.95 1htd h ILE 29 Ca 0.16 -0.77 -0.01 0.00 1.00 0.00 0.00 64.86 65.25 1htd h ILE 29 Cb 0.19 0.79 -0.03 0.00 -0.74 0.00 0.00 36.82 37.03 1htd h ILE 29 CO -0.01 0.28 0.39 0.03 0.00 0.00 0.00 178.15 178.83 1htd h ARG 30 N 0.67 0.91 -0.57 2.37 3.08 -0.82 -2.21 114.38 117.81 1htd h ARG 30 Ca 0.16 -0.09 -0.03 0.00 0.07 0.00 0.00 59.98 60.09 1htd h ARG 30 Cb 0.27 -0.19 -0.03 0.00 0.08 0.00 0.00 29.97 30.11 1htd h ARG 30 CO -0.00 0.66 0.24 1.15 -1.07 0.00 0.00 179.97 180.95 1htd h THR 31 N 0.90 1.22 -0.10 2.04 2.02 -0.81 -1.18 112.91 117.01 1htd h THR 31 Ca 0.24 -0.67 0.01 0.00 0.77 0.00 0.00 66.41 66.76 1htd h THR 31 Cb -0.00 0.60 -0.01 0.00 -1.74 0.00 0.00 68.15 66.99 1htd h THR 31 CO -0.04 0.26 0.00 0.03 0.37 0.00 0.00 175.52 176.14 1htd h ARG 32 N 0.78 0.04 -0.65 6.66 3.08 -1.22 -0.50 114.38 122.57 1htd h ARG 32 Ca 0.19 -0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.25 1htd h ARG 32 Cb 0.18 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.19 1htd h ARG 32 CO -0.02 0.02 0.43 0.28 -1.07 0.00 0.00 179.97 179.61 1htd h VAL 33 N 0.04 1.16 -0.78 2.04 2.07 -1.24 0.11 116.25 119.65 1htd h VAL 33 Ca 0.04 -0.30 -0.04 0.00 0.82 0.00 0.00 66.70 67.22 1htd h VAL 33 Cb 0.05 0.21 -0.04 0.00 -1.52 0.00 0.00 31.29 30.00 1htd h VAL 33 CO -0.07 0.16 0.33 0.45 0.02 0.00 0.00 177.57 178.45 1htd h HIS 34 N 0.87 1.16 0.18 1.57 3.86 -0.96 -1.02 115.15 120.83 1htd h HIS 34 Ca 0.24 -0.08 -0.01 0.00 -1.16 0.00 0.00 60.37 59.36 1htd h HIS 34 Cb -0.09 -0.35 0.00 0.00 1.06 0.00 0.00 27.41 28.03 1htd h HIS 34 CO -0.03 0.87 -0.09 0.93 0.86 0.00 0.00 177.93 180.47 1htd h GLU 35 N 1.13 -0.24 -0.56 2.45 4.39 -0.44 -2.73 114.58 118.58 1htd h GLU 35 Ca 0.26 0.02 0.06 0.00 0.34 0.00 0.00 59.36 60.04 1htd h GLU 35 Cb 0.19 0.05 -0.05 0.00 -0.10 0.00 0.00 28.75 28.84 1htd h GLU 35 CO -0.02 -0.13 0.27 0.82 -1.16 0.00 0.00 179.01 178.78 1htd h ILE 36 N -0.28 0.90 -0.72 3.13 2.04 -0.57 -2.27 117.51 119.74 1htd h ILE 36 Ca -0.03 -0.17 0.02 0.00 1.00 0.00 0.00 64.86 65.68 1htd h ILE 36 Cb 0.22 0.36 -0.04 0.00 -0.74 0.00 0.00 36.82 36.62 1htd h ILE 36 CO 0.04 0.09 0.48 0.58 0.00 0.00 0.00 178.15 179.34 1htd h VAL 37 N 0.50 1.15 -0.72 1.67 2.07 -1.04 -1.18 116.25 118.71 1htd h VAL 37 Ca 0.26 -0.32 -0.01 0.00 0.82 0.00 0.00 66.70 67.45 1htd h VAL 37 Cb 0.21 0.13 -0.03 0.00 -1.52 0.00 0.00 31.29 30.08 1htd h VAL 37 CO -0.20 0.17 0.42 0.78 0.02 0.00 0.00 177.57 178.76 1htd h ASN 38 N 0.93 0.87 -0.37 0.57 -0.26 -1.10 -1.51 115.58 114.71 1htd h ASN 38 Ca 0.28 -0.07 -0.02 0.00 -0.56 0.00 0.00 56.30 55.92 1htd h ASN 38 Cb -0.04 -0.22 -0.02 0.00 -1.06 0.00 0.00 38.32 36.99 1htd h ASN 38 CO -0.07 0.68 0.14 -0.26 -1.06 0.00 0.00 177.43 176.86 1htd h PHE 39 N 0.98 0.57 -0.47 1.19 0.04 -1.15 -2.40 116.94 115.69 1htd h PHE 39 Ca 0.26 -0.05 0.08 0.00 2.80 0.00 0.00 57.97 61.06 1htd h PHE 39 Cb -0.02 -0.17 -0.07 0.00 2.20 0.00 0.00 35.95 37.89 1htd h PHE 39 CO -0.01 0.53 0.06 0.82 -0.60 0.00 0.00 178.31 179.10 1htd h ILE 40 N 0.44 0.69 0.00 -0.55 2.04 -0.75 -0.94 117.51 118.45 1htd h ILE 40 Ca 0.12 -0.06 -0.03 0.00 1.00 0.00 0.00 64.86 65.89 1htd h ILE 40 Cb 0.21 0.50 -0.00 0.00 -0.74 0.00 0.00 36.82 36.78 1htd h ILE 40 CO -0.01 0.03 -0.13 0.78 0.00 0.00 0.00 178.15 178.82 1htd h ASN 41 N 0.18 0.00 -0.14 1.72 -0.26 -1.16 -1.26 115.58 114.66 1htd h ASN 41 Ca 0.24 0.00 -0.08 0.00 -0.56 0.00 0.00 56.30 55.90 1htd h ASN 41 Cb 0.33 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 37.59 1htd h ASN 41 CO -0.35 0.13 -0.22 1.23 -1.06 0.00 0.00 177.43 177.16 1htd h GLY 42 N 0.45 0.44 1.14 2.83 0.00 -0.68 -2.21 103.07 105.05 1htd h GLY 42 Ca -0.00 -0.50 -0.07 0.00 0.00 0.00 0.00 47.33 46.76 1htd h GLY 42 CO 0.02 0.45 0.13 0.74 0.00 0.00 0.00 176.54 177.88 1htd h PHE 43 N 0.02 1.12 -0.00 5.60 0.04 -0.99 -2.81 116.94 119.92 1htd h PHE 43 Ca 0.01 -0.14 0.00 0.00 2.80 0.00 0.00 57.97 60.64 1htd h PHE 43 Cb 0.80 -0.31 0.00 0.00 2.20 0.00 0.00 35.95 38.63 1htd h PHE 43 CO 0.10 0.93 -0.03 0.66 -0.60 0.00 0.00 178.31 179.36 1htd n TYR 44 N -4.23 0.00 -0.35 -0.55 4.01 -0.51 -4.17 117.16 111.37 1htd n TYR 44 Ca 0.05 0.00 0.05 0.00 -0.16 0.00 0.00 57.90 57.83 1htd n TYR 44 Cb 0.27 -0.21 0.22 0.00 -0.31 0.00 0.00 39.34 39.31 1htd n TYR 44 CO 0.00 0.00 0.00 -0.09 -0.46 0.00 0.00 176.86 176.31 1htd h ARG 45 N 0.17 1.04 0.00 -0.72 2.43 -1.12 -1.30 114.38 114.88 1htd h ARG 45 Ca 0.00 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 1htd h ARG 45 Cb 0.26 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 29.58 1htd h ARG 45 CO 0.00 0.69 0.00 -1.13 -1.51 0.00 0.00 179.97 178.02 1htd n SER 46 N -4.54 0.74 -0.72 -3.80 3.41 -1.26 -2.50 113.62 104.96 1htd n SER 46 Ca 0.16 0.65 0.13 0.00 -0.26 0.00 0.00 58.87 59.55 1htd n SER 46 Cb 0.25 -0.82 0.24 0.00 -0.26 0.00 0.00 64.21 63.62 1htd n SER 46 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1htd n LEU 47 N -2.28 2.31 -2.44 1.04 4.32 -0.50 -4.96 117.00 114.49 1htd n LEU 47 Ca 0.03 -0.77 -0.18 0.00 -0.02 0.00 0.00 56.01 55.06 1htd n LEU 47 Cb 0.28 -0.01 0.03 0.00 -1.62 0.00 0.00 43.42 42.10 1htd n LEU 47 CO 0.22 0.39 -0.01 0.59 -1.22 0.00 0.00 177.39 177.37 1htd n ASN 48 N 0.72 -5.24 -4.38 -1.43 4.13 -1.04 -4.79 115.26 103.23 1htd n ASN 48 Ca 0.15 -0.22 -0.32 0.00 1.68 0.00 0.00 54.58 55.87 1htd n ASN 48 Cb 0.50 -4.09 -0.15 0.00 -1.54 0.00 0.00 39.78 34.50 1htd n ASN 48 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1htd s ILE 49 N -3.04 2.65 -0.19 2.41 1.01 -1.17 -0.99 121.20 121.87 1htd s ILE 49 Ca 0.23 -0.86 0.01 0.00 0.00 0.00 0.00 60.65 60.03 1htd s ILE 49 Cb -0.10 -2.02 0.02 0.00 0.01 0.00 0.00 42.46 40.37 1htd s ILE 49 CO 0.29 0.57 -0.18 -2.28 0.00 0.00 0.00 174.94 173.34 1htd s HIS 50 N -0.41 2.81 -0.18 3.97 5.65 -0.25 -4.43 115.29 122.44 1htd s HIS 50 Ca 0.04 -1.61 -0.18 0.00 0.25 0.00 0.00 55.06 53.57 1htd s HIS 50 Cb -0.12 -1.94 -0.04 0.00 -1.18 0.00 0.00 32.58 29.31 1htd s HIS 50 CO 0.02 -0.79 0.48 0.08 -0.65 0.00 0.00 174.74 173.88 1htd s VAL 51 N 1.30 5.14 -0.18 0.89 1.01 -1.26 -0.74 120.40 126.56 1htd s VAL 51 Ca 0.05 0.90 -0.02 0.00 0.00 0.00 0.00 61.98 62.91 1htd s VAL 51 Cb -0.13 -3.81 -0.01 0.00 0.00 0.00 0.00 36.38 32.43 1htd s VAL 51 CO -0.12 0.22 -0.10 -0.44 0.00 0.00 0.00 175.10 174.66 1htd s SER 52 N 1.03 3.99 -0.99 3.32 0.01 0.56 -4.94 113.70 116.67 1htd s SER 52 Ca 0.23 -0.41 -0.23 0.00 1.31 0.00 0.00 55.95 56.85 1htd s SER 52 Cb -0.15 -1.65 0.02 0.00 0.21 0.00 0.00 66.02 64.45 1htd s SER 52 CO 0.09 0.05 1.61 -0.22 0.41 0.00 0.00 173.24 175.19 1htd s LEU 53 N 1.02 3.40 0.25 2.44 1.98 -1.26 -0.25 118.68 126.26 1htd s LEU 53 Ca -0.01 -1.24 -0.04 0.00 -2.89 0.00 0.00 54.13 49.95 1htd s LEU 53 Cb -0.15 -2.57 0.28 0.00 0.66 0.00 0.00 46.19 44.41 1htd s LEU 53 CO -0.02 -1.89 1.79 0.74 -1.89 0.00 0.00 176.35 175.08 1htd h THR 54 N 6.91 1.24 -1.48 3.68 2.02 -0.64 -3.47 112.91 121.18 1htd h THR 54 Ca 0.17 -0.87 0.10 0.00 0.77 0.00 0.00 66.41 66.59 1htd h THR 54 Cb 1.00 0.57 -0.26 0.00 -1.74 0.00 0.00 68.15 67.72 1htd h THR 54 CO 1.36 0.33 0.58 -0.62 0.37 0.00 0.00 175.52 177.55 1htd s ASP 55 N -6.51 -0.34 -0.10 4.18 2.15 -1.17 -5.01 116.67 109.87 1htd s ASP 55 Ca -0.11 0.52 0.02 0.00 0.43 0.00 0.00 52.55 53.41 1htd s ASP 55 Cb 0.15 0.48 -0.01 0.00 -0.30 0.00 0.00 42.92 43.24 1htd s ASP 55 CO 0.82 -0.21 -0.18 -0.22 -0.17 0.00 0.00 175.17 175.21 1htd s LEU 56 N -0.46 2.42 -0.18 -1.34 2.96 -1.26 -1.58 118.68 119.23 1htd s LEU 56 Ca 0.02 -0.42 0.01 0.00 -0.22 0.00 0.00 54.13 53.52 1htd s LEU 56 Cb -0.03 -1.51 0.02 0.00 0.50 0.00 0.00 46.19 45.17 1htd s LEU 56 CO -0.04 0.19 -0.19 -1.61 -1.32 0.00 0.00 176.35 173.38 1htd s GLU 57 N 0.20 3.01 -0.24 1.98 2.02 -0.44 -4.99 118.70 120.24 1htd s GLU 57 Ca -0.11 -0.82 -0.07 0.00 0.02 0.00 0.00 54.97 53.99 1htd s GLU 57 Cb -0.16 -2.61 -0.03 0.00 0.10 0.00 0.00 34.13 31.43 1htd s GLU 57 CO 0.06 -0.21 0.05 0.42 0.02 0.00 0.00 175.26 175.60 1htd s ILE 58 N 1.30 4.17 -1.49 -1.63 1.01 -1.26 -0.87 121.20 122.44 1htd s ILE 58 Ca 0.05 -0.22 -0.13 0.00 0.00 0.00 0.00 60.65 60.35 1htd s ILE 58 Cb -0.13 -2.94 -0.01 0.00 0.01 0.00 0.00 42.46 39.39 1htd s ILE 58 CO -0.12 0.35 2.44 0.79 0.00 0.00 0.00 174.94 178.41 1htd n TRP 59 N 4.89 3.13 0.24 3.97 8.01 -0.53 -4.71 117.44 132.44 1htd n TRP 59 Ca -0.16 -2.97 0.12 0.00 -1.31 0.00 0.00 57.50 53.17 1htd n TRP 59 Cb 0.51 -2.51 0.60 0.00 -2.01 0.00 0.00 31.31 27.91 1htd n TRP 59 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.69 177.34 1htd h SER 60 N 5.75 0.00 0.00 -0.99 4.64 -1.87 -3.29 113.55 117.79 1htd h SER 60 Ca 0.66 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.98 1htd h SER 60 Cb 0.53 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 1htd h SER 60 CO 1.86 0.17 -0.29 -1.13 -0.87 0.00 0.00 176.83 176.56 1htd h ASN 61 N 0.00 0.00 -5.00 4.97 -1.24 -1.99 -3.50 115.58 108.82 1htd h ASN 61 Ca -0.00 0.00 0.02 0.00 0.71 0.00 0.00 56.30 57.03 1htd h ASN 61 Cb 0.55 0.00 -0.09 0.00 0.73 0.00 0.00 38.32 39.51 1htd h ASN 61 CO 0.02 0.52 0.22 -1.83 -1.29 0.00 0.00 177.43 175.07 1htd s GLU 62 N -1.81 1.49 0.17 6.67 -1.05 -1.25 -5.07 118.70 117.85 1htd s GLU 62 Ca -0.08 -0.69 -0.30 0.00 -0.15 0.00 0.00 54.97 53.74 1htd s GLU 62 Cb 0.01 0.60 -0.08 0.00 -0.44 0.00 0.00 34.13 34.22 1htd s GLU 62 CO 0.12 -0.67 1.23 -0.51 0.95 0.00 0.00 175.26 176.38 1htd s ASP 63 N -2.82 7.04 0.00 0.83 1.01 -1.26 -4.82 116.67 116.65 1htd s ASP 63 Ca 0.05 2.24 0.29 0.00 0.71 0.00 0.00 52.55 55.84 1htd s ASP 63 Cb -0.03 -2.60 1.29 0.00 1.01 0.00 0.00 42.92 42.58 1htd s ASP 63 CO -0.04 -0.43 1.93 0.00 0.21 0.00 0.00 175.17 176.84 1htd n GLN 64 N 2.79 0.23 -4.19 8.23 1.13 -1.26 -4.83 117.38 119.48 1htd n GLN 64 Ca 0.06 -0.02 -0.13 0.00 -1.94 0.00 0.00 57.00 54.96 1htd n GLN 64 Cb 0.44 -1.50 -0.09 0.00 0.11 0.00 0.00 30.24 29.20 1htd n GLN 64 CO 0.00 0.00 0.00 0.96 -1.44 0.00 0.00 177.06 176.58 1htd s ILE 65 N -2.79 0.00 -0.59 5.09 -4.36 -1.26 -5.08 121.20 112.21 1htd s ILE 65 Ca 0.21 -1.93 -0.20 0.00 -0.26 0.00 0.00 60.65 58.46 1htd s ILE 65 Cb 0.19 -2.48 0.08 0.00 1.25 0.00 0.00 42.46 41.50 1htd s ILE 65 CO 0.51 0.00 0.78 0.21 0.24 0.00 0.00 174.94 176.68 1htd s ASN 66 N -3.19 6.20 -0.20 4.36 3.04 -1.26 -5.01 114.94 118.88 1htd s ASN 66 Ca 0.38 -1.11 -0.29 0.00 0.04 0.00 0.00 52.86 51.87 1htd s ASN 66 Cb 0.05 -2.34 0.00 0.00 -1.54 0.00 0.00 41.25 37.42 1htd s ASN 66 CO 0.15 -1.16 1.08 -0.63 -3.04 0.00 0.00 177.10 173.49 1htd s ILE 67 N 3.14 4.62 0.19 -5.21 -1.09 -1.26 -4.72 121.20 116.87 1htd s ILE 67 Ca 0.17 1.94 0.08 0.00 -2.23 0.00 0.00 60.65 60.61 1htd s ILE 67 Cb -0.20 -4.25 -0.04 0.00 -1.58 0.00 0.00 42.46 36.38 1htd s ILE 67 CO 0.10 -0.14 -0.16 -1.10 -1.23 0.00 0.00 174.94 172.40 1htd s GLN 68 N 3.05 1.30 0.43 2.79 -0.21 -1.26 -5.05 119.66 120.71 1htd s GLN 68 Ca 0.47 -1.51 0.22 0.00 0.02 0.00 0.00 55.36 54.56 1htd s GLN 68 Cb -0.17 -1.20 0.95 0.00 1.00 0.00 0.00 33.01 33.59 1htd s GLN 68 CO 0.10 0.22 1.85 0.66 -2.12 0.00 0.00 175.29 176.00 1htd h SER 69 N 2.85 0.00 -1.90 5.90 4.64 -1.96 -3.39 113.55 119.69 1htd h SER 69 Ca -0.40 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 60.42 1htd h SER 69 Cb 1.22 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.25 1htd h SER 69 CO 0.57 0.26 1.19 0.00 -0.87 0.00 0.00 176.83 177.99 1htd s ALA 70 N -3.81 2.37 0.39 5.18 0.00 -1.26 -1.35 121.76 123.29 1htd s ALA 70 Ca -0.01 -1.15 0.17 0.00 0.00 0.00 0.00 51.96 50.97 1htd s ALA 70 Cb 0.11 -4.34 1.07 0.00 0.00 0.00 0.00 23.12 19.96 1htd s ALA 70 CO 0.65 -3.75 1.77 0.66 0.00 0.00 0.00 175.76 175.08 1htd h SER 71 N 12.30 0.48 0.39 0.00 4.64 -1.97 -0.76 113.55 128.64 1htd h SER 71 Ca -0.19 0.09 -0.11 0.00 -0.47 0.00 0.00 61.79 61.11 1htd h SER 71 Cb 1.09 0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 63.18 1htd h SER 71 CO 1.26 0.10 -0.48 0.28 -0.87 0.00 0.00 176.83 177.12 1htd h SER 72 N 0.43 0.11 -0.16 4.97 0.02 -1.93 0.65 113.55 117.64 1htd h SER 72 Ca 0.60 -0.05 -0.10 0.00 -0.84 0.00 0.00 61.79 61.40 1htd h SER 72 Cb 1.45 -0.03 -0.00 0.00 0.14 0.00 0.00 62.40 63.96 1htd h SER 72 CO -0.32 0.57 -0.27 0.44 -1.14 0.00 0.00 176.83 176.12 1htd h ASP 73 N 0.09 0.52 -0.39 3.07 3.32 -1.53 -3.04 116.42 118.46 1htd h ASP 73 Ca 0.00 -0.53 -0.01 0.00 0.02 0.00 0.00 57.03 56.51 1htd h ASP 73 Cb 0.88 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 40.26 1htd h ASP 73 CO 0.07 0.96 0.22 0.74 -1.72 0.00 0.00 179.24 179.51 1htd h THR 74 N 0.11 1.14 -0.68 0.35 2.02 -1.27 -2.17 112.91 112.41 1htd h THR 74 Ca 0.01 -0.35 0.08 0.00 0.77 0.00 0.00 66.41 66.93 1htd h THR 74 Cb 0.85 0.66 -0.07 0.00 -1.74 0.00 0.00 68.15 67.86 1htd h THR 74 CO 0.06 0.14 0.34 0.25 0.37 0.00 0.00 175.52 176.69 1htd h LEU 75 N 0.51 0.45 -0.49 2.58 5.85 -0.87 0.31 115.31 123.64 1htd h LEU 75 Ca 0.14 0.06 -0.16 0.00 0.84 0.00 0.00 57.88 58.76 1htd h LEU 75 Cb 0.03 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 1htd h LEU 75 CO -0.02 0.27 -0.46 0.78 -0.34 0.00 0.00 178.44 178.66 1htd h ASN 76 N 0.59 0.78 -0.56 1.25 -0.26 -1.41 0.42 115.58 116.40 1htd h ASN 76 Ca 0.33 -0.38 0.02 0.00 -0.56 0.00 0.00 56.30 55.71 1htd h ASN 76 Cb 0.33 -0.22 -0.03 0.00 -1.06 0.00 0.00 38.32 37.34 1htd h ASN 76 CO -0.25 1.12 0.37 0.00 -1.06 0.00 0.00 177.43 177.61 1htd h ALA 77 N 0.90 1.64 0.03 -0.83 0.00 -0.64 -0.57 119.26 119.80 1htd h ALA 77 Ca 0.03 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.75 1htd h ALA 77 Cb 1.02 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 18.62 1htd h ALA 77 CO 0.10 0.32 -0.63 0.35 0.00 0.00 0.00 179.25 179.38 1htd h PHE 78 N 0.72 0.59 -0.59 0.00 3.57 -0.67 -3.10 116.94 117.45 1htd h PHE 78 Ca 0.21 -0.34 0.05 0.00 3.53 0.00 0.00 57.97 61.42 1htd h PHE 78 Cb -0.02 -0.06 -0.05 0.00 2.79 0.00 0.00 35.95 38.61 1htd h PHE 78 CO -0.00 1.17 0.32 0.00 -2.23 0.00 0.00 178.31 177.57 1htd h ALA 79 N 0.27 0.78 -0.84 2.41 0.00 -0.34 0.22 119.26 121.76 1htd h ALA 79 Ca -0.09 0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.85 1htd h ALA 79 Cb 1.37 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 19.01 1htd h ALA 79 CO 0.12 -0.01 0.56 0.93 0.00 0.00 0.00 179.25 180.85 1htd h GLU 80 N 0.61 1.09 -0.17 0.00 4.39 -1.23 -2.77 114.58 116.50 1htd h GLU 80 Ca 0.26 -0.07 -0.10 0.00 0.34 0.00 0.00 59.36 59.80 1htd h GLU 80 Cb 0.15 -0.25 -0.00 0.00 -0.10 0.00 0.00 28.75 28.56 1htd h GLU 80 CO -0.17 0.72 -0.27 2.35 -1.16 0.00 0.00 179.01 180.49 1htd h TRP 81 N 1.13 0.60 -0.86 4.33 7.01 -1.25 -2.09 115.95 124.80 1htd h TRP 81 Ca 0.31 -0.20 0.04 0.00 2.11 0.00 0.00 58.89 61.15 1htd h TRP 81 Cb -0.11 -0.12 -0.05 0.00 -2.10 0.00 0.00 29.16 26.78 1htd h TRP 81 CO -0.01 0.90 0.56 -0.09 -2.79 0.00 0.00 178.44 177.00 1htd h ARG 82 N 0.12 1.04 0.44 2.65 1.12 -0.51 0.29 114.38 119.54 1htd h ARG 82 Ca 0.02 -0.06 -0.02 0.00 -1.11 0.00 0.00 59.98 58.80 1htd h ARG 82 Cb 0.84 -0.24 0.00 0.00 -0.01 0.00 0.00 29.97 30.57 1htd h ARG 82 CO 0.06 0.69 -0.21 1.49 -3.11 0.00 0.00 179.97 178.89 1htd h GLU 83 N 1.07 -0.58 0.00 0.20 4.81 -1.53 0.41 114.58 118.97 1htd h GLU 83 Ca 0.35 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.62 1htd h GLU 83 Cb 0.02 0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.53 1htd h GLU 83 CO -0.12 -0.38 0.00 0.25 -0.73 0.00 0.00 179.01 178.02 1htd n THR 84 N -5.17 0.73 0.00 0.32 -2.24 -0.79 -3.78 114.28 103.36 1htd n THR 84 Ca -0.07 0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 1htd n THR 84 Cb 0.24 -0.94 0.00 0.00 -2.10 0.00 0.00 70.33 67.53 1htd n THR 84 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1htd n ASP 85 N -2.03 0.00 0.06 3.42 -0.08 0.10 -4.70 116.55 113.32 1htd n ASP 85 Ca 0.04 0.00 -0.12 0.00 -1.51 0.00 0.00 54.79 53.20 1htd n ASP 85 Cb 0.27 0.00 -0.06 0.00 2.34 0.00 0.00 41.12 43.67 1htd n ASP 85 CO 0.00 0.00 0.00 0.25 0.12 0.00 0.00 177.20 177.57 1htd h LEU 86 N 0.00 -0.21 -2.01 -2.67 5.85 -1.37 -2.19 115.31 112.71 1htd h LEU 86 Ca 0.00 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 1htd h LEU 86 Cb 0.00 0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.11 1htd h LEU 86 CO 0.00 -0.12 -0.07 0.25 -0.34 0.00 0.00 178.44 178.17 1htd h LEU 87 N -0.15 0.00 -1.00 2.25 5.85 -0.31 0.14 115.31 122.08 1htd h LEU 87 Ca 0.02 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.68 1htd h LEU 87 Cb 0.17 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.19 1htd h LEU 87 CO -0.05 0.07 -0.25 -1.13 -0.34 0.00 0.00 178.44 176.73 1htd h ASN 88 N 0.00 0.00 0.06 1.25 -1.24 -1.50 -3.29 115.58 110.86 1htd h ASN 88 Ca -0.00 0.00 -0.36 0.00 0.71 0.00 0.00 56.30 56.64 1htd h ASN 88 Cb 0.14 0.00 -0.04 0.00 0.73 0.00 0.00 38.32 39.15 1htd h ASN 88 CO 0.01 0.25 -2.10 0.54 -1.29 0.00 0.00 177.43 174.85 1htd n ARG 89 N -3.39 0.68 -4.06 6.67 1.74 -0.27 -5.00 116.66 113.03 1htd n ARG 89 Ca 0.00 0.27 -0.14 0.00 -0.77 0.00 0.00 57.85 57.21 1htd n ARG 89 Cb 0.46 -1.64 -0.14 0.00 -1.02 0.00 0.00 32.46 30.12 1htd n ARG 89 CO 0.00 0.00 0.00 -1.59 -1.52 0.00 0.00 177.63 174.52 1htd s LYS 90 N -2.51 0.29 -0.16 5.56 -2.85 0.31 -5.12 119.74 115.27 1htd s LYS 90 Ca -0.29 -0.16 -0.29 0.00 -1.00 0.00 0.00 55.97 54.23 1htd s LYS 90 Cb 0.08 -0.26 -0.01 0.00 -2.06 0.00 0.00 37.83 35.58 1htd s LYS 90 CO 0.66 0.07 1.10 0.45 0.10 0.00 0.00 175.35 177.74 1htd s SER 91 N -0.18 7.10 0.07 0.03 0.15 -1.26 -4.24 113.70 115.37 1htd s SER 91 Ca 0.00 1.55 -0.22 0.00 0.70 0.00 0.00 55.95 57.99 1htd s SER 91 Cb -0.02 -2.55 0.05 0.00 -1.71 0.00 0.00 66.02 61.80 1htd s SER 91 CO -0.00 -0.62 0.51 -1.38 1.20 0.00 0.00 173.24 172.95 1htd s HIS 92 N 2.80 -0.41 -0.01 3.44 -0.00 -1.26 -5.06 115.29 114.79 1htd s HIS 92 Ca 0.49 0.37 0.08 0.00 -0.00 0.00 0.00 55.06 56.00 1htd s HIS 92 Cb -0.19 0.36 -0.23 0.00 -0.00 0.00 0.00 32.58 32.52 1htd s HIS 92 CO 0.13 -0.68 0.77 -0.44 -0.00 0.00 0.00 174.74 174.53 1htd h ASP 93 N 2.60 0.08 -4.99 7.38 3.32 -1.11 -3.49 116.42 120.22 1htd h ASP 93 Ca -0.32 -0.15 -0.11 0.00 0.02 0.00 0.00 57.03 56.48 1htd h ASP 93 Cb 1.23 -0.03 -0.20 0.00 0.22 0.00 0.00 39.33 40.56 1htd h ASP 93 CO 0.42 1.13 -0.19 0.21 -1.72 0.00 0.00 179.24 179.08 1htd s ASN 94 N -6.39 -0.27 -0.06 6.45 3.84 -1.09 -3.86 114.94 113.55 1htd s ASN 94 Ca -0.06 0.19 0.00 0.00 0.21 0.00 0.00 52.86 53.21 1htd s ASN 94 Cb 0.08 0.35 0.02 0.00 -0.55 0.00 0.00 41.25 41.16 1htd s ASN 94 CO 0.82 -0.48 -0.04 0.00 -2.79 0.00 0.00 177.10 174.61 1htd s ALA 95 N -1.33 0.82 -0.16 1.71 0.00 -0.90 -1.06 121.76 120.84 1htd s ALA 95 Ca -0.13 -0.17 -0.03 0.00 0.00 0.00 0.00 51.96 51.63 1htd s ALA 95 Cb -0.04 -0.59 -0.02 0.00 0.00 0.00 0.00 23.12 22.47 1htd s ALA 95 CO 0.05 -0.18 -0.06 -0.65 0.00 0.00 0.00 175.76 174.92 1htd s GLN 96 N 1.30 3.54 -0.15 0.00 -1.52 -0.71 -2.04 119.66 120.07 1htd s GLN 96 Ca -0.05 -0.58 -0.17 0.00 -1.95 0.00 0.00 55.36 52.61 1htd s GLN 96 Cb -0.14 -2.86 -0.04 0.00 -0.22 0.00 0.00 33.01 29.75 1htd s GLN 96 CO -0.02 0.14 0.45 -1.17 -0.25 0.00 0.00 175.29 174.44 1htd s LEU 97 N 0.59 4.23 -0.29 2.90 2.96 0.17 -1.38 118.68 127.87 1htd s LEU 97 Ca -0.04 0.71 -0.08 0.00 -0.22 0.00 0.00 54.13 54.51 1htd s LEU 97 Cb -0.15 -2.63 -0.00 0.00 0.50 0.00 0.00 46.19 43.91 1htd s LEU 97 CO 0.03 -0.03 0.09 -0.22 -1.32 0.00 0.00 176.35 174.90 1htd s LEU 98 N 0.86 3.80 0.21 -0.68 2.96 0.33 -0.13 118.68 126.02 1htd s LEU 98 Ca 0.24 -0.55 0.11 0.00 -0.22 0.00 0.00 54.13 53.70 1htd s LEU 98 Cb -0.15 -1.92 -0.04 0.00 0.50 0.00 0.00 46.19 44.58 1htd s LEU 98 CO 0.09 -0.16 -0.21 0.28 -1.32 0.00 0.00 176.35 175.03 1htd s THR 99 N 1.55 2.20 -1.57 3.68 -1.32 -0.68 -1.81 115.64 117.71 1htd s THR 99 Ca 0.04 -2.09 0.13 0.00 -1.21 0.00 0.00 61.69 58.56 1htd s THR 99 Cb -0.17 -2.08 0.14 0.00 -1.51 0.00 0.00 72.50 68.88 1htd s THR 99 CO 0.03 -0.26 0.97 0.00 -2.21 0.00 0.00 174.62 173.16 1htd n ALA 100 N 0.04 2.44 -1.77 11.08 0.00 -1.26 -0.62 120.51 130.42 1htd n ALA 100 Ca -0.11 -0.69 -0.40 0.00 0.00 0.00 0.00 53.44 52.25 1htd n ALA 100 Cb 0.57 -0.46 -0.03 0.00 0.00 0.00 0.00 19.45 19.54 1htd n ALA 100 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 1htd s ILE 101 N -1.08 3.09 -0.58 0.00 2.07 -1.26 -4.92 121.20 118.52 1htd s ILE 101 Ca 0.17 1.05 -0.27 0.00 -1.41 0.00 0.00 60.65 60.19 1htd s ILE 101 Cb 0.11 -3.64 -0.01 0.00 0.13 0.00 0.00 42.46 39.06 1htd s ILE 101 CO 0.17 0.21 1.67 -0.70 -1.91 0.00 0.00 174.94 174.37 1htd s GLU 102 N -1.83 2.95 0.22 3.50 2.12 -1.26 -4.92 118.70 119.48 1htd s GLU 102 Ca 0.50 0.56 -0.30 0.00 0.36 0.00 0.00 54.97 56.10 1htd s GLU 102 Cb -0.35 -4.27 -0.08 0.00 0.26 0.00 0.00 34.13 29.69 1htd s GLU 102 CO 0.45 -2.36 1.15 -0.51 -0.54 0.00 0.00 175.26 173.45 1htd s LEU 103 N 7.64 4.49 0.00 2.70 1.43 -1.26 -4.66 118.68 129.02 1htd s LEU 103 Ca 0.61 2.23 0.00 0.00 -1.03 0.00 0.00 54.13 55.94 1htd s LEU 103 Cb -0.13 -3.61 0.00 0.00 0.03 0.00 0.00 46.19 42.48 1htd s LEU 103 CO 0.23 -0.28 0.00 0.47 0.23 0.00 0.00 176.35 177.00 1htd n ASP 104 N 2.03 0.00 -4.04 2.29 8.00 -0.45 -3.61 116.55 120.76 1htd n ASP 104 Ca 0.02 0.00 -0.18 0.00 0.71 0.00 0.00 54.79 55.34 1htd n ASP 104 Cb 0.45 0.00 -0.07 0.00 -0.02 0.00 0.00 41.12 41.47 1htd n ASP 104 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1htd n GLU 105 N 0.00 0.03 -3.97 -1.24 1.02 -1.26 -3.68 120.64 111.54 1htd n GLU 105 Ca 0.00 -0.85 -0.35 0.00 -0.02 0.00 0.00 57.16 55.94 1htd n GLU 105 Cb 0.00 -2.40 -0.06 0.00 -0.02 0.00 0.00 31.44 28.95 1htd n GLU 105 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 1htd n GLU 106 N 6.53 -0.77 -2.72 3.49 0.00 -1.26 -4.88 120.64 121.04 1htd n GLU 106 Ca 0.27 0.11 -0.41 0.00 0.00 0.00 0.00 57.16 57.13 1htd n GLU 106 Cb 0.42 -3.81 -0.04 0.00 0.00 0.00 0.00 31.44 28.01 1htd n GLU 106 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.13 178.12 1htd s THR 107 N -2.83 4.47 -0.37 3.84 2.01 -1.24 -4.93 115.64 116.59 1htd s THR 107 Ca 0.67 2.05 0.07 0.00 0.31 0.00 0.00 61.69 64.80 1htd s THR 107 Cb -0.39 -4.31 -0.06 0.00 0.01 0.00 0.00 72.50 67.74 1htd s THR 107 CO 0.83 0.32 0.33 0.18 -0.69 0.00 0.00 174.62 175.59 1htd n LEU 108 N 2.77 0.42 -3.67 4.42 4.32 -1.26 -4.48 117.00 119.52 1htd n LEU 108 Ca 0.02 -0.54 0.04 0.00 -0.02 0.00 0.00 56.01 55.52 1htd n LEU 108 Cb 0.49 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.29 1htd n LEU 108 CO 0.51 0.10 1.22 -0.83 -1.22 0.00 0.00 177.39 177.17 1htd s GLY 109 N -1.57 -0.44 -0.28 -0.72 0.00 -1.26 -0.69 107.32 102.35 1htd s GLY 109 Ca 0.03 0.78 -0.22 0.00 0.00 0.00 0.00 44.72 45.31 1htd s GLY 109 CO 0.27 1.81 1.00 -2.27 0.00 0.00 0.00 173.10 173.90 1htd s LEU 110 N -3.23 -0.49 -0.23 0.66 2.96 0.03 -4.96 118.68 113.42 1htd s LEU 110 Ca 0.19 0.88 -0.21 0.00 -0.22 0.00 0.00 54.13 54.77 1htd s LEU 110 Cb 0.06 1.86 0.06 0.00 0.50 0.00 0.00 46.19 48.67 1htd s LEU 110 CO -0.06 -0.15 0.60 0.00 -1.32 0.00 0.00 176.35 175.43 1htd s ALA 111 N 0.64 -1.49 0.46 5.97 0.00 -1.26 -0.47 121.76 125.60 1htd s ALA 111 Ca -0.01 1.70 -0.23 0.00 0.00 0.00 0.00 51.96 53.42 1htd s ALA 111 Cb -0.05 -0.99 -0.07 0.00 0.00 0.00 0.00 23.12 22.01 1htd s ALA 111 CO -0.10 -0.29 1.20 -1.25 0.00 0.00 0.00 175.76 175.33 1htd s PRO 112 N 0.32 3.72 0.03 0.00 0.04 -1.26 -4.82 135.00 133.02 1htd s PRO 112 Ca -0.00 1.87 -0.30 0.00 0.04 0.00 0.00 61.00 62.61 1htd s PRO 112 Cb -0.04 -2.44 -0.04 0.00 0.04 0.00 0.00 34.50 32.02 1htd s PRO 112 CO 0.01 -0.61 0.99 -1.17 0.04 0.00 0.00 177.00 176.25 1htd s LEU 113 N -3.00 4.40 -1.21 -3.56 2.96 -1.26 -3.49 118.68 113.52 1htd s LEU 113 Ca 0.64 1.70 -0.08 0.00 -0.22 0.00 0.00 54.13 56.17 1htd s LEU 113 Cb -0.31 -3.57 -0.01 0.00 0.50 0.00 0.00 46.19 42.79 1htd s LEU 113 CO 0.38 -0.23 0.75 0.61 -1.32 0.00 0.00 176.35 176.54 1htd n GLY 114 N 2.77 -0.66 0.00 7.98 0.00 0.40 -4.90 105.19 110.78 1htd n GLY 114 Ca 0.05 0.31 0.00 0.00 0.00 0.00 0.00 46.02 46.38 1htd n GLY 114 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1htd n THR 115 N -4.07 0.82 -1.65 2.61 -2.24 -0.83 -4.90 114.28 104.00 1htd n THR 115 Ca -0.20 -0.89 -0.51 0.00 -2.27 0.00 0.00 64.05 60.18 1htd n THR 115 Cb 0.64 0.60 -0.06 0.00 -2.10 0.00 0.00 70.33 69.41 1htd n THR 115 CO 0.00 0.00 0.00 0.80 -0.57 0.00 0.00 175.07 175.30 1htd n MET 116 N -0.41 1.58 -0.38 -0.78 0.00 -0.89 -0.65 117.12 115.60 1htd n MET 116 Ca 0.00 0.58 0.00 0.00 0.00 0.00 0.00 57.70 58.28 1htd n MET 116 Cb 0.22 -2.30 0.00 0.00 0.00 0.00 0.00 33.22 31.14 1htd n MET 116 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1htd s ASP 118 N -3.27 6.87 0.53 0.00 2.15 0.18 -4.88 116.67 118.25 1htd s ASP 118 Ca 0.00 2.17 0.31 0.00 0.43 0.00 0.00 52.55 55.46 1htd s ASP 118 Cb 0.00 -2.57 1.47 0.00 -0.30 0.00 0.00 42.92 41.52 1htd s ASP 118 CO 0.00 -0.67 1.88 1.55 -0.17 0.00 0.00 175.17 177.76 1htd h PRO 119 N 7.41 0.02 0.00 4.34 0.13 -1.95 -1.50 132.00 140.45 1htd h PRO 119 Ca -0.40 -0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.44 1htd h PRO 119 Cb 1.19 -0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.26 1htd h PRO 119 CO 0.88 0.01 -2.13 1.17 -0.23 0.00 0.00 178.00 177.71 1htd n LYS 120 N -4.28 0.69 -0.11 0.86 0.00 -1.26 -4.16 118.16 109.90 1htd n LYS 120 Ca 0.19 0.09 0.12 0.00 0.00 0.00 0.00 58.31 58.71 1htd n LYS 120 Cb 0.96 -1.40 0.16 0.00 0.00 0.00 0.00 35.03 34.76 1htd n LYS 120 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1htd n LEU 121 N -2.99 3.24 -3.72 3.14 4.32 -1.17 -4.59 117.00 115.23 1htd n LEU 121 Ca -0.33 -1.29 -0.42 0.00 -0.02 0.00 0.00 56.01 53.94 1htd n LEU 121 Cb 0.90 -0.14 -0.00 0.00 -1.62 0.00 0.00 43.42 42.56 1htd n LEU 121 CO 0.23 0.64 2.64 -0.24 -1.22 0.00 0.00 177.39 179.43 1htd n SER 122 N 1.41 3.76 -3.45 -1.43 2.88 -0.57 -4.68 113.62 111.54 1htd n SER 122 Ca 0.17 -2.83 -0.12 0.00 -1.33 0.00 0.00 58.87 54.76 1htd n SER 122 Cb 0.59 -1.61 -0.03 0.00 -0.75 0.00 0.00 64.21 62.41 1htd n SER 122 CO 0.00 0.00 0.00 0.27 -1.23 0.00 0.00 175.04 174.08 1htd s ILE 123 N 3.35 0.00 0.06 2.46 -4.36 -1.26 -2.11 121.20 119.33 1htd s ILE 123 Ca 0.48 -1.42 -0.27 0.00 -0.26 0.00 0.00 60.65 59.17 1htd s ILE 123 Cb 0.14 -2.53 0.09 0.00 1.25 0.00 0.00 42.46 41.40 1htd s ILE 123 CO -0.07 0.00 0.89 -0.83 0.24 0.00 0.00 174.94 175.17 1htd s GLY 124 N -3.13 -0.40 -0.09 6.27 0.00 -0.87 -4.26 107.32 104.84 1htd s GLY 124 Ca 0.25 0.70 0.03 0.00 0.00 0.00 0.00 44.72 45.69 1htd s GLY 124 CO 0.15 0.22 -0.17 -0.26 0.00 0.00 0.00 173.10 173.03 1htd s ILE 125 N -3.21 1.56 -0.05 0.90 -4.36 0.38 -0.65 121.20 115.76 1htd s ILE 125 Ca 0.07 -0.72 0.05 0.00 -0.26 0.00 0.00 60.65 59.79 1htd s ILE 125 Cb -0.01 -1.39 -0.01 0.00 1.25 0.00 0.00 42.46 42.31 1htd s ILE 125 CO -0.06 0.45 -0.21 -0.69 0.24 0.00 0.00 174.94 174.68 1htd s VAL 126 N 0.60 1.70 -0.12 8.37 1.01 0.82 -0.79 120.40 131.99 1htd s VAL 126 Ca -0.15 -0.87 -0.11 0.00 0.00 0.00 0.00 61.98 60.85 1htd s VAL 126 Cb -0.16 -1.45 -0.05 0.00 0.00 0.00 0.00 36.38 34.72 1htd s VAL 126 CO 0.05 0.48 0.24 -1.58 0.00 0.00 0.00 175.10 174.29 1htd s GLN 127 N -0.04 3.93 -1.13 2.72 0.74 0.13 -1.68 119.66 124.33 1htd s GLN 127 Ca -0.04 0.03 -0.22 0.00 0.05 0.00 0.00 55.36 55.19 1htd s GLN 127 Cb -0.12 -3.31 -0.01 0.00 1.10 0.00 0.00 33.01 30.67 1htd s GLN 127 CO 0.03 0.50 1.78 0.34 -0.55 0.00 0.00 175.29 177.39 1htd s ASP 128 N -0.30 5.88 0.00 6.67 2.15 0.20 -4.67 116.67 126.60 1htd s ASP 128 Ca 0.16 -1.65 0.18 0.00 0.43 0.00 0.00 52.55 51.67 1htd s ASP 128 Cb -0.13 -2.58 -0.11 0.00 -0.30 0.00 0.00 42.92 39.81 1htd s ASP 128 CO 0.05 -2.14 0.84 0.00 -0.17 0.00 0.00 175.17 173.75 1htd n HIS 129 N 11.45 0.00 -3.82 -5.34 1.44 -1.26 -4.89 115.22 112.80 1htd n HIS 129 Ca 0.43 0.00 -0.12 0.00 -2.01 0.00 0.00 57.72 56.01 1htd n HIS 129 Cb 0.47 0.00 -0.13 0.00 0.12 0.00 0.00 29.99 30.46 1htd n HIS 129 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 1htd s SER 130 N -2.42 -0.16 0.00 4.39 0.15 -1.26 -5.00 113.70 109.40 1htd s SER 130 Ca 0.11 0.31 0.25 0.00 0.70 0.00 0.00 55.95 57.31 1htd s SER 130 Cb 0.14 0.31 1.43 0.00 -1.71 0.00 0.00 66.02 66.18 1htd s SER 130 CO 0.61 -0.05 1.92 -0.81 1.20 0.00 0.00 173.24 176.11 1htd n PRO 131 N 3.03 1.06 -3.45 5.44 -0.04 -1.26 -4.68 135.00 135.10 1htd n PRO 131 Ca -0.13 -0.08 -0.42 0.00 -0.04 0.00 0.00 63.50 62.83 1htd n PRO 131 Cb 0.59 -1.39 -0.10 0.00 -0.04 0.00 0.00 33.50 32.56 1htd n PRO 131 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1htd s ILE 132 N -1.99 5.22 0.46 0.52 1.01 -1.26 -4.96 121.20 120.20 1htd s ILE 132 Ca 0.37 -0.35 0.18 0.00 0.00 0.00 0.00 60.65 60.85 1htd s ILE 132 Cb 0.17 -3.87 0.36 0.00 0.01 0.00 0.00 42.46 39.13 1htd s ILE 132 CO 0.29 -0.20 1.97 0.78 0.00 0.00 0.00 174.94 177.77 1htd h ASN 133 N 8.58 0.26 -0.21 3.58 2.35 -1.97 -2.07 115.58 126.09 1htd h ASN 133 Ca -0.29 0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.47 1htd h ASN 133 Cb 1.13 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 39.45 1htd h ASN 133 CO 0.71 0.14 0.10 0.25 -1.65 0.00 0.00 177.43 176.98 1htd h LEU 134 N 0.28 0.28 -1.05 1.61 5.85 -1.94 0.72 115.31 121.06 1htd h LEU 134 Ca 0.30 -0.13 -0.09 0.00 0.84 0.00 0.00 57.88 58.80 1htd h LEU 134 Cb 0.79 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.74 1htd h LEU 134 CO -0.07 0.34 -0.30 -0.07 -0.34 0.00 0.00 178.44 178.00 1htd h LEU 135 N 0.21 0.31 -0.48 2.25 3.38 -1.78 -1.23 115.31 117.97 1htd h LEU 135 Ca 0.07 -0.10 -0.17 0.00 0.09 0.00 0.00 57.88 57.77 1htd h LEU 135 Cb 0.13 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1htd h LEU 135 CO -0.01 0.60 -0.60 0.24 0.09 0.00 0.00 178.44 178.76 1htd h MET 136 N 0.27 0.52 -0.09 1.13 2.86 -1.26 -1.75 114.93 116.61 1htd h MET 136 Ca 0.04 -0.35 -0.00 0.00 -2.06 0.00 0.00 59.70 57.32 1htd h MET 136 Cb 0.67 0.05 -0.00 0.00 0.06 0.00 0.00 31.60 32.37 1htd h MET 136 CO 0.05 0.96 0.05 0.78 1.06 0.00 0.00 176.91 179.81 1htd h GLY 137 N 1.10 0.13 0.81 8.32 0.00 -0.28 -0.60 103.07 112.56 1htd h GLY 137 Ca -0.00 -0.06 0.03 0.00 0.00 0.00 0.00 47.33 47.30 1htd h GLY 137 CO 0.11 0.06 0.32 -2.08 0.00 0.00 0.00 176.54 174.95 1htd h VAL 138 N 0.04 1.02 -0.27 4.60 2.07 -1.23 0.33 116.25 122.81 1htd h VAL 138 Ca 0.03 -0.21 0.01 0.00 0.82 0.00 0.00 66.70 67.35 1htd h VAL 138 Cb 0.09 0.35 -0.02 0.00 -1.52 0.00 0.00 31.29 30.19 1htd h VAL 138 CO -0.00 0.11 0.16 0.74 0.02 0.00 0.00 177.57 178.60 1htd h THR 139 N 0.62 1.04 -0.37 2.57 2.02 -1.08 -0.66 112.91 117.05 1htd h THR 139 Ca 0.23 -0.12 -0.09 0.00 0.77 0.00 0.00 66.41 67.21 1htd h THR 139 Cb 0.07 0.67 -0.01 0.00 -1.74 0.00 0.00 68.15 67.14 1htd h THR 139 CO -0.12 0.06 -0.10 -0.03 0.37 0.00 0.00 175.52 175.70 1htd h MET 140 N 0.34 0.72 -0.27 6.66 4.05 -0.53 -2.33 114.93 123.57 1htd h MET 140 Ca 0.10 -0.28 0.03 0.00 -0.28 0.00 0.00 59.70 59.27 1htd h MET 140 Cb -0.01 -0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 30.73 1htd h MET 140 CO -0.04 0.88 0.19 0.00 0.23 0.00 0.00 176.91 178.16 1htd h ALA 141 N 0.82 1.94 -0.01 0.39 0.00 -0.19 -1.30 119.26 120.91 1htd h ALA 141 Ca 0.09 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1htd h ALA 141 Cb 0.62 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1htd h ALA 141 CO 0.04 0.02 -0.01 1.25 0.00 0.00 0.00 179.25 180.55 1htd h HIS 142 N 0.26 0.02 -0.51 0.00 6.17 -0.84 -1.24 115.15 119.01 1htd h HIS 142 Ca 0.11 -0.01 -0.00 0.00 0.71 0.00 0.00 60.37 61.18 1htd h HIS 142 Cb 0.14 -0.00 -0.03 0.00 2.52 0.00 0.00 27.41 30.04 1htd h HIS 142 CO -0.00 0.60 0.30 0.93 0.71 0.00 0.00 177.93 180.47 1htd h GLU 143 N -0.56 0.68 -0.33 5.26 4.39 -0.98 -1.35 114.58 121.69 1htd h GLU 143 Ca 0.00 -0.06 -0.15 0.00 0.34 0.00 0.00 59.36 59.49 1htd h GLU 143 Cb 0.60 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 29.09 1htd h GLU 143 CO 0.00 0.48 -0.41 -0.07 -1.16 0.00 0.00 179.01 177.86 1htd h LEU 144 N 0.69 0.87 -1.22 1.33 3.38 -1.28 -3.03 115.31 116.05 1htd h LEU 144 Ca 0.18 -0.40 0.08 0.00 0.09 0.00 0.00 57.88 57.83 1htd h LEU 144 Cb -0.02 -0.24 -0.06 0.00 0.09 0.00 0.00 40.66 40.43 1htd h LEU 144 CO -0.03 1.16 0.56 1.23 0.09 0.00 0.00 178.44 181.45 1htd h GLY 145 N 0.87 1.23 1.18 0.83 0.00 -0.13 -0.93 103.07 106.11 1htd h GLY 145 Ca 0.05 -0.37 -0.11 0.00 0.00 0.00 0.00 47.33 46.91 1htd h GLY 145 CO 0.09 0.24 -0.10 0.45 0.00 0.00 0.00 176.54 177.22 1htd h HIS 146 N 0.90 1.07 0.00 5.60 3.86 -1.27 -1.64 115.15 123.66 1htd h HIS 146 Ca 0.39 -0.21 -0.02 0.00 -1.16 0.00 0.00 60.37 59.37 1htd h HIS 146 Cb 0.32 -0.27 -0.00 0.00 1.06 0.00 0.00 27.41 28.52 1htd h HIS 146 CO -0.00 1.00 -0.09 -0.91 0.86 0.00 0.00 177.93 178.79 1htd h ASN 147 N 0.86 0.00 -0.38 2.45 -0.26 -1.10 0.12 115.58 117.28 1htd h ASN 147 Ca 0.14 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.88 1htd h ASN 147 Cb 0.65 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.91 1htd h ASN 147 CO 0.04 0.09 0.00 0.18 -1.06 0.00 0.00 177.43 176.68 1htd n LEU 148 N -4.15 3.57 0.00 1.61 4.77 -0.66 -1.97 117.00 120.17 1htd n LEU 148 Ca -0.03 -1.81 0.00 0.00 -0.03 0.00 0.00 56.01 54.15 1htd n LEU 148 Cb 0.17 -0.54 0.00 0.00 -2.33 0.00 0.00 43.42 40.72 1htd n LEU 148 CO 0.33 0.51 0.00 0.61 -1.33 0.00 0.00 177.39 177.51 1htd n GLY 149 N 0.57 0.70 3.74 -0.72 0.00 -1.00 -4.21 105.19 104.27 1htd n GLY 149 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 1htd n GLY 149 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1htd s MET 150 N -0.76 4.67 0.45 1.61 -1.94 -0.65 -4.65 119.30 118.03 1htd s MET 150 Ca 0.00 1.60 0.07 0.00 -1.71 0.00 0.00 55.69 55.65 1htd s MET 150 Cb 0.00 -3.31 -0.01 0.00 2.01 0.00 0.00 34.83 33.52 1htd s MET 150 CO 0.00 0.19 0.37 -1.21 -0.01 0.00 0.00 175.02 174.36 1htd s GLU 151 N -0.39 2.42 0.67 2.03 2.02 -1.26 -4.14 118.70 120.05 1htd s GLU 151 Ca 0.47 -1.69 -0.15 0.00 0.02 0.00 0.00 54.97 53.62 1htd s GLU 151 Cb -0.27 -2.27 0.01 0.00 0.10 0.00 0.00 34.13 31.70 1htd s GLU 151 CO 0.33 -0.30 1.14 -1.01 0.02 0.00 0.00 175.26 175.44 1htd s HIS 152 N -2.56 2.45 0.56 1.61 3.76 -1.26 -4.89 115.29 114.95 1htd s HIS 152 Ca 0.45 1.57 -0.01 0.00 -0.15 0.00 0.00 55.06 56.91 1htd s HIS 152 Cb -0.02 -3.27 0.11 0.00 1.11 0.00 0.00 32.58 30.51 1htd s HIS 152 CO 0.26 -1.96 0.76 -0.25 -0.85 0.00 0.00 174.74 172.70 1htd n ASP 153 N -2.43 0.95 -4.80 1.40 8.00 0.01 -4.97 116.55 114.71 1htd n ASP 153 Ca 0.11 -1.82 -0.34 0.00 0.71 0.00 0.00 54.79 53.46 1htd n ASP 153 Cb 0.51 -0.50 -0.01 0.00 -0.02 0.00 0.00 41.12 41.10 1htd n ASP 153 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1htd s GLY 154 N -4.47 2.40 0.63 0.44 0.00 -1.26 -4.23 107.32 100.83 1htd s GLY 154 Ca 0.50 0.57 0.35 0.00 0.00 0.00 0.00 44.72 46.14 1htd s GLY 154 CO 0.33 0.89 2.20 0.07 0.00 0.00 0.00 173.10 176.59 1htd h LYS 155 N 1.15 0.00 -0.43 2.90 2.10 -1.97 -1.92 116.57 118.40 1htd h LYS 155 Ca -0.49 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.16 1htd h LYS 155 Cb 1.23 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.56 1htd h LYS 155 CO 0.58 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.78 1htd n ASP 156 N -3.38 4.01 -4.64 7.07 8.00 -1.26 -4.89 116.55 121.46 1htd n ASP 156 Ca -0.02 -2.54 -0.45 0.00 0.71 0.00 0.00 54.79 52.49 1htd n ASP 156 Cb 0.20 -0.48 -0.03 0.00 -0.02 0.00 0.00 41.12 40.80 1htd n ASP 156 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1htd s LEU 158 N 0.15 1.02 -0.68 0.00 1.43 -1.26 -3.45 118.68 115.89 1htd s LEU 158 Ca 0.67 0.40 -0.02 0.00 -1.03 0.00 0.00 54.13 54.16 1htd s LEU 158 Cb -0.69 0.64 0.17 0.00 0.03 0.00 0.00 46.19 46.34 1htd s LEU 158 CO 0.52 -0.10 0.50 -0.60 0.23 0.00 0.00 176.35 176.91 1htd s ARG 159 N 0.47 2.67 7.78 1.70 6.06 0.22 -4.90 118.95 132.95 1htd s ARG 159 Ca -0.03 -2.74 0.00 0.00 -2.50 0.00 0.00 55.73 50.46 1htd s ARG 159 Cb -0.04 -3.74 0.00 0.00 0.06 0.00 0.00 34.95 31.23 1htd s ARG 159 CO -0.02 -1.20 0.00 0.41 -2.50 0.00 0.00 175.30 171.99 1htd n GLY 160 N 3.13 2.28 0.69 8.12 0.00 -1.26 -1.78 105.19 116.37 1htd n GLY 160 Ca 0.11 -0.41 0.07 0.00 0.00 0.00 0.00 46.02 45.79 1htd n GLY 160 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1htd n ALA 161 N 9.00 2.33 -2.52 4.61 0.00 -1.26 -4.96 120.51 127.71 1htd n ALA 161 Ca 0.00 -0.93 -0.34 0.00 0.00 0.00 0.00 53.44 52.17 1htd n ALA 161 Cb 0.00 -0.51 -0.05 0.00 0.00 0.00 0.00 19.45 18.88 1htd n ALA 161 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1htd s SER 162 N -1.07 6.66 0.24 0.00 0.01 -0.73 -4.82 113.70 113.99 1htd s SER 162 Ca 0.23 0.84 -0.26 0.00 1.31 0.00 0.00 55.95 58.07 1htd s SER 162 Cb 0.14 -2.20 -0.09 0.00 0.21 0.00 0.00 66.02 64.08 1htd s SER 162 CO 0.19 0.11 0.87 -0.76 0.41 0.00 0.00 173.24 174.06 1htd s LEU 163 N -2.12 4.50 0.15 2.44 1.43 0.51 0.69 118.68 126.28 1htd s LEU 163 Ca 0.37 1.77 -0.30 0.00 -1.03 0.00 0.00 54.13 54.93 1htd s LEU 163 Cb -0.14 -3.65 -0.07 0.00 0.03 0.00 0.00 46.19 42.36 1htd s LEU 163 CO 0.19 0.09 1.19 0.00 0.23 0.00 0.00 176.35 178.05 1htd h ILE 165 N 3.96 1.18 -0.26 0.00 2.04 -0.72 -3.11 117.51 120.60 1htd h ILE 165 Ca -0.44 -0.70 0.00 0.00 1.00 0.00 0.00 64.86 64.72 1htd h ILE 165 Cb 1.21 0.91 0.00 0.00 -0.74 0.00 0.00 36.82 38.20 1htd h ILE 165 CO 0.76 0.24 0.00 0.23 0.00 0.00 0.00 178.15 179.38 1htd n MET 166 N -4.31 1.92 -1.46 2.37 2.81 -1.26 -4.78 117.12 112.41 1htd n MET 166 Ca 0.01 -1.06 -0.36 0.00 -1.81 0.00 0.00 57.70 54.49 1htd n MET 166 Cb 0.22 -1.41 0.09 0.00 -0.71 0.00 0.00 33.22 31.41 1htd n MET 166 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1htd n ARG 167 N 0.29 0.70 0.01 0.03 1.74 -1.18 -0.81 116.66 117.44 1htd n ARG 167 Ca 0.10 0.30 0.05 0.00 -0.77 0.00 0.00 57.85 57.53 1htd n ARG 167 Cb 0.36 -2.44 0.23 0.00 -1.02 0.00 0.00 32.46 29.59 1htd n ARG 167 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1htd n PRO 168 N -2.32 0.01 -4.11 5.56 -0.04 -1.26 -4.76 135.00 128.07 1htd n PRO 168 Ca 0.15 0.33 -0.08 0.00 -0.04 0.00 0.00 63.50 63.86 1htd n PRO 168 Cb 0.49 -1.52 -0.10 0.00 -0.04 0.00 0.00 33.50 32.33 1htd n PRO 168 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1htd s GLY 169 N -3.03 0.59 -0.25 0.55 0.00 -1.26 -5.14 107.32 98.78 1htd s GLY 169 Ca 0.05 -1.27 -0.12 0.00 0.00 0.00 0.00 44.72 43.38 1htd s GLY 169 CO 0.19 -1.35 0.23 -2.27 0.00 0.00 0.00 173.10 169.90 1htd s LEU 170 N -2.96 4.08 -0.01 0.66 2.96 -1.26 -5.05 118.68 117.10 1htd s LEU 170 Ca 0.10 0.16 0.05 0.00 -0.22 0.00 0.00 54.13 54.22 1htd s LEU 170 Cb 0.07 -2.21 -0.03 0.00 0.50 0.00 0.00 46.19 44.52 1htd s LEU 170 CO -0.08 -0.03 -0.15 -0.89 -1.32 0.00 0.00 176.35 173.89 1htd s THR 171 N 1.45 3.02 0.15 3.68 2.01 -1.26 -5.10 115.64 119.58 1htd s THR 171 Ca 0.10 -0.91 -0.30 0.00 0.31 0.00 0.00 61.69 60.89 1htd s THR 171 Cb -0.15 -2.23 -0.07 0.00 0.01 0.00 0.00 72.50 70.07 1htd s THR 171 CO 0.08 0.47 1.06 -0.54 -0.69 0.00 0.00 174.62 175.00 1htd s LYS 172 N -1.08 4.62 0.31 4.92 1.02 -1.26 -5.01 119.74 123.26 1htd s LYS 172 Ca 0.13 1.63 -0.19 0.00 0.02 0.00 0.00 55.97 57.56 1htd s LYS 172 Cb -0.11 -3.32 0.04 0.00 -0.52 0.00 0.00 37.83 33.93 1htd s LYS 172 CO 0.03 0.10 0.80 0.20 -0.92 0.00 0.00 175.35 175.56 1htd s GLY 173 N 0.00 0.11 0.00 -3.33 0.00 -1.26 -5.05 107.32 97.80 1htd s GLY 173 Ca 0.49 -0.46 0.11 0.00 0.00 0.00 0.00 44.72 44.86 1htd s GLY 173 CO 0.33 0.01 0.72 0.54 0.00 0.00 0.00 173.10 174.70 1htd n ARG 174 N -0.51 1.66 -4.02 2.90 1.74 -1.26 -4.94 116.66 112.23 1htd n ARG 174 Ca -0.06 -0.78 -0.24 0.00 -0.77 0.00 0.00 57.85 56.00 1htd n ARG 174 Cb 0.60 -1.14 -0.17 0.00 -1.02 0.00 0.00 32.46 30.73 1htd n ARG 174 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1htd s SER 175 N -1.32 1.72 -0.00 0.55 0.15 -1.26 -5.11 113.70 108.42 1htd s SER 175 Ca 0.10 -0.21 0.04 0.00 0.70 0.00 0.00 55.95 56.58 1htd s SER 175 Cb 0.09 -0.65 -0.01 0.00 -1.71 0.00 0.00 66.02 63.74 1htd s SER 175 CO 0.24 -0.10 -0.11 -0.31 1.20 0.00 0.00 173.24 174.16 1htd s TYR 176 N 1.46 1.02 0.16 3.44 1.51 -1.26 -0.36 117.35 123.32 1htd s TYR 176 Ca -0.01 -0.21 -0.08 0.00 -1.01 0.00 0.00 57.07 55.75 1htd s TYR 176 Cb -0.13 -0.65 -0.01 0.00 -0.11 0.00 0.00 41.96 41.06 1htd s TYR 176 CO -0.04 -0.01 0.26 -1.21 -1.11 0.00 0.00 175.55 173.44 1htd s GLU 177 N -0.39 1.14 -0.09 -0.62 2.02 0.50 -4.86 118.70 116.41 1htd s GLU 177 Ca 0.04 -1.21 -0.17 0.00 0.02 0.00 0.00 54.97 53.65 1htd s GLU 177 Cb -0.05 0.36 -0.05 0.00 0.10 0.00 0.00 34.13 34.50 1htd s GLU 177 CO -0.00 -0.41 0.44 -0.06 0.02 0.00 0.00 175.26 175.25 1htd s PHE 178 N -3.98 3.57 0.89 1.61 0.08 -1.26 0.09 117.98 118.98 1htd s PHE 178 Ca 0.18 0.89 -0.14 0.00 0.12 0.00 0.00 56.93 57.98 1htd s PHE 178 Cb 0.04 -2.45 0.14 0.00 -0.57 0.00 0.00 43.02 40.18 1htd s PHE 178 CO 0.01 0.32 1.25 -1.54 -0.10 0.00 0.00 175.22 175.15 1htd s SER 179 N 0.10 3.74 0.25 1.36 1.04 -1.26 -4.91 113.70 114.01 1htd s SER 179 Ca 0.24 0.54 -0.04 0.00 0.48 0.00 0.00 55.95 57.17 1htd s SER 179 Cb -0.15 -0.81 0.28 0.00 0.10 0.00 0.00 66.02 65.44 1htd s SER 179 CO 0.10 -2.37 1.80 0.44 0.98 0.00 0.00 173.24 174.19 1htd h ASP 180 N -1.38 0.92 -0.55 7.02 3.32 -1.99 -2.28 116.42 121.48 1htd h ASP 180 Ca -0.45 -0.16 0.04 0.00 0.02 0.00 0.00 57.03 56.48 1htd h ASP 180 Cb 1.28 -0.24 -0.04 0.00 0.22 0.00 0.00 39.33 40.55 1htd h ASP 180 CO 0.52 0.87 0.30 0.44 -1.72 0.00 0.00 179.24 179.65 1htd h ASP 181 N 0.96 0.44 -0.39 6.45 5.19 -1.99 -1.02 116.42 126.07 1htd h ASP 181 Ca 0.21 0.02 0.05 0.00 -0.62 0.00 0.00 57.03 56.70 1htd h ASP 181 Cb 0.28 -0.06 -0.05 0.00 0.18 0.00 0.00 39.33 39.68 1htd h ASP 181 CO -0.01 0.30 0.10 0.28 -3.12 0.00 0.00 179.24 176.80 1htd h SER 182 N 0.58 0.06 -0.38 6.45 0.02 -1.77 0.15 113.55 118.65 1htd h SER 182 Ca 0.24 0.06 -0.03 0.00 -0.84 0.00 0.00 61.79 61.22 1htd h SER 182 Cb 0.12 0.06 -0.02 0.00 0.14 0.00 0.00 62.40 62.70 1htd h SER 182 CO -0.15 0.07 0.15 0.24 -1.14 0.00 0.00 176.83 176.00 1htd h MET 183 N 0.24 0.64 0.10 3.45 2.86 -0.93 -0.74 114.93 120.55 1htd h MET 183 Ca 0.18 -0.10 -0.27 0.00 -2.06 0.00 0.00 59.70 57.45 1htd h MET 183 Cb 0.20 -0.11 0.01 0.00 0.06 0.00 0.00 31.60 31.76 1htd h MET 183 CO -0.22 0.56 -1.17 0.45 1.06 0.00 0.00 176.91 177.59 1htd h HIS 184 N 0.63 0.71 0.23 -0.22 -0.00 -0.49 -0.65 115.15 115.36 1htd h HIS 184 Ca 0.15 -0.46 -0.01 0.00 -0.00 0.00 0.00 60.37 60.05 1htd h HIS 184 Cb 0.18 -0.05 0.00 0.00 -0.00 0.00 0.00 27.41 27.54 1htd h HIS 184 CO 0.01 1.31 -0.11 1.88 -0.00 0.00 0.00 177.93 181.03 1htd h TYR 185 N 0.19 -0.28 -0.22 2.45 0.05 -0.50 -1.93 116.97 116.72 1htd h TYR 185 Ca -0.14 -0.01 0.03 0.00 0.05 0.00 0.00 58.73 58.67 1htd h TYR 185 Cb 1.85 0.09 -0.03 0.00 1.01 0.00 0.00 36.73 39.65 1htd h TYR 185 CO 0.08 -0.11 0.02 -0.92 -1.05 0.00 0.00 178.16 176.19 1htd h TYR 186 N -0.39 0.03 -0.56 4.88 3.20 -1.17 -1.54 116.97 121.42 1htd h TYR 186 Ca -0.03 0.01 0.09 0.00 3.14 0.00 0.00 58.73 61.94 1htd h TYR 186 Cb 0.30 0.02 -0.07 0.00 1.54 0.00 0.00 36.73 38.52 1htd h TYR 186 CO -0.04 -0.01 0.19 1.49 -1.64 0.00 0.00 178.16 178.16 1htd h GLU 187 N 0.10 0.35 -0.78 1.82 4.81 -0.98 -0.59 114.58 119.31 1htd h GLU 187 Ca 0.10 -0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.27 1htd h GLU 187 Cb 0.12 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.38 1htd h GLU 187 CO -0.15 0.23 0.30 -0.09 -0.73 0.00 0.00 179.01 178.57 1htd h ARG 188 N 0.36 1.16 -0.29 1.92 2.43 -0.97 -0.59 114.38 118.40 1htd h ARG 188 Ca 0.28 -0.21 -0.04 0.00 -0.81 0.00 0.00 59.98 59.20 1htd h ARG 188 Cb 0.34 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 29.69 1htd h ARG 188 CO -0.30 0.95 0.00 0.35 -1.51 0.00 0.00 179.97 179.46 1htd h PHE 189 N 1.13 0.45 -0.23 2.20 3.57 -0.53 0.21 116.94 123.74 1htd h PHE 189 Ca 0.26 -0.04 -0.08 0.00 3.53 0.00 0.00 57.97 61.64 1htd h PHE 189 Cb 0.22 -0.13 -0.00 0.00 2.79 0.00 0.00 35.95 38.82 1htd h PHE 189 CO 0.02 0.45 -0.18 1.25 -2.23 0.00 0.00 178.31 177.63 1htd h LEU 190 N 0.43 0.55 -0.06 0.59 5.85 -0.32 -2.31 115.31 120.04 1htd h LEU 190 Ca 0.10 -0.45 -0.11 0.00 0.84 0.00 0.00 57.88 58.25 1htd h LEU 190 Cb 0.28 -0.15 0.01 0.00 0.37 0.00 0.00 40.66 41.16 1htd h LEU 190 CO 0.01 0.88 -0.40 0.11 -0.34 0.00 0.00 178.44 178.70 1htd h LYS 191 N 0.22 0.37 0.00 1.25 1.57 -0.79 -3.13 116.57 116.05 1htd h LYS 191 Ca 0.04 -0.32 0.00 0.00 -1.87 0.00 0.00 60.65 58.50 1htd h LYS 191 Cb 0.71 0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.09 1htd h LYS 191 CO 0.05 0.97 0.00 0.94 -0.57 0.00 0.00 179.45 180.84 1htd n GLN 192 N -4.36 0.00 0.22 3.15 7.27 0.70 -4.35 117.38 120.01 1htd n GLN 192 Ca -0.09 0.12 0.13 0.00 0.07 0.00 0.00 57.00 57.23 1htd n GLN 192 Cb 0.55 -0.83 0.74 0.00 2.41 0.00 0.00 30.24 33.11 1htd n GLN 192 CO 0.00 0.00 0.00 -0.92 0.07 0.00 0.00 177.06 176.21 1htd h TYR 193 N 0.00 0.00 -6.82 3.69 3.20 -1.61 -3.48 116.97 111.95 1htd h TYR 193 Ca 0.00 0.00 -0.54 0.00 3.14 0.00 0.00 58.73 61.33 1htd h TYR 193 Cb 0.00 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.26 1htd h TYR 193 CO 0.02 0.00 -1.05 1.63 -1.64 0.00 0.00 178.16 177.12 1htd n LYS 194 N -4.25 -0.96 -1.68 1.82 5.02 -1.10 -4.81 118.16 112.20 1htd n LYS 194 Ca -0.00 0.46 -0.45 0.00 -2.02 0.00 0.00 58.31 56.29 1htd n LYS 194 Cb 0.21 -2.42 -0.04 0.00 -0.02 0.00 0.00 35.03 32.77 1htd n LYS 194 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 1htd n PRO 195 N -3.71 2.45 0.09 1.97 -0.04 -1.26 -4.89 135.00 129.61 1htd n PRO 195 Ca -0.23 0.89 -0.05 0.00 -0.04 0.00 0.00 63.50 64.08 1htd n PRO 195 Cb 0.63 -2.75 -0.02 0.00 -0.04 0.00 0.00 33.50 31.32 1htd n PRO 195 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 1htd h GLN 196 N 8.52 0.00 0.00 0.54 4.20 -1.90 -3.35 115.11 123.12 1htd h GLN 196 Ca -0.47 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.24 1htd h GLN 196 Cb 1.25 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.03 1htd h GLN 196 CO 0.93 0.85 0.00 0.00 -0.67 0.00 0.00 178.83 179.95 1htd n ILE 198 N -1.54 3.02 -0.07 0.00 -5.35 -1.26 -4.44 119.36 109.73 1htd n ILE 198 Ca 0.06 -1.92 -0.07 0.00 -0.27 0.00 0.00 62.75 60.55 1htd n ILE 198 Cb 0.31 -0.41 -0.11 0.00 -1.74 0.00 0.00 39.64 37.68 1htd n ILE 198 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 1htd n LEU 199 N -0.79 0.00 -4.73 7.28 4.32 -1.26 -0.68 117.00 121.14 1htd n LEU 199 Ca 0.49 0.00 -0.41 0.00 -0.02 0.00 0.00 56.01 56.07 1htd n LEU 199 Cb 1.49 0.35 -0.03 0.00 -1.62 0.00 0.00 43.42 43.60 1htd n LEU 199 CO 0.49 0.35 0.91 0.54 -1.22 0.00 0.00 177.39 178.46 1htd s ASN 200 N -4.76 7.03 -0.33 -1.43 4.22 -1.26 -4.68 114.94 113.73 1htd s ASN 200 Ca -0.07 2.24 -0.29 0.00 -2.14 0.00 0.00 52.86 52.60 1htd s ASN 200 Cb 0.04 -2.60 0.00 0.00 1.28 0.00 0.00 41.25 39.97 1htd s ASN 200 CO 0.60 -0.43 1.35 -0.75 -2.04 0.00 0.00 177.10 175.83 1htd s LYS 201 N 0.04 3.81 0.00 3.55 2.20 -1.26 -4.63 119.74 123.46 1htd s LYS 201 Ca 0.55 1.18 0.08 0.00 -0.36 0.00 0.00 55.97 57.42 1htd s LYS 201 Cb -0.33 -3.93 0.47 0.00 -1.51 0.00 0.00 37.83 32.53 1htd s LYS 201 CO 0.35 -1.26 0.93 -0.35 -0.36 0.00 0.00 175.35 174.67