#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3his s ILE 2 N 0.00 5.07 -0.07 2.52 -1.09 -1.26 -4.98 121.20 121.39 3his s ILE 2 Ca 0.00 0.68 0.03 0.00 -2.23 0.00 0.00 60.65 59.13 3his s ILE 2 Cb 0.00 -3.67 0.01 0.00 -1.58 0.00 0.00 42.46 37.22 3his s ILE 2 CO 0.00 0.48 -0.16 -0.63 -1.23 0.00 0.00 174.94 173.40 3his s ILE 3 N -1.19 1.40 0.15 2.92 1.01 -1.26 -1.66 121.20 122.57 3his s ILE 3 Ca 0.26 -0.64 0.09 0.00 0.00 0.00 0.00 60.65 60.36 3his s ILE 3 Cb -0.15 -1.25 -0.04 0.00 0.01 0.00 0.00 42.46 41.03 3his s ILE 3 CO 0.14 0.41 -0.21 -0.31 0.00 0.00 0.00 174.94 174.98 3his s TYR 4 N 0.50 1.96 0.02 3.97 2.02 -0.47 -5.01 117.35 120.34 3his s TYR 4 Ca -0.14 -0.42 0.01 0.00 -0.37 0.00 0.00 57.07 56.14 3his s TYR 4 Cb -0.16 -1.01 -0.02 0.00 -0.40 0.00 0.00 41.96 40.37 3his s TYR 4 CO 0.05 0.33 -0.04 -1.21 -1.57 0.00 0.00 175.55 173.11 3his s GLU 5 N -2.45 0.33 -0.06 -0.62 2.02 -1.26 -0.62 118.70 116.05 3his s GLU 5 Ca 0.14 -0.57 -0.01 0.00 0.02 0.00 0.00 54.97 54.55 3his s GLU 5 Cb -0.08 -0.00 0.03 0.00 0.10 0.00 0.00 34.13 34.18 3his s GLU 5 CO 0.07 -0.02 0.00 -1.17 0.02 0.00 0.00 175.26 174.16 3his s LEU 6 N -1.31 0.71 -0.17 1.80 2.96 -0.04 -4.84 118.68 117.79 3his s LEU 6 Ca -0.13 -0.06 -0.23 0.00 -0.22 0.00 0.00 54.13 53.49 3his s LEU 6 Cb -0.09 -0.37 -0.02 0.00 0.50 0.00 0.00 46.19 46.21 3his s LEU 6 CO -0.01 -0.17 0.75 0.21 -1.32 0.00 0.00 176.35 175.81 3his s ASN 7 N 1.72 6.86 0.00 3.68 3.84 -1.26 -1.34 114.94 128.44 3his s ASN 7 Ca 0.01 1.05 0.29 0.00 0.21 0.00 0.00 52.86 54.42 3his s ASN 7 Cb -0.13 -2.41 1.24 0.00 -0.55 0.00 0.00 41.25 39.41 3his s ASN 7 CO -0.04 -0.33 1.86 0.18 -2.79 0.00 0.00 177.10 175.98 3his n LEU 8 N 5.02 0.82 -4.75 3.21 4.77 -0.24 -4.35 117.00 121.49 3his n LEU 8 Ca 0.02 -0.22 -0.36 0.00 -0.03 0.00 0.00 56.01 55.42 3his n LEU 8 Cb 0.49 -0.07 -0.07 0.00 -2.33 0.00 0.00 43.42 41.44 3his n LEU 8 CO 0.47 0.14 -0.10 -1.10 -1.33 0.00 0.00 177.39 175.46 3his s GLN 9 N -2.20 4.11 -1.50 3.23 -0.21 -1.26 -4.45 119.66 117.38 3his s GLN 9 Ca 0.36 -0.06 0.00 0.00 0.02 0.00 0.00 55.36 55.68 3his s GLN 9 Cb 0.21 -3.38 0.00 0.00 1.00 0.00 0.00 33.01 30.83 3his s GLN 9 CO 0.41 0.36 0.00 0.41 -2.12 0.00 0.00 175.29 174.34 3his n GLY 10 N 3.19 1.21 3.73 3.09 0.00 -1.26 -4.91 105.19 110.23 3his n GLY 10 Ca -0.15 -0.32 -0.42 0.00 0.00 0.00 0.00 46.02 45.13 3his n GLY 10 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3his s THR 11 N -2.58 2.28 0.38 2.61 2.01 -1.26 -5.00 115.64 114.08 3his s THR 11 Ca 0.00 0.21 0.07 0.00 0.31 0.00 0.00 61.69 62.28 3his s THR 11 Cb 0.00 -3.13 -0.01 0.00 0.01 0.00 0.00 72.50 69.36 3his s THR 11 CO 0.00 0.02 0.41 0.42 -0.69 0.00 0.00 174.62 174.78 3his s THR 12 N 0.87 3.23 0.16 -0.82 -4.23 -1.26 -5.01 115.64 108.58 3his s THR 12 Ca 0.70 -1.21 -0.16 0.00 -1.18 0.00 0.00 61.69 59.84 3his s THR 12 Cb -0.47 -3.12 0.03 0.00 1.34 0.00 0.00 72.50 70.28 3his s THR 12 CO 0.35 -0.08 1.75 0.11 -0.54 0.00 0.00 174.62 176.21 3his h LYS 13 N 0.98 0.26 -0.67 3.99 1.57 -1.96 -1.88 116.57 118.86 3his h LYS 13 Ca -0.43 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.31 3his h LYS 13 Cb 1.26 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 33.48 3his h LYS 13 CO 0.54 0.18 0.29 0.00 -0.57 0.00 0.00 179.45 179.89 3his h ALA 14 N 1.24 1.26 -0.48 3.86 0.00 -1.99 -1.20 119.26 121.95 3his h ALA 14 Ca 0.17 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 3his h ALA 14 Cb 0.15 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3his h ALA 14 CO -0.18 0.56 0.09 1.96 0.00 0.00 0.00 179.25 181.68 3his h GLN 15 N 0.96 0.79 -0.39 0.00 4.20 -1.85 0.84 115.11 119.65 3his h GLN 15 Ca 0.23 -0.20 -0.05 0.00 0.06 0.00 0.00 58.65 58.68 3his h GLN 15 Cb 0.14 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.81 3his h GLN 15 CO -0.03 0.79 0.04 -0.92 -0.67 0.00 0.00 178.83 178.05 3his h TYR 16 N 0.67 0.71 -0.89 2.96 3.20 -1.01 -1.94 116.97 120.67 3his h TYR 16 Ca 0.15 -0.11 -0.01 0.00 3.14 0.00 0.00 58.73 61.91 3his h TYR 16 Cb 0.37 -0.19 -0.04 0.00 1.54 0.00 0.00 36.73 38.40 3his h TYR 16 CO 0.03 0.71 0.54 0.77 -1.64 0.00 0.00 178.16 178.56 3his h SER 17 N 0.50 1.08 -0.56 -2.11 0.02 -1.08 -2.18 113.55 109.22 3his h SER 17 Ca 0.12 -0.07 -0.04 0.00 -0.84 0.00 0.00 61.79 60.96 3his h SER 17 Cb 0.40 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.64 3his h SER 17 CO 0.01 0.83 0.19 0.74 -1.14 0.00 0.00 176.83 177.46 3his h THR 18 N 1.23 1.23 -0.18 -2.27 2.02 -0.66 -1.50 112.91 112.79 3his h THR 18 Ca 0.32 -0.76 0.03 0.00 0.77 0.00 0.00 66.41 66.76 3his h THR 18 Cb -0.05 0.68 -0.03 0.00 -1.74 0.00 0.00 68.15 67.02 3his h THR 18 CO -0.06 0.29 0.02 0.15 0.37 0.00 0.00 175.52 176.29 3his h PHE 19 N 0.77 0.03 -0.50 3.16 3.57 -1.09 -0.53 116.94 122.34 3his h PHE 19 Ca 0.18 0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.61 3his h PHE 19 Cb 0.25 0.01 -0.02 0.00 2.79 0.00 0.00 35.95 38.98 3his h PHE 19 CO 0.01 0.00 -0.02 -0.07 -2.23 0.00 0.00 178.31 176.00 3his h LEU 20 N 0.09 0.84 -1.03 0.59 3.38 -1.22 -2.20 115.31 115.76 3his h LEU 20 Ca 0.08 -0.22 -0.08 0.00 0.09 0.00 0.00 57.88 57.75 3his h LEU 20 Cb 0.09 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 3his h LEU 20 CO -0.12 0.92 -0.14 0.50 0.09 0.00 0.00 178.44 179.68 3his h LYS 21 N 0.80 0.53 -0.73 1.13 3.64 -1.05 -1.80 116.57 119.08 3his h LYS 21 Ca 0.15 -0.16 0.01 0.00 -1.27 0.00 0.00 60.65 59.37 3his h LYS 21 Cb 0.51 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 32.25 3his h LYS 21 CO 0.03 0.66 0.48 1.96 -2.27 0.00 0.00 179.45 180.31 3his h GLN 22 N 0.48 0.97 -0.14 1.90 4.20 -0.50 0.11 115.11 122.13 3his h GLN 22 Ca 0.09 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.72 3his h GLN 22 Cb 0.54 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 28.09 3his h GLN 22 CO 0.03 0.65 0.04 -0.07 -0.67 0.00 0.00 178.83 178.81 3his h LEU 23 N 1.00 0.21 -0.58 1.46 3.38 -0.98 -1.31 115.31 118.49 3his h LEU 23 Ca 0.27 -0.22 0.04 0.00 0.09 0.00 0.00 57.88 58.06 3his h LEU 23 Cb -0.10 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 40.55 3his h LEU 23 CO -0.06 0.37 0.32 0.03 0.09 0.00 0.00 178.44 179.20 3his h ARG 24 N 0.04 0.61 0.00 1.13 3.08 -1.11 -2.55 114.38 115.57 3his h ARG 24 Ca 0.04 -0.04 -0.06 0.00 0.07 0.00 0.00 59.98 60.00 3his h ARG 24 Cb 0.24 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 3his h ARG 24 CO -0.00 0.40 -0.29 -0.44 -1.07 0.00 0.00 179.97 178.57 3his h ASP 25 N 0.63 0.00 -0.61 7.04 3.32 -0.67 -1.19 116.42 124.94 3his h ASP 25 Ca 0.25 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.22 3his h ASP 25 Cb 0.10 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.62 3his h ASP 25 CO -0.14 0.29 0.08 -0.78 -1.72 0.00 0.00 179.24 176.97 3his h ASP 26 N 0.00 1.00 0.00 6.45 3.58 -0.80 -3.32 116.42 123.33 3his h ASP 26 Ca -0.00 -0.24 0.00 0.00 0.42 0.00 0.00 57.03 57.21 3his h ASP 26 Cb 0.64 -0.27 0.00 0.00 1.72 0.00 0.00 39.33 41.42 3his h ASP 26 CO 0.04 1.01 -1.08 2.30 -2.88 0.00 0.00 179.24 178.63 3his n ILE 27 N -4.21 0.00 -2.16 2.25 -5.35 -1.06 -5.02 119.36 103.82 3his n ILE 27 Ca 0.04 -0.18 -0.35 0.00 -0.27 0.00 0.00 62.75 61.99 3his n ILE 27 Cb 0.30 0.75 0.01 0.00 -1.74 0.00 0.00 39.64 38.96 3his n ILE 27 CO 0.00 0.00 0.00 -1.59 -1.76 0.00 0.00 176.55 173.20 3his s LYS 28 N -2.77 3.23 0.29 6.28 -2.85 -0.48 -1.22 119.74 122.23 3his s LYS 28 Ca 0.03 1.60 -0.29 0.00 -1.00 0.00 0.00 55.97 56.30 3his s LYS 28 Cb 0.12 -1.99 -0.10 0.00 -2.06 0.00 0.00 37.83 33.81 3his s LYS 28 CO 0.70 -0.94 1.29 0.34 0.10 0.00 0.00 175.35 176.84 3his s ASP 29 N -1.88 6.86 0.57 0.03 -1.08 0.44 -4.43 116.67 117.18 3his s ASP 29 Ca 0.72 2.57 0.36 0.00 -0.52 0.00 0.00 52.55 55.68 3his s ASP 29 Cb -0.24 -2.64 1.65 0.00 -1.46 0.00 0.00 42.92 40.23 3his s ASP 29 CO 0.30 -0.49 2.08 1.55 0.52 0.00 0.00 175.17 179.13 3his h PRO 30 N 3.98 0.00 0.00 4.34 0.13 -1.95 -3.36 132.00 135.15 3his h PRO 30 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 3his h PRO 30 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 3his h PRO 30 CO 0.69 0.00 -0.64 -1.71 -0.23 0.00 0.00 178.00 176.11 3his n ASN 31 N -3.04 3.22 -4.73 1.44 5.15 -1.26 -5.08 115.26 110.96 3his n ASN 31 Ca -0.00 0.00 -0.42 0.00 -0.60 0.00 0.00 54.58 53.56 3his n ASN 31 Cb 0.23 0.45 -0.03 0.00 -0.53 0.00 0.00 39.78 39.90 3his n ASN 31 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 3his s LEU 32 N -2.53 4.40 0.08 1.20 2.96 -1.26 -5.04 118.68 118.49 3his s LEU 32 Ca 0.00 2.36 0.03 0.00 -0.22 0.00 0.00 54.13 56.30 3his s LEU 32 Cb 0.00 -3.60 -0.03 0.00 0.50 0.00 0.00 46.19 43.06 3his s LEU 32 CO 0.00 -0.57 -0.08 -1.00 -1.32 0.00 0.00 176.35 173.38 3his s HIS 33 N 0.49 0.89 -0.06 5.38 3.76 -1.26 -3.91 115.29 120.57 3his s HIS 33 Ca 0.59 -0.69 0.01 0.00 -0.15 0.00 0.00 55.06 54.82 3his s HIS 33 Cb -0.36 -0.51 -0.03 0.00 1.11 0.00 0.00 32.58 32.79 3his s HIS 33 CO 0.35 -0.07 -0.05 0.71 -0.85 0.00 0.00 174.74 174.83 3his s TYR 34 N -2.47 2.98 -1.75 1.40 2.02 -1.26 -4.76 117.35 113.51 3his s TYR 34 Ca 0.03 0.05 0.00 0.00 -0.37 0.00 0.00 57.07 56.78 3his s TYR 34 Cb -0.03 -1.71 0.00 0.00 -0.40 0.00 0.00 41.96 39.82 3his s TYR 34 CO -0.01 0.37 0.00 0.41 -1.57 0.00 0.00 175.55 174.75 3his n GLY 35 N 2.10 0.79 2.20 0.71 0.00 -0.90 -1.71 105.19 108.38 3his n GLY 35 Ca -0.18 -0.14 -0.02 0.00 0.00 0.00 0.00 46.02 45.68 3his n GLY 35 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3his n GLY 36 N -0.87 0.54 3.98 -0.02 0.00 -1.26 -0.61 105.19 106.94 3his n GLY 36 Ca -0.20 -0.35 -0.22 0.00 0.00 0.00 0.00 46.02 45.26 3his n GLY 36 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3his s THR 37 N -1.94 2.52 -1.93 2.61 -4.23 -0.69 -4.69 115.64 107.29 3his s THR 37 Ca 0.00 -0.67 0.19 0.00 -1.18 0.00 0.00 61.69 60.04 3his s THR 37 Cb 0.00 -2.85 0.41 0.00 1.34 0.00 0.00 72.50 71.39 3his s THR 37 CO 0.00 0.00 1.34 -3.20 -0.54 0.00 0.00 174.62 172.22 3his n ASN 38 N -2.45 3.30 -4.81 3.99 5.15 -1.26 -4.50 115.26 114.67 3his n ASN 38 Ca 0.10 -1.94 -0.33 0.00 -0.60 0.00 0.00 54.58 51.81 3his n ASN 38 Cb 0.60 -0.27 -0.04 0.00 -0.53 0.00 0.00 39.78 39.54 3his n ASN 38 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3his s LEU 39 N -1.22 3.82 0.70 1.20 1.43 -1.26 -5.04 118.68 118.31 3his s LEU 39 Ca 0.35 1.79 -0.11 0.00 -1.03 0.00 0.00 54.13 55.13 3his s LEU 39 Cb 0.20 -4.54 0.01 0.00 0.03 0.00 0.00 46.19 41.88 3his s LEU 39 CO 0.27 -0.64 1.06 -2.16 0.23 0.00 0.00 176.35 175.11 3his s PRO 40 N -3.39 2.93 -0.02 1.29 0.04 -1.26 -4.59 135.00 130.00 3his s PRO 40 Ca 0.64 0.94 0.03 0.00 0.04 0.00 0.00 61.00 62.66 3his s PRO 40 Cb -0.13 -1.99 -0.00 0.00 0.04 0.00 0.00 34.50 32.42 3his s PRO 40 CO 0.20 -1.10 -0.12 0.08 0.04 0.00 0.00 177.00 176.11 3his s VAL 41 N -3.05 0.97 0.35 -0.36 1.01 -1.25 -1.29 120.40 116.78 3his s VAL 41 Ca 0.58 -0.49 -0.29 0.00 0.00 0.00 0.00 61.98 61.79 3his s VAL 41 Cb -0.14 -0.84 -0.11 0.00 0.00 0.00 0.00 36.38 35.29 3his s VAL 41 CO 0.55 0.29 1.48 -0.63 0.00 0.00 0.00 175.10 176.79 3his s ILE 42 N -0.00 2.18 0.44 2.22 1.01 -0.51 -0.42 121.20 126.12 3his s ILE 42 Ca -0.01 0.17 -0.24 0.00 0.00 0.00 0.00 60.65 60.58 3his s ILE 42 Cb -0.08 -3.11 -0.08 0.00 0.01 0.00 0.00 42.46 39.20 3his s ILE 42 CO 0.00 0.04 1.17 -0.75 0.00 0.00 0.00 174.94 175.41 3his s LYS 43 N -1.68 3.83 -0.06 2.79 2.20 -0.35 -4.28 119.74 122.18 3his s LYS 43 Ca 0.54 1.81 -0.03 0.00 -0.36 0.00 0.00 55.97 57.94 3his s LYS 43 Cb -0.46 -2.48 0.04 0.00 -1.51 0.00 0.00 37.83 33.42 3his s LYS 43 CO 0.58 -0.50 0.11 0.50 -0.36 0.00 0.00 175.35 175.68 3his s ARG 44 N -2.59 -0.01 0.46 4.03 3.52 -1.26 -2.53 118.95 120.56 3his s ARG 44 Ca 0.62 0.47 -0.23 0.00 -0.13 0.00 0.00 55.73 56.45 3his s ARG 44 Cb -0.30 -0.37 -0.07 0.00 -1.56 0.00 0.00 34.95 32.65 3his s ARG 44 CO 0.36 -0.31 1.20 -2.14 -0.81 0.00 0.00 175.30 173.60 3his s PRO 45 N 2.16 3.75 0.28 5.12 0.02 -1.26 -5.10 135.00 139.97 3his s PRO 45 Ca 0.03 1.86 0.16 0.00 0.02 0.00 0.00 61.00 63.07 3his s PRO 45 Cb -0.12 -2.46 0.08 0.00 0.02 0.00 0.00 34.50 32.02 3his s PRO 45 CO -0.05 -0.58 1.41 -0.24 -0.33 0.00 0.00 177.00 177.22 3his h VAL 46 N 1.94 0.73 -2.01 3.83 3.04 -1.87 -3.48 116.25 118.43 3his h VAL 46 Ca -0.49 -2.05 0.00 0.00 -1.01 0.00 0.00 66.70 63.15 3his h VAL 46 Cb 1.25 2.33 0.00 0.00 -2.01 0.00 0.00 31.29 32.87 3his h VAL 46 CO 0.60 0.41 0.00 0.61 -1.01 0.00 0.00 177.57 178.19 3his n GLY 47 N 1.22 5.77 3.68 3.17 0.00 -1.26 -4.82 105.19 112.95 3his n GLY 47 Ca 0.01 -1.71 -0.30 0.00 0.00 0.00 0.00 46.02 44.03 3his n GLY 47 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3his s PRO 48 N 0.34 1.05 0.72 1.61 0.04 -1.26 -5.05 135.00 132.44 3his s PRO 48 Ca 0.00 1.06 -0.09 0.00 0.04 0.00 0.00 61.00 62.01 3his s PRO 48 Cb 0.00 -1.77 0.05 0.00 0.04 0.00 0.00 34.50 32.82 3his s PRO 48 CO 0.00 -2.45 1.06 -1.25 0.04 0.00 0.00 177.00 174.40 3his s PRO 49 N -4.79 2.40 0.13 0.56 0.04 -1.26 -5.10 135.00 126.97 3his s PRO 49 Ca 0.65 0.05 -0.01 0.00 0.04 0.00 0.00 61.00 61.73 3his s PRO 49 Cb -0.20 -2.09 -0.12 0.00 0.04 0.00 0.00 34.50 32.13 3his s PRO 49 CO 0.58 -1.20 1.29 -0.22 0.04 0.00 0.00 177.00 177.48 3his h LYS 50 N -0.67 0.27 -5.90 4.56 3.64 -1.96 -3.45 116.57 113.05 3his h LYS 50 Ca -0.45 -0.34 -0.52 0.00 -1.27 0.00 0.00 60.65 58.07 3his h LYS 50 Cb 1.30 0.11 -0.16 0.00 -0.41 0.00 0.00 32.23 33.06 3his h LYS 50 CO 0.63 1.07 -0.76 -0.06 -2.27 0.00 0.00 179.45 178.06 3his s PHE 51 N -3.05 1.90 0.35 1.91 0.40 -1.26 -1.02 117.98 117.20 3his s PHE 51 Ca -0.04 -0.47 0.08 0.00 -0.60 0.00 0.00 56.93 55.90 3his s PHE 51 Cb 0.09 -0.90 -0.07 0.00 0.51 0.00 0.00 43.02 42.65 3his s PHE 51 CO 0.85 0.42 -0.05 -0.48 0.70 0.00 0.00 175.22 176.67 3his s LEU 52 N -3.04 2.67 -0.11 -0.37 0.05 -0.07 -4.73 118.68 113.08 3his s LEU 52 Ca 0.21 -1.26 -0.01 0.00 0.05 0.00 0.00 54.13 53.12 3his s LEU 52 Cb -0.04 -0.84 -0.03 0.00 -2.05 0.00 0.00 46.19 43.23 3his s LEU 52 CO 0.08 -0.34 -0.06 -0.60 -0.55 0.00 0.00 176.35 174.89 3his s ARG 53 N -3.69 3.21 -0.14 1.48 3.52 -0.66 -1.04 118.95 121.63 3his s ARG 53 Ca 0.33 -0.55 -0.02 0.00 -0.13 0.00 0.00 55.73 55.36 3his s ARG 53 Cb 0.05 -2.74 -0.02 0.00 -1.56 0.00 0.00 34.95 30.68 3his s ARG 53 CO 0.16 0.44 -0.07 0.08 -0.81 0.00 0.00 175.30 175.10 3his s VAL 54 N -0.20 3.62 -0.24 7.11 1.01 -0.44 -1.37 120.40 129.89 3his s VAL 54 Ca 0.03 -0.46 -0.09 0.00 0.00 0.00 0.00 61.98 61.46 3his s VAL 54 Cb -0.13 -2.56 -0.04 0.00 0.00 0.00 0.00 36.38 33.65 3his s VAL 54 CO 0.03 0.51 0.11 0.20 0.00 0.00 0.00 175.10 175.94 3his s ASN 55 N 0.27 5.56 -0.35 3.32 0.01 0.21 -0.40 114.94 123.56 3his s ASN 55 Ca -0.05 -0.06 -0.12 0.00 -0.71 0.00 0.00 52.86 51.92 3his s ASN 55 Cb -0.14 -2.00 0.00 0.00 0.41 0.00 0.00 41.25 39.52 3his s ASN 55 CO 0.04 0.02 0.21 -0.76 -1.51 0.00 0.00 177.10 175.09 3his s LEU 56 N 1.33 4.53 -0.01 0.60 1.43 0.30 -0.87 118.68 126.00 3his s LEU 56 Ca 0.06 -0.69 -0.17 0.00 -1.03 0.00 0.00 54.13 52.30 3his s LEU 56 Cb -0.15 -2.06 -0.06 0.00 0.03 0.00 0.00 46.19 43.95 3his s LEU 56 CO 0.05 -0.30 0.47 -0.54 0.23 0.00 0.00 176.35 176.26 3his s LYS 57 N 1.63 4.10 0.29 1.70 1.02 -0.45 -1.45 119.74 126.59 3his s LYS 57 Ca 0.04 0.51 0.01 0.00 0.02 0.00 0.00 55.97 56.55 3his s LYS 57 Cb -0.18 -3.28 -0.02 0.00 -0.52 0.00 0.00 37.83 33.83 3his s LYS 57 CO 0.08 0.54 0.31 0.00 -0.92 0.00 0.00 175.35 175.37 3his s ALA 58 N -0.66 1.20 0.17 5.17 0.00 -1.03 -1.07 121.76 125.54 3his s ALA 58 Ca 0.26 -1.72 -0.14 0.00 0.00 0.00 0.00 51.96 50.35 3his s ALA 58 Cb -0.17 1.33 0.09 0.00 0.00 0.00 0.00 23.12 24.38 3his s ALA 58 CO 0.14 -0.70 1.80 1.03 0.00 0.00 0.00 175.76 178.03 3his h SER 59 N 2.27 0.40 1.69 0.00 0.87 -1.98 -3.09 113.55 113.70 3his h SER 59 Ca -0.29 0.01 -0.06 0.00 -1.23 0.00 0.00 61.79 60.23 3his h SER 59 Cb 1.24 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 63.12 3his h SER 59 CO 0.41 0.28 -0.31 0.00 -0.53 0.00 0.00 176.83 176.69 3his h THR 60 N 0.52 0.46 0.00 2.23 1.03 -1.97 -3.48 112.91 111.70 3his h THR 60 Ca 0.20 -1.66 0.00 0.00 -0.01 0.00 0.00 66.41 64.94 3his h THR 60 Cb 0.06 2.22 0.00 0.00 -1.07 0.00 0.00 68.15 69.36 3his h THR 60 CO -0.11 0.26 0.00 0.61 -0.01 0.00 0.00 175.52 176.27 3his n GLY 61 N 1.17 -0.19 3.80 2.99 0.00 -1.17 -4.99 105.19 106.81 3his n GLY 61 Ca 0.03 -1.09 -0.36 0.00 0.00 0.00 0.00 46.02 44.60 3his n GLY 61 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3his s THR 62 N -2.00 5.45 -0.14 2.61 2.01 -1.26 -2.45 115.64 119.85 3his s THR 62 Ca 0.00 0.22 -0.05 0.00 0.31 0.00 0.00 61.69 62.18 3his s THR 62 Cb 0.00 -3.45 -0.03 0.00 0.01 0.00 0.00 72.50 69.03 3his s THR 62 CO 0.00 0.53 0.02 -0.69 -0.69 0.00 0.00 174.62 173.79 3his s VAL 63 N -0.34 4.41 0.22 3.82 1.01 -0.53 -4.73 120.40 124.26 3his s VAL 63 Ca 0.12 -0.19 0.10 0.00 0.00 0.00 0.00 61.98 62.01 3his s VAL 63 Cb -0.12 -2.92 -0.04 0.00 0.00 0.00 0.00 36.38 33.29 3his s VAL 63 CO 0.01 0.52 -0.13 -0.44 0.00 0.00 0.00 175.10 175.07 3his s SER 64 N -0.10 4.01 0.10 3.32 0.01 -0.53 -0.54 113.70 119.98 3his s SER 64 Ca 0.05 -0.74 0.09 0.00 1.31 0.00 0.00 55.95 56.65 3his s SER 64 Cb -0.13 -0.57 -0.03 0.00 0.21 0.00 0.00 66.02 65.50 3his s SER 64 CO 0.02 0.07 -0.22 -0.76 0.41 0.00 0.00 173.24 172.76 3his s LEU 65 N -3.10 2.29 -0.28 2.44 1.43 0.46 -0.59 118.68 121.32 3his s LEU 65 Ca 0.26 -0.68 -0.11 0.00 -1.03 0.00 0.00 54.13 52.57 3his s LEU 65 Cb -0.07 -0.96 -0.05 0.00 0.03 0.00 0.00 46.19 45.14 3his s LEU 65 CO 0.15 0.09 0.21 0.00 0.23 0.00 0.00 176.35 177.03 3his s ALA 66 N -1.10 3.53 -0.16 4.21 0.00 -0.28 -1.32 121.76 126.64 3his s ALA 66 Ca 0.08 -1.09 -0.00 0.00 0.00 0.00 0.00 51.96 50.95 3his s ALA 66 Cb -0.10 -2.52 -0.00 0.00 0.00 0.00 0.00 23.12 20.50 3his s ALA 66 CO 0.04 -0.60 -0.14 0.08 0.00 0.00 0.00 175.76 175.14 3his s VAL 67 N 1.78 2.72 0.05 0.00 1.01 -0.21 -0.41 120.40 125.35 3his s VAL 67 Ca 0.08 -0.75 -0.31 0.00 0.00 0.00 0.00 61.98 61.00 3his s VAL 67 Cb -0.16 -2.16 -0.06 0.00 0.00 0.00 0.00 36.38 34.01 3his s VAL 67 CO 0.11 0.51 1.24 -1.58 0.00 0.00 0.00 175.10 175.38 3his s GLN 68 N 0.86 4.40 0.27 2.72 0.74 0.41 -0.89 119.66 128.17 3his s GLN 68 Ca -0.04 1.82 0.14 0.00 0.05 0.00 0.00 55.36 57.33 3his s GLN 68 Cb -0.15 -3.37 0.23 0.00 1.10 0.00 0.00 33.01 30.81 3his s GLN 68 CO -0.01 -0.33 1.52 0.00 -0.55 0.00 0.00 175.29 175.92 3his h ARG 69 N 6.95 0.00 0.00 1.67 3.08 -1.39 0.17 114.38 124.86 3his h ARG 69 Ca -0.41 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 59.58 3his h ARG 69 Cb 1.21 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.25 3his h ARG 69 CO 0.83 0.59 -0.28 0.66 -1.07 0.00 0.00 179.97 180.70 3his h SER 70 N 0.00 0.00 0.00 7.04 4.64 -1.92 -3.37 113.55 119.94 3his h SER 70 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3his h SER 70 Cb 1.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 3his h SER 70 CO 0.08 0.28 0.00 -0.46 -0.87 0.00 0.00 176.83 175.86 3his n ASN 71 N -3.55 0.00 -0.24 4.97 2.04 -1.21 -4.80 115.26 112.47 3his n ASN 71 Ca -0.01 -1.00 -0.03 0.00 -0.44 0.00 0.00 54.58 53.10 3his n ASN 71 Cb 0.43 0.00 -0.01 0.00 -2.53 0.00 0.00 39.78 37.66 3his n ASN 71 CO 0.00 0.00 0.00 0.18 -0.44 0.00 0.00 177.26 177.00 3his n LEU 72 N 0.00 0.31 -4.75 -4.53 4.77 0.58 -4.99 117.00 108.40 3his n LEU 72 Ca 0.00 0.08 -0.40 0.00 -0.03 0.00 0.00 56.01 55.66 3his n LEU 72 Cb 0.38 -1.95 -0.06 0.00 -2.33 0.00 0.00 43.42 39.47 3his n LEU 72 CO 0.00 -0.71 0.68 -0.31 -1.33 0.00 0.00 177.39 175.72 3his s TYR 73 N -1.57 3.90 -0.03 -1.77 2.02 -1.24 -4.42 117.35 114.23 3his s TYR 73 Ca 0.00 1.87 -0.30 0.00 -0.37 0.00 0.00 57.07 58.27 3his s TYR 73 Cb 0.00 -3.05 -0.03 0.00 -0.40 0.00 0.00 41.96 38.48 3his s TYR 73 CO 0.00 0.23 1.07 0.08 -1.57 0.00 0.00 175.55 175.37 3his s VAL 74 N -1.10 4.57 -0.15 0.71 1.01 -1.26 -0.44 120.40 123.74 3his s VAL 74 Ca 0.42 1.85 0.16 0.00 0.00 0.00 0.00 61.98 64.41 3his s VAL 74 Cb -0.27 -4.19 -0.24 0.00 0.00 0.00 0.00 36.38 31.68 3his s VAL 74 CO 0.34 0.07 0.27 0.00 0.00 0.00 0.00 175.10 175.78 3his n ALA 75 N 4.50 1.49 -3.51 5.51 0.00 0.46 -4.93 120.51 124.03 3his n ALA 75 Ca 0.08 -1.13 -0.10 0.00 0.00 0.00 0.00 53.44 52.29 3his n ALA 75 Cb 0.49 -0.41 -0.03 0.00 0.00 0.00 0.00 19.45 19.49 3his n ALA 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3his s ALA 76 N -2.53 -1.83 0.17 0.00 0.00 -1.24 -1.90 121.76 114.43 3his s ALA 76 Ca -0.09 1.13 0.05 0.00 0.00 0.00 0.00 51.96 53.05 3his s ALA 76 Cb 0.07 0.17 -0.05 0.00 0.00 0.00 0.00 23.12 23.31 3his s ALA 76 CO 0.82 -0.59 -0.11 1.52 0.00 0.00 0.00 175.76 177.41 3his s TYR 77 N -2.58 1.43 -0.11 0.00 1.13 -0.16 -1.12 117.35 115.94 3his s TYR 77 Ca 0.02 -0.72 0.01 0.00 -1.41 0.00 0.00 57.07 54.97 3his s TYR 77 Cb -0.01 -0.72 0.02 0.00 -1.10 0.00 0.00 41.96 40.15 3his s TYR 77 CO -0.06 0.16 -0.11 -1.17 -2.51 0.00 0.00 175.55 171.86 3his s LEU 78 N -3.23 1.47 -0.02 -3.49 2.96 0.24 -0.69 118.68 115.93 3his s LEU 78 Ca 0.20 -0.37 -0.17 0.00 -0.22 0.00 0.00 54.13 53.57 3his s LEU 78 Cb 0.02 -0.97 0.03 0.00 0.50 0.00 0.00 46.19 45.77 3his s LEU 78 CO 0.03 -0.06 0.35 0.00 -1.32 0.00 0.00 176.35 175.36 3his s ALA 79 N 1.38 -0.90 0.40 5.97 0.00 -0.58 -1.45 121.76 126.58 3his s ALA 79 Ca 0.00 0.46 -0.25 0.00 0.00 0.00 0.00 51.96 52.17 3his s ALA 79 Cb -0.13 0.05 -0.08 0.00 0.00 0.00 0.00 23.12 22.95 3his s ALA 79 CO -0.06 -0.27 1.17 0.15 0.00 0.00 0.00 175.76 176.75 3his s LYS 80 N -1.28 4.04 0.00 0.00 1.02 -1.26 -1.38 119.74 120.89 3his s LYS 80 Ca -0.13 1.83 0.00 0.00 0.02 0.00 0.00 55.97 57.70 3his s LYS 80 Cb -0.05 -2.66 0.00 0.00 -0.52 0.00 0.00 37.83 34.60 3his s LYS 80 CO 0.05 -0.33 0.00 0.27 -0.92 0.00 0.00 175.35 174.42 3his n ASN 81 N 0.05 0.00 -0.11 2.83 0.23 0.05 -0.74 115.26 117.57 3his n ASN 81 Ca 0.04 -0.83 0.05 0.00 -0.53 0.00 0.00 54.58 53.31 3his n ASN 81 Cb 0.47 0.00 0.37 0.00 -2.08 0.00 0.00 39.78 38.54 3his n ASN 81 CO 0.00 0.00 0.00 -1.13 -0.93 0.00 0.00 177.26 175.20 3his h ASN 82 N 0.00 0.60 -0.08 0.53 -1.24 -1.74 -0.65 115.58 113.00 3his h ASN 82 Ca 0.00 -0.01 0.00 0.00 0.71 0.00 0.00 56.30 57.00 3his h ASN 82 Cb 0.00 -0.14 0.00 0.00 0.73 0.00 0.00 38.32 38.91 3his h ASN 82 CO 0.00 0.41 0.00 -3.20 -1.29 0.00 0.00 177.43 173.35 3his n ASN 83 N -4.46 0.65 -1.91 1.15 5.15 -1.26 -4.87 115.26 109.70 3his n ASN 83 Ca 0.07 -1.66 -0.17 0.00 -0.60 0.00 0.00 54.58 52.21 3his n ASN 83 Cb 0.13 -0.05 -0.02 0.00 -0.53 0.00 0.00 39.78 39.31 3his n ASN 83 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 3his n LYS 84 N -0.30 -1.38 -3.87 1.20 4.76 -0.25 -5.00 118.16 113.32 3his n LYS 84 Ca 0.12 0.88 -0.36 0.00 -2.87 0.00 0.00 58.31 56.08 3his n LYS 84 Cb 0.15 -5.33 -0.07 0.00 -1.84 0.00 0.00 35.03 27.94 3his n LYS 84 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 3his s GLN 85 N -4.70 3.72 0.31 1.97 -0.21 -1.26 -4.77 119.66 114.72 3his s GLN 85 Ca 0.00 -0.20 -0.29 0.00 0.02 0.00 0.00 55.36 54.89 3his s GLN 85 Cb 0.00 -3.25 -0.10 0.00 1.00 0.00 0.00 33.01 30.66 3his s GLN 85 CO 0.00 0.57 1.24 -0.06 -2.12 0.00 0.00 175.29 174.91 3his s PHE 86 N -0.42 3.24 -0.00 0.91 0.08 -1.26 -0.77 117.98 119.76 3his s PHE 86 Ca 0.11 1.50 -0.00 0.00 0.12 0.00 0.00 56.93 58.66 3his s PHE 86 Cb -0.12 -3.54 0.00 0.00 -0.57 0.00 0.00 43.02 38.80 3his s PHE 86 CO 0.01 -1.41 0.01 0.50 -0.10 0.00 0.00 175.22 174.23 3his s ARG 87 N -1.57 0.01 -0.09 0.44 3.52 -0.48 -4.75 118.95 116.02 3his s ARG 87 Ca 0.48 0.02 -0.04 0.00 -0.13 0.00 0.00 55.73 56.06 3his s ARG 87 Cb -0.37 -0.01 -0.04 0.00 -1.56 0.00 0.00 34.95 32.98 3his s ARG 87 CO 0.48 -0.01 0.08 0.00 -0.81 0.00 0.00 175.30 175.04 3his s ALA 88 N 0.05 3.62 -0.06 6.12 0.00 -0.49 -1.52 121.76 129.48 3his s ALA 88 Ca -0.00 -0.74 0.01 0.00 0.00 0.00 0.00 51.96 51.24 3his s ALA 88 Cb -0.01 -1.73 0.02 0.00 0.00 0.00 0.00 23.12 21.40 3his s ALA 88 CO -0.00 0.62 -0.09 0.71 0.00 0.00 0.00 175.76 177.00 3his s TYR 89 N -1.01 1.23 0.08 0.00 1.51 0.14 -0.52 117.35 118.79 3his s TYR 89 Ca 0.16 -0.45 0.09 0.00 -1.01 0.00 0.00 57.07 55.86 3his s TYR 89 Cb -0.12 -0.96 -0.03 0.00 -0.11 0.00 0.00 41.96 40.74 3his s TYR 89 CO 0.05 -0.28 -0.24 1.52 -1.11 0.00 0.00 175.55 175.49 3his s TYR 90 N 0.89 2.11 0.46 2.71 1.13 -0.72 -0.98 117.35 122.95 3his s TYR 90 Ca -0.11 -0.40 -0.25 0.00 -1.41 0.00 0.00 57.07 54.91 3his s TYR 90 Cb -0.15 -1.20 -0.08 0.00 -1.10 0.00 0.00 41.96 39.43 3his s TYR 90 CO 0.01 0.20 1.41 -0.06 -2.51 0.00 0.00 175.55 174.61 3his s PHE 91 N -0.96 2.45 0.19 -3.49 0.08 -0.80 -0.51 117.98 114.95 3his s PHE 91 Ca 0.11 1.28 -0.32 0.00 0.12 0.00 0.00 56.93 58.11 3his s PHE 91 Cb -0.10 -3.90 -0.12 0.00 -0.57 0.00 0.00 43.02 38.33 3his s PHE 91 CO 0.04 -2.91 1.70 1.17 -0.10 0.00 0.00 175.22 175.12 3his n LYS 92 N -0.29 2.63 -0.20 0.44 4.81 -0.63 -1.81 118.16 123.11 3his n LYS 92 Ca 0.06 0.95 0.00 0.00 -0.87 0.00 0.00 58.31 58.45 3his n LYS 92 Cb 0.42 -2.78 0.00 0.00 0.02 0.00 0.00 35.03 32.69 3his n LYS 92 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3his n GLY 93 N 3.85 2.42 3.75 3.14 0.00 -1.26 -4.29 105.19 112.80 3his n GLY 93 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 3his n GLY 93 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3his s PHE 94 N -3.14 3.23 -1.09 1.61 2.19 -0.75 -4.91 117.98 115.12 3his s PHE 94 Ca 0.00 1.30 -0.22 0.00 0.33 0.00 0.00 56.93 58.34 3his s PHE 94 Cb 0.00 -3.60 0.05 0.00 -1.31 0.00 0.00 43.02 38.16 3his s PHE 94 CO 0.00 -1.79 1.57 -0.65 1.83 0.00 0.00 175.22 176.17 3his s GLN 95 N -0.60 3.61 -0.06 10.12 -1.52 -1.26 -4.89 119.66 125.06 3his s GLN 95 Ca 0.54 -1.30 -0.04 0.00 -1.95 0.00 0.00 55.36 52.61 3his s GLN 95 Cb -0.37 -5.39 0.03 0.00 -0.22 0.00 0.00 33.01 27.06 3his s GLN 95 CO 0.42 -2.33 0.14 -1.50 -0.25 0.00 0.00 175.29 171.77 3his s ILE 96 N 5.22 -0.03 0.38 1.08 2.07 -1.26 -5.14 121.20 123.52 3his s ILE 96 Ca 0.50 0.10 0.04 0.00 -1.41 0.00 0.00 60.65 59.88 3his s ILE 96 Cb 0.01 -0.22 -0.01 0.00 0.13 0.00 0.00 42.46 42.37 3his s ILE 96 CO -0.04 0.04 0.56 0.42 -1.91 0.00 0.00 174.94 174.01 3his s THR 97 N 0.68 4.05 0.21 4.00 -4.23 -1.26 -4.96 115.64 114.13 3his s THR 97 Ca -0.05 -0.78 -0.09 0.00 -1.18 0.00 0.00 61.69 59.59 3his s THR 97 Cb -0.07 -3.44 0.14 0.00 1.34 0.00 0.00 72.50 70.47 3his s THR 97 CO -0.03 -0.23 1.78 0.74 -0.54 0.00 0.00 174.62 176.34 3his h THR 98 N 0.67 0.88 -0.87 3.99 2.02 -2.00 0.19 112.91 117.80 3his h THR 98 Ca -0.46 -0.20 -0.02 0.00 0.77 0.00 0.00 66.41 66.50 3his h THR 98 Cb 1.25 0.26 -0.04 0.00 -1.74 0.00 0.00 68.15 67.89 3his h THR 98 CO 0.55 0.10 0.47 0.78 0.37 0.00 0.00 175.52 177.79 3his h ASN 99 N 0.57 1.10 -0.29 4.18 2.35 -1.99 0.18 115.58 121.68 3his h ASN 99 Ca 0.31 -0.11 -0.02 0.00 -0.55 0.00 0.00 56.30 55.93 3his h ASN 99 Cb 0.28 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.36 3his h ASN 99 CO -0.23 0.89 0.10 1.56 -1.65 0.00 0.00 177.43 178.10 3his h GLN 100 N 1.22 0.45 -0.74 0.81 4.20 -1.76 -1.94 115.11 117.34 3his h GLN 100 Ca 0.31 -0.09 0.02 0.00 0.06 0.00 0.00 58.65 58.94 3his h GLN 100 Cb 0.04 -0.07 -0.04 0.00 0.30 0.00 0.00 27.48 27.72 3his h GLN 100 CO -0.05 0.48 0.49 -0.07 -0.67 0.00 0.00 178.83 179.01 3his h LEU 101 N 0.32 0.82 -1.14 1.46 3.38 -0.54 -0.19 115.31 119.42 3his h LEU 101 Ca 0.10 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.99 3his h LEU 101 Cb 0.21 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 3his h LEU 101 CO -0.01 0.59 0.02 0.78 0.09 0.00 0.00 178.44 179.91 3his h ASN 102 N 0.97 0.58 0.27 -0.43 2.35 -0.21 0.54 115.58 119.64 3his h ASN 102 Ca 0.28 -0.11 -0.34 0.00 -0.55 0.00 0.00 56.30 55.58 3his h ASN 102 Cb -0.06 -0.15 0.04 0.00 0.05 0.00 0.00 38.32 38.20 3his h ASN 102 CO -0.07 0.64 -1.47 0.78 -1.65 0.00 0.00 177.43 175.66 3his h ASN 103 N 0.59 0.85 -0.45 5.81 2.35 -0.77 -3.07 115.58 120.88 3his h ASN 103 Ca 0.12 -0.90 -0.07 0.00 -0.55 0.00 0.00 56.30 54.90 3his h ASN 103 Cb 0.35 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.43 3his h ASN 103 CO 0.01 1.70 -0.01 -0.07 -1.65 0.00 0.00 177.43 177.42 3his h LEU 104 N 0.15 0.79 -6.31 1.61 3.38 -0.96 -3.38 115.31 110.59 3his h LEU 104 Ca -0.25 -0.31 -0.59 0.00 0.09 0.00 0.00 57.88 56.81 3his h LEU 104 Cb 2.16 -0.21 -0.41 0.00 0.09 0.00 0.00 40.66 42.29 3his h LEU 104 CO 0.28 0.91 -0.76 0.49 0.09 0.00 0.00 178.44 179.44 3his n PHE 105 N -4.37 2.09 0.31 1.13 3.72 0.17 -4.93 117.46 115.58 3his n PHE 105 Ca 0.00 -3.95 0.20 0.00 -0.05 0.00 0.00 57.45 53.65 3his n PHE 105 Cb 0.31 -0.44 1.05 0.00 -0.94 0.00 0.00 39.48 39.46 3his n PHE 105 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 3his h PRO 106 N 4.48 0.00 0.00 -1.08 0.11 -1.72 -0.01 132.00 133.78 3his h PRO 106 Ca 0.16 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.27 3his h PRO 106 Cb 0.76 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.87 3his h PRO 106 CO 0.67 0.00 -0.04 0.93 -0.21 0.00 0.00 178.00 179.35 3his h GLU 107 N 0.00 0.00 -1.90 1.05 3.07 -1.91 -3.22 114.58 111.67 3his h GLU 107 Ca 0.01 0.00 -0.52 0.00 -0.50 0.00 0.00 59.36 58.35 3his h GLU 107 Cb 0.18 0.00 -0.41 0.00 -0.84 0.00 0.00 28.75 27.68 3his h GLU 107 CO -0.00 0.04 -0.93 0.00 -1.40 0.00 0.00 179.01 176.72 3his n ALA 108 N -2.19 3.61 -1.76 3.43 0.00 -0.02 -4.65 120.51 118.93 3his n ALA 108 Ca -0.02 -3.97 -0.39 0.00 0.00 0.00 0.00 53.44 49.06 3his n ALA 108 Cb 0.17 -0.80 -0.05 0.00 0.00 0.00 0.00 19.45 18.76 3his n ALA 108 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3his s THR 109 N -3.71 3.86 0.00 0.00 2.01 -1.22 -4.63 115.64 111.95 3his s THR 109 Ca 0.43 1.76 0.00 0.00 0.31 0.00 0.00 61.69 64.18 3his s THR 109 Cb 0.35 -4.08 0.00 0.00 0.01 0.00 0.00 72.50 68.78 3his s THR 109 CO -0.10 0.34 0.00 0.61 -0.69 0.00 0.00 174.62 174.78 3his n GLY 110 N 1.10 -0.58 0.28 4.40 0.00 -1.26 -4.41 105.19 104.71 3his n GLY 110 Ca -0.00 -1.57 0.12 0.00 0.00 0.00 0.00 46.02 44.57 3his n GLY 110 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3his h VAL 111 N 0.00 0.69 0.00 1.61 -1.51 -1.90 -1.96 116.25 113.18 3his h VAL 111 Ca 0.00 -0.17 0.00 0.00 -1.23 0.00 0.00 66.70 65.30 3his h VAL 111 Cb 0.00 1.10 0.00 0.00 -2.13 0.00 0.00 31.29 30.26 3his h VAL 111 CO 0.00 0.04 0.00 0.77 -1.23 0.00 0.00 177.57 177.15 3his h SER 112 N 0.00 0.00 -0.27 4.19 4.64 -1.96 -2.41 113.55 117.75 3his h SER 112 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3his h SER 112 Cb 0.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 3his h SER 112 CO 0.01 0.00 0.00 0.59 -0.87 0.00 0.00 176.83 176.56 3his n ASN 113 N -2.81 3.17 -3.89 4.97 3.02 -0.74 -4.97 115.26 114.01 3his n ASN 113 Ca -0.00 -2.42 -0.23 0.00 -0.03 0.00 0.00 54.58 51.90 3his n ASN 113 Cb 0.19 -0.33 -0.17 0.00 -0.61 0.00 0.00 39.78 38.86 3his n ASN 113 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 3his s GLN 114 N -1.74 1.10 -0.07 3.52 -0.21 -0.91 -1.39 119.66 119.95 3his s GLN 114 Ca 0.28 -0.14 0.03 0.00 0.02 0.00 0.00 55.36 55.55 3his s GLN 114 Cb 0.20 -1.16 0.01 0.00 1.00 0.00 0.00 33.01 33.06 3his s GLN 114 CO 0.11 -0.17 -0.15 -1.14 -2.12 0.00 0.00 175.29 171.83 3his s GLN 115 N 1.35 2.00 -0.03 2.91 0.74 0.33 -4.87 119.66 122.09 3his s GLN 115 Ca -0.03 -0.52 -0.30 0.00 0.05 0.00 0.00 55.36 54.56 3his s GLN 115 Cb -0.14 -1.61 -0.03 0.00 1.10 0.00 0.00 33.01 32.34 3his s GLN 115 CO -0.03 0.06 1.07 -2.00 -0.55 0.00 0.00 175.29 173.84 3his s GLU 116 N 0.60 4.46 0.68 1.67 2.12 -1.26 -1.75 118.70 125.21 3his s GLU 116 Ca -0.15 1.53 -0.15 0.00 0.36 0.00 0.00 54.97 56.56 3his s GLU 116 Cb -0.16 -3.48 0.01 0.00 0.26 0.00 0.00 34.13 30.75 3his s GLU 116 CO 0.05 -0.24 1.12 -0.51 -0.54 0.00 0.00 175.26 175.13 3his s LEU 117 N 1.55 3.35 0.00 2.70 1.43 0.34 -4.91 118.68 123.15 3his s LEU 117 Ca 0.53 2.03 0.23 0.00 -1.03 0.00 0.00 54.13 55.89 3his s LEU 117 Cb -0.22 -4.55 1.12 0.00 0.03 0.00 0.00 46.19 42.56 3his s LEU 117 CO 0.24 -1.75 1.75 0.61 0.23 0.00 0.00 176.35 177.44 3his n GLY 118 N -0.46 -1.11 3.19 -3.19 0.00 -1.26 -3.71 105.19 98.64 3his n GLY 118 Ca 0.11 -0.10 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 3his n GLY 118 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3his s TYR 119 N -2.68 1.20 0.47 1.61 1.13 -1.26 -4.92 117.35 112.89 3his s TYR 119 Ca 0.19 -0.57 -0.03 0.00 -1.41 0.00 0.00 57.07 55.25 3his s TYR 119 Cb 0.15 -0.65 0.10 0.00 -1.10 0.00 0.00 41.96 40.46 3his s TYR 119 CO 0.37 0.06 0.65 0.41 -2.51 0.00 0.00 175.55 174.53 3his n GLY 120 N 0.76 -0.00 0.05 5.49 0.00 -1.26 -1.60 105.19 108.62 3his n GLY 120 Ca -0.17 -1.89 0.13 0.00 0.00 0.00 0.00 46.02 44.08 3his n GLY 120 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3his n GLU 121 N -2.27 0.17 -1.83 1.61 0.28 -1.26 -4.18 120.64 113.15 3his n GLU 121 Ca 0.10 0.09 -0.35 0.00 -0.16 0.00 0.00 57.16 56.83 3his n GLU 121 Cb 0.34 -1.64 0.05 0.00 1.43 0.00 0.00 31.44 31.62 3his n GLU 121 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 177.13 175.43 3his s SER 122 N -3.82 4.95 0.23 -1.84 1.04 -1.26 -4.81 113.70 108.19 3his s SER 122 Ca 0.10 2.30 -0.08 0.00 0.48 0.00 0.00 55.95 58.75 3his s SER 122 Cb 0.15 -2.59 0.23 0.00 0.10 0.00 0.00 66.02 63.91 3his s SER 122 CO 0.64 -1.75 1.91 1.88 0.98 0.00 0.00 173.24 176.90 3his h TYR 123 N 0.45 1.13 -0.73 5.02 0.05 -1.99 -1.19 116.97 119.71 3his h TYR 123 Ca -0.49 0.03 -0.01 0.00 0.05 0.00 0.00 58.73 58.31 3his h TYR 123 Cb 1.29 -0.38 -0.04 0.00 1.01 0.00 0.00 36.73 38.61 3his h TYR 123 CO 0.48 0.71 0.41 -1.35 -1.05 0.00 0.00 178.16 177.36 3his h PRO 124 N 1.22 1.01 -0.22 4.88 0.11 -1.96 0.25 132.00 137.27 3his h PRO 124 Ca 0.34 -0.10 -0.03 0.00 0.11 0.00 0.00 66.00 66.31 3his h PRO 124 Cb -0.12 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 30.77 3his h PRO 124 CO -0.08 0.73 0.02 1.96 -0.21 0.00 0.00 178.00 180.43 3his h GLN 125 N 1.02 0.38 -0.30 1.05 1.08 -1.65 -1.64 115.11 115.05 3his h GLN 125 Ca 0.26 -0.11 -0.18 0.00 -1.45 0.00 0.00 58.65 57.17 3his h GLN 125 Cb 0.01 -0.04 -0.00 0.00 -0.05 0.00 0.00 27.48 27.39 3his h GLN 125 CO -0.04 0.54 -0.51 0.82 -0.95 0.00 0.00 178.83 178.68 3his h ILE 126 N 0.17 1.28 -0.82 2.54 2.04 -0.98 -2.61 117.51 119.12 3his h ILE 126 Ca 0.07 -1.70 -0.03 0.00 1.00 0.00 0.00 64.86 64.20 3his h ILE 126 Cb 0.35 1.59 -0.04 0.00 -0.74 0.00 0.00 36.82 37.98 3his h ILE 126 CO 0.01 0.56 0.39 1.56 0.00 0.00 0.00 178.15 180.66 3his h GLN 127 N 0.67 1.18 -0.67 2.37 4.20 -0.49 -0.03 115.11 122.35 3his h GLN 127 Ca 0.02 -0.17 -0.05 0.00 0.06 0.00 0.00 58.65 58.51 3his h GLN 127 Cb 1.11 -0.21 -0.03 0.00 0.30 0.00 0.00 27.48 28.65 3his h GLN 127 CO 0.11 0.91 0.21 -0.97 -0.67 0.00 0.00 178.83 178.43 3his h ASN 128 N 1.17 0.94 -0.03 1.46 -1.24 -1.19 0.10 115.58 116.80 3his h ASN 128 Ca 0.28 -0.16 -0.12 0.00 0.71 0.00 0.00 56.30 57.01 3his h ASN 128 Cb 0.12 -0.25 -0.01 0.00 0.73 0.00 0.00 38.32 38.91 3his h ASN 128 CO -0.04 0.88 -0.36 0.00 -1.29 0.00 0.00 177.43 176.63 3his h ALA 129 N 1.25 0.94 0.00 1.57 0.00 -0.99 -3.12 119.26 118.90 3his h ALA 129 Ca 0.22 -0.41 -0.19 0.00 0.00 0.00 0.00 54.91 54.53 3his h ALA 129 Cb 0.27 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 3his h ALA 129 CO -0.01 0.62 -0.95 0.00 0.00 0.00 0.00 179.25 178.91 3his h ALA 130 N 1.17 0.46 0.00 0.00 0.00 -0.73 -3.37 119.26 116.80 3his h ALA 130 Ca 0.05 -0.85 0.00 0.00 0.00 0.00 0.00 54.91 54.11 3his h ALA 130 Cb 0.83 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.54 3his h ALA 130 CO 0.07 1.12 0.00 0.41 0.00 0.00 0.00 179.25 180.85 3his n GLY 131 N 1.34 0.58 3.17 0.00 0.00 0.34 -4.87 105.19 105.75 3his n GLY 131 Ca -0.01 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.91 3his n GLY 131 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3his s VAL 132 N -2.15 0.13 0.46 1.61 0.11 -1.15 -5.04 120.40 114.36 3his s VAL 132 Ca 0.00 -1.04 -0.02 0.00 -2.93 0.00 0.00 61.98 57.99 3his s VAL 132 Cb 0.00 -1.03 -0.01 0.00 -1.53 0.00 0.00 36.38 33.81 3his s VAL 132 CO 0.00 -0.58 0.71 0.42 -3.33 0.00 0.00 175.10 172.33 3his s THR 133 N -2.91 4.30 0.24 5.04 -4.23 -1.26 -4.53 115.64 112.28 3his s THR 133 Ca -0.02 -0.26 -0.06 0.00 -1.18 0.00 0.00 61.69 60.16 3his s THR 133 Cb 0.01 -3.62 0.23 0.00 1.34 0.00 0.00 72.50 70.46 3his s THR 133 CO -0.06 -0.50 1.68 0.03 -0.54 0.00 0.00 174.62 175.24 3his h ARG 134 N 0.32 0.23 -0.45 3.99 3.08 -1.96 -1.19 114.38 118.40 3his h ARG 134 Ca -0.47 -0.01 0.08 0.00 0.07 0.00 0.00 59.98 59.65 3his h ARG 134 Cb 1.24 -0.05 -0.07 0.00 0.08 0.00 0.00 29.97 31.17 3his h ARG 134 CO 0.59 0.16 0.06 1.96 -1.07 0.00 0.00 179.97 181.67 3his h GLN 135 N 0.24 0.17 -0.01 0.04 7.50 -1.94 -2.54 115.11 118.57 3his h GLN 135 Ca 0.40 -0.01 -0.14 0.00 0.50 0.00 0.00 58.65 59.39 3his h GLN 135 Cb 0.67 -0.04 -0.02 0.00 0.05 0.00 0.00 27.48 28.14 3his h GLN 135 CO -0.51 0.12 -0.66 1.96 -1.50 0.00 0.00 178.83 178.23 3his h GLN 136 N 0.18 0.05 -0.01 1.46 4.20 -1.78 -1.32 115.11 117.89 3his h GLN 136 Ca 0.22 -0.04 -0.14 0.00 0.06 0.00 0.00 58.65 58.76 3his h GLN 136 Cb 0.30 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.07 3his h GLN 136 CO -0.32 0.69 -0.63 0.00 -0.67 0.00 0.00 178.83 177.90 3his h ALA 137 N 1.30 0.93 -0.25 3.87 0.00 -0.83 -3.48 119.26 120.80 3his h ALA 137 Ca -0.01 -0.57 0.03 0.00 0.00 0.00 0.00 54.91 54.36 3his h ALA 137 Cb 1.17 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 3his h ALA 137 CO 0.09 0.78 -0.05 0.41 0.00 0.00 0.00 179.25 180.48 3his n GLY 138 N 0.29 -1.45 3.15 0.00 0.00 -1.06 -5.02 105.19 101.11 3his n GLY 138 Ca -0.01 -1.50 -0.10 0.00 0.00 0.00 0.00 46.02 44.41 3his n GLY 138 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3his s LEU 139 N -2.94 2.27 0.00 0.99 1.43 0.34 -4.89 118.68 115.89 3his s LEU 139 Ca 0.00 -1.08 0.00 0.00 -1.03 0.00 0.00 54.13 52.02 3his s LEU 139 Cb 0.00 0.10 0.00 0.00 0.03 0.00 0.00 46.19 46.32 3his s LEU 139 CO 0.00 -0.58 0.00 0.61 0.23 0.00 0.00 176.35 176.61 3his n GLY 140 N -0.04 4.24 0.11 -3.19 0.00 -1.26 -1.67 105.19 103.37 3his n GLY 140 Ca -0.10 -1.22 -0.10 0.00 0.00 0.00 0.00 46.02 44.59 3his n GLY 140 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3his h ILE 141 N 2.68 1.11 -0.27 -0.61 1.08 -1.93 -0.42 117.51 119.16 3his h ILE 141 Ca 0.00 -0.31 -0.09 0.00 -0.39 0.00 0.00 64.86 64.06 3his h ILE 141 Cb 0.00 0.97 -0.01 0.00 -3.07 0.00 0.00 36.82 34.71 3his h ILE 141 CO 0.00 0.11 -0.24 0.11 -0.69 0.00 0.00 178.15 177.44 3his h LYS 142 N 0.20 0.50 -0.17 2.37 1.57 -1.93 0.19 116.57 119.29 3his h LYS 142 Ca 0.07 -0.18 -0.01 0.00 -1.87 0.00 0.00 60.65 58.66 3his h LYS 142 Cb 0.08 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 3his h LYS 142 CO -0.01 0.70 0.08 0.87 -0.57 0.00 0.00 179.45 180.53 3his h LYS 143 N 0.45 0.25 -0.04 3.15 1.57 -1.84 0.09 116.57 120.20 3his h LYS 143 Ca 0.07 -0.04 0.02 0.00 -1.87 0.00 0.00 60.65 58.83 3his h LYS 143 Cb 0.65 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.89 3his h LYS 143 CO 0.05 0.30 -0.11 1.25 -0.57 0.00 0.00 179.45 180.37 3his h LEU 144 N 0.15 -0.32 -0.66 2.94 5.85 -0.74 -2.05 115.31 120.47 3his h LEU 144 Ca 0.06 0.05 0.07 0.00 0.84 0.00 0.00 57.88 58.91 3his h LEU 144 Cb 0.13 0.15 -0.06 0.00 0.37 0.00 0.00 40.66 41.24 3his h LEU 144 CO -0.01 -0.15 0.34 0.00 -0.34 0.00 0.00 178.44 178.28 3his h ALA 145 N 0.84 0.89 -0.53 1.25 0.00 -0.45 -0.51 119.26 120.75 3his h ALA 145 Ca 0.05 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 3his h ALA 145 Cb 0.24 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 3his h ALA 145 CO -0.14 -0.02 0.15 1.49 0.00 0.00 0.00 179.25 180.73 3his h GLU 146 N 0.61 0.84 -0.23 0.00 4.57 -0.83 -1.86 114.58 117.69 3his h GLU 146 Ca 0.31 -0.19 -0.06 0.00 -1.18 0.00 0.00 59.36 58.24 3his h GLU 146 Cb 0.26 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 28.72 3his h GLU 146 CO -0.22 0.79 -0.11 0.66 -1.18 0.00 0.00 179.01 178.95 3his h SER 147 N 0.74 0.35 0.71 1.04 4.64 -0.87 -2.61 113.55 117.55 3his h SER 147 Ca 0.17 -0.07 -0.09 0.00 -0.47 0.00 0.00 61.79 61.32 3his h SER 147 Cb 0.31 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 62.30 3his h SER 147 CO -0.00 0.49 -0.44 -0.03 -0.87 0.00 0.00 176.83 175.98 3his h MET 148 N 0.34 0.00 -0.03 4.77 1.85 -0.52 -2.20 114.93 119.14 3his h MET 148 Ca 0.07 0.00 0.01 0.00 -0.61 0.00 0.00 59.70 59.17 3his h MET 148 Cb 0.40 0.00 -0.00 0.00 0.43 0.00 0.00 31.60 32.43 3his h MET 148 CO 0.02 0.44 0.08 1.79 -0.40 0.00 0.00 176.91 178.84 3his h THR 149 N 0.00 0.20 -0.15 -0.77 1.35 -0.95 -1.35 112.91 111.24 3his h THR 149 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 3his h THR 149 Cb 0.92 0.93 0.00 0.00 -1.73 0.00 0.00 68.15 68.26 3his h THR 149 CO 0.06 0.00 0.00 0.29 -0.25 0.00 0.00 175.52 175.62 3his n LYS 150 N -3.36 1.75 0.00 4.72 5.02 -0.83 -3.76 118.16 121.70 3his n LYS 150 Ca -0.02 -1.12 0.00 0.00 -2.02 0.00 0.00 58.31 55.15 3his n LYS 150 Cb 0.16 -1.41 0.00 0.00 -0.02 0.00 0.00 35.03 33.76 3his n LYS 150 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 3his n VAL 151 N 0.34 0.00 -2.95 -0.18 0.24 -0.59 -4.64 118.33 110.55 3his n VAL 151 Ca 0.17 -0.29 -0.44 0.00 -2.04 0.00 0.00 64.34 61.74 3his n VAL 151 Cb 0.34 0.83 -0.03 0.00 -1.47 0.00 0.00 33.84 33.51 3his n VAL 151 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 3his s ASN 152 N -1.04 6.42 -0.46 -1.34 3.84 -0.74 -3.97 114.94 117.64 3his s ASN 152 Ca 0.00 -1.63 0.00 0.00 0.21 0.00 0.00 52.86 51.44 3his s ASN 152 Cb 0.00 -2.38 0.00 0.00 -0.55 0.00 0.00 41.25 38.32 3his s ASN 152 CO 0.00 -1.18 0.00 0.61 -2.79 0.00 0.00 177.10 173.74 3his n GLY 153 N 5.35 0.17 3.26 1.21 0.00 0.08 -4.90 105.19 110.36 3his n GLY 153 Ca 0.09 -0.67 -0.14 0.00 0.00 0.00 0.00 46.02 45.30 3his n GLY 153 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3his s VAL 154 N -2.26 0.54 0.35 1.61 -7.23 -1.18 -4.37 120.40 107.85 3his s VAL 154 Ca 0.00 -1.98 -0.29 0.00 -1.81 0.00 0.00 61.98 57.90 3his s VAL 154 Cb 0.00 -2.34 -0.11 0.00 0.56 0.00 0.00 36.38 34.49 3his s VAL 154 CO 0.00 -0.26 1.51 0.00 -0.31 0.00 0.00 175.10 176.04 3his s ALA 155 N -3.76 3.62 0.09 1.32 0.00 -1.26 -3.03 121.76 118.74 3his s ALA 155 Ca 0.30 1.56 -0.31 0.00 0.00 0.00 0.00 51.96 53.52 3his s ALA 155 Cb 0.07 -3.62 -0.07 0.00 0.00 0.00 0.00 23.12 19.50 3his s ALA 155 CO 0.08 -1.02 1.40 0.50 0.00 0.00 0.00 175.76 176.72 3his s ARG 156 N -1.64 4.31 -0.19 0.00 3.52 -1.26 -4.89 118.95 118.80 3his s ARG 156 Ca 0.56 2.06 0.01 0.00 -0.13 0.00 0.00 55.73 58.22 3his s ARG 156 Cb -0.47 -3.33 0.04 0.00 -1.56 0.00 0.00 34.95 29.63 3his s ARG 156 CO 0.59 -0.47 -0.12 0.08 -0.81 0.00 0.00 175.30 174.56 3his s VAL 157 N 1.42 1.71 0.20 7.11 1.01 -1.26 -5.05 120.40 125.53 3his s VAL 157 Ca 0.65 -0.96 -0.10 0.00 0.00 0.00 0.00 61.98 61.57 3his s VAL 157 Cb -0.36 -1.71 0.13 0.00 0.00 0.00 0.00 36.38 34.44 3his s VAL 157 CO 0.30 0.26 1.77 -0.08 0.00 0.00 0.00 175.10 177.35 3his h GLU 158 N 7.97 0.49 -0.96 2.72 4.81 -1.95 -0.73 114.58 126.93 3his h GLU 158 Ca -0.32 -0.03 0.02 0.00 -0.13 0.00 0.00 59.36 58.91 3his h GLU 158 Cb 1.11 -0.11 -0.05 0.00 0.63 0.00 0.00 28.75 30.33 3his h GLU 158 CO 0.50 0.32 0.64 -0.22 -0.73 0.00 0.00 179.01 179.52 3his h LYS 159 N 0.50 1.23 -0.22 1.92 3.64 -1.93 0.66 116.57 122.37 3his h LYS 159 Ca 0.29 -0.07 -0.13 0.00 -1.27 0.00 0.00 60.65 59.46 3his h LYS 159 Cb 0.28 -0.28 -0.00 0.00 -0.41 0.00 0.00 32.23 31.82 3his h LYS 159 CO -0.24 0.81 -0.37 -0.44 -2.27 0.00 0.00 179.45 176.94 3his h ASP 160 N 1.27 0.71 -0.70 4.20 3.32 -1.58 -2.48 116.42 121.16 3his h ASP 160 Ca 0.36 -0.53 -0.01 0.00 0.02 0.00 0.00 57.03 56.88 3his h ASP 160 Cb -0.09 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.22 3his h ASP 160 CO -0.09 1.10 0.42 -0.08 -1.72 0.00 0.00 179.24 178.87 3his h GLU 161 N 0.34 0.96 -0.48 3.56 4.81 -0.87 -1.86 114.58 121.04 3his h GLU 161 Ca 0.02 -0.09 -0.06 0.00 -0.13 0.00 0.00 59.36 59.10 3his h GLU 161 Cb 0.96 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 30.12 3his h GLU 161 CO 0.08 0.69 0.05 0.00 -0.73 0.00 0.00 179.01 179.10 3his h ALA 162 N 1.22 1.19 -0.48 2.92 0.00 -0.77 -0.27 119.26 123.06 3his h ALA 162 Ca 0.25 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 3his h ALA 162 Cb -0.02 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 3his h ALA 162 CO -0.05 0.54 0.04 1.25 0.00 0.00 0.00 179.25 181.04 3his h LEU 163 N 0.72 0.80 -0.45 0.00 5.85 -1.15 0.10 115.31 121.18 3his h LEU 163 Ca 0.15 -0.28 0.03 0.00 0.84 0.00 0.00 57.88 58.62 3his h LEU 163 Cb 0.37 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.16 3his h LEU 163 CO 0.01 0.88 0.25 0.15 -0.34 0.00 0.00 178.44 179.39 3his h PHE 164 N 0.69 0.47 -0.56 1.25 3.57 -0.81 -1.85 116.94 119.70 3his h PHE 164 Ca 0.14 0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.55 3his h PHE 164 Cb 0.44 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 39.02 3his h PHE 164 CO 0.03 0.26 -0.08 -0.07 -2.23 0.00 0.00 178.31 176.23 3his h LEU 165 N 0.50 1.04 -0.60 0.59 3.38 -0.80 0.71 115.31 120.14 3his h LEU 165 Ca 0.19 -0.34 0.07 0.00 0.09 0.00 0.00 57.88 57.88 3his h LEU 165 Cb 0.05 -0.28 -0.06 0.00 0.09 0.00 0.00 40.66 40.45 3his h LEU 165 CO -0.10 1.14 0.29 0.25 0.09 0.00 0.00 178.44 180.10 3his h LEU 166 N 0.93 0.39 -0.03 1.67 5.85 -0.64 -0.99 115.31 122.49 3his h LEU 166 Ca 0.15 0.05 -0.05 0.00 0.84 0.00 0.00 57.88 58.86 3his h LEU 166 Cb 0.65 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.66 3his h LEU 166 CO 0.04 0.25 -0.19 0.40 -0.34 0.00 0.00 178.44 178.60 3his h ILE 167 N 0.53 1.49 -0.48 4.05 2.04 -1.11 -3.32 117.51 120.71 3his h ILE 167 Ca 0.28 -1.72 -0.05 0.00 1.00 0.00 0.00 64.86 64.38 3his h ILE 167 Cb 0.24 2.51 -0.02 0.00 -0.74 0.00 0.00 36.82 38.81 3his h ILE 167 CO -0.22 0.47 0.11 1.62 0.00 0.00 0.00 178.15 180.14 3his h VAL 168 N -0.40 1.21 0.00 1.67 3.04 -0.60 -0.07 116.25 121.10 3his h VAL 168 Ca -0.02 -0.75 -0.03 0.00 -1.01 0.00 0.00 66.70 64.89 3his h VAL 168 Cb 0.87 0.72 -0.00 0.00 -2.01 0.00 0.00 31.29 30.87 3his h VAL 168 CO 0.04 0.28 -0.14 -0.37 -1.01 0.00 0.00 177.57 176.37 3his h VAL 169 N 0.71 0.47 0.13 1.51 -1.51 -1.32 -0.33 116.25 115.91 3his h VAL 169 Ca 0.16 -0.70 -0.28 0.00 -1.23 0.00 0.00 66.70 64.65 3his h VAL 169 Cb 0.27 1.48 0.00 0.00 -2.13 0.00 0.00 31.29 30.92 3his h VAL 169 CO -0.00 0.13 -1.39 1.56 -1.23 0.00 0.00 177.57 176.64 3his h GLN 170 N 0.00 0.27 0.00 5.19 4.20 -1.47 -1.59 115.11 121.71 3his h GLN 170 Ca -0.00 -0.47 -0.03 0.00 0.06 0.00 0.00 58.65 58.21 3his h GLN 170 Cb 0.47 0.17 -0.00 0.00 0.30 0.00 0.00 27.48 28.42 3his h GLN 170 CO 0.02 1.22 -0.15 0.52 -0.67 0.00 0.00 178.83 179.77 3his h MET 171 N -0.25 0.00 0.00 1.46 2.86 -0.75 -0.72 114.93 117.52 3his h MET 171 Ca -0.29 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.35 3his h MET 171 Cb 1.80 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.46 3his h MET 171 CO 0.09 0.15 -0.29 0.28 1.06 0.00 0.00 176.91 178.20 3his n VAL 172 N -4.03 0.48 0.12 -2.22 0.31 -0.16 -4.49 118.33 108.34 3his n VAL 172 Ca -0.02 0.35 -0.13 0.00 -0.01 0.00 0.00 64.34 64.53 3his n VAL 172 Cb 0.23 -1.70 -0.08 0.00 -0.91 0.00 0.00 33.84 31.38 3his n VAL 172 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 3his h GLY 173 N -0.29 -0.34 1.31 2.92 0.00 -1.54 -1.94 103.07 103.19 3his h GLY 173 Ca 0.00 0.13 -0.09 0.00 0.00 0.00 0.00 47.33 47.37 3his h GLY 173 CO 0.00 -0.12 -0.05 0.83 0.00 0.00 0.00 176.54 177.20 3his h GLU 174 N -0.75 0.83 -0.04 4.80 4.39 -1.18 -1.95 114.58 120.69 3his h GLU 174 Ca -0.03 -0.25 -0.10 0.00 0.34 0.00 0.00 59.36 59.32 3his h GLU 174 Cb 0.50 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.05 3his h GLU 174 CO 0.05 0.87 -0.44 0.00 -1.16 0.00 0.00 179.01 178.33 3his h ALA 175 N 1.18 1.21 -0.55 3.43 0.00 -1.19 0.14 119.26 123.47 3his h ALA 175 Ca 0.14 -0.41 -0.07 0.00 0.00 0.00 0.00 54.91 54.57 3his h ALA 175 Cb 0.53 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 3his h ALA 175 CO 0.03 0.57 0.06 0.00 0.00 0.00 0.00 179.25 179.91 3his h ALA 176 N 1.49 0.73 -0.44 0.00 0.00 -0.94 -3.19 119.26 116.91 3his h ALA 176 Ca 0.00 -0.26 -0.15 0.00 0.00 0.00 0.00 54.91 54.50 3his h ALA 176 Cb 0.80 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 3his h ALA 176 CO 0.06 0.50 -0.29 0.00 0.00 0.00 0.00 179.25 179.52 3his h ARG 177 N 0.81 0.98 -4.37 0.00 3.08 -0.92 -3.21 114.38 110.75 3his h ARG 177 Ca 0.16 -0.46 -0.61 0.00 0.07 0.00 0.00 59.98 59.14 3his h ARG 177 Cb 0.45 -0.01 -0.38 0.00 0.08 0.00 0.00 29.97 30.11 3his h ARG 177 CO 0.02 1.13 -0.79 -0.06 -1.07 0.00 0.00 179.97 179.20 3his s PHE 178 N -4.55 2.41 0.61 3.04 0.40 0.44 -0.01 117.98 120.32 3his s PHE 178 Ca -0.11 -1.76 0.30 0.00 -0.60 0.00 0.00 56.93 54.75 3his s PHE 178 Cb 0.12 -1.59 1.62 0.00 0.51 0.00 0.00 43.02 43.68 3his s PHE 178 CO 0.88 -0.78 1.99 0.87 0.70 0.00 0.00 175.22 178.88 3his h LYS 179 N 7.95 0.00 -0.83 0.44 1.57 -1.17 -1.34 116.57 123.19 3his h LYS 179 Ca -0.18 0.00 0.11 0.00 -1.87 0.00 0.00 60.65 58.71 3his h LYS 179 Cb 1.07 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 33.30 3his h LYS 179 CO 0.41 0.00 0.46 -0.92 -0.57 0.00 0.00 179.45 178.84 3his h TYR 180 N 0.00 0.83 -0.02 -1.35 5.03 -1.22 0.23 116.97 120.48 3his h TYR 180 Ca 0.11 0.03 -0.07 0.00 2.58 0.00 0.00 58.73 61.38 3his h TYR 180 Cb 0.77 -0.25 0.00 0.00 1.55 0.00 0.00 36.73 38.80 3his h TYR 180 CO 0.00 0.31 -0.25 0.82 -1.32 0.00 0.00 178.16 177.72 3his h ILE 181 N 0.75 1.51 -0.63 1.81 2.04 -1.55 -2.34 117.51 119.11 3his h ILE 181 Ca 0.41 -1.85 0.13 0.00 1.00 0.00 0.00 64.86 64.55 3his h ILE 181 Cb 0.43 2.64 -0.11 0.00 -0.74 0.00 0.00 36.82 39.05 3his h ILE 181 CO -0.27 0.51 -0.02 -0.08 0.00 0.00 0.00 178.15 178.28 3his h GLU 182 N -0.43 0.09 -0.25 2.37 4.81 -1.17 -2.00 114.58 118.00 3his h GLU 182 Ca -0.03 -0.01 -0.13 0.00 -0.13 0.00 0.00 59.36 59.07 3his h GLU 182 Cb 0.97 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.32 3his h GLU 182 CO 0.05 0.06 -0.38 -0.91 -0.73 0.00 0.00 179.01 177.10 3his h ASN 183 N 0.09 0.59 -0.78 1.04 2.35 -0.56 -0.40 115.58 117.92 3his h ASN 183 Ca 0.33 -0.25 0.02 0.00 -0.55 0.00 0.00 56.30 55.84 3his h ASN 183 Cb 0.53 -0.17 -0.04 0.00 0.05 0.00 0.00 38.32 38.69 3his h ASN 183 CO -0.56 0.91 0.51 0.25 -1.65 0.00 0.00 177.43 176.90 3his h LEU 184 N 0.47 0.87 -0.33 1.61 5.85 -0.90 0.27 115.31 123.15 3his h LEU 184 Ca 0.05 -0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.72 3his h LEU 184 Cb 0.87 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.68 3his h LEU 184 CO 0.07 0.62 0.08 0.58 -0.34 0.00 0.00 178.44 179.45 3his h VAL 185 N 1.03 1.22 -0.23 1.05 2.07 -0.81 -2.84 116.25 117.75 3his h VAL 185 Ca 0.30 -0.76 -0.07 0.00 0.82 0.00 0.00 66.70 66.99 3his h VAL 185 Cb -0.07 1.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 3his h VAL 185 CO -0.08 0.25 -0.16 -0.07 0.02 0.00 0.00 177.57 177.54 3his h LEU 186 N 0.37 0.37 -0.14 2.57 3.38 -0.57 -2.74 115.31 118.55 3his h LEU 186 Ca 0.10 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3his h LEU 186 Cb 0.31 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.96 3his h LEU 186 CO 0.00 0.55 -0.10 0.59 0.09 0.00 0.00 178.44 179.58 3his n ASN 187 N -4.21 0.32 -2.53 -0.43 3.02 0.89 -3.61 115.26 108.71 3his n ASN 187 Ca -0.00 -0.36 -0.12 0.00 -0.03 0.00 0.00 54.58 54.06 3his n ASN 187 Cb 0.32 -0.14 0.03 0.00 -0.61 0.00 0.00 39.78 39.38 3his n ASN 187 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3his n ASN 188 N -1.11 2.92 0.07 6.41 3.02 -1.05 -4.94 115.26 120.57 3his n ASN 188 Ca 0.13 -2.88 -0.17 0.00 -0.03 0.00 0.00 54.58 51.64 3his n ASN 188 Cb 0.28 -0.45 -0.14 0.00 -0.61 0.00 0.00 39.78 38.86 3his n ASN 188 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 3his h PHE 189 N 2.57 0.46 -0.68 3.10 3.57 -1.58 -3.38 116.94 120.99 3his h PHE 189 Ca 0.07 -0.33 0.00 0.00 3.53 0.00 0.00 57.97 61.24 3his h PHE 189 Cb 1.28 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 40.00 3his h PHE 189 CO 0.64 1.36 0.00 -0.25 -2.23 0.00 0.00 178.31 177.83 3his n ASP 190 N -3.46 3.83 -4.99 0.41 10.43 -1.26 -4.94 116.55 116.57 3his n ASP 190 Ca -0.15 -2.00 -0.19 0.00 2.57 0.00 0.00 54.79 55.02 3his n ASP 190 Cb 1.04 -0.45 0.00 0.00 1.84 0.00 0.00 41.12 43.55 3his n ASP 190 CO 0.00 0.00 0.00 0.42 -1.07 0.00 0.00 177.20 176.55 3his s THR 191 N -1.04 3.81 0.18 -3.53 -4.23 -1.26 -5.02 115.64 104.55 3his s THR 191 Ca 0.46 -0.89 -0.03 0.00 -1.18 0.00 0.00 61.69 60.04 3his s THR 191 Cb 0.24 -3.33 -0.07 0.00 1.34 0.00 0.00 72.50 70.68 3his s THR 191 CO 0.32 -0.15 1.48 0.00 -0.54 0.00 0.00 174.62 175.73 3his h ALA 192 N 0.72 0.66 0.00 3.99 0.00 -1.94 -3.29 119.26 119.39 3his h ALA 192 Ca -0.45 -0.53 -0.22 0.00 0.00 0.00 0.00 54.91 53.71 3his h ALA 192 Cb 1.26 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.94 3his h ALA 192 CO 0.52 0.70 -1.10 0.87 0.00 0.00 0.00 179.25 180.24 3his h LYS 193 N 0.41 0.00 0.00 0.00 1.79 -1.95 -3.46 116.57 113.37 3his h LYS 193 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3his h LYS 193 Cb 1.14 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.79 3his h LYS 193 CO 0.11 0.88 0.00 0.39 -1.08 0.00 0.00 179.45 179.75 3his n GLU 194 N -3.29 0.00 -3.33 3.15 1.02 -1.24 -4.30 120.64 112.65 3his n GLU 194 Ca -0.03 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.69 3his n GLU 194 Cb 0.95 0.00 -0.09 0.00 -0.02 0.00 0.00 31.44 32.28 3his n GLU 194 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3his s VAL 195 N 0.00 5.09 -0.30 2.62 1.01 -0.67 -4.95 120.40 123.20 3his s VAL 195 Ca 0.00 -0.14 -0.14 0.00 0.00 0.00 0.00 61.98 61.70 3his s VAL 195 Cb 0.00 -3.97 0.14 0.00 0.00 0.00 0.00 36.38 32.55 3his s VAL 195 CO 0.00 -0.31 0.86 -0.70 0.00 0.00 0.00 175.10 174.95 3his s GLU 196 N 2.15 0.43 0.89 2.72 2.12 -1.26 -0.50 118.70 125.25 3his s GLU 196 Ca 0.13 0.98 -0.12 0.00 0.36 0.00 0.00 54.97 56.32 3his s GLU 196 Cb -0.17 0.47 0.12 0.00 0.26 0.00 0.00 34.13 34.81 3his s GLU 196 CO 0.13 -0.13 1.11 -1.25 -0.54 0.00 0.00 175.26 174.58 3his s PRO 197 N 2.29 1.33 0.10 4.30 0.04 -1.26 -5.06 135.00 136.74 3his s PRO 197 Ca -0.06 0.54 -0.31 0.00 0.04 0.00 0.00 61.00 61.22 3his s PRO 197 Cb -0.07 -1.84 -0.09 0.00 0.04 0.00 0.00 34.50 32.53 3his s PRO 197 CO -0.18 -2.12 1.73 0.08 0.04 0.00 0.00 177.00 176.55 3his s VAL 198 N -3.12 2.75 0.69 -0.36 1.01 -0.50 -4.96 120.40 115.92 3his s VAL 198 Ca 0.63 0.28 -0.16 0.00 0.00 0.00 0.00 61.98 62.73 3his s VAL 198 Cb -0.16 -3.18 0.02 0.00 0.00 0.00 0.00 36.38 33.06 3his s VAL 198 CO 0.55 0.00 1.20 -2.84 0.00 0.00 0.00 175.10 174.02 3his s PRO 199 N 2.53 2.40 0.27 2.72 0.02 -1.26 -4.70 135.00 136.97 3his s PRO 199 Ca 0.77 1.76 -0.02 0.00 0.02 0.00 0.00 61.00 63.53 3his s PRO 199 Cb -0.43 -1.86 0.43 0.00 0.02 0.00 0.00 34.50 32.65 3his s PRO 199 CO 0.34 -1.63 1.87 -0.44 -0.33 0.00 0.00 177.00 176.80 3his h ASP 200 N 0.04 0.99 0.00 2.53 3.32 -2.00 -1.68 116.42 119.62 3his h ASP 200 Ca -0.48 0.02 -0.04 0.00 0.02 0.00 0.00 57.03 56.55 3his h ASP 200 Cb 1.29 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 40.64 3his h ASP 200 CO 0.51 0.61 -0.09 0.03 -1.72 0.00 0.00 179.24 178.59 3his h ARG 201 N 1.11 0.21 -0.25 3.56 3.08 -1.99 -0.12 114.38 119.98 3his h ARG 201 Ca 0.44 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.43 3his h ARG 201 Cb 0.24 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.25 3his h ARG 201 CO -0.19 0.31 0.06 0.28 -1.07 0.00 0.00 179.97 179.36 3his h VAL 202 N 0.20 1.21 -0.97 2.04 2.07 -1.67 -0.30 116.25 118.83 3his h VAL 202 Ca 0.04 -0.69 0.02 0.00 0.82 0.00 0.00 66.70 66.90 3his h VAL 202 Cb 0.29 1.19 -0.05 0.00 -1.52 0.00 0.00 31.29 31.20 3his h VAL 202 CO 0.01 0.22 0.64 0.40 0.02 0.00 0.00 177.57 178.87 3his h ILE 203 N 0.23 1.22 -0.29 4.57 1.08 -1.22 -1.01 117.51 122.10 3his h ILE 203 Ca 0.08 -0.44 -0.03 0.00 -0.39 0.00 0.00 64.86 64.08 3his h ILE 203 Cb 0.28 -0.18 -0.01 0.00 -3.07 0.00 0.00 36.82 33.84 3his h ILE 203 CO 0.00 0.24 0.08 0.40 -0.69 0.00 0.00 178.15 178.18 3his h ILE 204 N 1.29 1.21 -0.76 -0.67 2.04 -0.83 -2.97 117.51 116.81 3his h ILE 204 Ca 0.37 -0.67 0.00 0.00 1.00 0.00 0.00 64.86 65.56 3his h ILE 204 Cb -0.10 1.10 -0.04 0.00 -0.74 0.00 0.00 36.82 37.05 3his h ILE 204 CO -0.09 0.22 0.49 -0.07 0.00 0.00 0.00 178.15 178.70 3his h LEU 205 N 0.30 0.89 -2.40 1.44 3.38 -0.44 -1.77 115.31 116.72 3his h LEU 205 Ca 0.09 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 3his h LEU 205 Cb 0.26 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 3his h LEU 205 CO -0.00 0.66 -0.00 -0.33 0.09 0.00 0.00 178.44 178.86 3his h GLU 206 N 1.04 0.00 -0.10 1.13 5.08 -1.04 -0.50 114.58 120.18 3his h GLU 206 Ca 0.28 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.64 3his h GLU 206 Cb -0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.16 3his h GLU 206 CO -0.06 0.00 0.00 -1.71 -1.00 0.00 0.00 179.01 176.24 3his n ASN 207 N -3.09 2.35 -0.40 1.42 4.05 -0.67 -4.56 115.26 114.35 3his n ASN 207 Ca -0.02 -1.78 0.02 0.00 0.45 0.00 0.00 54.58 53.25 3his n ASN 207 Cb 0.16 -0.05 0.03 0.00 1.23 0.00 0.00 39.78 41.15 3his n ASN 207 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 177.26 174.80 3his n ASN 208 N 0.81 0.51 -0.07 1.20 3.02 -0.20 -4.86 115.26 115.67 3his n ASN 208 Ca 0.17 -2.22 -0.10 0.00 -0.03 0.00 0.00 54.58 52.40 3his n ASN 208 Cb 0.48 -0.25 -0.03 0.00 -0.61 0.00 0.00 39.78 39.37 3his n ASN 208 CO 0.00 0.00 0.00 -0.25 -2.62 0.00 0.00 177.26 174.39 3his h TRP 209 N 0.00 0.35 -0.35 3.10 7.01 -1.79 0.62 115.95 124.90 3his h TRP 209 Ca 0.00 -0.01 -0.05 0.00 2.11 0.00 0.00 58.89 60.94 3his h TRP 209 Cb 1.30 -0.11 -0.01 0.00 -2.10 0.00 0.00 29.16 28.24 3his h TRP 209 CO 0.08 0.32 0.04 0.78 -2.79 0.00 0.00 178.44 176.87 3his h GLY 210 N 0.29 0.64 0.93 2.65 0.00 -1.93 -0.62 103.07 105.03 3his h GLY 210 Ca 0.09 -0.44 0.02 0.00 0.00 0.00 0.00 47.33 47.00 3his h GLY 210 CO -0.01 0.40 0.40 -2.00 0.00 0.00 0.00 176.54 175.33 3his h LEU 211 N 0.42 0.67 -0.82 3.11 6.46 -1.86 -0.69 115.31 122.61 3his h LEU 211 Ca 0.11 -0.01 -0.12 0.00 -0.12 0.00 0.00 57.88 57.74 3his h LEU 211 Cb 0.38 -0.15 -0.01 0.00 -0.73 0.00 0.00 40.66 40.15 3his h LEU 211 CO 0.01 0.48 -0.41 -0.07 -0.62 0.00 0.00 178.44 177.83 3his h LEU 212 N 0.80 0.40 -0.37 2.25 3.38 -0.71 -0.90 115.31 120.16 3his h LEU 212 Ca 0.24 -0.17 -0.09 0.00 0.09 0.00 0.00 57.88 57.95 3his h LEU 212 Cb -0.03 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 3his h LEU 212 CO -0.08 0.77 -0.10 0.28 0.09 0.00 0.00 178.44 179.40 3his h SER 213 N 0.32 0.74 -0.43 -0.43 0.02 -0.72 -0.40 113.55 112.65 3his h SER 213 Ca 0.03 -0.37 0.00 0.00 -0.84 0.00 0.00 61.79 60.61 3his h SER 213 Cb 0.86 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 63.18 3his h SER 213 CO 0.07 0.94 0.28 0.03 -1.14 0.00 0.00 176.83 177.01 3his h ARG 214 N 0.53 0.57 -0.32 3.45 3.08 -0.99 -1.97 114.38 118.72 3his h ARG 214 Ca 0.09 -0.04 -0.07 0.00 0.07 0.00 0.00 59.98 60.04 3his h ARG 214 Cb 0.62 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.53 3his h ARG 214 CO 0.04 0.38 -0.10 0.00 -1.07 0.00 0.00 179.97 179.23 3his h ALA 215 N 1.15 1.23 -0.48 0.04 0.00 -1.06 -2.63 119.26 117.51 3his h ALA 215 Ca 0.16 -0.26 -0.12 0.00 0.00 0.00 0.00 54.91 54.69 3his h ALA 215 Cb -0.06 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 3his h ALA 215 CO -0.03 0.50 -0.16 0.00 0.00 0.00 0.00 179.25 179.56 3his h ALA 216 N 1.39 0.81 -0.04 0.00 0.00 -0.78 -1.86 119.26 118.79 3his h ALA 216 Ca 0.10 -0.36 0.01 0.00 0.00 0.00 0.00 54.91 54.66 3his h ALA 216 Cb 0.48 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 3his h ALA 216 CO 0.03 0.65 0.03 -0.22 0.00 0.00 0.00 179.25 179.74 3his h LYS 217 N 0.82 0.00 -0.57 0.00 3.64 -0.99 -0.78 116.57 118.69 3his h LYS 217 Ca 0.12 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.50 3his h LYS 217 Cb 0.70 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.52 3his h LYS 217 CO 0.05 0.00 0.00 0.25 -2.27 0.00 0.00 179.45 177.48 3his n THR 218 N -4.34 1.07 -1.81 1.00 -2.24 -1.06 -4.28 114.28 102.63 3his n THR 218 Ca -0.02 -1.03 -0.32 0.00 -2.27 0.00 0.00 64.05 60.41 3his n THR 218 Cb 0.12 0.47 0.03 0.00 -2.10 0.00 0.00 70.33 68.85 3his n THR 218 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3his s ALA 219 N -1.08 2.71 -0.35 6.98 0.00 -0.35 -4.04 121.76 125.63 3his s ALA 219 Ca 0.39 0.24 -0.04 0.00 0.00 0.00 0.00 51.96 52.55 3his s ALA 219 Cb 0.21 -3.20 0.06 0.00 0.00 0.00 0.00 23.12 20.19 3his s ALA 219 CO 0.26 -1.02 0.10 -0.80 0.00 0.00 0.00 175.76 174.30 3his s ASN 220 N -3.28 5.18 -1.49 0.00 -0.87 -0.14 -4.35 114.94 109.98 3his s ASN 220 Ca 0.61 -1.43 -0.04 0.00 -1.57 0.00 0.00 52.86 50.42 3his s ASN 220 Cb -0.15 -1.81 0.04 0.00 -0.02 0.00 0.00 41.25 39.31 3his s ASN 220 CO 0.46 -0.37 0.45 0.59 -2.57 0.00 0.00 177.10 175.65 3his n ASN 221 N 4.70 -0.83 0.00 -1.22 5.03 -0.72 -1.56 115.26 120.65 3his n ASN 221 Ca -0.10 -1.04 0.00 0.00 0.87 0.00 0.00 54.58 54.31 3his n ASN 221 Cb 0.43 -2.80 0.00 0.00 -1.02 0.00 0.00 39.78 36.40 3his n ASN 221 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3his n GLY 222 N -1.93 1.41 3.57 7.41 0.00 0.22 -4.94 105.19 110.92 3his n GLY 222 Ca -0.22 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.40 3his n GLY 222 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3his s VAL 223 N -2.46 5.24 0.48 1.61 1.01 -0.60 -0.29 120.40 125.39 3his s VAL 223 Ca 0.00 0.17 -0.24 0.00 0.00 0.00 0.00 61.98 61.91 3his s VAL 223 Cb 0.00 -3.66 -0.08 0.00 0.00 0.00 0.00 36.38 32.64 3his s VAL 223 CO 0.00 0.11 1.31 0.49 0.00 0.00 0.00 175.10 177.01 3his n PHE 224 N 5.20 2.20 -0.19 5.22 3.72 -0.37 -0.96 117.46 132.27 3his n PHE 224 Ca -0.11 0.46 -0.04 0.00 -0.05 0.00 0.00 57.45 57.71 3his n PHE 224 Cb 0.51 -2.37 0.06 0.00 -0.94 0.00 0.00 39.48 36.74 3his n PHE 224 CO 0.00 0.00 0.00 0.37 -0.05 0.00 0.00 176.76 177.08 3his h GLN 225 N 1.81 0.56 -4.92 -1.08 5.75 -1.83 -3.39 115.11 112.01 3his h GLN 225 Ca -0.49 -0.03 -0.59 0.00 -0.15 0.00 0.00 58.65 57.38 3his h GLN 225 Cb 1.30 -0.13 -0.33 0.00 1.07 0.00 0.00 27.48 29.39 3his h GLN 225 CO 0.59 0.37 -0.84 0.99 -2.65 0.00 0.00 178.83 177.28 3his s THR 226 N -6.12 1.55 0.44 2.39 2.01 -1.26 -5.10 115.64 109.55 3his s THR 226 Ca -0.13 -0.72 -0.24 0.00 0.31 0.00 0.00 61.69 60.91 3his s THR 226 Cb 0.14 -1.37 -0.10 0.00 0.01 0.00 0.00 72.50 71.19 3his s THR 226 CO 0.74 0.45 1.03 -2.65 -0.69 0.00 0.00 174.62 173.50 3his n PRO 227 N 3.66 1.36 -4.07 4.92 -0.02 -1.26 -4.97 135.00 134.62 3his n PRO 227 Ca -0.21 0.49 -0.32 0.00 -2.02 0.00 0.00 63.50 61.44 3his n PRO 227 Cb 0.52 -2.09 -0.07 0.00 -0.02 0.00 0.00 33.50 31.84 3his n PRO 227 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3his s LEU 228 N -0.82 3.94 -0.39 2.45 1.43 0.03 -4.96 118.68 120.36 3his s LEU 228 Ca 0.64 0.14 -0.01 0.00 -1.03 0.00 0.00 54.13 53.88 3his s LEU 228 Cb -0.53 -2.37 0.11 0.00 0.03 0.00 0.00 46.19 43.42 3his s LEU 228 CO 0.56 0.25 0.15 -0.69 0.23 0.00 0.00 176.35 176.85 3his s VAL 229 N -1.26 2.99 0.03 -1.59 1.01 -1.26 -1.11 120.40 119.21 3his s VAL 229 Ca 0.25 -2.12 -0.26 0.00 0.00 0.00 0.00 61.98 59.84 3his s VAL 229 Cb -0.12 -3.08 -0.05 0.00 0.00 0.00 0.00 36.38 33.13 3his s VAL 229 CO 0.16 -0.65 0.83 -0.76 0.00 0.00 0.00 175.10 174.68 3his s LEU 230 N 1.07 4.42 0.14 3.92 1.43 -0.26 -4.86 118.68 124.55 3his s LEU 230 Ca 0.09 1.50 -0.03 0.00 -1.03 0.00 0.00 54.13 54.66 3his s LEU 230 Cb -0.22 -3.33 -0.03 0.00 0.03 0.00 0.00 46.19 42.64 3his s LEU 230 CO -0.05 -0.07 0.10 0.42 0.23 0.00 0.00 176.35 176.98 3his s THR 231 N 0.28 0.09 -0.07 5.49 -4.23 -1.26 -1.33 115.64 114.60 3his s THR 231 Ca 0.42 -1.82 -0.08 0.00 -1.18 0.00 0.00 61.69 59.03 3his s THR 231 Cb -0.21 -2.04 0.02 0.00 1.34 0.00 0.00 72.50 71.62 3his s THR 231 CO 0.24 -0.40 0.22 -0.55 -0.54 0.00 0.00 174.62 173.59 3his s SER 232 N -3.04 -0.21 0.59 3.99 0.15 -1.26 -4.86 113.70 109.06 3his s SER 232 Ca 0.24 0.38 0.29 0.00 0.70 0.00 0.00 55.95 57.56 3his s SER 232 Cb 0.07 0.43 1.49 0.00 -1.71 0.00 0.00 66.02 66.29 3his s SER 232 CO 0.02 -0.12 1.91 0.10 1.20 0.00 0.00 173.24 176.35 3his h TYR 233 N 5.60 0.00 0.00 3.44 -0.00 -1.98 -1.65 116.97 122.37 3his h TYR 233 Ca -0.26 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.47 3his h TYR 233 Cb 1.19 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.92 3his h TYR 233 CO 0.42 0.00 -0.16 0.00 -0.00 0.00 0.00 178.16 178.43 3his n ALA 234 N -2.33 2.70 -3.24 0.10 0.00 -1.26 -3.88 120.51 112.61 3his n ALA 234 Ca 0.08 -0.18 -0.24 0.00 0.00 0.00 0.00 53.44 53.10 3his n ALA 234 Cb 0.64 -1.36 -0.07 0.00 0.00 0.00 0.00 19.45 18.67 3his n ALA 234 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3his n VAL 235 N -1.52 0.53 -2.06 0.00 0.31 -0.62 -5.09 118.33 109.88 3his n VAL 235 Ca 0.06 -4.55 -0.40 0.00 -0.01 0.00 0.00 64.34 59.45 3his n VAL 235 Cb 0.34 -1.74 -0.01 0.00 -0.91 0.00 0.00 33.84 31.52 3his n VAL 235 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 3his s PRO 236 N -1.89 4.07 0.00 5.55 0.04 -1.24 -2.68 135.00 138.86 3his s PRO 236 Ca 0.38 2.19 0.00 0.00 0.04 0.00 0.00 61.00 63.61 3his s PRO 236 Cb 0.20 -2.84 0.00 0.00 0.04 0.00 0.00 34.50 31.89 3his s PRO 236 CO -0.08 -0.42 0.00 0.41 0.04 0.00 0.00 177.00 176.95 3his n GLY 237 N 0.69 0.82 3.48 0.56 0.00 -1.26 -5.03 105.19 104.44 3his n GLY 237 Ca 0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 3his n GLY 237 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3his s VAL 238 N -3.25 3.01 0.12 1.61 1.01 -1.09 -5.13 120.40 116.68 3his s VAL 238 Ca 0.00 -0.84 0.03 0.00 0.00 0.00 0.00 61.98 61.17 3his s VAL 238 Cb 0.00 -2.20 -0.04 0.00 0.00 0.00 0.00 36.38 34.13 3his s VAL 238 CO 0.00 0.52 -0.08 -1.83 0.00 0.00 0.00 175.10 173.71 3his s GLU 239 N -0.93 0.93 -0.26 2.72 -1.05 -1.26 -4.62 118.70 114.23 3his s GLU 239 Ca 0.13 -1.39 -0.01 0.00 -0.15 0.00 0.00 54.97 53.55 3his s GLU 239 Cb -0.11 -0.38 0.08 0.00 -0.44 0.00 0.00 34.13 33.28 3his s GLU 239 CO 0.02 0.02 0.03 -0.46 0.95 0.00 0.00 175.26 175.82 3his s TRP 240 N -3.51 1.82 -0.19 4.83 -0.00 -0.44 -4.96 118.94 116.50 3his s TRP 240 Ca 0.14 -1.55 -0.27 0.00 -0.00 0.00 0.00 56.10 54.42 3his s TRP 240 Cb 0.04 -1.54 -0.01 0.00 -0.00 0.00 0.00 33.47 31.97 3his s TRP 240 CO -0.02 -0.77 0.93 1.03 -0.00 0.00 0.00 176.95 178.11 3his s ARG 241 N 1.58 4.29 0.04 5.86 0.52 -1.26 -1.10 118.95 128.89 3his s ARG 241 Ca 0.02 1.18 0.04 0.00 -0.52 0.00 0.00 55.73 56.45 3his s ARG 241 Cb -0.18 -3.60 -0.02 0.00 0.52 0.00 0.00 34.95 31.67 3his s ARG 241 CO -0.14 -0.44 -0.12 0.14 0.02 0.00 0.00 175.30 174.76 3his s VAL 242 N 2.54 0.92 0.00 3.52 -7.23 -0.26 -4.99 120.40 114.89 3his s VAL 242 Ca 0.41 -0.95 0.00 0.00 -1.81 0.00 0.00 61.98 59.64 3his s VAL 242 Cb -0.16 -0.86 0.00 0.00 0.56 0.00 0.00 36.38 35.92 3his s VAL 242 CO 0.11 -0.07 0.00 0.35 -0.31 0.00 0.00 175.10 175.18 3his n THR 243 N 1.90 0.00 -4.22 5.32 -2.24 -1.26 -0.79 114.28 112.98 3his n THR 243 Ca -0.19 -0.09 -0.18 0.00 -2.27 0.00 0.00 64.05 61.32 3his n THR 243 Cb 0.55 0.57 -0.11 0.00 -2.10 0.00 0.00 70.33 69.23 3his n THR 243 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3his s THR 244 N -1.69 1.29 0.22 4.28 -4.23 -1.26 -1.24 115.64 113.01 3his s THR 244 Ca 0.00 -1.60 -0.05 0.00 -1.18 0.00 0.00 61.69 58.86 3his s THR 244 Cb 0.00 -1.41 0.09 0.00 1.34 0.00 0.00 72.50 72.52 3his s THR 244 CO 0.00 -0.35 1.70 0.58 -0.54 0.00 0.00 174.62 176.01 3his h VAL 245 N 3.76 1.26 -0.78 2.29 2.07 -1.04 -3.22 116.25 120.58 3his h VAL 245 Ca -0.40 -1.11 0.06 0.00 0.82 0.00 0.00 66.70 66.07 3his h VAL 245 Cb 1.19 0.88 -0.05 0.00 -1.52 0.00 0.00 31.29 31.79 3his h VAL 245 CO 0.47 0.39 0.51 0.00 0.02 0.00 0.00 177.57 178.97 3his h ALA 246 N 1.13 1.64 0.00 1.67 0.00 -1.97 -2.74 119.26 119.00 3his h ALA 246 Ca 0.15 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3his h ALA 246 Cb 0.53 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.10 3his h ALA 246 CO 0.03 0.24 0.00 1.05 0.00 0.00 0.00 179.25 180.57 3his h GLU 247 N 0.84 0.00 -0.02 0.00 4.11 -1.96 -2.75 114.58 114.81 3his h GLU 247 Ca 0.34 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.77 3his h GLU 247 Cb 0.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.48 3his h GLU 247 CO -0.12 0.00 -0.04 1.33 0.07 0.00 0.00 179.01 180.25 3his n VAL 248 N -2.73 0.00 -3.58 -1.06 0.24 -1.03 -5.00 118.33 105.18 3his n VAL 248 Ca 0.02 -0.37 -0.24 0.00 -2.04 0.00 0.00 64.34 61.72 3his n VAL 248 Cb 0.34 1.03 0.03 0.00 -1.47 0.00 0.00 33.84 33.76 3his n VAL 248 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3his n GLU 249 N 0.70 -1.31 -2.28 7.34 1.02 -1.04 -4.36 120.64 120.70 3his n GLU 249 Ca 0.16 0.72 -0.39 0.00 -0.02 0.00 0.00 57.16 57.63 3his n GLU 249 Cb 0.48 -4.11 -0.02 0.00 -0.02 0.00 0.00 31.44 27.77 3his n GLU 249 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3his s ILE 250 N -3.28 3.11 -0.19 -3.67 -1.09 -1.26 -0.90 121.20 113.92 3his s ILE 250 Ca 0.29 1.01 -0.15 0.00 -2.23 0.00 0.00 60.65 59.57 3his s ILE 250 Cb -0.10 -3.60 -0.10 0.00 -1.58 0.00 0.00 42.46 37.08 3his s ILE 250 CO 0.84 0.16 -0.12 0.61 -1.23 0.00 0.00 174.94 175.21 3his n GLY 251 N 0.78 -0.76 3.29 6.18 0.00 0.98 -4.16 105.19 111.50 3his n GLY 251 Ca 0.02 -0.10 -0.13 0.00 0.00 0.00 0.00 46.02 45.81 3his n GLY 251 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3his s ILE 252 N -2.44 -0.00 0.30 -0.61 2.07 -0.83 -4.36 121.20 115.32 3his s ILE 252 Ca -0.26 0.01 -0.22 0.00 -1.41 0.00 0.00 60.65 58.77 3his s ILE 252 Cb 0.06 -0.57 -0.09 0.00 0.13 0.00 0.00 42.46 41.99 3his s ILE 252 CO 0.42 0.00 0.83 -0.36 -1.91 0.00 0.00 174.94 173.93 3his s PHE 253 N 0.32 3.59 0.34 3.50 0.08 -0.41 -4.74 117.98 120.66 3his s PHE 253 Ca -0.01 1.54 -0.28 0.00 0.12 0.00 0.00 56.93 58.30 3his s PHE 253 Cb -0.03 -2.75 -0.10 0.00 -0.57 0.00 0.00 43.02 39.57 3his s PHE 253 CO -0.01 0.21 1.28 -1.17 -0.10 0.00 0.00 175.22 175.44 3his s LEU 254 N -2.27 4.40 -0.31 -0.37 2.96 -1.26 -1.42 118.68 120.41 3his s LEU 254 Ca 0.49 2.64 -0.29 0.00 -0.22 0.00 0.00 54.13 56.75 3his s LEU 254 Cb -0.16 -3.69 0.00 0.00 0.50 0.00 0.00 46.19 42.85 3his s LEU 254 CO 0.21 -0.54 1.27 0.21 -1.32 0.00 0.00 176.35 176.17 3his s ASN 255 N -0.57 6.71 -0.15 3.68 2.47 -1.26 -4.76 114.94 121.06 3his s ASN 255 Ca 0.50 1.17 0.15 0.00 0.42 0.00 0.00 52.86 55.10 3his s ASN 255 Cb -0.39 -2.54 0.56 0.00 -1.45 0.00 0.00 41.25 37.43 3his s ASN 255 CO 0.51 -1.06 1.47 1.33 -3.72 0.00 0.00 177.10 175.63 3his n VAL 256 N 6.18 2.08 1.09 -5.21 0.24 -1.26 -5.06 118.33 116.38 3his n VAL 256 Ca 0.14 -1.57 0.09 0.00 -2.04 0.00 0.00 64.34 60.96 3his n VAL 256 Cb 0.47 -0.08 0.52 0.00 -1.47 0.00 0.00 33.84 33.28 3his n VAL 256 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16