#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1peq n VAL 9 N 0.00 0.00 -2.78 8.89 0.31 -1.26 -3.51 118.33 119.99 1peq n VAL 9 Ca 0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1peq n VAL 9 Cb 0.00 -0.21 0.00 0.00 -0.91 0.00 0.00 33.84 32.72 1peq n VAL 9 CO 0.00 0.00 0.00 0.23 -1.32 0.00 0.00 176.83 175.74 1peq n MET 10 N 3.27 -3.14 -4.33 5.55 2.81 -1.26 -5.06 117.12 114.95 1peq n MET 10 Ca 0.24 2.57 -0.19 0.00 -1.81 0.00 0.00 57.70 58.51 1peq n MET 10 Cb -0.01 -4.89 -0.13 0.00 -0.71 0.00 0.00 33.22 27.47 1peq n MET 10 CO 0.00 0.00 0.00 -1.14 1.51 0.00 0.00 175.97 176.34 1peq s GLN 11 N -1.58 0.84 0.00 0.03 0.74 -1.23 -5.16 119.66 113.30 1peq s GLN 11 Ca 0.00 -0.64 0.00 0.00 0.05 0.00 0.00 55.36 54.78 1peq s GLN 11 Cb -0.00 -0.81 0.00 0.00 1.10 0.00 0.00 33.01 33.30 1peq s GLN 11 CO 0.70 0.20 0.00 0.39 -0.55 0.00 0.00 175.29 176.03 1peq n GLU 12 N 2.12 2.15 -2.91 1.67 -0.58 -1.26 -4.92 120.64 116.91 1peq n GLU 12 Ca -0.17 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.57 1peq n GLU 12 Cb 0.55 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.42 1peq n GLU 12 CO 0.00 0.00 0.00 -2.37 -0.48 0.00 0.00 177.13 174.28 1peq n THR 13 N -0.10 -1.71 -1.49 2.62 5.66 -1.26 -4.96 114.28 113.05 1peq n THR 13 Ca 0.00 0.40 0.06 0.00 -3.05 0.00 0.00 64.05 61.47 1peq n THR 13 Cb 0.00 -2.66 0.10 0.00 -1.55 0.00 0.00 70.33 66.23 1peq n THR 13 CO 0.00 0.00 0.00 0.23 -3.05 0.00 0.00 175.07 172.25 1peq n MET 14 N 1.33 0.90 -2.99 1.09 2.81 -1.26 -4.96 117.12 114.04 1peq n MET 14 Ca 0.00 -2.22 -0.44 0.00 -1.81 0.00 0.00 57.70 53.23 1peq n MET 14 Cb 0.40 -1.15 -0.04 0.00 -0.71 0.00 0.00 33.22 31.73 1peq n MET 14 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 1peq s ASP 15 N -2.37 6.31 0.33 7.83 2.15 -1.26 -4.85 116.67 124.82 1peq s ASP 15 Ca 0.24 -1.49 0.01 0.00 0.43 0.00 0.00 52.55 51.75 1peq s ASP 15 Cb 0.23 -2.36 0.57 0.00 -0.30 0.00 0.00 42.92 41.05 1peq s ASP 15 CO -0.01 -1.19 1.96 0.10 -0.17 0.00 0.00 175.17 175.86 1peq h TYR 16 N 9.16 0.82 -0.08 -5.34 -0.00 -1.88 -1.94 116.97 117.71 1peq h TYR 16 Ca -0.17 -0.01 -0.02 0.00 -0.00 0.00 0.00 58.73 58.54 1peq h TYR 16 Cb 1.06 -0.27 -0.00 0.00 -0.00 0.00 0.00 36.73 37.53 1peq h TYR 16 CO 0.97 0.56 -0.02 0.45 -0.00 0.00 0.00 178.16 180.13 1peq h HIS 17 N 0.85 0.16 -0.62 0.10 3.86 -1.92 -0.23 115.15 117.35 1peq h HIS 17 Ca 0.22 -0.03 0.09 0.00 -1.16 0.00 0.00 60.37 59.48 1peq h HIS 17 Cb 0.01 -0.04 -0.07 0.00 1.06 0.00 0.00 27.41 28.37 1peq h HIS 17 CO 0.00 0.46 0.25 0.00 0.86 0.00 0.00 177.93 179.51 1peq h ALA 18 N 0.68 0.80 -0.82 2.45 0.00 -1.94 0.20 119.26 120.63 1peq h ALA 18 Ca 0.02 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 1peq h ALA 18 Cb 0.41 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 1peq h ALA 18 CO 0.01 -0.16 0.37 -0.07 0.00 0.00 0.00 179.25 179.40 1peq h LEU 19 N 0.45 1.10 -0.67 0.00 3.38 -1.12 -2.23 115.31 116.22 1peq h LEU 19 Ca 0.31 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 58.11 1peq h LEU 19 Cb 0.35 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 1peq h LEU 19 CO -0.29 0.95 0.35 -1.13 0.09 0.00 0.00 178.44 178.42 1peq h ASN 20 N 1.18 0.85 0.06 -0.43 -1.24 0.63 -1.45 115.58 115.18 1peq h ASN 20 Ca 0.28 -0.11 -0.00 0.00 0.71 0.00 0.00 56.30 57.18 1peq h ASN 20 Cb 0.16 -0.22 -0.00 0.00 0.73 0.00 0.00 38.32 38.99 1peq h ASN 20 CO -0.03 0.72 -0.01 0.00 -1.29 0.00 0.00 177.43 176.82 1peq h ALA 21 N 1.17 1.25 0.00 1.57 0.00 -0.09 0.15 119.26 123.31 1peq h ALA 21 Ca 0.23 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 1peq h ALA 21 Cb 0.07 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 1peq h ALA 21 CO -0.04 0.01 -0.01 0.52 0.00 0.00 0.00 179.25 179.74 1peq h MET 22 N 0.00 0.00 0.00 0.00 2.86 -0.90 0.13 114.93 117.02 1peq h MET 22 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1peq h MET 22 Cb 0.04 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.70 1peq h MET 22 CO 0.00 0.01 0.00 -0.07 1.06 0.00 0.00 176.91 177.91 1peq h LEU 23 N 0.00 0.00 -2.63 1.22 3.38 -0.83 -2.33 115.31 114.13 1peq h LEU 23 Ca -0.00 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 1peq h LEU 23 Cb 0.33 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.02 1peq h LEU 23 CO 0.00 0.00 0.13 -3.20 0.09 0.00 0.00 178.44 175.46 1peq n ASN 24 N -3.05 3.51 -4.36 -0.43 4.05 0.45 -4.87 115.26 110.56 1peq n ASN 24 Ca -0.02 -2.63 -0.31 0.00 0.45 0.00 0.00 54.58 52.07 1peq n ASN 24 Cb 0.14 -0.63 -0.15 0.00 1.23 0.00 0.00 39.78 40.37 1peq n ASN 24 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 1peq s LEU 25 N -1.59 2.23 0.00 1.20 1.02 -0.88 -5.14 118.68 115.54 1peq s LEU 25 Ca 0.30 -0.41 0.07 0.00 0.02 0.00 0.00 54.13 54.11 1peq s LEU 25 Cb 0.24 -1.39 -0.03 0.00 0.02 0.00 0.00 46.19 45.03 1peq s LEU 25 CO 0.08 0.32 -0.21 -0.31 0.02 0.00 0.00 176.35 176.25 1peq s TYR 26 N -0.66 2.48 0.42 0.29 2.02 -1.26 -4.38 117.35 116.26 1peq s TYR 26 Ca 0.11 -0.32 0.02 0.00 -0.37 0.00 0.00 57.07 56.51 1peq s TYR 26 Cb -0.10 -1.50 -0.00 0.00 -0.40 0.00 0.00 41.96 39.96 1peq s TYR 26 CO -0.00 0.13 0.61 0.16 -1.57 0.00 0.00 175.55 174.88 1peq s ASP 27 N -1.00 5.83 0.37 2.29 3.84 -0.23 -4.86 116.67 122.92 1peq s ASP 27 Ca 0.12 0.11 0.08 0.00 -0.00 0.00 0.00 52.55 52.86 1peq s ASP 27 Cb -0.10 -1.38 0.41 0.00 -1.38 0.00 0.00 42.92 40.47 1peq s ASP 27 CO 0.02 -0.65 1.08 0.07 -0.00 0.00 0.00 175.17 175.69 1peq h LYS 28 N 0.53 0.00 -0.53 2.11 2.10 -2.00 1.98 116.57 120.76 1peq h LYS 28 Ca -0.46 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.19 1peq h LYS 28 Cb 1.26 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.59 1peq h LYS 28 CO 0.55 0.00 0.00 0.00 -2.00 0.00 0.00 179.45 178.00 1peq n ALA 29 N -1.44 2.33 -2.62 0.07 0.00 -1.26 -4.96 120.51 112.64 1peq n ALA 29 Ca -0.01 -1.27 -0.10 0.00 0.00 0.00 0.00 53.44 52.07 1peq n ALA 29 Cb 0.56 -0.69 0.02 0.00 0.00 0.00 0.00 19.45 19.33 1peq n ALA 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1peq n GLY 30 N 1.03 0.17 3.58 0.00 0.00 0.67 -5.04 105.19 105.60 1peq n GLY 30 Ca 0.18 -0.38 -0.25 0.00 0.00 0.00 0.00 46.02 45.58 1peq n GLY 30 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1peq s HIS 31 N -2.83 2.60 0.03 1.61 3.76 -1.25 -4.79 115.29 114.43 1peq s HIS 31 Ca 0.14 -0.24 0.07 0.00 -0.15 0.00 0.00 55.06 54.88 1peq s HIS 31 Cb -0.06 -1.21 -0.03 0.00 1.11 0.00 0.00 32.58 32.39 1peq s HIS 31 CO 0.17 0.58 -0.17 0.42 -0.85 0.00 0.00 174.74 174.90 1peq s ILE 32 N -2.04 2.87 -1.30 0.60 1.01 -1.26 -1.06 121.20 120.01 1peq s ILE 32 Ca 0.28 -1.13 -0.14 0.00 0.00 0.00 0.00 60.65 59.66 1peq s ILE 32 Cb -0.07 -2.21 0.11 0.00 0.01 0.00 0.00 42.46 40.31 1peq s ILE 32 CO 0.17 0.36 1.78 0.00 0.00 0.00 0.00 174.94 177.25 1peq n GLN 33 N 1.60 3.27 0.20 2.79 6.02 -1.26 -4.82 117.38 125.17 1peq n GLN 33 Ca -0.16 -3.36 0.18 0.00 -0.01 0.00 0.00 57.00 53.65 1peq n GLN 33 Cb 0.52 -3.20 0.82 0.00 1.02 0.00 0.00 30.24 29.41 1peq n GLN 33 CO 0.00 0.00 0.00 0.74 -1.01 0.00 0.00 177.06 176.79 1peq h PHE 34 N 6.73 0.00 -0.17 1.08 0.04 -1.97 -1.69 116.94 120.96 1peq h PHE 34 Ca 0.42 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 61.18 1peq h PHE 34 Cb 0.77 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.91 1peq h PHE 34 CO 1.30 0.00 0.02 0.22 -0.60 0.00 0.00 178.31 179.25 1peq h ASP 35 N 0.00 0.22 -0.01 2.17 3.58 -2.00 -2.45 116.42 117.91 1peq h ASP 35 Ca 0.10 -0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.53 1peq h ASP 35 Cb 0.67 -0.06 -0.00 0.00 1.72 0.00 0.00 39.33 41.66 1peq h ASP 35 CO -0.00 0.25 0.01 0.11 -2.88 0.00 0.00 179.24 176.73 1peq h LYS 36 N 0.24 0.00 -0.24 0.28 6.56 -1.62 -1.45 116.57 120.34 1peq h LYS 36 Ca 0.06 0.00 -0.04 0.00 -1.06 0.00 0.00 60.65 59.61 1peq h LYS 36 Cb 0.14 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 31.79 1peq h LYS 36 CO 0.00 0.00 0.00 0.22 -2.06 0.00 0.00 179.45 177.61 1peq h ASP 37 N 0.00 0.41 -0.56 0.86 -0.00 -1.64 0.61 116.42 116.10 1peq h ASP 37 Ca 0.01 -0.30 0.04 0.00 -0.00 0.00 0.00 57.03 56.77 1peq h ASP 37 Cb 0.03 -0.11 -0.04 0.00 -0.00 0.00 0.00 39.33 39.20 1peq h ASP 37 CO -0.00 0.62 0.31 -0.61 -0.00 0.00 0.00 179.24 179.56 1peq h GLN 38 N 0.20 0.59 0.00 0.28 5.75 -1.43 0.83 115.11 121.32 1peq h GLN 38 Ca 0.07 -0.04 -0.02 0.00 -0.15 0.00 0.00 58.65 58.52 1peq h GLN 38 Cb 0.40 -0.13 -0.00 0.00 1.07 0.00 0.00 27.48 28.82 1peq h GLN 38 CO 0.01 0.39 -0.07 1.96 -2.65 0.00 0.00 178.83 178.47 1peq h GLN 39 N 0.61 0.00 -0.33 1.69 4.20 -0.61 0.17 115.11 120.84 1peq h GLN 39 Ca 0.24 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.83 1peq h GLN 39 Cb 0.09 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.87 1peq h GLN 39 CO -0.13 0.07 -0.27 0.00 -0.67 0.00 0.00 178.83 177.83 1peq h ALA 40 N 1.93 0.48 0.44 3.87 0.00 0.28 -2.19 119.26 124.07 1peq h ALA 40 Ca -0.00 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 1peq h ALA 40 Cb 0.22 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1peq h ALA 40 CO 0.01 0.48 -0.31 0.82 0.00 0.00 0.00 179.25 180.25 1peq h ILE 41 N 0.54 0.35 -0.74 0.00 2.04 0.21 -0.60 117.51 119.32 1peq h ILE 41 Ca 0.06 0.00 0.13 0.00 1.00 0.00 0.00 64.86 66.05 1peq h ILE 41 Cb 0.84 0.35 -0.09 0.00 -0.74 0.00 0.00 36.82 37.18 1peq h ILE 41 CO 0.07 0.00 0.30 0.44 0.00 0.00 0.00 178.15 178.96 1peq h ASP 42 N -0.74 0.29 0.65 1.72 3.45 -1.42 0.28 116.42 120.66 1peq h ASP 42 Ca -0.04 0.10 -0.08 0.00 0.43 0.00 0.00 57.03 57.43 1peq h ASP 42 Cb 0.62 0.07 -0.01 0.00 -0.56 0.00 0.00 39.33 39.45 1peq h ASP 42 CO 0.02 0.13 -0.40 0.00 -1.57 0.00 0.00 179.24 177.41 1peq h ALA 43 N 1.52 1.10 -0.22 3.45 0.00 -1.09 -1.99 119.26 122.04 1peq h ALA 43 Ca 0.40 -0.37 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 1peq h ALA 43 Cb 0.57 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1peq h ALA 43 CO -0.38 0.50 -0.13 0.35 0.00 0.00 0.00 179.25 179.59 1peq h PHE 44 N 0.00 0.56 -0.49 0.00 3.57 0.11 -1.19 116.94 119.50 1peq h PHE 44 Ca -0.00 -0.14 -0.02 0.00 3.53 0.00 0.00 57.97 61.33 1peq h PHE 44 Cb 0.83 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 39.43 1peq h PHE 44 CO 0.00 0.77 0.21 0.74 -2.23 0.00 0.00 178.31 177.81 1peq h PHE 45 N 0.18 0.73 -0.13 0.41 0.04 -1.01 0.72 116.94 117.89 1peq h PHE 45 Ca 0.05 -0.05 -0.16 0.00 2.80 0.00 0.00 57.97 60.61 1peq h PHE 45 Cb 0.64 -0.22 0.01 0.00 2.20 0.00 0.00 35.95 38.57 1peq h PHE 45 CO 0.07 0.60 -0.55 0.00 -0.60 0.00 0.00 178.31 177.83 1peq h ALA 46 N 1.06 0.24 0.00 2.45 0.00 -1.30 0.64 119.26 122.35 1peq h ALA 46 Ca 0.17 -0.52 -0.18 0.00 0.00 0.00 0.00 54.91 54.38 1peq h ALA 46 Cb 0.16 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 1peq h ALA 46 CO -0.02 0.45 -1.42 1.15 0.00 0.00 0.00 179.25 179.42 1peq h THR 47 N 0.23 0.52 0.00 0.00 2.02 -1.25 -3.41 112.91 111.03 1peq h THR 47 Ca -0.03 -2.04 0.00 0.00 0.77 0.00 0.00 66.41 65.11 1peq h THR 47 Cb 1.19 2.06 0.00 0.00 -1.74 0.00 0.00 68.15 69.66 1peq h THR 47 CO 0.11 0.30 0.00 1.57 0.37 0.00 0.00 175.52 177.87 1peq n HIS 48 N -2.91 -0.02 0.34 3.16 -0.00 0.08 -4.70 115.22 111.18 1peq n HIS 48 Ca -0.10 0.00 -0.13 0.00 -0.00 0.00 0.00 57.72 57.49 1peq n HIS 48 Cb 0.85 0.01 -0.06 0.00 -0.00 0.00 0.00 29.99 30.78 1peq n HIS 48 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.34 176.62 1peq h VAL 49 N 0.00 0.00 -0.16 3.57 2.07 -0.83 -2.72 116.25 118.19 1peq h VAL 49 Ca 0.00 -0.05 0.05 0.00 0.82 0.00 0.00 66.70 67.52 1peq h VAL 49 Cb 0.00 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 29.71 1peq h VAL 49 CO 0.00 0.00 -0.27 0.03 0.02 0.00 0.00 177.57 177.35 1peq h ARG 50 N -0.93 -0.31 -0.06 1.57 3.08 -1.13 -1.76 114.38 114.85 1peq h ARG 50 Ca -0.09 0.02 0.02 0.00 0.07 0.00 0.00 59.98 60.00 1peq h ARG 50 Cb 0.67 0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.79 1peq h ARG 50 CO 0.15 -0.21 0.23 -1.35 -1.07 0.00 0.00 179.97 177.73 1peq h PRO 51 N -0.32 0.00 -0.07 0.04 0.11 -1.76 -2.72 132.00 127.28 1peq h PRO 51 Ca 0.11 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.22 1peq h PRO 51 Cb 0.49 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.60 1peq h PRO 51 CO -0.34 0.00 0.00 0.72 -0.21 0.00 0.00 178.00 178.17 1peq n HIS 52 N -3.14 0.10 -3.47 0.65 8.25 -0.74 -5.00 115.22 111.87 1peq n HIS 52 Ca -0.01 -0.44 -0.34 0.00 -0.26 0.00 0.00 57.72 56.66 1peq n HIS 52 Cb 0.31 -0.04 -0.06 0.00 1.12 0.00 0.00 29.99 31.32 1peq n HIS 52 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1peq s SER 53 N -0.91 6.71 -0.27 0.41 0.01 -0.74 -0.35 113.70 118.55 1peq s SER 53 Ca 0.05 0.92 -0.18 0.00 1.31 0.00 0.00 55.95 58.05 1peq s SER 53 Cb 0.03 -2.22 -0.03 0.00 0.21 0.00 0.00 66.02 64.01 1peq s SER 53 CO 0.04 0.11 0.50 -0.69 0.41 0.00 0.00 173.24 173.60 1peq s VAL 54 N -1.49 5.08 -0.15 3.43 1.01 -0.82 -4.90 120.40 122.55 1peq s VAL 54 Ca 0.37 0.78 -0.06 0.00 0.00 0.00 0.00 61.98 63.07 1peq s VAL 54 Cb -0.14 -3.83 -0.04 0.00 0.00 0.00 0.00 36.38 32.38 1peq s VAL 54 CO 0.19 0.06 0.04 -0.89 0.00 0.00 0.00 175.10 174.50 1peq s THR 55 N 2.29 4.64 0.28 3.92 2.01 -1.26 -4.91 115.64 122.61 1peq s THR 55 Ca 0.20 -0.10 0.06 0.00 0.31 0.00 0.00 61.69 62.17 1peq s THR 55 Cb -0.16 -3.05 -0.03 0.00 0.01 0.00 0.00 72.50 69.28 1peq s THR 55 CO 0.10 0.51 0.32 -0.36 -0.69 0.00 0.00 174.62 174.50 1peq s PHE 56 N -0.04 3.16 0.52 4.92 0.40 -1.26 -5.00 117.98 120.68 1peq s PHE 56 Ca 0.05 -0.15 0.26 0.00 -0.60 0.00 0.00 56.93 56.49 1peq s PHE 56 Cb -0.12 -1.66 1.58 0.00 0.51 0.00 0.00 43.02 43.32 1peq s PHE 56 CO 0.01 0.31 2.17 0.00 0.70 0.00 0.00 175.22 178.41 1peq h ALA 57 N 1.22 1.53 -2.48 5.36 0.00 -1.99 -3.46 119.26 119.45 1peq h ALA 57 Ca -0.48 -0.05 0.16 0.00 0.00 0.00 0.00 54.91 54.54 1peq h ALA 57 Cb 1.24 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.95 1peq h ALA 57 CO 0.59 0.06 0.43 -1.54 0.00 0.00 0.00 179.25 178.79 1peq s SER 58 N -6.35 -0.20 0.15 0.00 1.04 -1.26 -5.01 113.70 102.07 1peq s SER 58 Ca -0.04 -0.44 -0.14 0.00 0.48 0.00 0.00 55.95 55.81 1peq s SER 58 Cb 0.15 0.54 0.04 0.00 0.10 0.00 0.00 66.02 66.84 1peq s SER 58 CO 0.59 -0.99 1.71 -0.61 0.98 0.00 0.00 173.24 174.92 1peq h GLN 59 N 2.00 0.76 -0.31 4.02 5.75 -1.98 -1.98 115.11 123.37 1peq h GLN 59 Ca -0.23 -0.14 0.04 0.00 -0.15 0.00 0.00 58.65 58.18 1peq h GLN 59 Cb 1.23 -0.12 -0.04 0.00 1.07 0.00 0.00 27.48 29.62 1peq h GLN 59 CO 0.25 0.67 0.07 1.25 -2.65 0.00 0.00 178.83 178.41 1peq h HIS 60 N 0.68 0.11 0.00 3.99 2.76 -1.99 0.47 115.15 121.17 1peq h HIS 60 Ca 0.17 0.02 -0.04 0.00 -2.20 0.00 0.00 60.37 58.32 1peq h HIS 60 Cb 0.19 -0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.14 1peq h HIS 60 CO 0.00 0.03 -0.19 0.93 -1.30 0.00 0.00 177.93 177.41 1peq h GLU 61 N 0.18 0.00 0.16 5.26 5.08 -1.87 -2.14 114.58 121.25 1peq h GLU 61 Ca 0.14 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.49 1peq h GLU 61 Cb 0.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.40 1peq h GLU 61 CO -0.18 0.19 -0.08 -0.09 -1.00 0.00 0.00 179.01 177.85 1peq h ARG 62 N 0.00 -0.21 -0.46 2.33 2.43 -0.27 0.43 114.38 118.63 1peq h ARG 62 Ca -0.00 0.01 0.09 0.00 -0.81 0.00 0.00 59.98 59.27 1peq h ARG 62 Cb 0.61 0.05 -0.08 0.00 -0.42 0.00 0.00 29.97 30.12 1peq h ARG 62 CO 0.02 0.23 -0.09 -0.07 -1.51 0.00 0.00 179.97 178.55 1peq h LEU 63 N -0.80 -0.37 -0.37 3.80 3.38 -0.87 0.53 115.31 120.60 1peq h LEU 63 Ca -0.02 0.13 0.07 0.00 0.09 0.00 0.00 57.88 58.15 1peq h LEU 63 Cb 0.53 0.26 -0.09 0.00 0.09 0.00 0.00 40.66 41.45 1peq h LEU 63 CO 0.04 -0.13 -0.40 1.23 0.09 0.00 0.00 178.44 179.27 1peq h GLY 64 N 0.02 -0.49 1.01 0.83 0.00 -1.22 0.31 103.07 103.54 1peq h GLY 64 Ca 0.22 0.51 -0.07 0.00 0.00 0.00 0.00 47.33 47.99 1peq h GLY 64 CO -0.45 -0.19 0.05 -0.84 0.00 0.00 0.00 176.54 175.10 1peq h THR 65 N -0.32 1.26 -0.42 4.70 2.02 0.87 0.00 112.91 121.01 1peq h THR 65 Ca 0.14 -1.01 -0.05 0.00 0.77 0.00 0.00 66.41 66.26 1peq h THR 65 Cb 0.58 0.90 -0.02 0.00 -1.74 0.00 0.00 68.15 67.87 1peq h THR 65 CO -0.54 0.36 0.04 -0.07 0.37 0.00 0.00 175.52 175.68 1peq h LEU 66 N 0.76 0.61 -0.36 2.58 3.38 0.21 -0.30 115.31 122.19 1peq h LEU 66 Ca 0.15 -0.12 -0.19 0.00 0.09 0.00 0.00 57.88 57.82 1peq h LEU 66 Cb 0.46 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 1peq h LEU 66 CO 0.02 0.65 -0.80 0.58 0.09 0.00 0.00 178.44 178.98 1peq h VAL 67 N 0.63 1.44 -0.30 1.22 2.07 -0.15 -1.14 116.25 120.02 1peq h VAL 67 Ca 0.14 -2.38 -0.09 0.00 0.82 0.00 0.00 66.70 65.18 1peq h VAL 67 Cb 0.33 2.30 -0.01 0.00 -1.52 0.00 0.00 31.29 32.39 1peq h VAL 67 CO 0.01 0.70 -0.18 -0.09 0.02 0.00 0.00 177.57 178.03 1peq h ARG 68 N 0.17 0.65 -0.12 1.57 2.43 0.60 -2.88 114.38 116.80 1peq h ARG 68 Ca -0.04 -0.30 0.00 0.00 -0.81 0.00 0.00 59.98 58.83 1peq h ARG 68 Cb 1.40 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.94 1peq h ARG 68 CO 0.13 0.89 0.00 0.39 -1.51 0.00 0.00 179.97 179.87 1peq n GLU 69 N -4.36 1.34 -1.88 0.20 1.02 -0.33 -4.91 120.64 111.71 1peq n GLU 69 Ca -0.03 -0.52 0.00 0.00 -0.02 0.00 0.00 57.16 56.59 1peq n GLU 69 Cb 0.40 -1.20 0.00 0.00 -0.02 0.00 0.00 31.44 30.62 1peq n GLU 69 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1peq n GLY 70 N 0.82 0.47 0.14 0.62 0.00 -1.09 -4.99 105.19 101.15 1peq n GLY 70 Ca 0.09 -0.83 -0.29 0.00 0.00 0.00 0.00 46.02 44.98 1peq n GLY 70 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1peq n TYR 71 N -3.81 0.05 -4.03 1.61 4.02 -0.50 -4.37 117.16 110.13 1peq n TYR 71 Ca 0.00 0.02 -0.32 0.00 -0.01 0.00 0.00 57.90 57.59 1peq n TYR 71 Cb 0.47 -1.00 -0.06 0.00 -0.02 0.00 0.00 39.34 38.72 1peq n TYR 71 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 176.86 176.56 1peq s TYR 72 N -2.50 3.34 -0.38 -0.72 4.12 -0.78 -0.97 117.35 119.46 1peq s TYR 72 Ca -0.38 0.21 -0.22 0.00 0.02 0.00 0.00 57.07 56.70 1peq s TYR 72 Cb 0.14 -1.73 0.01 0.00 -1.52 0.00 0.00 41.96 38.86 1peq s TYR 72 CO 0.50 0.57 0.74 0.34 0.02 0.00 0.00 175.55 177.72 1peq s ASP 73 N -2.00 6.48 0.63 2.29 3.68 -0.74 -4.35 116.67 122.66 1peq s ASP 73 Ca 0.26 0.18 0.39 0.00 2.13 0.00 0.00 52.55 55.51 1peq s ASP 73 Cb -0.12 -2.37 2.10 0.00 -1.45 0.00 0.00 42.92 41.07 1peq s ASP 73 CO 0.18 -0.74 2.28 -0.78 0.13 0.00 0.00 175.17 176.24 1peq h ASP 74 N 8.60 0.00 0.28 -0.34 1.82 -1.92 -1.78 116.42 123.09 1peq h ASP 74 Ca -0.25 0.00 -0.02 0.00 -0.39 0.00 0.00 57.03 56.37 1peq h ASP 74 Cb 1.10 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 41.10 1peq h ASP 74 CO 0.90 0.01 -0.11 0.00 -1.61 0.00 0.00 179.24 178.44 1peq h ALA 75 N 1.99 1.37 0.08 -0.78 0.00 -1.97 -0.11 119.26 119.84 1peq h ALA 75 Ca -0.00 -0.10 -0.13 0.00 0.00 0.00 0.00 54.91 54.68 1peq h ALA 75 Cb 0.09 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 17.87 1peq h ALA 75 CO 0.00 0.13 -0.56 0.28 0.00 0.00 0.00 179.25 179.10 1peq h VAL 76 N 0.00 1.57 -0.38 0.00 2.07 -1.70 -3.17 116.25 114.64 1peq h VAL 76 Ca -0.00 -2.39 -0.03 0.00 0.82 0.00 0.00 66.70 65.10 1peq h VAL 76 Cb 0.28 3.13 -0.02 0.00 -1.52 0.00 0.00 31.29 33.16 1peq h VAL 76 CO 0.01 0.66 0.09 -0.07 0.02 0.00 0.00 177.57 178.29 1peq h LEU 77 N -0.49 0.51 0.00 2.57 3.38 -1.56 -2.82 115.31 116.90 1peq h LEU 77 Ca -0.09 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.81 1peq h LEU 77 Cb 1.41 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 42.03 1peq h LEU 77 CO 0.11 0.52 0.00 0.00 0.09 0.00 0.00 178.44 179.15 1peq n ALA 78 N -2.47 1.65 0.06 1.53 0.00 -0.07 -2.04 120.51 119.16 1peq n ALA 78 Ca 0.02 -0.04 0.09 0.00 0.00 0.00 0.00 53.44 53.51 1peq n ALA 78 Cb 0.19 -1.12 0.27 0.00 0.00 0.00 0.00 19.45 18.79 1peq n ALA 78 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1peq n ARG 79 N -1.13 2.59 -4.03 0.00 1.74 -1.07 -4.90 116.66 109.87 1peq n ARG 79 Ca 0.04 -2.14 -0.08 0.00 -0.77 0.00 0.00 57.85 54.90 1peq n ARG 79 Cb 0.04 -1.55 -0.10 0.00 -1.02 0.00 0.00 32.46 29.83 1peq n ARG 79 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 1peq s TYR 80 N -1.39 0.39 -0.08 -1.55 1.51 -0.87 -4.28 117.35 111.08 1peq s TYR 80 Ca 0.39 -0.83 -0.30 0.00 -1.01 0.00 0.00 57.07 55.33 1peq s TYR 80 Cb 0.22 -0.29 -0.05 0.00 -0.11 0.00 0.00 41.96 41.73 1peq s TYR 80 CO 0.24 -0.34 1.65 -0.51 -1.11 0.00 0.00 175.55 175.48 1peq s ASP 81 N -2.44 6.63 0.36 2.29 -0.00 -1.26 -4.82 116.67 117.42 1peq s ASP 81 Ca -0.01 2.15 0.27 0.00 -0.00 0.00 0.00 52.55 54.97 1peq s ASP 81 Cb 0.02 -2.53 1.19 0.00 -0.00 0.00 0.00 42.92 41.59 1peq s ASP 81 CO -0.07 -0.97 1.21 -1.14 -0.00 0.00 0.00 175.17 174.20 1peq n ARG 82 N 7.19 -0.02 -0.11 8.23 3.00 -1.26 0.09 116.66 133.78 1peq n ARG 82 Ca 0.17 0.95 -0.11 0.00 -0.00 0.00 0.00 57.85 58.86 1peq n ARG 82 Cb 0.43 -1.92 -0.03 0.00 0.00 0.00 0.00 32.46 30.94 1peq n ARG 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1peq h ALA 83 N 1.16 0.43 -0.81 5.13 0.00 -1.99 0.10 119.26 123.28 1peq h ALA 83 Ca 0.69 -0.28 0.04 0.00 0.00 0.00 0.00 54.91 55.36 1peq h ALA 83 Cb 2.31 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 19.94 1peq h ALA 83 CO -0.31 0.24 0.51 0.35 0.00 0.00 0.00 179.25 180.04 1peq h PHE 84 N 0.36 0.95 0.14 0.00 3.57 -0.72 0.65 116.94 121.91 1peq h PHE 84 Ca 0.08 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.61 1peq h PHE 84 Cb 0.54 -0.31 -0.02 0.00 2.79 0.00 0.00 35.95 38.95 1peq h PHE 84 CO 0.05 0.53 -0.18 0.28 -2.23 0.00 0.00 178.31 176.75 1peq h VAL 85 N 0.97 0.59 -0.49 1.41 2.07 -0.88 -0.92 116.25 119.00 1peq h VAL 85 Ca 0.33 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.84 1peq h VAL 85 Cb 0.05 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 30.39 1peq h VAL 85 CO -0.13 0.00 0.25 -0.07 0.02 0.00 0.00 177.57 177.64 1peq h LEU 86 N -0.37 0.60 -0.55 2.57 3.38 -0.32 -2.56 115.31 118.06 1peq h LEU 86 Ca 0.01 -0.04 -0.07 0.00 0.09 0.00 0.00 57.88 57.87 1peq h LEU 86 Cb 0.37 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 1peq h LEU 86 CO -0.07 0.49 0.06 0.03 0.09 0.00 0.00 178.44 179.04 1peq h ARG 87 N 0.68 0.93 -0.30 1.13 3.08 -0.13 -2.37 114.38 117.39 1peq h ARG 87 Ca 0.17 -0.27 -0.02 0.00 0.07 0.00 0.00 59.98 59.93 1peq h ARG 87 Cb 0.04 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 29.98 1peq h ARG 87 CO -0.03 0.92 0.11 1.25 -1.07 0.00 0.00 179.97 181.15 1peq h LEU 88 N 0.82 0.43 -2.04 3.04 5.85 -0.88 0.14 115.31 122.67 1peq h LEU 88 Ca 0.16 -0.18 -0.00 0.00 0.84 0.00 0.00 57.88 58.70 1peq h LEU 88 Cb 0.46 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.38 1peq h LEU 88 CO 0.02 0.50 -0.01 -0.26 -0.34 0.00 0.00 178.44 178.35 1peq h PHE 89 N 0.34 0.00 -0.03 1.25 -1.00 -1.35 0.11 116.94 116.26 1peq h PHE 89 Ca 0.10 0.00 -0.24 0.00 2.81 0.00 0.00 57.97 60.63 1peq h PHE 89 Cb 0.21 0.00 0.02 0.00 3.61 0.00 0.00 35.95 39.79 1peq h PHE 89 CO -0.00 0.01 -0.94 1.49 -1.61 0.00 0.00 178.31 177.25 1peq h GLU 90 N 0.00 0.68 -0.32 1.51 4.81 -0.78 -2.09 114.58 118.39 1peq h GLU 90 Ca -0.00 -0.70 -0.04 0.00 -0.13 0.00 0.00 59.36 58.49 1peq h GLU 90 Cb 0.01 0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.56 1peq h GLU 90 CO 0.00 1.29 0.03 1.25 -0.73 0.00 0.00 179.01 180.85 1peq h HIS 91 N 0.35 0.49 0.72 0.92 2.76 -0.01 -2.40 115.15 117.97 1peq h HIS 91 Ca -0.11 -0.04 -0.04 0.00 -2.20 0.00 0.00 60.37 57.99 1peq h HIS 91 Cb 1.60 -0.15 0.01 0.00 1.55 0.00 0.00 27.41 30.42 1peq h HIS 91 CO 0.11 0.46 -0.34 0.00 -1.30 0.00 0.00 177.93 176.85 1peq h ALA 92 N 1.58 -0.96 0.00 5.26 0.00 -0.56 -2.49 119.26 122.08 1peq h ALA 92 Ca 0.11 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1peq h ALA 92 Cb 0.26 0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1peq h ALA 92 CO 0.00 -0.90 0.00 0.72 0.00 0.00 0.00 179.25 179.07 1peq n HIS 93 N -5.42 0.00 0.50 0.00 8.25 -0.81 -1.51 115.22 116.23 1peq n HIS 93 Ca -0.12 0.00 0.10 0.00 -0.26 0.00 0.00 57.72 57.44 1peq n HIS 93 Cb 0.38 -0.03 -0.14 0.00 1.12 0.00 0.00 29.99 31.32 1peq n HIS 93 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1peq n ALA 94 N -1.03 3.75 0.22 -1.41 0.00 -0.92 -4.49 120.51 116.63 1peq n ALA 94 Ca 0.05 -0.53 0.18 0.00 0.00 0.00 0.00 53.44 53.14 1peq n ALA 94 Cb 0.03 -0.72 0.84 0.00 0.00 0.00 0.00 19.45 19.60 1peq n ALA 94 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1peq h SER 95 N 0.00 0.00 0.00 0.00 4.64 -1.03 -3.46 113.55 113.70 1peq h SER 95 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1peq h SER 95 Cb 0.70 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.79 1peq h SER 95 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 1peq n GLY 96 N -1.35 0.74 3.56 -0.77 0.00 -1.26 -5.02 105.19 101.08 1peq n GLY 96 Ca 0.02 0.00 -0.52 0.00 0.00 0.00 0.00 46.02 45.52 1peq n GLY 96 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1peq n PHE 97 N -2.44 1.17 -3.90 1.61 -0.00 -1.26 -5.02 117.46 107.63 1peq n PHE 97 Ca 0.00 0.74 -0.12 0.00 -0.00 0.00 0.00 57.45 58.07 1peq n PHE 97 Cb 0.00 -2.25 -0.14 0.00 -0.00 0.00 0.00 39.48 37.09 1peq n PHE 97 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.76 177.79 1peq s ARG 98 N -0.04 0.05 0.25 -4.13 0.52 -1.26 -5.11 118.95 109.22 1peq s ARG 98 Ca 0.80 -0.04 -0.30 0.00 -0.52 0.00 0.00 55.73 55.67 1peq s ARG 98 Cb -0.96 -0.03 -0.09 0.00 0.52 0.00 0.00 34.95 34.39 1peq s ARG 98 CO 0.51 0.01 1.13 -0.06 0.02 0.00 0.00 175.30 176.91 1peq s PHE 99 N -0.06 3.52 -0.60 -0.53 0.40 -1.26 -4.92 117.98 114.54 1peq s PHE 99 Ca -0.00 1.62 0.24 0.00 -0.60 0.00 0.00 56.93 58.18 1peq s PHE 99 Cb -0.01 -3.33 0.30 0.00 0.51 0.00 0.00 43.02 40.49 1peq s PHE 99 CO -0.00 -0.75 1.28 1.96 0.70 0.00 0.00 175.22 178.41 1peq h GLN 100 N 4.26 0.00 -3.76 0.44 1.08 -1.94 -3.48 115.11 111.71 1peq h GLN 100 Ca -0.46 0.00 -0.15 0.00 -1.45 0.00 0.00 58.65 56.59 1peq h GLN 100 Cb 1.21 0.00 -0.20 0.00 -0.05 0.00 0.00 27.48 28.44 1peq h GLN 100 CO 0.69 0.00 -0.57 0.95 -0.95 0.00 0.00 178.83 178.95 1peq s THR 101 N -3.19 0.11 0.59 -0.54 -4.23 -1.26 -4.90 115.64 102.21 1peq s THR 101 Ca 0.05 -0.90 0.29 0.00 -1.18 0.00 0.00 61.69 59.96 1peq s THR 101 Cb 0.13 -0.52 0.35 0.00 1.34 0.00 0.00 72.50 73.81 1peq s THR 101 CO 0.73 -0.49 2.20 0.15 -0.54 0.00 0.00 174.62 176.67 1peq h PHE 102 N 4.22 0.00 0.12 3.99 3.57 -1.90 -2.58 116.94 124.36 1peq h PHE 102 Ca -0.32 0.00 -0.19 0.00 3.53 0.00 0.00 57.97 60.99 1peq h PHE 102 Cb 1.20 0.00 0.01 0.00 2.79 0.00 0.00 35.95 39.95 1peq h PHE 102 CO 0.60 0.00 -0.89 1.25 -2.23 0.00 0.00 178.31 177.04 1peq h LEU 103 N 0.00 0.41 -0.43 0.59 5.85 -1.92 -2.50 115.31 117.30 1peq h LEU 103 Ca 0.03 -0.93 0.09 0.00 0.84 0.00 0.00 57.88 57.91 1peq h LEU 103 Cb 0.17 -0.13 -0.09 0.00 0.37 0.00 0.00 40.66 40.98 1peq h LEU 103 CO -0.00 1.42 -0.15 1.23 -0.34 0.00 0.00 178.44 180.60 1peq h GLY 104 N -0.34 0.23 0.88 3.75 0.00 -1.59 0.71 103.07 106.70 1peq h GLY 104 Ca -0.17 0.19 -0.04 0.00 0.00 0.00 0.00 47.33 47.31 1peq h GLY 104 CO 0.11 -0.19 -0.47 0.00 0.00 0.00 0.00 176.54 175.99 1peq h ALA 105 N 1.33 -1.25 -0.52 3.60 0.00 -1.53 0.32 119.26 121.20 1peq h ALA 105 Ca 0.21 -0.26 0.02 0.00 0.00 0.00 0.00 54.91 54.88 1peq h ALA 105 Cb 0.38 0.56 -0.03 0.00 0.00 0.00 0.00 17.79 18.70 1peq h ALA 105 CO -0.48 -1.21 0.34 2.35 0.00 0.00 0.00 179.25 180.25 1peq h TRP 106 N -1.22 0.60 -0.42 0.00 7.01 -1.16 -0.45 115.95 120.32 1peq h TRP 106 Ca -0.11 0.01 -0.06 0.00 2.11 0.00 0.00 58.89 60.84 1peq h TRP 106 Cb 0.96 -0.20 -0.02 0.00 -2.10 0.00 0.00 29.16 27.80 1peq h TRP 106 CO -0.07 0.36 0.02 -0.22 -2.79 0.00 0.00 178.44 175.74 1peq h LYS 107 N 0.63 0.73 -0.29 2.65 1.63 0.75 0.54 116.57 123.20 1peq h LYS 107 Ca 0.20 -0.22 -0.06 0.00 -0.85 0.00 0.00 60.65 59.72 1peq h LYS 107 Cb 0.03 -0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 31.58 1peq h LYS 107 CO -0.05 0.79 -0.06 0.35 -3.45 0.00 0.00 179.45 177.03 1peq h PHE 108 N 0.57 0.62 -0.28 1.91 3.04 0.67 -2.36 116.94 121.11 1peq h PHE 108 Ca 0.12 -0.13 -0.13 0.00 3.98 0.00 0.00 57.97 61.81 1peq h PHE 108 Cb 0.45 -0.15 -0.01 0.00 2.56 0.00 0.00 35.95 38.80 1peq h PHE 108 CO 0.03 0.74 -0.38 1.88 -2.02 0.00 0.00 178.31 178.57 1peq h TYR 109 N 0.31 0.75 0.00 0.41 -1.99 -1.29 -1.04 116.97 114.12 1peq h TYR 109 Ca 0.07 -0.21 -0.00 0.00 2.00 0.00 0.00 58.73 60.59 1peq h TYR 109 Cb 0.54 -0.16 -0.00 0.00 2.00 0.00 0.00 36.73 39.11 1peq h TYR 109 CO 0.05 0.92 -0.34 1.79 -0.00 0.00 0.00 178.16 180.58 1peq h THR 110 N 0.53 0.01 0.00 -2.88 1.35 -0.87 -3.40 112.91 107.64 1peq h THR 110 Ca 0.05 -1.01 0.00 0.00 -0.55 0.00 0.00 66.41 64.90 1peq h THR 110 Cb 0.89 1.84 0.00 0.00 -1.73 0.00 0.00 68.15 69.15 1peq h THR 110 CO 0.08 0.00 -0.49 -1.20 -0.25 0.00 0.00 175.52 173.66 1peq n SER 111 N -2.96 2.43 -0.08 5.36 7.64 -0.89 -4.94 113.62 120.18 1peq n SER 111 Ca 0.03 0.00 -0.08 0.00 1.01 0.00 0.00 58.87 59.83 1peq n SER 111 Cb 0.54 0.38 -0.12 0.00 -1.01 0.00 0.00 64.21 63.99 1peq n SER 111 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1peq n TYR 112 N -0.96 0.00 -2.83 1.43 4.02 -0.50 -5.05 117.16 113.28 1peq n TYR 112 Ca 0.00 0.00 -0.31 0.00 -0.01 0.00 0.00 57.90 57.58 1peq n TYR 112 Cb 0.11 -0.76 -0.04 0.00 -0.02 0.00 0.00 39.34 38.63 1peq n TYR 112 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 176.86 175.77 1peq s THR 113 N -2.37 4.69 0.10 -0.72 -1.32 -0.60 -4.88 115.64 110.54 1peq s THR 113 Ca -0.08 0.85 -0.31 0.00 -1.21 0.00 0.00 61.69 60.94 1peq s THR 113 Cb 0.05 -3.70 -0.08 0.00 -1.51 0.00 0.00 72.50 67.26 1peq s THR 113 CO 0.63 -0.47 1.42 -0.22 -2.21 0.00 0.00 174.62 173.77 1peq s LEU 114 N -3.66 4.36 0.23 9.08 0.20 -1.26 -4.94 118.68 122.68 1peq s LEU 114 Ca 0.54 2.32 0.11 0.00 0.69 0.00 0.00 54.13 57.79 1peq s LEU 114 Cb -0.10 -3.58 -0.05 0.00 -0.43 0.00 0.00 46.19 42.03 1peq s LEU 114 CO 0.27 -0.69 -0.15 -0.54 -0.29 0.00 0.00 176.35 174.95 1peq s LYS 115 N 1.43 1.84 0.65 1.98 1.02 -1.26 -0.38 119.74 125.02 1peq s LYS 115 Ca 0.66 -1.53 -0.18 0.00 0.02 0.00 0.00 55.97 54.93 1peq s LYS 115 Cb -0.37 -1.95 -0.01 0.00 -0.52 0.00 0.00 37.83 34.99 1peq s LYS 115 CO 0.30 0.38 1.26 0.95 -0.92 0.00 0.00 175.35 177.32 1peq s THR 116 N -2.09 2.18 0.55 2.17 -4.23 -0.40 -4.84 115.64 108.97 1peq s THR 116 Ca 0.27 0.11 0.28 0.00 -1.18 0.00 0.00 61.69 61.17 1peq s THR 116 Cb -0.07 -2.98 0.42 0.00 1.34 0.00 0.00 72.50 71.22 1peq s THR 116 CO 0.15 -0.03 1.94 -0.26 -0.54 0.00 0.00 174.62 175.88 1peq h PHE 117 N 0.45 0.00 0.00 3.99 0.05 -1.98 0.36 116.94 119.81 1peq h PHE 117 Ca -0.50 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.29 1peq h PHE 117 Cb 1.32 0.00 0.00 0.00 2.00 0.00 0.00 35.95 39.27 1peq h PHE 117 CO 0.43 0.00 0.00 -0.40 -0.18 0.00 0.00 178.31 178.16 1peq n ASP 118 N -4.17 0.00 0.00 2.17 3.85 -1.26 -4.90 116.55 112.24 1peq n ASP 118 Ca 0.12 -0.69 0.00 0.00 -0.71 0.00 0.00 54.79 53.51 1peq n ASP 118 Cb 0.74 -0.10 0.00 0.00 -1.35 0.00 0.00 41.12 40.41 1peq n ASP 118 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1peq n GLY 119 N 1.07 0.65 0.17 6.12 0.00 0.13 -4.92 105.19 108.41 1peq n GLY 119 Ca 0.20 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.35 1peq n GLY 119 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1peq h LYS 120 N 1.93 0.00 -3.93 1.61 1.57 -1.91 -3.46 116.57 112.38 1peq h LYS 120 Ca 0.00 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.64 1peq h LYS 120 Cb 0.03 0.00 -0.18 0.00 0.08 0.00 0.00 32.23 32.15 1peq h LYS 120 CO 0.00 0.00 -0.61 1.03 -0.57 0.00 0.00 179.45 179.30 1peq s ARG 121 N -3.17 0.50 0.17 3.15 0.52 -1.26 -4.94 118.95 113.91 1peq s ARG 121 Ca 0.08 -0.79 -0.09 0.00 -0.52 0.00 0.00 55.73 54.41 1peq s ARG 121 Cb 0.08 0.19 -0.07 0.00 0.52 0.00 0.00 34.95 35.67 1peq s ARG 121 CO 0.65 -0.11 0.48 0.71 0.02 0.00 0.00 175.30 177.05 1peq s TYR 122 N -2.45 3.49 -0.04 -0.53 1.51 0.53 -1.27 117.35 118.57 1peq s TYR 122 Ca -0.06 0.81 0.00 0.00 -1.01 0.00 0.00 57.07 56.81 1peq s TYR 122 Cb -0.02 -2.20 0.00 0.00 -0.11 0.00 0.00 41.96 39.63 1peq s TYR 122 CO -0.04 0.37 0.41 1.28 -1.11 0.00 0.00 175.55 176.46 1peq n LEU 123 N 0.22 0.83 -3.98 -1.29 4.77 0.49 -1.94 117.00 116.11 1peq n LEU 123 Ca -0.02 -0.90 -0.09 0.00 -0.03 0.00 0.00 56.01 54.97 1peq n LEU 123 Cb 0.52 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.51 1peq n LEU 123 CO 0.45 0.20 -0.29 -1.61 -1.33 0.00 0.00 177.39 174.82 1peq s GLU 124 N -0.23 0.51 0.39 3.23 2.02 -1.22 -4.95 118.70 118.45 1peq s GLU 124 Ca 0.00 -0.81 0.05 0.00 0.02 0.00 0.00 54.97 54.23 1peq s GLU 124 Cb 0.00 0.19 -0.06 0.00 0.10 0.00 0.00 34.13 34.36 1peq s GLU 124 CO 0.01 -0.11 0.03 -1.01 0.02 0.00 0.00 175.26 174.20 1peq s HIS 125 N -2.55 2.21 0.23 1.61 3.76 -1.26 -4.73 115.29 114.56 1peq s HIS 125 Ca -0.06 -0.84 -0.08 0.00 -0.15 0.00 0.00 55.06 53.93 1peq s HIS 125 Cb -0.02 -1.55 0.38 0.00 1.11 0.00 0.00 32.58 32.51 1peq s HIS 125 CO -0.05 0.23 1.64 0.35 -0.85 0.00 0.00 174.74 176.06 1peq h PHE 126 N 1.85 -0.07 0.00 1.40 3.04 -2.00 0.56 116.94 121.72 1peq h PHE 126 Ca -0.42 0.05 -0.06 0.00 3.98 0.00 0.00 57.97 61.52 1peq h PHE 126 Cb 1.25 0.14 -0.01 0.00 2.56 0.00 0.00 35.95 39.90 1peq h PHE 126 CO 0.81 -0.22 -0.27 1.05 -2.02 0.00 0.00 178.31 177.65 1peq h GLU 127 N 0.10 0.00 -0.22 1.11 9.09 -1.97 -0.45 114.58 122.24 1peq h GLU 127 Ca 0.38 0.00 -0.05 0.00 0.05 0.00 0.00 59.36 59.74 1peq h GLU 127 Cb 0.65 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.74 1peq h GLU 127 CO -0.63 0.27 -0.06 -0.44 0.05 0.00 0.00 179.01 178.20 1peq h ASP 128 N 0.00 0.44 -0.66 3.06 3.32 -1.31 0.16 116.42 121.43 1peq h ASP 128 Ca -0.00 -0.38 -0.07 0.00 0.02 0.00 0.00 57.03 56.60 1peq h ASP 128 Cb 0.51 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 39.91 1peq h ASP 128 CO 0.04 0.71 0.13 -0.09 -1.72 0.00 0.00 179.24 178.31 1peq h ARG 129 N 0.16 1.09 -0.37 3.56 9.65 -1.01 0.65 114.38 128.11 1peq h ARG 129 Ca 0.05 -0.27 -0.05 0.00 -1.10 0.00 0.00 59.98 58.61 1peq h ARG 129 Cb 0.53 -0.14 -0.01 0.00 -1.39 0.00 0.00 29.97 28.96 1peq h ARG 129 CO 0.02 0.98 0.05 0.28 2.80 0.00 0.00 179.97 184.11 1peq h VAL 130 N 1.03 1.24 0.18 0.20 2.07 -0.83 -1.69 116.25 118.46 1peq h VAL 130 Ca 0.21 -0.87 0.01 0.00 0.82 0.00 0.00 66.70 66.87 1peq h VAL 130 Cb 0.40 1.10 -0.03 0.00 -1.52 0.00 0.00 31.29 31.25 1peq h VAL 130 CO 0.01 0.29 -0.25 0.74 0.02 0.00 0.00 177.57 178.38 1peq h THR 131 N 0.45 0.45 -0.93 2.57 2.02 -0.09 0.18 112.91 117.55 1peq h THR 131 Ca 0.11 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.41 1peq h THR 131 Cb 0.38 0.45 -0.09 0.00 -1.74 0.00 0.00 68.15 67.15 1peq h THR 131 CO 0.01 0.00 0.56 0.24 0.37 0.00 0.00 175.52 176.70 1peq h MET 132 N -0.50 0.83 -0.35 6.66 2.07 -0.79 0.16 114.93 123.01 1peq h MET 132 Ca 0.01 -0.05 -0.01 0.00 -2.07 0.00 0.00 59.70 57.58 1peq h MET 132 Cb 0.49 -0.19 -0.02 0.00 -1.87 0.00 0.00 31.60 30.02 1peq h MET 132 CO -0.10 0.55 0.18 0.28 1.07 0.00 0.00 176.91 178.89 1peq h VAL 133 N 0.86 1.15 -0.83 -2.22 2.07 -0.38 0.19 116.25 117.09 1peq h VAL 133 Ca 0.47 -0.43 -0.04 0.00 0.82 0.00 0.00 66.70 67.53 1peq h VAL 133 Cb 0.52 0.79 -0.04 0.00 -1.52 0.00 0.00 31.29 31.05 1peq h VAL 133 CO -0.29 0.16 0.37 0.00 0.02 0.00 0.00 177.57 177.83 1peq h ALA 134 N 1.03 1.08 -0.51 1.67 0.00 0.11 -0.45 119.26 122.20 1peq h ALA 134 Ca 0.12 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 1peq h ALA 134 Cb 0.10 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1peq h ALA 134 CO -0.02 0.67 -0.02 -0.07 0.00 0.00 0.00 179.25 179.82 1peq h LEU 135 N 1.20 0.90 0.18 0.00 3.38 -0.33 -0.26 115.31 120.38 1peq h LEU 135 Ca 0.28 -0.31 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 1peq h LEU 135 Cb 0.16 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.67 1peq h LEU 135 CO -0.03 1.00 -0.09 0.74 0.09 0.00 0.00 178.44 180.15 1peq h THR 136 N 0.78 0.86 -0.09 0.22 2.02 -0.01 -2.72 112.91 113.97 1peq h THR 136 Ca 0.14 -0.16 -0.15 0.00 0.77 0.00 0.00 66.41 67.02 1peq h THR 136 Cb 0.54 0.96 -0.01 0.00 -1.74 0.00 0.00 68.15 67.90 1peq h THR 136 CO 0.03 0.04 -0.59 -0.07 0.37 0.00 0.00 175.52 175.30 1peq h LEU 137 N -0.32 0.34 -1.47 2.58 3.38 -1.06 -3.09 115.31 115.66 1peq h LEU 137 Ca -0.02 -0.19 -0.04 0.00 0.09 0.00 0.00 57.88 57.71 1peq h LEU 137 Cb 0.25 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 1peq h LEU 137 CO 0.04 0.85 -0.21 0.00 0.09 0.00 0.00 178.44 179.21 1peq h ALA 138 N 1.16 1.16 -6.07 1.53 0.00 -0.91 -3.46 119.26 112.67 1peq h ALA 138 Ca -0.00 -0.19 -0.42 0.00 0.00 0.00 0.00 54.91 54.29 1peq h ALA 138 Cb 1.09 -0.03 0.05 0.00 0.00 0.00 0.00 17.79 18.90 1peq h ALA 138 CO 0.09 0.26 -0.78 1.04 0.00 0.00 0.00 179.25 179.86 1peq n GLN 139 N -3.57 -5.70 0.00 0.00 6.02 -1.04 -1.69 117.38 111.40 1peq n GLN 139 Ca -0.01 0.67 0.00 0.00 -0.01 0.00 0.00 57.00 57.65 1peq n GLN 139 Cb 0.35 -5.45 0.00 0.00 1.02 0.00 0.00 30.24 26.16 1peq n GLN 139 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1peq n GLY 140 N -1.61 2.51 3.53 1.08 0.00 -1.26 -4.98 105.19 104.45 1peq n GLY 140 Ca -0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.45 1peq n GLY 140 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1peq s ASP 141 N -1.59 6.20 0.16 1.61 3.68 -0.68 -4.87 116.67 121.18 1peq s ASP 141 Ca 0.00 -0.70 -0.15 0.00 2.13 0.00 0.00 52.55 53.82 1peq s ASP 141 Cb 0.00 -2.52 0.08 0.00 -1.45 0.00 0.00 42.92 39.03 1peq s ASP 141 CO 0.00 -1.70 1.75 -0.33 0.13 0.00 0.00 175.17 175.02 1peq h GLU 142 N 9.87 0.28 -0.73 4.34 5.08 -1.94 0.49 114.58 131.97 1peq h GLU 142 Ca -0.23 -0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 58.05 1peq h GLU 142 Cb 1.05 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 30.21 1peq h GLU 142 CO 1.27 0.18 0.21 0.00 -1.00 0.00 0.00 179.01 179.67 1peq h THR 143 N 0.29 1.26 -0.15 1.13 1.03 -1.99 -2.17 112.91 112.31 1peq h THR 143 Ca 0.18 -0.93 -0.09 0.00 -0.01 0.00 0.00 66.41 65.55 1peq h THR 143 Cb 0.17 0.47 -0.01 0.00 -1.07 0.00 0.00 68.15 67.71 1peq h THR 143 CO -0.19 0.36 -0.32 0.25 -0.01 0.00 0.00 175.52 175.61 1peq h LEU 144 N 1.10 0.31 -1.04 0.00 5.85 -1.84 -2.34 115.31 117.34 1peq h LEU 144 Ca 0.23 -0.11 -0.10 0.00 0.84 0.00 0.00 57.88 58.74 1peq h LEU 144 Cb 0.33 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 1peq h LEU 144 CO -0.00 0.62 -0.47 0.00 -0.34 0.00 0.00 178.44 178.25 1peq h ALA 145 N 1.40 1.21 -0.03 1.25 0.00 -0.34 -1.90 119.26 120.86 1peq h ALA 145 Ca 0.03 -0.43 -0.03 0.00 0.00 0.00 0.00 54.91 54.48 1peq h ALA 145 Cb 0.70 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1peq h ALA 145 CO 0.05 0.59 -0.10 1.15 0.00 0.00 0.00 179.25 180.94 1peq h THR 146 N 0.02 1.48 0.10 0.00 2.02 -1.11 -2.21 112.91 113.21 1peq h THR 146 Ca -0.00 -1.57 0.02 0.00 0.77 0.00 0.00 66.41 65.63 1peq h THR 146 Cb 0.84 2.45 -0.04 0.00 -1.74 0.00 0.00 68.15 69.66 1peq h THR 146 CO 0.06 0.42 -0.26 1.56 0.37 0.00 0.00 175.52 177.67 1peq h GLN 147 N -0.47 -0.44 -0.92 6.66 1.08 -1.36 0.21 115.11 119.87 1peq h GLN 147 Ca -0.01 0.03 0.18 0.00 -1.45 0.00 0.00 58.65 57.41 1peq h GLN 147 Cb 0.74 0.10 -0.11 0.00 -0.05 0.00 0.00 27.48 28.17 1peq h GLN 147 CO 0.02 -0.30 0.49 -0.07 -0.95 0.00 0.00 178.83 178.03 1peq h LEU 148 N -0.46 0.58 -0.84 1.46 3.38 -1.40 1.04 115.31 119.07 1peq h LEU 148 Ca 0.04 0.11 -0.04 0.00 0.09 0.00 0.00 57.88 58.08 1peq h LEU 148 Cb 0.50 0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.23 1peq h LEU 148 CO -0.17 0.19 0.39 0.74 0.09 0.00 0.00 178.44 179.68 1peq h THR 149 N 0.62 1.26 -0.25 0.22 2.02 -0.42 -1.10 112.91 115.26 1peq h THR 149 Ca 0.53 -0.76 -0.18 0.00 0.77 0.00 0.00 66.41 66.77 1peq h THR 149 Cb 0.84 0.21 0.00 0.00 -1.74 0.00 0.00 68.15 67.46 1peq h THR 149 CO -0.41 0.32 -0.54 0.44 0.37 0.00 0.00 175.52 175.71 1peq h ASP 150 N 1.20 0.91 -0.80 4.18 3.45 0.38 -1.34 116.42 124.41 1peq h ASP 150 Ca 0.29 -0.55 -0.04 0.00 0.43 0.00 0.00 57.03 57.16 1peq h ASP 150 Cb 0.15 -0.26 -0.04 0.00 -0.56 0.00 0.00 39.33 38.62 1peq h ASP 150 CO -0.03 1.29 0.35 -0.33 -1.57 0.00 0.00 179.24 178.95 1peq h GLU 151 N 0.57 1.18 -0.15 3.56 4.39 0.44 -1.04 114.58 123.52 1peq h GLU 151 Ca 0.01 -0.19 -0.15 0.00 0.34 0.00 0.00 59.36 59.37 1peq h GLU 151 Cb 1.15 -0.20 0.00 0.00 -0.10 0.00 0.00 28.75 29.60 1peq h GLU 151 CO 0.12 0.93 -0.48 0.52 -1.16 0.00 0.00 179.01 178.93 1peq h MET 152 N 1.16 0.60 0.00 2.33 2.86 -1.10 -1.79 114.93 118.98 1peq h MET 152 Ca 0.27 -0.44 -0.09 0.00 -2.06 0.00 0.00 59.70 57.39 1peq h MET 152 Cb 0.17 0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.89 1peq h MET 152 CO -0.03 1.06 -0.41 -0.07 1.06 0.00 0.00 176.91 178.52 1peq h LEU 153 N 0.25 0.00 0.00 1.22 3.38 -0.96 -2.32 115.31 116.87 1peq h LEU 153 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1peq h LEU 153 Cb 1.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.86 1peq h LEU 153 CO 0.10 0.41 -0.00 0.77 0.09 0.00 0.00 178.44 179.80 1peq h SER 154 N 0.00 0.00 0.00 -0.43 4.64 -1.19 -3.46 113.55 113.11 1peq h SER 154 Ca -0.00 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1peq h SER 154 Cb 0.78 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.87 1peq h SER 154 CO 0.05 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.62 1peq n GLY 155 N 1.18 0.46 0.21 -0.77 0.00 -0.87 -4.96 105.19 100.43 1peq n GLY 155 Ca 0.05 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.04 1peq n GLY 155 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1peq h ARG 156 N 4.62 0.32 -5.44 1.61 3.08 -1.57 -3.36 114.38 113.64 1peq h ARG 156 Ca 0.00 -0.14 -0.47 0.00 0.07 0.00 0.00 59.98 59.43 1peq h ARG 156 Cb 0.00 -0.01 -0.26 0.00 0.08 0.00 0.00 29.97 29.79 1peq h ARG 156 CO 0.00 0.65 -0.80 0.12 -1.07 0.00 0.00 179.97 178.87 1peq s PHE 157 N -4.24 1.33 -0.27 3.04 5.36 -0.96 -2.23 117.98 120.01 1peq s PHE 157 Ca -0.05 -0.34 -0.02 0.00 -0.96 0.00 0.00 56.93 55.56 1peq s PHE 157 Cb 0.13 -0.80 0.12 0.00 -0.34 0.00 0.00 43.02 42.13 1peq s PHE 157 CO 0.78 0.03 0.24 -1.14 -1.46 0.00 0.00 175.22 173.67 1peq s GLN 158 N -1.00 0.26 0.72 10.12 2.00 -0.08 -4.27 119.66 127.41 1peq s GLN 158 Ca 0.03 -0.15 -0.13 0.00 -2.00 0.00 0.00 55.36 53.11 1peq s GLN 158 Cb -0.08 -0.93 0.03 0.00 0.80 0.00 0.00 33.01 32.84 1peq s GLN 158 CO 0.01 -0.93 1.13 -2.14 -0.50 0.00 0.00 175.29 172.85 1peq s PRO 159 N 2.29 2.39 0.68 1.67 0.02 -1.26 -1.44 135.00 139.35 1peq s PRO 159 Ca 0.09 1.41 -0.17 0.00 0.02 0.00 0.00 61.00 62.35 1peq s PRO 159 Cb -0.15 -1.90 -0.05 0.00 0.02 0.00 0.00 34.50 32.43 1peq s PRO 159 CO -0.29 -1.58 0.57 0.00 -0.33 0.00 0.00 177.00 175.38 1peq n ALA 160 N -2.91 -1.28 -0.05 -1.55 0.00 -0.84 -4.55 120.51 109.33 1peq n ALA 160 Ca 0.11 -0.18 -0.08 0.00 0.00 0.00 0.00 53.44 53.29 1peq n ALA 160 Cb 0.52 -1.87 -0.01 0.00 0.00 0.00 0.00 19.45 18.08 1peq n ALA 160 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1peq h THR 161 N -0.18 0.49 -0.82 0.00 2.02 -1.92 -1.22 112.91 111.28 1peq h THR 161 Ca -0.46 0.00 0.06 0.00 0.77 0.00 0.00 66.41 66.79 1peq h THR 161 Cb 1.36 0.49 -0.05 0.00 -1.74 0.00 0.00 68.15 68.21 1peq h THR 161 CO 0.44 0.00 0.54 1.55 0.37 0.00 0.00 175.52 178.42 1peq h PRO 162 N -0.18 0.88 0.06 6.66 0.13 -1.88 -1.91 132.00 135.75 1peq h PRO 162 Ca 0.14 -0.05 -0.00 0.00 -0.87 0.00 0.00 66.00 65.21 1peq h PRO 162 Cb 0.39 -0.20 0.00 0.00 0.13 0.00 0.00 31.00 31.32 1peq h PRO 162 CO -0.35 0.58 -0.03 1.15 -0.23 0.00 0.00 178.00 179.12 1peq h THR 163 N 0.90 1.24 -0.27 1.56 2.02 -1.34 -3.06 112.91 113.97 1peq h THR 163 Ca 0.35 -1.13 0.08 0.00 0.77 0.00 0.00 66.41 66.48 1peq h THR 163 Cb 0.22 1.97 -0.01 0.00 -1.74 0.00 0.00 68.15 68.59 1peq h THR 163 CO -0.13 0.28 0.30 0.15 0.37 0.00 0.00 175.52 176.50 1peq h PHE 164 N -0.60 0.00 0.02 3.16 3.57 -0.94 -2.45 116.94 119.71 1peq h PHE 164 Ca -0.01 0.00 -0.34 0.00 3.53 0.00 0.00 57.97 61.16 1peq h PHE 164 Cb 0.52 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.20 1peq h PHE 164 CO 0.09 0.00 -2.02 -0.11 -2.23 0.00 0.00 178.31 174.04 1peq n LEU 165 N -3.73 1.21 -0.04 0.59 7.94 -0.75 -4.55 117.00 117.68 1peq n LEU 165 Ca 0.04 0.21 0.02 0.00 -1.11 0.00 0.00 56.01 55.16 1peq n LEU 165 Cb 0.45 -0.11 -0.15 0.00 0.53 0.00 0.00 43.42 44.14 1peq n LEU 165 CO 0.27 0.57 -0.89 0.59 -1.11 0.00 0.00 177.39 176.82 1peq n ASN 166 N -3.08 0.55 -4.58 1.96 3.02 -1.05 -4.88 115.26 107.21 1peq n ASN 166 Ca -0.27 0.00 -0.52 0.00 -0.03 0.00 0.00 54.58 53.76 1peq n ASN 166 Cb 1.07 1.47 -0.06 0.00 -0.61 0.00 0.00 39.78 41.66 1peq n ASN 166 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1peq n GLY 168 N 2.28 2.88 3.83 0.00 0.00 -1.26 -4.58 105.19 108.35 1peq n GLY 168 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 1peq n GLY 168 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1peq s LYS 169 N -0.07 4.16 -0.05 1.61 1.02 -0.09 -1.79 119.74 124.54 1peq s LYS 169 Ca 0.00 1.04 -0.15 0.00 0.02 0.00 0.00 55.97 56.87 1peq s LYS 169 Cb 0.00 -2.20 -0.10 0.00 -0.52 0.00 0.00 37.83 35.01 1peq s LYS 169 CO 0.00 -0.04 0.64 0.37 -0.92 0.00 0.00 175.35 175.39 1peq h GLN 170 N 1.80 -0.40 -5.72 1.68 5.75 -1.29 -3.35 115.11 113.58 1peq h GLN 170 Ca -0.49 0.03 -0.68 0.00 -0.15 0.00 0.00 58.65 57.36 1peq h GLN 170 Cb 1.18 0.09 -0.10 0.00 1.07 0.00 0.00 27.48 29.72 1peq h GLN 170 CO 0.62 -0.17 2.02 -0.65 -2.65 0.00 0.00 178.83 177.99 1peq s GLN 171 N -3.20 3.97 -0.06 1.69 -1.52 -1.26 -4.94 119.66 114.34 1peq s GLN 171 Ca -0.09 -2.01 0.03 0.00 -1.95 0.00 0.00 55.36 51.35 1peq s GLN 171 Cb 0.01 -5.45 -0.02 0.00 -0.22 0.00 0.00 33.01 27.32 1peq s GLN 171 CO 0.28 -2.18 -0.13 -0.98 -0.25 0.00 0.00 175.29 172.02 1peq s ARG 172 N 3.91 2.63 0.00 2.91 1.04 -1.26 -5.09 118.95 123.09 1peq s ARG 172 Ca 0.52 -0.68 0.00 0.00 -1.04 0.00 0.00 55.73 54.52 1peq s ARG 172 Cb 0.03 -2.43 0.00 0.00 -2.04 0.00 0.00 34.95 30.51 1peq s ARG 172 CO 0.05 0.58 0.00 0.41 -0.04 0.00 0.00 175.30 176.30 1peq n GLY 173 N 2.44 -2.03 3.86 3.88 0.00 -1.26 -5.03 105.19 107.04 1peq n GLY 173 Ca -0.17 -1.52 -0.31 0.00 0.00 0.00 0.00 46.02 44.02 1peq n GLY 173 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1peq s GLU 174 N -2.96 3.84 0.00 1.61 2.56 -1.26 -4.94 118.70 117.55 1peq s GLU 174 Ca 0.00 0.71 0.25 0.00 0.00 0.00 0.00 54.97 55.93 1peq s GLU 174 Cb 0.00 -2.25 0.42 0.00 2.00 0.00 0.00 34.13 34.30 1peq s GLU 174 CO 0.00 -0.19 1.35 1.28 -0.56 0.00 0.00 175.26 177.14 1peq n LEU 175 N -1.57 0.74 -4.07 2.70 4.32 -1.26 -4.56 117.00 113.30 1peq n LEU 175 Ca 0.05 -0.16 -0.25 0.00 -0.02 0.00 0.00 56.01 55.63 1peq n LEU 175 Cb 0.54 -0.18 -0.16 0.00 -1.62 0.00 0.00 43.42 42.00 1peq n LEU 175 CO 0.48 0.17 -0.48 -0.69 -1.22 0.00 0.00 177.39 175.65 1peq s VAL 176 N -2.88 1.23 -0.39 4.08 1.01 -1.26 -3.36 120.40 118.83 1peq s VAL 176 Ca 0.13 -0.57 0.08 0.00 0.00 0.00 0.00 61.98 61.62 1peq s VAL 176 Cb 0.18 -1.09 0.24 0.00 0.00 0.00 0.00 36.38 35.71 1peq s VAL 176 CO 0.69 0.37 0.50 -1.54 0.00 0.00 0.00 175.10 175.11 1peq n SER 177 N 3.47 0.06 -3.22 3.32 3.41 -1.26 -4.92 113.62 114.49 1peq n SER 177 Ca -0.20 -2.66 0.03 0.00 -0.26 0.00 0.00 58.87 55.78 1peq n SER 177 Cb 0.53 -0.61 -0.04 0.00 -0.26 0.00 0.00 64.21 63.83 1peq n SER 177 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1peq s PHE 179 N 2.10 0.88 -0.14 0.00 0.40 0.76 -1.11 117.98 120.86 1peq s PHE 179 Ca 0.00 -0.60 -0.00 0.00 -0.60 0.00 0.00 56.93 55.73 1peq s PHE 179 Cb -0.01 -0.50 0.03 0.00 0.51 0.00 0.00 43.02 43.05 1peq s PHE 179 CO -0.16 -0.05 -0.07 -0.51 0.70 0.00 0.00 175.22 175.13 1peq s LEU 180 N -2.05 1.43 0.08 -0.37 1.02 0.19 -1.07 118.68 117.92 1peq s LEU 180 Ca -0.02 -0.50 0.10 0.00 0.02 0.00 0.00 54.13 53.73 1peq s LEU 180 Cb -0.06 -0.90 -0.03 0.00 0.02 0.00 0.00 46.19 45.22 1peq s LEU 180 CO -0.00 -0.15 -0.25 -0.76 0.02 0.00 0.00 176.35 175.21 1peq s LEU 181 N 1.66 2.31 0.23 1.79 1.43 -0.59 -1.68 118.68 123.83 1peq s LEU 181 Ca 0.03 -0.62 0.02 0.00 -1.03 0.00 0.00 54.13 52.52 1peq s LEU 181 Cb -0.14 -1.31 -0.04 0.00 0.03 0.00 0.00 46.19 44.74 1peq s LEU 181 CO -0.08 0.23 0.39 0.00 0.23 0.00 0.00 176.35 177.12 1peq s ARG 182 N -1.62 3.47 -0.07 1.70 1.70 -1.26 -2.27 118.95 120.61 1peq s ARG 182 Ca 0.13 -0.52 0.04 0.00 -0.47 0.00 0.00 55.73 54.90 1peq s ARG 182 Cb -0.10 -2.85 0.00 0.00 -0.57 0.00 0.00 34.95 31.44 1peq s ARG 182 CO 0.04 0.38 -0.17 0.42 -1.08 0.00 0.00 175.30 174.90 1peq s ILE 183 N -1.97 1.50 0.36 4.99 1.01 -1.24 -4.87 121.20 120.98 1peq s ILE 183 Ca 0.37 -0.72 0.05 0.00 0.00 0.00 0.00 60.65 60.35 1peq s ILE 183 Cb -0.10 -1.31 -0.01 0.00 0.01 0.00 0.00 42.46 41.05 1peq s ILE 183 CO 0.30 0.43 0.51 -1.61 0.00 0.00 0.00 174.94 174.58 1peq s GLU 184 N 0.33 3.14 -1.59 2.79 0.41 -1.26 -4.53 118.70 117.99 1peq s GLU 184 Ca -0.11 -0.85 -0.10 0.00 -0.41 0.00 0.00 54.97 53.49 1peq s GLU 184 Cb -0.15 -2.76 -0.09 0.00 -1.78 0.00 0.00 34.13 29.36 1peq s GLU 184 CO 0.04 0.01 2.91 -3.47 -0.49 0.00 0.00 175.26 174.26 1peq n ASP 185 N -1.73 8.47 -3.48 -0.19 4.64 -1.26 -4.51 116.55 118.49 1peq n ASP 185 Ca -0.01 -2.56 -0.14 0.00 -1.38 0.00 0.00 54.79 50.70 1peq n ASP 185 Cb 0.58 -1.54 -0.04 0.00 -1.04 0.00 0.00 41.12 39.08 1peq n ASP 185 CO 0.00 0.00 0.00 0.54 -0.82 0.00 0.00 177.20 176.92 1peq s ASN 186 N 2.26 -0.58 0.45 1.67 2.20 -1.26 -4.94 114.94 114.74 1peq s ASN 186 Ca 0.68 0.35 0.13 0.00 -0.94 0.00 0.00 52.86 53.08 1peq s ASN 186 Cb 0.17 0.54 1.00 0.00 -2.00 0.00 0.00 41.25 40.97 1peq s ASN 186 CO -0.06 -0.74 2.02 -0.03 -2.94 0.00 0.00 177.10 175.35 1peq h MET 187 N 2.48 0.09 0.05 3.55 1.85 -2.00 -1.75 114.93 119.21 1peq h MET 187 Ca -0.29 -0.01 -0.00 0.00 -0.61 0.00 0.00 59.70 58.78 1peq h MET 187 Cb 1.22 -0.02 0.00 0.00 0.43 0.00 0.00 31.60 33.23 1peq h MET 187 CO 0.37 0.20 -0.02 0.93 -0.40 0.00 0.00 176.91 177.99 1peq h GLU 188 N 0.09 -0.06 -0.01 0.39 3.07 -1.95 -0.22 114.58 115.90 1peq h GLU 188 Ca 0.02 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.87 1peq h GLU 188 Cb 0.23 0.01 -0.00 0.00 -0.84 0.00 0.00 28.75 28.15 1peq h GLU 188 CO 0.01 0.08 -0.08 1.03 -1.40 0.00 0.00 179.01 178.65 1peq h SER 189 N -0.19 0.01 -0.14 1.42 0.87 -1.60 -0.74 113.55 113.18 1peq h SER 189 Ca -0.01 -0.00 -0.17 0.00 -1.23 0.00 0.00 61.79 60.38 1peq h SER 189 Cb 0.17 -0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.13 1peq h SER 189 CO 0.01 0.09 -0.57 0.40 -0.53 0.00 0.00 176.83 176.23 1peq h ILE 190 N 0.01 1.33 -0.60 2.23 2.04 -1.03 -1.19 117.51 120.30 1peq h ILE 190 Ca 0.00 -1.84 -0.05 0.00 1.00 0.00 0.00 64.86 63.97 1peq h ILE 190 Cb 0.15 2.06 -0.03 0.00 -0.74 0.00 0.00 36.82 38.26 1peq h ILE 190 CO 0.01 0.57 0.15 1.23 0.00 0.00 0.00 178.15 180.11 1peq h GLY 191 N 0.30 0.99 0.96 5.37 0.00 -0.45 -1.02 103.07 109.22 1peq h GLY 191 Ca -0.03 -0.58 -0.04 0.00 0.00 0.00 0.00 47.33 46.68 1peq h GLY 191 CO 0.12 0.54 0.15 3.21 0.00 0.00 0.00 176.54 180.56 1peq h ARG 192 N 0.88 0.73 -0.18 4.80 2.47 -1.09 -0.59 114.38 121.41 1peq h ARG 192 Ca 0.19 -0.15 0.00 0.00 -1.26 0.00 0.00 59.98 58.76 1peq h ARG 192 Cb 0.31 -0.11 -0.01 0.00 -1.65 0.00 0.00 29.97 28.51 1peq h ARG 192 CO -0.00 0.69 0.12 0.00 0.56 0.00 0.00 179.97 181.33 1peq h ALA 193 N 1.01 0.23 -0.94 0.04 0.00 0.08 0.34 119.26 120.01 1peq h ALA 193 Ca 0.15 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.09 1peq h ALA 193 Cb 0.26 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 17.92 1peq h ALA 193 CO -0.01 -0.28 0.61 0.28 0.00 0.00 0.00 179.25 179.86 1peq h VAL 194 N 0.23 1.11 -0.24 0.00 2.07 -1.26 -0.45 116.25 117.71 1peq h VAL 194 Ca 0.07 -0.39 -0.02 0.00 0.82 0.00 0.00 66.70 67.18 1peq h VAL 194 Cb -0.01 -0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 29.64 1peq h VAL 194 CO -0.01 0.21 0.09 -1.13 0.02 0.00 0.00 177.57 176.74 1peq h ASN 195 N 1.13 0.34 -0.69 0.57 -0.73 0.70 -2.48 115.58 114.42 1peq h ASN 195 Ca 0.39 -0.18 0.06 0.00 1.87 0.00 0.00 56.30 58.45 1peq h ASN 195 Cb 0.12 -0.09 -0.06 0.00 0.27 0.00 0.00 38.32 38.56 1peq h ASN 195 CO -0.14 0.43 0.38 0.28 -0.37 0.00 0.00 177.43 178.01 1peq h SER 196 N 0.24 0.57 -0.45 1.15 0.02 0.38 -0.28 113.55 115.18 1peq h SER 196 Ca 0.08 0.03 0.09 0.00 -0.84 0.00 0.00 61.79 61.15 1peq h SER 196 Cb 0.20 -0.08 -0.08 0.00 0.14 0.00 0.00 62.40 62.57 1peq h SER 196 CO -0.01 0.37 -0.06 0.00 -1.14 0.00 0.00 176.83 175.99 1peq h ALA 197 N 1.36 0.35 0.51 3.77 0.00 -0.87 0.48 119.26 124.86 1peq h ALA 197 Ca 0.31 0.16 -0.02 0.00 0.00 0.00 0.00 54.91 55.36 1peq h ALA 197 Cb 0.20 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1peq h ALA 197 CO -0.19 -0.42 -0.33 -0.07 0.00 0.00 0.00 179.25 178.24 1peq h LEU 198 N 0.05 -0.85 -1.55 0.00 4.07 -0.76 0.83 115.31 117.10 1peq h LEU 198 Ca 0.22 0.05 -0.01 0.00 0.08 0.00 0.00 57.88 58.22 1peq h LEU 198 Cb 0.33 0.26 -0.00 0.00 1.08 0.00 0.00 40.66 42.33 1peq h LEU 198 CO -0.43 -0.52 -0.05 1.56 -1.08 0.00 0.00 178.44 177.93 1peq h GLN 199 N -0.81 0.00 0.01 1.13 1.08 -0.49 -2.26 115.11 113.77 1peq h GLN 199 Ca -0.06 0.00 -0.20 0.00 -1.45 0.00 0.00 58.65 56.94 1peq h GLN 199 Cb 0.67 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 28.07 1peq h GLN 199 CO 0.05 0.05 -1.07 -0.07 -0.95 0.00 0.00 178.83 176.83 1peq h LEU 200 N 0.00 0.05 -0.49 1.46 4.07 -0.79 -3.34 115.31 116.28 1peq h LEU 200 Ca -0.00 -0.64 0.08 0.00 0.08 0.00 0.00 57.88 57.40 1peq h LEU 200 Cb 0.50 -0.02 -0.07 0.00 1.08 0.00 0.00 40.66 42.16 1peq h LEU 200 CO 0.01 1.43 0.09 -1.28 -1.08 0.00 0.00 178.44 177.61 1peq h SER 201 N -0.90 -0.01 -0.47 -0.43 0.87 -0.73 0.78 113.55 112.66 1peq h SER 201 Ca -0.29 0.09 0.11 0.00 -1.23 0.00 0.00 61.79 60.47 1peq h SER 201 Cb 1.32 0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 63.38 1peq h SER 201 CO -0.14 0.03 0.33 0.07 -0.53 0.00 0.00 176.83 176.58 1peq h LYS 202 N 0.23 0.14 -0.86 2.24 2.10 -1.52 0.26 116.57 119.16 1peq h LYS 202 Ca 0.24 -0.01 -0.06 0.00 -2.00 0.00 0.00 60.65 58.83 1peq h LYS 202 Cb 0.33 -0.03 -0.04 0.00 -0.90 0.00 0.00 32.23 31.59 1peq h LYS 202 CO -0.32 0.09 0.08 0.54 -2.00 0.00 0.00 179.45 177.84 1peq n ARG 203 N -4.44 2.48 -0.90 0.07 1.74 0.23 -4.90 116.66 110.95 1peq n ARG 203 Ca 0.08 -1.42 0.00 0.00 -0.77 0.00 0.00 57.85 55.73 1peq n ARG 203 Cb 0.44 -1.77 0.00 0.00 -1.02 0.00 0.00 32.46 30.11 1peq n ARG 203 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1peq n GLY 204 N 0.15 0.36 3.78 -0.13 0.00 0.91 -4.74 105.19 105.52 1peq n GLY 204 Ca 0.16 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 1peq n GLY 204 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1peq s GLY 205 N -2.00 2.53 -0.23 -0.02 0.00 -0.98 -4.07 107.32 102.55 1peq s GLY 205 Ca 0.00 0.74 -0.16 0.00 0.00 0.00 0.00 44.72 45.30 1peq s GLY 205 CO 0.00 1.09 0.40 -0.32 0.00 0.00 0.00 173.10 174.28 1peq s GLY 206 N -1.95 1.98 -0.09 0.20 0.00 -1.24 -3.73 107.32 102.49 1peq s GLY 206 Ca 0.71 -0.64 0.03 0.00 0.00 0.00 0.00 44.72 44.82 1peq s GLY 206 CO 0.28 0.93 -0.19 0.14 0.00 0.00 0.00 173.10 174.26 1peq s VAL 207 N 1.70 1.66 -0.02 1.40 1.01 -0.67 -0.17 120.40 125.32 1peq s VAL 207 Ca 0.18 -0.78 0.02 0.00 0.00 0.00 0.00 61.98 61.39 1peq s VAL 207 Cb -0.15 -1.47 -0.03 0.00 0.00 0.00 0.00 36.38 34.73 1peq s VAL 207 CO 0.09 0.47 -0.05 0.00 0.00 0.00 0.00 175.10 175.61 1peq s ALA 208 N 0.52 3.07 -0.03 5.51 0.00 -0.23 -1.65 121.76 128.95 1peq s ALA 208 Ca -0.16 -0.96 0.06 0.00 0.00 0.00 0.00 51.96 50.89 1peq s ALA 208 Cb -0.17 -1.21 -0.01 0.00 0.00 0.00 0.00 23.12 21.73 1peq s ALA 208 CO 0.06 0.61 -0.21 -0.06 0.00 0.00 0.00 175.76 176.16 1peq s PHE 209 N -0.96 1.95 0.01 0.00 0.40 0.43 -1.54 117.98 118.28 1peq s PHE 209 Ca 0.16 -0.45 -0.25 0.00 -0.60 0.00 0.00 56.93 55.79 1peq s PHE 209 Cb -0.11 -1.27 -0.05 0.00 0.51 0.00 0.00 43.02 42.10 1peq s PHE 209 CO 0.06 -0.09 0.78 -1.17 0.70 0.00 0.00 175.22 175.50 1peq s LEU 210 N -0.33 4.40 0.00 -0.37 2.96 -0.96 -0.78 118.68 123.60 1peq s LEU 210 Ca 0.04 1.42 0.07 0.00 -0.22 0.00 0.00 54.13 55.43 1peq s LEU 210 Cb -0.10 -3.25 -0.04 0.00 0.50 0.00 0.00 46.19 43.30 1peq s LEU 210 CO 0.01 -0.06 0.39 0.18 -1.32 0.00 0.00 176.35 175.54 1peq n LEU 211 N 3.23 0.63 0.16 -0.68 4.77 -0.48 -3.61 117.00 121.01 1peq n LEU 211 Ca -0.01 -0.62 0.11 0.00 -0.03 0.00 0.00 56.01 55.46 1peq n LEU 211 Cb 0.51 0.00 0.58 0.00 -2.33 0.00 0.00 43.42 42.17 1peq n LEU 211 CO 0.48 0.14 0.83 -1.20 -1.33 0.00 0.00 177.39 176.30 1peq n SER 212 N -0.76 0.56 0.04 -1.43 7.64 -1.25 -1.40 113.62 117.01 1peq n SER 212 Ca 0.02 0.75 0.11 0.00 1.01 0.00 0.00 58.87 60.77 1peq n SER 212 Cb 0.12 -0.83 0.08 0.00 -1.01 0.00 0.00 64.21 62.57 1peq n SER 212 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1peq n ASN 213 N -2.25 0.63 -4.77 6.43 3.02 -1.26 -4.13 115.26 112.94 1peq n ASN 213 Ca -0.01 -0.12 -0.40 0.00 -0.03 0.00 0.00 54.58 54.02 1peq n ASN 213 Cb 0.04 0.58 -0.02 0.00 -0.61 0.00 0.00 39.78 39.78 1peq n ASN 213 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1peq s LEU 214 N -3.96 4.35 0.29 3.41 1.43 -0.49 -4.32 118.68 119.39 1peq s LEU 214 Ca 0.05 2.63 -0.29 0.00 -1.03 0.00 0.00 54.13 55.49 1peq s LEU 214 Cb 0.14 -3.75 -0.09 0.00 0.03 0.00 0.00 46.19 42.52 1peq s LEU 214 CO 0.77 -0.61 1.10 0.00 0.23 0.00 0.00 176.35 177.84 1peq s ARG 215 N -1.94 4.58 0.91 1.70 1.70 -1.26 -4.73 118.95 119.91 1peq s ARG 215 Ca 0.52 1.78 -0.11 0.00 -0.47 0.00 0.00 55.73 57.45 1peq s ARG 215 Cb -0.38 -3.11 0.14 0.00 -0.57 0.00 0.00 34.95 31.03 1peq s ARG 215 CO 0.50 0.17 1.11 -1.83 -1.08 0.00 0.00 175.30 174.17 1peq s GLU 216 N -1.57 1.10 -0.10 3.89 1.03 -1.26 -4.01 118.70 117.79 1peq s GLU 216 Ca 0.46 1.28 -0.29 0.00 0.03 0.00 0.00 54.97 56.45 1peq s GLU 216 Cb -0.31 -1.76 -0.07 0.00 -0.80 0.00 0.00 34.13 31.20 1peq s GLU 216 CO 0.40 -2.48 2.02 0.00 -1.33 0.00 0.00 175.26 173.86 1peq s ALA 217 N -2.72 3.21 0.00 -0.84 0.00 -1.26 -1.71 121.76 118.44 1peq s ALA 217 Ca 0.65 1.00 0.00 0.00 0.00 0.00 0.00 51.96 53.61 1peq s ALA 217 Cb -0.21 -3.94 0.00 0.00 0.00 0.00 0.00 23.12 18.97 1peq s ALA 217 CO 0.58 -2.10 0.00 0.41 0.00 0.00 0.00 175.76 174.65 1peq n GLY 218 N 5.03 0.95 3.77 0.00 0.00 -0.82 -4.91 105.19 109.21 1peq n GLY 218 Ca 0.24 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.95 1peq n GLY 218 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1peq s ALA 219 N -2.00 2.18 0.82 4.61 0.00 -0.69 -3.01 121.76 123.67 1peq s ALA 219 Ca 0.00 0.19 -0.11 0.00 0.00 0.00 0.00 51.96 52.04 1peq s ALA 219 Cb 0.00 -3.25 0.09 0.00 0.00 0.00 0.00 23.12 19.96 1peq s ALA 219 CO 0.00 -1.81 1.09 -2.14 0.00 0.00 0.00 175.76 172.90 1peq s PRO 220 N -4.93 1.86 -0.10 0.00 0.02 -1.26 -1.05 135.00 129.54 1peq s PRO 220 Ca 0.61 0.83 -0.04 0.00 0.02 0.00 0.00 61.00 62.42 1peq s PRO 220 Cb -0.17 -1.88 0.05 0.00 0.02 0.00 0.00 34.50 32.52 1peq s PRO 220 CO 0.56 -1.82 0.19 0.42 -0.33 0.00 0.00 177.00 176.02 1peq s ILE 221 N -3.01 -0.26 -1.45 2.83 1.01 -1.08 -4.67 121.20 114.56 1peq s ILE 221 Ca 0.62 0.30 -0.12 0.00 0.00 0.00 0.00 60.65 61.45 1peq s ILE 221 Cb -0.16 -0.33 0.05 0.00 0.01 0.00 0.00 42.46 42.02 1peq s ILE 221 CO 0.56 0.12 1.09 0.29 0.00 0.00 0.00 174.94 177.00 1peq n LYS 222 N 5.10 -6.76 0.00 2.79 5.02 -1.26 -2.31 118.16 120.74 1peq n LYS 222 Ca -0.10 0.71 0.00 0.00 -2.02 0.00 0.00 58.31 56.91 1peq n LYS 222 Cb 0.50 -5.69 0.00 0.00 -0.02 0.00 0.00 35.03 29.82 1peq n LYS 222 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1peq n ARG 223 N -4.86 0.00 -2.48 1.97 5.12 -1.26 -4.96 116.66 110.19 1peq n ARG 223 Ca 0.03 0.00 -0.41 0.00 -1.93 0.00 0.00 57.85 55.54 1peq n ARG 223 Cb 0.54 -1.90 -0.04 0.00 -1.16 0.00 0.00 32.46 29.90 1peq n ARG 223 CO 0.00 0.00 0.00 0.96 -1.93 0.00 0.00 177.63 176.66 1peq s ILE 224 N -0.62 3.90 0.93 0.55 -4.36 -0.98 -4.99 121.20 115.64 1peq s ILE 224 Ca 0.00 1.55 -0.11 0.00 -0.26 0.00 0.00 60.65 61.83 1peq s ILE 224 Cb 0.00 -3.99 0.15 0.00 1.25 0.00 0.00 42.46 39.87 1peq s ILE 224 CO 0.00 0.22 1.10 -1.61 0.24 0.00 0.00 174.94 174.89 1peq s GLU 225 N 0.04 0.94 -0.40 0.37 0.41 -1.26 -2.64 118.70 116.16 1peq s GLU 225 Ca 0.52 1.10 -0.25 0.00 -0.41 0.00 0.00 54.97 55.92 1peq s GLU 225 Cb -0.29 -1.75 0.04 0.00 -1.78 0.00 0.00 34.13 30.34 1peq s GLU 225 CO 0.34 -2.54 0.51 -1.71 -0.49 0.00 0.00 175.26 171.36 1peq n ASN 226 N -4.12 -4.12 0.00 -0.19 5.15 -1.16 -4.89 115.26 105.93 1peq n ASN 226 Ca 0.08 -0.25 0.00 0.00 -0.60 0.00 0.00 54.58 53.81 1peq n ASN 226 Cb 0.54 -1.23 0.00 0.00 -0.53 0.00 0.00 39.78 38.56 1peq n ASN 226 CO 0.00 0.00 0.00 1.67 1.40 0.00 0.00 177.26 180.33 1peq n GLN 227 N -0.51 0.00 -1.37 1.20 -0.06 -0.71 -4.95 117.38 110.99 1peq n GLN 227 Ca -0.10 0.00 -0.34 0.00 -2.00 0.00 0.00 57.00 54.56 1peq n GLN 227 Cb 0.53 -0.58 0.10 0.00 -4.06 0.00 0.00 30.24 26.23 1peq n GLN 227 CO 0.00 0.00 0.00 0.45 -0.20 0.00 0.00 177.06 177.31 1peq s SER 228 N -3.28 4.14 0.00 1.69 0.15 -0.22 -4.84 113.70 111.35 1peq s SER 228 Ca 0.00 2.28 0.18 0.00 0.70 0.00 0.00 55.95 59.11 1peq s SER 228 Cb 0.00 -2.58 -0.01 0.00 -1.71 0.00 0.00 66.02 61.72 1peq s SER 228 CO 0.00 -2.29 0.91 -1.20 1.20 0.00 0.00 173.24 171.85 1peq n SER 229 N -2.91 1.70 -0.03 5.45 7.64 -1.26 -1.94 113.62 122.27 1peq n SER 229 Ca 0.13 -1.35 0.00 0.00 1.01 0.00 0.00 58.87 58.66 1peq n SER 229 Cb 0.51 0.49 0.00 0.00 -1.01 0.00 0.00 64.21 64.20 1peq n SER 229 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1peq n GLY 230 N 1.22 -1.91 0.21 0.23 0.00 -1.26 -4.49 105.19 99.19 1peq n GLY 230 Ca 0.07 -1.38 -0.16 0.00 0.00 0.00 0.00 46.02 44.55 1peq n GLY 230 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1peq h VAL 231 N 0.00 1.31 -0.64 1.61 -1.51 -1.92 -3.37 116.25 111.72 1peq h VAL 231 Ca 0.00 -2.07 0.14 0.00 -1.23 0.00 0.00 66.70 63.54 1peq h VAL 231 Cb 0.00 2.08 -0.11 0.00 -2.13 0.00 0.00 31.29 31.12 1peq h VAL 231 CO 0.00 0.64 -0.06 0.40 -1.23 0.00 0.00 177.57 177.33 1peq h ILE 232 N 0.45 0.42 0.00 7.19 2.04 -1.97 0.52 117.51 126.16 1peq h ILE 232 Ca -0.06 -0.02 -0.02 0.00 1.00 0.00 0.00 64.86 65.76 1peq h ILE 232 Cb 1.42 0.35 -0.00 0.00 -0.74 0.00 0.00 36.82 37.84 1peq h ILE 232 CO 0.16 0.01 -0.11 -0.65 0.00 0.00 0.00 178.15 177.55 1peq h PRO 233 N 0.07 0.00 0.11 2.37 0.11 -1.80 0.14 132.00 132.99 1peq h PRO 233 Ca 0.33 0.00 -0.30 0.00 0.11 0.00 0.00 66.00 66.14 1peq h PRO 233 Cb 0.54 0.00 0.03 0.00 0.11 0.00 0.00 31.00 31.67 1peq h PRO 233 CO -0.60 0.11 -1.23 0.28 -0.21 0.00 0.00 178.00 176.36 1peq h VAL 234 N 0.00 1.28 -0.71 3.15 2.07 -0.25 -2.74 116.25 119.06 1peq h VAL 234 Ca -0.00 -2.43 0.09 0.00 0.82 0.00 0.00 66.70 65.18 1peq h VAL 234 Cb 0.35 2.66 -0.07 0.00 -1.52 0.00 0.00 31.29 32.71 1peq h VAL 234 CO 0.01 0.74 0.35 0.24 0.02 0.00 0.00 177.57 178.94 1peq h MET 235 N 0.29 0.58 -0.97 1.57 2.86 -0.51 -0.20 114.93 118.55 1peq h MET 235 Ca -0.18 -0.03 0.03 0.00 -2.06 0.00 0.00 59.70 57.45 1peq h MET 235 Cb 1.90 -0.13 -0.05 0.00 0.06 0.00 0.00 31.60 33.37 1peq h MET 235 CO 0.24 0.38 0.63 -0.22 1.06 0.00 0.00 176.91 179.00 1peq h LYS 236 N 0.60 1.20 -0.11 1.72 1.63 -0.57 0.31 116.57 121.35 1peq h LYS 236 Ca 0.35 -0.07 -0.03 0.00 -0.85 0.00 0.00 60.65 60.05 1peq h LYS 236 Cb 0.37 -0.27 -0.00 0.00 -0.60 0.00 0.00 32.23 31.72 1peq h LYS 236 CO -0.27 0.80 -0.03 0.52 -3.45 0.00 0.00 179.45 177.01 1peq h MET 237 N 1.24 0.22 -0.75 1.90 2.86 -0.94 -2.20 114.93 117.26 1peq h MET 237 Ca 0.38 -0.09 -0.01 0.00 -2.06 0.00 0.00 59.70 57.92 1peq h MET 237 Cb -0.03 -0.01 -0.04 0.00 0.06 0.00 0.00 31.60 31.58 1peq h MET 237 CO -0.11 0.54 0.42 -0.07 1.06 0.00 0.00 176.91 178.74 1peq h LEU 238 N -0.11 0.91 -0.44 1.22 3.38 -0.61 -1.50 115.31 118.16 1peq h LEU 238 Ca 0.03 -0.07 0.02 0.00 0.09 0.00 0.00 57.88 57.94 1peq h LEU 238 Cb 0.46 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 1peq h LEU 238 CO 0.01 0.73 0.27 -0.08 0.09 0.00 0.00 178.44 179.46 1peq h GLU 239 N 1.04 0.53 0.00 1.13 4.57 -0.22 -2.03 114.58 119.60 1peq h GLU 239 Ca 0.26 -0.03 -0.06 0.00 -1.18 0.00 0.00 59.36 58.35 1peq h GLU 239 Cb 0.01 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 28.47 1peq h GLU 239 CO -0.04 0.35 -0.28 -0.44 -1.18 0.00 0.00 179.01 177.42 1peq h ASP 240 N 0.55 0.00 0.28 1.04 3.45 -0.69 -2.14 116.42 118.91 1peq h ASP 240 Ca 0.17 0.00 -0.20 0.00 0.43 0.00 0.00 57.03 57.43 1peq h ASP 240 Cb -0.01 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 38.76 1peq h ASP 240 CO -0.07 0.28 -0.82 0.00 -1.57 0.00 0.00 179.24 177.06 1peq h ALA 241 N 1.72 0.49 -0.10 3.45 0.00 -0.70 -2.44 119.26 121.68 1peq h ALA 241 Ca -0.00 -0.65 -0.16 0.00 0.00 0.00 0.00 54.91 54.10 1peq h ALA 241 Cb 0.67 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1peq h ALA 241 CO 0.04 0.78 -0.61 0.74 0.00 0.00 0.00 179.25 180.21 1peq h PHE 242 N 0.27 0.46 -0.37 0.00 0.04 -1.01 -2.31 116.94 114.01 1peq h PHE 242 Ca -0.05 -0.17 -0.11 0.00 2.80 0.00 0.00 57.97 60.43 1peq h PHE 242 Cb 1.42 -0.08 -0.01 0.00 2.20 0.00 0.00 35.95 39.48 1peq h PHE 242 CO 0.05 0.87 -0.24 0.77 -0.60 0.00 0.00 178.31 179.17 1peq h SER 243 N 0.26 0.74 -0.00 2.17 0.02 -1.23 -3.25 113.55 112.27 1peq h SER 243 Ca -0.01 -0.27 -0.00 0.00 -0.84 0.00 0.00 61.79 60.67 1peq h SER 243 Cb 1.13 -0.20 -0.00 0.00 0.14 0.00 0.00 62.40 63.47 1peq h SER 243 CO 0.10 0.96 -0.00 0.22 -1.14 0.00 0.00 176.83 176.97 1peq h TYR 244 N 0.64 0.01 -0.94 3.45 -0.00 -1.28 -3.37 116.97 115.47 1peq h TYR 244 Ca 0.09 -0.00 -0.71 0.00 -0.00 0.00 0.00 58.73 58.11 1peq h TYR 244 Cb 0.74 -0.00 -0.10 0.00 -0.00 0.00 0.00 36.73 37.37 1peq h TYR 244 CO 0.04 0.32 2.28 0.00 -0.00 0.00 0.00 178.16 180.80 1peq n ALA 245 N -2.26 4.42 -3.52 1.82 0.00 -0.88 -5.07 120.51 115.02 1peq n ALA 245 Ca -0.08 -4.00 -0.08 0.00 0.00 0.00 0.00 53.44 49.28 1peq n ALA 245 Cb 0.17 -3.40 -0.03 0.00 0.00 0.00 0.00 19.45 16.19 1peq n ALA 245 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1peq s ASN 246 N 3.20 -0.12 0.00 0.00 0.01 -1.26 -3.90 114.94 112.87 1peq s ASN 246 Ca 0.48 -0.82 0.00 0.00 -0.71 0.00 0.00 52.86 51.81 1peq s ASN 246 Cb 0.06 0.67 0.00 0.00 0.41 0.00 0.00 41.25 42.40 1peq s ASN 246 CO 0.01 -1.28 0.00 1.67 -1.51 0.00 0.00 177.10 175.99 1peq n GLN 252 N -0.44 0.00 -3.03 -0.60 7.27 -1.26 -5.73 117.38 113.60 1peq n GLN 252 Ca -0.03 0.36 -0.14 0.00 0.07 0.00 0.00 57.00 57.26 1peq n GLN 252 Cb 0.60 -0.73 0.01 0.00 2.41 0.00 0.00 30.24 32.54 1peq n GLN 252 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1peq n GLY 253 N 0.08 -1.35 3.41 1.69 0.00 -1.26 -5.05 105.19 102.72 1peq n GLY 253 Ca 0.00 0.99 -0.28 0.00 0.00 0.00 0.00 46.02 46.72 1peq n GLY 253 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1peq s ALA 254 N -2.00 2.45 0.19 4.61 0.00 -1.24 -4.85 121.76 120.92 1peq s ALA 254 Ca 0.22 -1.50 0.08 0.00 0.00 0.00 0.00 51.96 50.75 1peq s ALA 254 Cb -0.04 -0.40 -0.04 0.00 0.00 0.00 0.00 23.12 22.63 1peq s ALA 254 CO 0.73 0.52 -0.15 0.20 0.00 0.00 0.00 175.76 177.06 1peq s GLY 255 N -2.23 1.38 0.06 0.00 0.00 -1.26 -1.67 107.32 103.60 1peq s GLY 255 Ca 0.16 -1.59 -0.08 0.00 0.00 0.00 0.00 44.72 43.21 1peq s GLY 255 CO 0.07 -1.68 0.16 0.00 0.00 0.00 0.00 173.10 171.65 1peq s ALA 256 N -2.73 -0.19 0.00 3.20 0.00 -0.66 -1.14 121.76 120.23 1peq s ALA 256 Ca 0.20 -0.52 0.02 0.00 0.00 0.00 0.00 51.96 51.66 1peq s ALA 256 Cb -0.02 0.34 -0.01 0.00 0.00 0.00 0.00 23.12 23.44 1peq s ALA 256 CO 0.06 -0.40 -0.05 0.14 0.00 0.00 0.00 175.76 175.51 1peq s VAL 257 N -3.10 0.39 -0.04 0.00 -7.23 -0.42 -0.43 120.40 109.58 1peq s VAL 257 Ca -0.01 -0.30 0.03 0.00 -1.81 0.00 0.00 61.98 59.89 1peq s VAL 257 Cb 0.02 -0.35 -0.03 0.00 0.56 0.00 0.00 36.38 36.57 1peq s VAL 257 CO -0.07 0.05 -0.10 -0.31 -0.31 0.00 0.00 175.10 174.36 1peq s TYR 258 N -0.25 2.82 -0.01 2.82 1.51 0.04 -0.93 117.35 123.34 1peq s TYR 258 Ca 0.01 -0.07 0.01 0.00 -1.01 0.00 0.00 57.07 56.01 1peq s TYR 258 Cb -0.03 -1.65 0.01 0.00 -0.11 0.00 0.00 41.96 40.18 1peq s TYR 258 CO -0.00 0.29 -0.03 -1.17 -1.11 0.00 0.00 175.55 173.52 1peq s LEU 259 N -0.93 1.78 0.26 -1.29 2.96 -0.02 -1.38 118.68 120.05 1peq s LEU 259 Ca 0.13 -0.06 -0.30 0.00 -0.22 0.00 0.00 54.13 53.68 1peq s LEU 259 Cb -0.11 -0.22 -0.10 0.00 0.50 0.00 0.00 46.19 46.27 1peq s LEU 259 CO 0.02 0.01 1.38 -2.28 -1.32 0.00 0.00 176.35 174.16 1peq s HIS 260 N 0.22 3.08 0.55 5.38 5.65 -1.26 -1.78 115.29 127.13 1peq s HIS 260 Ca -0.02 1.16 0.23 0.00 0.25 0.00 0.00 55.06 56.68 1peq s HIS 260 Cb -0.05 -3.74 1.53 0.00 -1.18 0.00 0.00 32.58 29.14 1peq s HIS 260 CO -0.00 -2.30 2.18 0.00 -0.65 0.00 0.00 174.74 173.97 1peq h ALA 261 N 4.72 1.82 -0.52 1.58 0.00 -1.13 -1.83 119.26 123.90 1peq h ALA 261 Ca -0.46 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.34 1peq h ALA 261 Cb 1.22 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.95 1peq h ALA 261 CO 0.75 -0.05 0.13 0.72 0.00 0.00 0.00 179.25 180.80 1peq n HIS 262 N -4.20 1.77 -3.40 0.00 8.25 -1.26 -4.79 115.22 111.58 1peq n HIS 262 Ca -0.02 -0.80 -0.38 0.00 -0.26 0.00 0.00 57.72 56.26 1peq n HIS 262 Cb 0.12 -0.51 -0.06 0.00 1.12 0.00 0.00 29.99 30.67 1peq n HIS 262 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 1peq s HIS 263 N -2.37 3.75 0.55 4.41 5.04 -0.69 -2.78 115.29 123.21 1peq s HIS 263 Ca 0.41 1.11 0.28 0.00 -1.54 0.00 0.00 55.06 55.32 1peq s HIS 263 Cb 0.33 -2.37 1.46 0.00 0.04 0.00 0.00 32.58 32.03 1peq s HIS 263 CO 0.11 0.60 1.95 -1.35 -2.34 0.00 0.00 174.74 173.71 1peq h PRO 264 N 4.51 0.00 -0.56 2.88 0.11 -1.88 0.14 132.00 137.20 1peq h PRO 264 Ca -0.51 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1peq h PRO 264 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1peq h PRO 264 CO 0.63 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.17 1peq n ASP 265 N -4.10 3.08 -0.27 -2.05 8.00 -1.26 -4.53 116.55 115.41 1peq n ASP 265 Ca 0.11 -2.13 0.09 0.00 0.71 0.00 0.00 54.79 53.56 1peq n ASP 265 Cb 0.69 -0.40 0.23 0.00 -0.02 0.00 0.00 41.12 41.62 1peq n ASP 265 CO 0.00 0.00 0.00 -0.29 -0.39 0.00 0.00 177.20 176.52 1peq h ILE 266 N 2.98 0.48 0.02 0.53 6.09 -1.02 0.18 117.51 126.76 1peq h ILE 266 Ca 0.00 -0.11 -0.21 0.00 -1.37 0.00 0.00 64.86 63.17 1peq h ILE 266 Cb 0.86 0.14 -0.02 0.00 0.47 0.00 0.00 36.82 38.28 1peq h ILE 266 CO 0.07 0.06 -0.98 -0.07 -3.07 0.00 0.00 178.15 174.16 1peq h LEU 267 N 0.31 0.12 -0.95 2.19 3.38 -1.83 -2.07 115.31 116.45 1peq h LEU 267 Ca 0.48 -0.11 -0.06 0.00 0.09 0.00 0.00 57.88 58.27 1peq h LEU 267 Cb 0.86 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.55 1peq h LEU 267 CO -0.53 1.02 0.10 0.03 0.09 0.00 0.00 178.44 179.14 1peq h ARG 268 N 0.03 0.86 0.81 1.13 3.08 -1.45 -1.38 114.38 117.47 1peq h ARG 268 Ca -0.04 -0.20 -0.04 0.00 0.07 0.00 0.00 59.98 59.78 1peq h ARG 268 Cb 1.68 -0.12 0.01 0.00 0.08 0.00 0.00 29.97 31.62 1peq h ARG 268 CO 0.14 0.80 -0.39 0.35 -1.07 0.00 0.00 179.97 179.80 1peq h PHE 269 N 0.82 -1.01 -0.33 3.04 3.57 -0.61 -1.62 116.94 120.80 1peq h PHE 269 Ca 0.17 -0.02 0.10 0.00 3.53 0.00 0.00 57.97 61.74 1peq h PHE 269 Cb 0.35 0.33 -0.01 0.00 2.79 0.00 0.00 35.95 39.41 1peq h PHE 269 CO 0.02 -0.62 0.24 -0.07 -2.23 0.00 0.00 178.31 175.65 1peq h LEU 270 N -1.11 0.00 -0.26 0.59 4.07 -1.34 -2.16 115.31 115.10 1peq h LEU 270 Ca -0.11 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.85 1peq h LEU 270 Cb 0.84 -0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.58 1peq h LEU 270 CO 0.18 0.00 0.00 -0.67 -1.08 0.00 0.00 178.44 176.88 1peq n ASP 271 N -4.44 0.38 0.28 -0.43 2.03 -0.53 -2.13 116.55 111.71 1peq n ASP 271 Ca 0.05 0.57 0.16 0.00 0.52 0.00 0.00 54.79 56.09 1peq n ASP 271 Cb 0.41 -0.66 0.76 0.00 -0.72 0.00 0.00 41.12 40.91 1peq n ASP 271 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 1peq h THR 272 N 0.00 0.26 -0.41 5.18 1.35 -1.26 -2.98 112.91 115.04 1peq h THR 272 Ca 0.00 -0.53 0.00 0.00 -0.55 0.00 0.00 66.41 65.33 1peq h THR 272 Cb 0.41 1.41 0.00 0.00 -1.73 0.00 0.00 68.15 68.24 1peq h THR 272 CO 0.00 0.07 0.00 0.29 -0.25 0.00 0.00 175.52 175.63 1peq n LYS 273 N -3.30 3.26 0.20 4.72 4.76 -0.91 -3.90 118.16 122.99 1peq n LYS 273 Ca -0.01 -2.65 0.12 0.00 -2.87 0.00 0.00 58.31 52.91 1peq n LYS 273 Cb 0.26 -1.72 0.20 0.00 -1.84 0.00 0.00 35.03 31.94 1peq n LYS 273 CO 0.00 0.00 0.00 -0.09 -1.37 0.00 0.00 177.40 175.94 1peq h ARG 274 N 2.65 0.00 -2.37 1.97 9.65 -1.66 -3.48 114.38 121.13 1peq h ARG 274 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 1peq h ARG 274 Cb 1.27 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.85 1peq h ARG 274 CO 0.18 0.00 0.00 -0.89 2.80 0.00 0.00 179.97 182.06 1peq n ILE 283 N -2.95 0.00 -0.07 1.20 -0.00 -1.25 -5.13 119.36 111.16 1peq n ILE 283 Ca 0.04 0.00 -0.08 0.00 -0.00 0.00 0.00 62.75 62.71 1peq n ILE 283 Cb 0.52 -0.45 -0.09 0.00 -0.00 0.00 0.00 39.64 39.61 1peq n ILE 283 CO 0.00 0.00 0.00 0.29 -0.00 0.00 0.00 176.55 176.84 1peq n LYS 284 N 1.32 1.40 0.00 0.38 5.02 -1.26 -4.79 118.16 120.24 1peq n LYS 284 Ca 0.00 0.03 0.07 0.00 -2.02 0.00 0.00 58.31 56.39 1peq n LYS 284 Cb 0.00 -1.32 -0.06 0.00 -0.02 0.00 0.00 35.03 33.63 1peq n LYS 284 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1peq n THR 285 N -2.64 0.00 -2.65 -0.18 -2.24 -1.26 -4.99 114.28 100.32 1peq n THR 285 Ca -0.23 -0.20 -0.39 0.00 -2.27 0.00 0.00 64.05 60.97 1peq n THR 285 Cb 0.87 1.06 -0.05 0.00 -2.10 0.00 0.00 70.33 70.10 1peq n THR 285 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1peq s LEU 286 N -2.52 4.47 0.29 3.22 1.43 -1.26 -4.67 118.68 119.64 1peq s LEU 286 Ca 0.08 2.02 -0.12 0.00 -1.03 0.00 0.00 54.13 55.08 1peq s LEU 286 Cb 0.12 -3.80 -0.08 0.00 0.03 0.00 0.00 46.19 42.46 1peq s LEU 286 CO 0.56 -0.08 0.67 -0.44 0.23 0.00 0.00 176.35 177.29 1peq s SER 287 N -1.26 6.69 0.15 2.29 0.01 -0.30 -4.96 113.70 116.32 1peq s SER 287 Ca 0.47 1.13 0.07 0.00 1.31 0.00 0.00 55.95 58.92 1peq s SER 287 Cb -0.25 -2.31 -0.04 0.00 0.21 0.00 0.00 66.02 63.63 1peq s SER 287 CO 0.32 -0.17 -0.01 -0.76 0.41 0.00 0.00 173.24 173.03 1peq s LEU 288 N -3.00 3.32 -0.06 2.44 1.43 -1.26 -1.30 118.68 120.25 1peq s LEU 288 Ca 0.51 -0.34 -0.05 0.00 -1.03 0.00 0.00 54.13 53.22 1peq s LEU 288 Cb -0.11 -2.01 0.02 0.00 0.03 0.00 0.00 46.19 44.13 1peq s LEU 288 CO 0.20 0.12 0.16 -0.83 0.23 0.00 0.00 176.35 176.22 1peq s GLY 289 N -2.72 -0.10 -0.03 -3.19 0.00 -0.11 -1.34 107.32 99.83 1peq s GLY 289 Ca 0.26 0.49 0.07 0.00 0.00 0.00 0.00 44.72 45.55 1peq s GLY 289 CO 0.18 0.50 -0.24 0.14 0.00 0.00 0.00 173.10 173.68 1peq s VAL 290 N 0.29 2.24 -0.23 1.40 1.01 0.45 -0.84 120.40 124.72 1peq s VAL 290 Ca -0.02 -1.03 -0.10 0.00 0.00 0.00 0.00 61.98 60.83 1peq s VAL 290 Cb -0.03 -1.80 -0.05 0.00 0.00 0.00 0.00 36.38 34.50 1peq s VAL 290 CO -0.01 0.58 0.15 -0.69 0.00 0.00 0.00 175.10 175.13 1peq s VAL 291 N -0.57 5.37 -0.18 2.92 1.01 -0.73 -1.07 120.40 127.16 1peq s VAL 291 Ca 0.08 0.19 0.00 0.00 0.00 0.00 0.00 61.98 62.26 1peq s VAL 291 Cb -0.11 -3.49 0.04 0.00 0.00 0.00 0.00 36.38 32.82 1peq s VAL 291 CO -0.00 0.38 -0.10 -0.63 0.00 0.00 0.00 175.10 174.75 1peq s ILE 292 N 0.83 1.48 0.86 2.22 1.01 -0.59 -0.47 121.20 126.53 1peq s ILE 292 Ca 0.08 -0.81 -0.13 0.00 0.00 0.00 0.00 60.65 59.80 1peq s ILE 292 Cb -0.13 -1.53 0.13 0.00 0.01 0.00 0.00 42.46 40.94 1peq s ILE 292 CO 0.02 0.23 1.21 -2.16 0.00 0.00 0.00 174.94 174.25 1peq s PRO 293 N 1.48 1.45 0.25 2.79 0.04 -1.26 -3.28 135.00 136.48 1peq s PRO 293 Ca 0.01 -0.17 -0.01 0.00 0.04 0.00 0.00 61.00 60.87 1peq s PRO 293 Cb -0.15 -1.94 0.31 0.00 0.04 0.00 0.00 34.50 32.75 1peq s PRO 293 CO -0.09 -1.88 1.68 -0.44 0.04 0.00 0.00 177.00 176.32 1peq h ASP 294 N -1.23 0.64 -0.91 6.66 3.32 -1.97 -3.10 116.42 119.84 1peq h ASP 294 Ca -0.45 -0.22 0.14 0.00 0.02 0.00 0.00 57.03 56.52 1peq h ASP 294 Cb 1.29 -0.17 -0.07 0.00 0.22 0.00 0.00 39.33 40.59 1peq h ASP 294 CO 0.54 0.85 0.58 -0.29 -1.72 0.00 0.00 179.24 179.20 1peq h ILE 295 N 0.56 0.85 -0.36 0.35 6.09 -1.93 0.16 117.51 123.22 1peq h ILE 295 Ca 0.08 -0.25 0.04 0.00 -1.37 0.00 0.00 64.86 63.36 1peq h ILE 295 Cb 0.68 0.05 -0.02 0.00 0.47 0.00 0.00 36.82 38.00 1peq h ILE 295 CO 0.05 0.13 0.24 0.74 -3.07 0.00 0.00 178.15 176.25 1peq h THR 296 N 0.74 1.00 0.04 2.19 2.02 -1.92 0.00 112.91 116.98 1peq h THR 296 Ca 0.46 -0.12 -0.24 0.00 0.77 0.00 0.00 66.41 67.28 1peq h THR 296 Cb 0.68 0.63 0.00 0.00 -1.74 0.00 0.00 68.15 67.73 1peq h THR 296 CO -0.22 0.06 -1.04 -0.26 0.37 0.00 0.00 175.52 174.44 1peq h PHE 297 N 0.34 0.58 -0.20 3.16 0.04 -0.85 -2.50 116.94 117.50 1peq h PHE 297 Ca 0.15 -0.34 -0.01 0.00 2.80 0.00 0.00 57.97 60.56 1peq h PHE 297 Cb 0.17 -0.05 -0.01 0.00 2.20 0.00 0.00 35.95 38.26 1peq h PHE 297 CO -0.00 1.19 0.08 -0.09 -0.60 0.00 0.00 178.31 178.89 1peq h ARG 298 N 0.18 0.31 0.05 1.51 2.43 -0.70 -2.01 114.38 116.14 1peq h ARG 298 Ca -0.10 -0.06 0.02 0.00 -0.81 0.00 0.00 59.98 59.04 1peq h ARG 298 Cb 1.70 -0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 31.16 1peq h ARG 298 CO 0.18 0.38 -0.23 -0.07 -1.51 0.00 0.00 179.97 178.72 1peq h LEU 299 N 0.17 -0.66 -1.62 3.80 4.07 -1.00 -1.14 115.31 118.93 1peq h LEU 299 Ca 0.07 0.09 0.04 0.00 0.08 0.00 0.00 57.88 58.15 1peq h LEU 299 Cb 0.19 0.26 -0.03 0.00 1.08 0.00 0.00 40.66 42.17 1peq h LEU 299 CO -0.00 -0.30 0.32 0.00 -1.08 0.00 0.00 178.44 177.37 1peq h ALA 300 N 0.44 1.83 -0.10 1.53 0.00 -1.36 -1.31 119.26 120.29 1peq h ALA 300 Ca 0.05 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1peq h ALA 300 Cb 0.44 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 1peq h ALA 300 CO -0.18 0.10 0.06 -0.22 0.00 0.00 0.00 179.25 179.02 1peq h LYS 301 N 0.49 0.14 -0.96 0.00 3.64 -0.45 -1.57 116.57 117.85 1peq h LYS 301 Ca 0.20 -0.01 -0.15 0.00 -1.27 0.00 0.00 60.65 59.42 1peq h LYS 301 Cb 0.18 -0.03 -0.09 0.00 -0.41 0.00 0.00 32.23 31.88 1peq h LYS 301 CO -0.05 0.13 0.19 -0.85 -2.27 0.00 0.00 179.45 176.60 1peq n GLU 302 N -4.99 1.71 -2.48 1.90 0.28 -0.72 -4.87 120.64 111.46 1peq n GLU 302 Ca -0.05 -1.14 -0.02 0.00 -0.16 0.00 0.00 57.16 55.78 1peq n GLU 302 Cb 0.05 -1.52 -0.00 0.00 1.43 0.00 0.00 31.44 31.39 1peq n GLU 302 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 1peq n ASN 303 N -0.04 -1.44 -2.29 -1.84 2.85 -0.59 -4.91 115.26 107.00 1peq n ASN 303 Ca 0.20 0.45 -0.04 0.00 -0.11 0.00 0.00 54.58 55.08 1peq n ASN 303 Cb 0.86 -1.36 0.03 0.00 1.24 0.00 0.00 39.78 40.56 1peq n ASN 303 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1peq n ALA 304 N -2.44 -0.23 -2.79 5.20 0.00 -0.58 -4.93 120.51 114.74 1peq n ALA 304 Ca -0.02 -0.24 -0.26 0.00 0.00 0.00 0.00 53.44 52.92 1peq n ALA 304 Cb 0.51 -0.01 -0.06 0.00 0.00 0.00 0.00 19.45 19.90 1peq n ALA 304 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1peq s GLN 305 N -3.40 2.87 -0.21 0.00 -1.52 -1.26 -3.14 119.66 113.00 1peq s GLN 305 Ca 0.10 -0.88 -0.09 0.00 -1.95 0.00 0.00 55.36 52.54 1peq s GLN 305 Cb -0.00 -2.63 -0.05 0.00 -0.22 0.00 0.00 33.01 30.11 1peq s GLN 305 CO 0.07 0.49 0.12 -1.64 -0.25 0.00 0.00 175.29 174.07 1peq s MET 306 N -3.07 4.03 -0.17 2.91 -1.94 0.12 -4.77 119.30 116.40 1peq s MET 306 Ca 0.31 -0.30 -0.21 0.00 -1.71 0.00 0.00 55.69 53.78 1peq s MET 306 Cb -0.10 -3.40 -0.03 0.00 2.01 0.00 0.00 34.83 33.31 1peq s MET 306 CO 0.23 0.15 0.62 0.00 -0.01 0.00 0.00 175.02 176.02 1peq s ALA 307 N 0.75 3.51 -0.19 3.03 0.00 -1.26 -2.62 121.76 124.97 1peq s ALA 307 Ca 0.06 -0.21 -0.08 0.00 0.00 0.00 0.00 51.96 51.73 1peq s ALA 307 Cb -0.13 -2.93 -0.04 0.00 0.00 0.00 0.00 23.12 20.02 1peq s ALA 307 CO 0.02 -0.43 0.09 -0.51 0.00 0.00 0.00 175.76 174.93 1peq s LEU 308 N 1.62 3.95 0.10 0.00 1.43 0.69 -4.84 118.68 121.62 1peq s LEU 308 Ca 0.30 0.12 0.03 0.00 -1.03 0.00 0.00 54.13 53.54 1peq s LEU 308 Cb -0.16 -2.01 -0.04 0.00 0.03 0.00 0.00 46.19 44.01 1peq s LEU 308 CO 0.11 0.16 0.14 -0.36 0.23 0.00 0.00 176.35 176.64 1peq s PHE 309 N 0.46 3.29 -0.14 0.29 0.40 -1.12 -0.28 117.98 120.88 1peq s PHE 309 Ca 0.05 0.10 -0.20 0.00 -0.60 0.00 0.00 56.93 56.28 1peq s PHE 309 Cb -0.12 -1.64 -0.03 0.00 0.51 0.00 0.00 43.02 41.74 1peq s PHE 309 CO -0.00 0.54 0.59 0.45 0.70 0.00 0.00 175.22 177.49 1peq s SER 310 N -2.64 6.74 0.41 1.36 0.15 -1.09 -4.14 113.70 114.49 1peq s SER 310 Ca 0.31 0.89 0.08 0.00 0.70 0.00 0.00 55.95 57.93 1peq s SER 310 Cb -0.12 -2.34 0.87 0.00 -1.71 0.00 0.00 66.02 62.72 1peq s SER 310 CO 0.24 -0.15 2.04 -0.65 1.20 0.00 0.00 173.24 175.93 1peq h PRO 311 N 7.09 0.46 -0.60 5.44 0.11 -1.90 -0.94 132.00 141.66 1peq h PRO 311 Ca -0.37 -0.04 0.04 0.00 0.11 0.00 0.00 66.00 65.74 1peq h PRO 311 Cb 1.17 -0.10 -0.04 0.00 0.11 0.00 0.00 31.00 32.14 1peq h PRO 311 CO 0.76 0.34 0.35 -0.92 -0.21 0.00 0.00 178.00 178.33 1peq h TYR 312 N 0.47 0.65 -0.09 0.65 3.20 -1.89 -1.88 116.97 118.09 1peq h TYR 312 Ca 0.12 0.02 -0.18 0.00 3.14 0.00 0.00 58.73 61.83 1peq h TYR 312 Cb 0.02 -0.21 0.01 0.00 1.54 0.00 0.00 36.73 38.09 1peq h TYR 312 CO 0.00 0.35 -0.66 -0.44 -1.64 0.00 0.00 178.16 175.77 1peq h ASP 313 N 0.68 0.74 -0.80 -2.11 3.32 -1.54 -2.98 116.42 113.72 1peq h ASP 313 Ca 0.25 -0.67 0.14 0.00 0.02 0.00 0.00 57.03 56.77 1peq h ASP 313 Cb 0.08 -0.22 -0.06 0.00 0.22 0.00 0.00 39.33 39.36 1peq h ASP 313 CO -0.13 1.29 0.53 0.40 -1.72 0.00 0.00 179.24 179.61 1peq h ILE 314 N 0.24 0.83 0.08 0.35 2.04 -1.08 0.85 117.51 120.81 1peq h ILE 314 Ca -0.06 -0.19 -0.00 0.00 1.00 0.00 0.00 64.86 65.61 1peq h ILE 314 Cb 1.32 0.23 0.00 0.00 -0.74 0.00 0.00 36.82 37.63 1peq h ILE 314 CO 0.14 0.10 -0.04 -0.61 0.00 0.00 0.00 178.15 177.74 1peq h GLN 315 N 0.55 -0.10 -0.56 2.37 5.75 -1.31 0.10 115.11 121.91 1peq h GLN 315 Ca 0.40 0.01 0.05 0.00 -0.15 0.00 0.00 58.65 58.95 1peq h GLN 315 Cb 0.75 0.02 -0.05 0.00 1.07 0.00 0.00 27.48 29.28 1peq h GLN 315 CO -0.15 0.34 0.30 0.00 -2.65 0.00 0.00 178.83 176.67 1peq h ARG 316 N -0.58 0.57 0.03 1.69 2.47 -1.11 0.31 114.38 117.76 1peq h ARG 316 Ca -0.01 -0.03 -0.30 0.00 -1.26 0.00 0.00 59.98 58.38 1peq h ARG 316 Cb 0.49 -0.13 -0.04 0.00 -1.65 0.00 0.00 29.97 28.64 1peq h ARG 316 CO 0.02 0.37 -1.68 0.00 0.56 0.00 0.00 179.97 179.24 1peq h ARG 317 N 0.58 0.07 -0.00 0.04 2.47 -0.92 -3.38 114.38 113.24 1peq h ARG 317 Ca 0.25 -0.11 0.00 0.00 -1.26 0.00 0.00 59.98 58.85 1peq h ARG 317 Cb 0.13 0.04 0.00 0.00 -1.65 0.00 0.00 29.97 28.49 1peq h ARG 317 CO -0.15 0.71 -0.67 0.66 0.56 0.00 0.00 179.97 181.07 1peq n TYR 318 N -3.18 0.00 -0.96 3.04 4.02 0.35 -4.99 117.16 115.43 1peq n TYR 318 Ca -0.18 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.71 1peq n TYR 318 Cb 1.04 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.36 1peq n TYR 318 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1peq n GLY 319 N 1.33 0.32 3.19 2.72 0.00 0.11 -5.00 105.19 107.87 1peq n GLY 319 Ca 0.03 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.92 1peq n GLY 319 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1peq s LYS 320 N -0.82 0.89 0.67 1.61 1.02 -1.26 -5.03 119.74 116.83 1peq s LYS 320 Ca 0.00 -1.26 -0.12 0.00 0.02 0.00 0.00 55.97 54.61 1peq s LYS 320 Cb 0.00 -0.48 -0.00 0.00 -0.52 0.00 0.00 37.83 36.83 1peq s LYS 320 CO 0.00 0.06 1.06 -2.14 -0.92 0.00 0.00 175.35 173.41 1peq s PRO 321 N -3.23 2.98 0.21 -1.68 0.02 -1.26 -3.72 135.00 128.32 1peq s PRO 321 Ca 0.09 1.06 -0.20 0.00 0.02 0.00 0.00 61.00 61.98 1peq s PRO 321 Cb 0.00 -1.99 0.19 0.00 0.02 0.00 0.00 34.50 32.72 1peq s PRO 321 CO -0.01 -1.07 1.56 0.35 -0.33 0.00 0.00 177.00 177.49 1peq h PHE 322 N -0.41 -1.15 0.00 6.54 3.04 -1.81 0.53 116.94 123.68 1peq h PHE 322 Ca -0.45 0.10 0.00 0.00 3.98 0.00 0.00 57.97 61.61 1peq h PHE 322 Cb 1.22 0.63 0.00 0.00 2.56 0.00 0.00 35.95 40.36 1peq h PHE 322 CO 0.60 -0.40 0.00 0.41 -2.02 0.00 0.00 178.31 176.90 1peq n GLY 323 N -1.45 0.70 0.00 2.40 0.00 -1.26 -2.94 105.19 102.64 1peq n GLY 323 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1peq n GLY 323 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1peq n ASP 324 N 0.05 1.13 -4.87 1.61 10.43 0.18 -4.73 116.55 120.34 1peq n ASP 324 Ca 0.00 -0.22 -0.22 0.00 2.57 0.00 0.00 54.79 56.92 1peq n ASP 324 Cb 0.14 0.66 0.06 0.00 1.84 0.00 0.00 41.12 43.82 1peq n ASP 324 CO 0.00 0.00 0.00 0.27 -1.07 0.00 0.00 177.20 176.40 1peq s ILE 325 N -0.89 2.45 -0.39 0.53 -4.36 -1.15 -4.94 121.20 112.46 1peq s ILE 325 Ca 0.00 -0.64 -0.09 0.00 -0.26 0.00 0.00 60.65 59.66 1peq s ILE 325 Cb 0.00 -2.81 0.06 0.00 1.25 0.00 0.00 42.46 40.96 1peq s ILE 325 CO 0.00 0.00 0.21 0.00 0.24 0.00 0.00 174.94 175.39 1peq s ALA 326 N -2.90 3.24 0.04 2.27 0.00 -1.26 -4.99 121.76 118.16 1peq s ALA 326 Ca 0.61 -1.97 -0.32 0.00 0.00 0.00 0.00 51.96 50.28 1peq s ALA 326 Cb -0.08 -2.56 -0.18 0.00 0.00 0.00 0.00 23.12 20.30 1peq s ALA 326 CO 0.41 -1.52 1.42 0.82 0.00 0.00 0.00 175.76 176.88 1peq h ILE 327 N 6.05 0.19 -0.56 0.00 1.08 -1.94 -2.05 117.51 120.28 1peq h ILE 327 Ca -0.23 -0.15 0.10 0.00 -0.39 0.00 0.00 64.86 64.19 1peq h ILE 327 Cb 1.09 0.22 -0.11 0.00 -3.07 0.00 0.00 36.82 34.95 1peq h ILE 327 CO 0.70 0.01 -0.29 0.28 -0.69 0.00 0.00 178.15 178.16 1peq h SER 328 N -1.12 -1.02 0.75 1.72 0.02 -1.98 0.76 113.55 112.69 1peq h SER 328 Ca -0.10 0.21 0.00 0.00 -0.84 0.00 0.00 61.79 61.06 1peq h SER 328 Cb 0.79 0.52 0.00 0.00 0.14 0.00 0.00 62.40 63.85 1peq h SER 328 CO 0.17 -0.29 0.00 -0.33 -1.14 0.00 0.00 176.83 175.24 1peq h GLU 329 N -0.15 0.00 -0.01 3.45 5.08 -1.98 -2.58 114.58 118.39 1peq h GLU 329 Ca 0.24 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.60 1peq h GLU 329 Cb 0.53 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.78 1peq h GLU 329 CO -0.64 0.00 0.00 0.54 -1.00 0.00 0.00 179.01 177.91 1peq n ARG 330 N -2.76 2.75 -0.16 2.33 1.74 -0.04 -4.82 116.66 115.70 1peq n ARG 330 Ca 0.01 -1.68 -0.14 0.00 -0.77 0.00 0.00 57.85 55.27 1peq n ARG 330 Cb 0.24 -1.08 -0.10 0.00 -1.02 0.00 0.00 32.46 30.50 1peq n ARG 330 CO 0.00 0.00 0.00 -0.92 -1.52 0.00 0.00 177.63 175.19 1peq h TYR 331 N 0.05 -1.73 -0.45 -1.55 3.20 0.86 0.11 116.97 117.47 1peq h TYR 331 Ca 0.00 0.09 -0.03 0.00 3.14 0.00 0.00 58.73 61.92 1peq h TYR 331 Cb 0.58 0.81 -0.02 0.00 1.54 0.00 0.00 36.73 39.64 1peq h TYR 331 CO 0.01 -0.48 0.15 -0.44 -1.64 0.00 0.00 178.16 175.76 1peq h ASP 332 N -0.37 0.64 -0.39 -2.11 3.45 -1.86 -0.47 116.42 115.30 1peq h ASP 332 Ca 0.08 -0.19 0.07 0.00 0.43 0.00 0.00 57.03 57.42 1peq h ASP 332 Cb 0.58 -0.17 -0.07 0.00 -0.56 0.00 0.00 39.33 39.12 1peq h ASP 332 CO -0.62 0.66 -0.01 -0.08 -1.57 0.00 0.00 179.24 177.61 1peq h GLU 333 N 0.58 0.09 -0.76 3.56 4.81 -1.77 0.15 114.58 121.24 1peq h GLU 333 Ca 0.15 -0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.31 1peq h GLU 333 Cb 0.24 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.57 1peq h GLU 333 CO -0.01 0.06 0.24 -0.07 -0.73 0.00 0.00 179.01 178.50 1peq h LEU 334 N 0.09 1.10 -1.49 1.64 3.38 -0.10 -0.82 115.31 119.12 1peq h LEU 334 Ca 0.19 -0.21 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 1peq h LEU 334 Cb 0.28 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 1peq h LEU 334 CO -0.33 1.01 -0.25 0.40 0.09 0.00 0.00 178.44 179.36 1peq h ILE 335 N 1.13 0.88 0.13 1.22 2.04 0.26 -3.06 117.51 120.10 1peq h ILE 335 Ca 0.24 -0.95 -0.30 0.00 1.00 0.00 0.00 64.86 64.85 1peq h ILE 335 Cb 0.30 1.56 0.00 0.00 -0.74 0.00 0.00 36.82 37.95 1peq h ILE 335 CO -0.01 0.24 -1.43 0.00 0.00 0.00 0.00 178.15 176.95 1peq h ALA 336 N 1.75 0.18 -2.02 1.87 0.00 0.13 -3.44 119.26 117.73 1peq h ALA 336 Ca -0.00 -1.02 -0.58 0.00 0.00 0.00 0.00 54.91 53.32 1peq h ALA 336 Cb 0.54 0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 1peq h ALA 336 CO 0.03 1.05 1.38 0.34 0.00 0.00 0.00 179.25 182.05 1peq s ASP 337 N -7.09 5.76 0.00 0.00 -1.08 -0.43 -4.84 116.67 109.00 1peq s ASP 337 Ca -0.07 1.88 0.22 0.00 -0.52 0.00 0.00 52.55 54.06 1peq s ASP 337 Cb 0.07 -2.52 1.14 0.00 -1.46 0.00 0.00 42.92 40.15 1peq s ASP 337 CO 0.87 -1.72 1.73 -0.81 0.52 0.00 0.00 175.17 175.76 1peq n PRO 338 N 8.42 0.35 -0.03 4.34 -0.04 -1.26 -2.30 135.00 144.47 1peq n PRO 338 Ca 0.26 0.07 0.12 0.00 -0.04 0.00 0.00 63.50 63.91 1peq n PRO 338 Cb 0.45 -1.50 0.52 0.00 -0.04 0.00 0.00 33.50 32.93 1peq n PRO 338 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1peq n HIS 339 N -1.26 0.08 -4.00 0.54 8.25 -1.26 -4.73 115.22 112.83 1peq n HIS 339 Ca 0.11 -0.04 -0.33 0.00 -0.26 0.00 0.00 57.72 57.20 1peq n HIS 339 Cb 0.17 0.00 -0.14 0.00 1.12 0.00 0.00 29.99 31.14 1peq n HIS 339 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1peq s VAL 340 N -1.92 2.54 0.17 1.59 1.01 -0.97 -4.83 120.40 117.99 1peq s VAL 340 Ca 0.36 -1.44 -0.31 0.00 0.00 0.00 0.00 61.98 60.59 1peq s VAL 340 Cb 0.19 -2.44 -0.09 0.00 0.00 0.00 0.00 36.38 34.03 1peq s VAL 340 CO 0.30 -0.00 1.46 -0.60 0.00 0.00 0.00 175.10 176.25 1peq s ARG 341 N 1.19 4.28 0.09 2.72 3.52 -1.26 -4.90 118.95 124.58 1peq s ARG 341 Ca -0.06 2.22 0.07 0.00 -0.13 0.00 0.00 55.73 57.83 1peq s ARG 341 Cb -0.19 -3.18 -0.04 0.00 -1.56 0.00 0.00 34.95 29.98 1peq s ARG 341 CO -0.04 -0.48 -0.10 0.15 -0.81 0.00 0.00 175.30 174.03 1peq s LYS 342 N 0.70 2.18 0.12 5.12 3.01 -1.26 -2.67 119.74 126.94 1peq s LYS 342 Ca 0.65 -0.98 0.03 0.00 -1.01 0.00 0.00 55.97 54.66 1peq s LYS 342 Cb -0.40 -2.32 -0.04 0.00 -1.01 0.00 0.00 37.83 34.05 1peq s LYS 342 CO 0.34 0.52 -0.09 0.99 0.51 0.00 0.00 175.35 177.62 1peq s THR 343 N -1.17 0.97 -0.00 2.17 2.01 0.62 -4.93 115.64 115.30 1peq s THR 343 Ca 0.20 -1.96 0.00 0.00 0.31 0.00 0.00 61.69 60.25 1peq s THR 343 Cb -0.11 -1.72 0.00 0.00 0.01 0.00 0.00 72.50 70.68 1peq s THR 343 CO 0.12 -0.77 -0.01 -0.31 -0.69 0.00 0.00 174.62 172.96 1peq s TYR 344 N -3.32 0.13 0.23 4.92 2.02 -1.26 -0.23 117.35 119.84 1peq s TYR 344 Ca 0.13 -0.02 0.01 0.00 -0.37 0.00 0.00 57.07 56.82 1peq s TYR 344 Cb 0.03 -0.09 -0.04 0.00 -0.40 0.00 0.00 41.96 41.46 1peq s TYR 344 CO -0.01 -0.01 0.15 0.96 -1.57 0.00 0.00 175.55 175.07 1peq s ILE 345 N 0.01 0.07 -0.45 2.71 -4.36 -1.08 -4.97 121.20 113.14 1peq s ILE 345 Ca 0.00 -2.00 -0.23 0.00 -0.26 0.00 0.00 60.65 58.16 1peq s ILE 345 Cb -0.01 -2.51 0.02 0.00 1.25 0.00 0.00 42.46 41.21 1peq s ILE 345 CO -0.00 0.00 0.80 0.21 0.24 0.00 0.00 174.94 176.18 1peq s ASN 346 N -3.21 6.42 0.18 4.36 2.47 -1.26 0.11 114.94 124.00 1peq s ASN 346 Ca 0.39 -0.07 -0.21 0.00 0.42 0.00 0.00 52.86 53.39 1peq s ASN 346 Cb 0.06 -2.39 0.10 0.00 -1.45 0.00 0.00 41.25 37.57 1peq s ASN 346 CO 0.15 -0.92 1.60 0.00 -3.72 0.00 0.00 177.10 174.21 1peq h ALA 347 N 8.96 -0.06 -0.54 1.71 0.00 -1.84 0.41 119.26 127.90 1peq h ALA 347 Ca -0.25 0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1peq h ALA 347 Cb 1.09 0.69 -0.03 0.00 0.00 0.00 0.00 17.79 19.54 1peq h ALA 347 CO 0.96 -0.67 0.32 -0.09 0.00 0.00 0.00 179.25 179.77 1peq h ARG 348 N -0.19 0.73 0.00 0.00 2.43 -1.84 0.79 114.38 116.29 1peq h ARG 348 Ca 0.21 -0.06 -0.06 0.00 -0.81 0.00 0.00 59.98 59.25 1peq h ARG 348 Cb 0.53 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.92 1peq h ARG 348 CO -0.59 0.52 -0.29 -0.44 -1.51 0.00 0.00 179.97 177.66 1peq h ASP 349 N 0.74 0.00 0.25 -3.80 3.45 -0.69 -2.34 116.42 114.04 1peq h ASP 349 Ca 0.19 0.00 -0.01 0.00 0.43 0.00 0.00 57.03 57.64 1peq h ASP 349 Cb -0.02 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.76 1peq h ASP 349 CO -0.04 0.29 -0.12 0.15 -1.57 0.00 0.00 179.24 177.95 1peq h PHE 350 N 0.00 -0.31 -0.06 4.55 3.57 0.13 -0.17 116.94 124.65 1peq h PHE 350 Ca -0.00 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.50 1peq h PHE 350 Cb 0.76 0.10 -0.00 0.00 2.79 0.00 0.00 35.95 39.60 1peq h PHE 350 CO 0.00 -0.05 0.04 0.74 -2.23 0.00 0.00 178.31 176.81 1peq h PHE 351 N -0.54 0.03 -0.24 0.41 0.04 -1.37 0.08 116.94 115.35 1peq h PHE 351 Ca -0.03 0.00 -0.11 0.00 2.80 0.00 0.00 57.97 60.62 1peq h PHE 351 Cb 0.40 -0.01 -0.00 0.00 2.20 0.00 0.00 35.95 38.54 1peq h PHE 351 CO -0.00 0.02 -0.28 0.37 -0.60 0.00 0.00 178.31 177.81 1peq h GLN 352 N 0.03 0.62 -0.26 1.51 5.75 -0.94 -1.01 115.11 120.81 1peq h GLN 352 Ca 0.03 -0.35 -0.03 0.00 -0.15 0.00 0.00 58.65 58.16 1peq h GLN 352 Cb 0.07 0.02 -0.01 0.00 1.07 0.00 0.00 27.48 28.63 1peq h GLN 352 CO -0.00 0.95 0.06 1.15 -2.65 0.00 0.00 178.83 178.34 1peq h THR 353 N 0.33 1.21 -0.29 2.39 2.02 -0.18 -2.04 112.91 116.36 1peq h THR 353 Ca 0.03 -0.70 0.07 0.00 0.77 0.00 0.00 66.41 66.58 1peq h THR 353 Cb 0.86 1.18 -0.08 0.00 -1.74 0.00 0.00 68.15 68.37 1peq h THR 353 CO 0.07 0.23 -0.33 0.25 0.37 0.00 0.00 175.52 176.10 1peq h LEU 354 N 0.25 -1.08 -2.10 2.58 5.85 -0.88 0.57 115.31 120.50 1peq h LEU 354 Ca 0.08 0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.97 1peq h LEU 354 Cb 0.28 0.48 -0.00 0.00 0.37 0.00 0.00 40.66 41.80 1peq h LEU 354 CO 0.00 -0.34 -0.05 0.00 -0.34 0.00 0.00 178.44 177.71 1peq h ALA 355 N 0.59 1.68 0.14 1.25 0.00 -1.06 0.27 119.26 122.14 1peq h ALA 355 Ca 0.14 -0.04 -0.28 0.00 0.00 0.00 0.00 54.91 54.72 1peq h ALA 355 Cb 0.54 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.33 1peq h ALA 355 CO -0.47 0.06 -1.27 0.93 0.00 0.00 0.00 179.25 178.50 1peq h GLU 356 N 0.00 0.29 -0.24 0.00 5.08 -0.21 0.06 114.58 119.57 1peq h GLU 356 Ca -0.00 -0.50 -0.19 0.00 -1.00 0.00 0.00 59.36 57.67 1peq h GLU 356 Cb 0.10 0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.54 1peq h GLU 356 CO 0.01 1.24 -0.61 0.82 -1.00 0.00 0.00 179.01 179.46 1peq h ILE 357 N 0.08 1.28 -0.66 3.13 2.04 -0.64 -3.02 117.51 119.72 1peq h ILE 357 Ca -0.15 -1.81 -0.08 0.00 1.00 0.00 0.00 64.86 63.83 1peq h ILE 357 Cb 1.99 1.75 -0.03 0.00 -0.74 0.00 0.00 36.82 39.79 1peq h ILE 357 CO 0.21 0.58 0.11 1.56 0.00 0.00 0.00 178.15 180.61 1peq h GLN 358 N 0.60 1.08 -0.83 2.37 4.20 -0.89 0.68 115.11 122.32 1peq h GLN 358 Ca -0.00 -0.28 0.17 0.00 0.06 0.00 0.00 58.65 58.59 1peq h GLN 358 Cb 1.21 -0.13 -0.06 0.00 0.30 0.00 0.00 27.48 28.80 1peq h GLN 358 CO 0.13 0.98 0.55 0.35 -0.67 0.00 0.00 178.83 180.17 1peq h PHE 359 N 1.01 0.56 0.04 2.96 3.57 -0.86 0.02 116.94 124.25 1peq h PHE 359 Ca 0.20 0.02 -0.38 0.00 3.53 0.00 0.00 57.97 61.34 1peq h PHE 359 Cb 0.42 -0.18 -0.05 0.00 2.79 0.00 0.00 35.95 38.94 1peq h PHE 359 CO 0.03 0.19 -2.27 -1.91 -2.23 0.00 0.00 178.31 172.12 1peq n GLU 360 N -4.50 0.69 0.00 1.11 4.07 -0.82 -4.69 120.64 116.49 1peq n GLU 360 Ca 0.17 0.18 0.04 0.00 -0.06 0.00 0.00 57.16 57.48 1peq n GLU 360 Cb 0.58 -1.60 -0.03 0.00 -0.06 0.00 0.00 31.44 30.33 1peq n GLU 360 CO 0.00 0.00 0.00 0.43 -0.06 0.00 0.00 177.13 177.50 1peq n SER 361 N -3.28 0.56 0.00 4.31 7.64 0.17 -5.02 113.62 118.01 1peq n SER 361 Ca -0.39 -0.78 0.00 0.00 1.01 0.00 0.00 58.87 58.71 1peq n SER 361 Cb 1.03 0.86 0.00 0.00 -1.01 0.00 0.00 64.21 65.08 1peq n SER 361 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1peq n GLY 362 N 1.08 2.54 3.64 0.23 0.00 -0.01 -4.95 105.19 107.72 1peq n GLY 362 Ca 0.02 -0.62 -0.22 0.00 0.00 0.00 0.00 46.02 45.20 1peq n GLY 362 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1peq n TYR 363 N 0.00 -1.26 -2.09 1.61 0.18 -1.26 -0.71 117.16 113.64 1peq n TYR 363 Ca 0.00 -2.13 -0.37 0.00 1.88 0.00 0.00 57.90 57.27 1peq n TYR 363 Cb 0.00 -0.46 0.01 0.00 -0.38 0.00 0.00 39.34 38.51 1peq n TYR 363 CO 0.00 0.00 0.00 -2.14 -2.08 0.00 0.00 176.86 172.64 1peq s PRO 364 N -4.27 3.50 0.99 -3.48 0.02 -1.26 -3.12 135.00 127.38 1peq s PRO 364 Ca 0.40 1.92 -0.12 0.00 0.02 0.00 0.00 61.00 63.22 1peq s PRO 364 Cb -0.03 -2.32 0.19 0.00 0.02 0.00 0.00 34.50 32.36 1peq s PRO 364 CO 0.25 -0.81 1.08 0.71 -0.33 0.00 0.00 177.00 177.91 1peq s TYR 365 N -1.48 1.98 -0.02 6.54 2.02 -0.45 -4.80 117.35 121.15 1peq s TYR 365 Ca 0.67 1.18 0.01 0.00 -0.37 0.00 0.00 57.07 58.56 1peq s TYR 365 Cb -0.32 -3.19 0.02 0.00 -0.40 0.00 0.00 41.96 38.06 1peq s TYR 365 CO 0.39 -2.93 -0.01 0.42 -1.57 0.00 0.00 175.55 171.85 1peq s ILE 366 N -2.82 0.23 -0.15 2.71 1.01 -0.31 -0.41 121.20 121.45 1peq s ILE 366 Ca 0.65 -0.00 0.00 0.00 0.00 0.00 0.00 60.65 61.31 1peq s ILE 366 Cb -0.20 -0.28 0.02 0.00 0.01 0.00 0.00 42.46 42.01 1peq s ILE 366 CO 0.59 0.13 -0.14 -0.32 0.00 0.00 0.00 174.94 175.20 1peq s MET 367 N 0.67 2.31 -1.28 2.79 1.75 -0.23 -1.01 119.30 124.30 1peq s MET 367 Ca -0.07 -0.57 -0.16 0.00 -1.25 0.00 0.00 55.69 53.64 1peq s MET 367 Cb -0.10 -2.12 0.10 0.00 2.84 0.00 0.00 34.83 35.55 1peq s MET 367 CO -0.01 -0.24 1.66 1.19 -0.65 0.00 0.00 175.02 176.97 1peq n PHE 368 N 4.77 4.70 -0.27 4.11 3.72 -0.87 -1.54 117.46 132.07 1peq n PHE 368 Ca -0.17 -3.01 0.01 0.00 -0.05 0.00 0.00 57.45 54.23 1peq n PHE 368 Cb 0.50 -2.49 0.05 0.00 -0.94 0.00 0.00 39.48 36.60 1peq n PHE 368 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 1peq n GLU 369 N 7.38 -0.14 -0.12 -1.08 2.13 -1.21 -1.00 120.64 126.61 1peq n GLU 369 Ca 0.45 1.11 -0.13 0.00 0.66 0.00 0.00 57.16 59.25 1peq n GLU 369 Cb 0.45 -1.65 -0.02 0.00 0.27 0.00 0.00 31.44 30.48 1peq n GLU 369 CO 0.00 0.00 0.00 -0.44 -0.41 0.00 0.00 177.13 176.28 1peq h ASP 370 N 0.00 0.95 -0.53 4.31 3.45 -1.89 -1.32 116.42 121.38 1peq h ASP 370 Ca 0.28 -0.46 0.02 0.00 0.43 0.00 0.00 57.03 57.29 1peq h ASP 370 Cb 0.46 -0.27 -0.03 0.00 -0.56 0.00 0.00 39.33 38.93 1peq h ASP 370 CO -0.72 1.21 0.34 0.74 -1.57 0.00 0.00 179.24 179.24 1peq h THR 371 N 0.70 1.09 0.32 0.35 2.02 -1.54 -2.04 112.91 113.82 1peq h THR 371 Ca 0.06 -0.23 -0.02 0.00 0.77 0.00 0.00 66.41 67.00 1peq h THR 371 Cb 0.93 0.36 0.00 0.00 -1.74 0.00 0.00 68.15 67.70 1peq h THR 371 CO 0.09 0.12 -0.15 0.58 0.37 0.00 0.00 175.52 176.53 1peq h VAL 372 N 0.67 0.70 -0.18 3.16 2.07 -0.76 -2.28 116.25 119.64 1peq h VAL 372 Ca 0.21 -0.17 -0.05 0.00 0.82 0.00 0.00 66.70 67.51 1peq h VAL 372 Cb -0.02 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 1peq h VAL 372 CO -0.07 0.04 -0.10 0.78 0.02 0.00 0.00 177.57 178.23 1peq h ASN 373 N -0.52 0.27 0.07 0.57 2.35 -1.21 -0.16 115.58 116.96 1peq h ASN 373 Ca -0.04 -0.05 -0.10 0.00 -0.55 0.00 0.00 56.30 55.55 1peq h ASN 373 Cb 0.39 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.68 1peq h ASN 373 CO 0.07 0.40 -0.34 -0.09 -1.65 0.00 0.00 177.43 175.83 1peq h ARG 374 N 0.27 0.38 0.00 0.81 2.43 -1.16 -2.30 114.38 114.81 1peq h ARG 374 Ca 0.06 -0.16 0.00 0.00 -0.81 0.00 0.00 59.98 59.06 1peq h ARG 374 Cb 0.35 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.89 1peq h ARG 374 CO 0.02 0.68 -0.65 0.00 -1.51 0.00 0.00 179.97 178.51 1peq n ALA 375 N -2.48 3.47 -2.14 2.80 0.00 -0.87 -4.89 120.51 116.39 1peq n ALA 375 Ca -0.01 -0.35 -0.43 0.00 0.00 0.00 0.00 53.44 52.65 1peq n ALA 375 Cb 0.45 -1.08 -0.02 0.00 0.00 0.00 0.00 19.45 18.79 1peq n ALA 375 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1peq s ASN 376 N -3.41 6.56 0.00 0.00 2.47 -0.12 -4.87 114.94 115.56 1peq s ASN 376 Ca 0.09 1.79 0.28 0.00 0.42 0.00 0.00 52.86 55.43 1peq s ASN 376 Cb 0.16 -2.53 1.56 0.00 -1.45 0.00 0.00 41.25 38.98 1peq s ASN 376 CO 0.73 -1.08 2.02 -0.81 -3.72 0.00 0.00 177.10 174.24 1peq n PRO 377 N 7.33 1.16 -4.12 0.43 -0.04 -1.26 -4.83 135.00 133.66 1peq n PRO 377 Ca 0.17 -0.23 -0.35 0.00 -0.04 0.00 0.00 63.50 63.05 1peq n PRO 377 Cb 0.45 -1.45 -0.09 0.00 -0.04 0.00 0.00 33.50 32.36 1peq n PRO 377 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1peq s ILE 378 N -1.99 4.73 0.08 0.52 -1.09 -1.26 -1.08 121.20 121.11 1peq s ILE 378 Ca 0.42 -0.07 -0.33 0.00 -2.23 0.00 0.00 60.65 58.44 1peq s ILE 378 Cb 0.20 -3.07 -0.12 0.00 -1.58 0.00 0.00 42.46 37.89 1peq s ILE 378 CO 0.33 0.54 1.77 0.00 -1.23 0.00 0.00 174.94 176.35 1peq n ALA 379 N 2.77 1.57 0.00 9.38 0.00 -1.26 -4.71 120.51 128.27 1peq n ALA 379 Ca -0.18 0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.61 1peq n ALA 379 Cb 0.53 -2.49 0.00 0.00 0.00 0.00 0.00 19.45 17.49 1peq n ALA 379 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1peq n GLY 380 N 4.03 2.06 3.73 0.00 0.00 -1.26 -4.97 105.19 108.78 1peq n GLY 380 Ca 0.19 -2.11 -0.24 0.00 0.00 0.00 0.00 46.02 43.86 1peq n GLY 380 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1peq s ARG 381 N -1.62 2.61 -0.28 1.61 0.52 -1.26 -5.01 118.95 115.52 1peq s ARG 381 Ca 0.00 -1.15 -0.03 0.00 -0.52 0.00 0.00 55.73 54.03 1peq s ARG 381 Cb 0.00 -2.41 0.03 0.00 0.52 0.00 0.00 34.95 33.09 1peq s ARG 381 CO 0.00 0.41 -0.01 0.42 0.02 0.00 0.00 175.30 176.15 1peq s ILE 382 N -2.04 3.16 -1.29 1.52 1.01 -1.26 -4.42 121.20 117.88 1peq s ILE 382 Ca 0.31 -1.07 0.11 0.00 0.00 0.00 0.00 60.65 60.00 1peq s ILE 382 Cb -0.08 -2.68 0.07 0.00 0.01 0.00 0.00 42.46 39.78 1peq s ILE 382 CO 0.22 0.07 0.80 -0.46 0.00 0.00 0.00 174.94 175.57 1peq n ASN 383 N 4.70 1.76 -3.01 3.58 0.23 -1.26 -4.85 115.26 116.41 1peq n ASN 383 Ca -0.15 -1.38 -0.10 0.00 -0.53 0.00 0.00 54.58 52.42 1peq n ASN 383 Cb 0.46 0.12 0.01 0.00 -2.08 0.00 0.00 39.78 38.29 1peq n ASN 383 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1peq s MET 384 N -1.05 2.15 0.00 -3.83 0.23 -1.26 -4.96 119.30 110.58 1peq s MET 384 Ca 0.12 -1.52 0.00 0.00 -1.03 0.00 0.00 55.69 53.26 1peq s MET 384 Cb 0.09 0.58 0.00 0.00 -1.53 0.00 0.00 34.83 33.97 1peq s MET 384 CO 0.17 -0.98 0.00 0.45 -2.03 0.00 0.00 175.02 172.63 1peq n SER 385 N -1.41 0.00 -4.39 -1.18 2.88 -1.26 -4.68 113.62 103.57 1peq n SER 385 Ca -0.06 -0.67 -0.21 0.00 -1.33 0.00 0.00 58.87 56.60 1peq n SER 385 Cb 0.60 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 64.07 1peq n SER 385 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 1peq n ASN 386 N -1.45 2.40 0.21 -3.46 6.94 -1.26 -4.82 115.26 113.83 1peq n ASN 386 Ca 0.00 -2.56 0.12 0.00 -0.02 0.00 0.00 54.58 52.12 1peq n ASN 386 Cb 0.00 -0.07 0.63 0.00 -2.36 0.00 0.00 39.78 37.97 1peq n ASN 386 CO 0.00 0.00 0.00 0.25 -1.03 0.00 0.00 177.26 176.48 1peq h LEU 387 N 0.00 0.00 -2.70 -4.53 5.85 -1.90 -1.45 115.31 110.58 1peq h LEU 387 Ca -0.29 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.43 1peq h LEU 387 Cb 1.07 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.10 1peq h LEU 387 CO 0.44 0.00 0.00 0.00 -0.34 0.00 0.00 178.44 178.54 1peq n SER 389 N -0.43 -5.33 0.00 0.00 3.41 -0.55 -4.27 113.62 106.46 1peq n SER 389 Ca 0.00 0.35 0.07 0.00 -0.26 0.00 0.00 58.87 59.03 1peq n SER 389 Cb 0.24 -4.25 -0.13 0.00 -0.26 0.00 0.00 64.21 59.82 1peq n SER 389 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 1peq n GLU 390 N -1.37 0.65 -3.13 4.33 -0.00 -1.26 -4.43 120.64 115.44 1peq n GLU 390 Ca -0.14 -0.07 -0.39 0.00 -0.00 0.00 0.00 57.16 56.55 1peq n GLU 390 Cb 0.60 -1.61 -0.05 0.00 -0.00 0.00 0.00 31.44 30.38 1peq n GLU 390 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 1peq s ILE 391 N -3.30 5.08 -0.26 3.84 -1.09 -1.26 -1.08 121.20 123.13 1peq s ILE 391 Ca -0.06 1.27 -0.04 0.00 -2.23 0.00 0.00 60.65 59.59 1peq s ILE 391 Cb 0.12 -3.97 0.10 0.00 -1.58 0.00 0.00 42.46 37.13 1peq s ILE 391 CO 0.87 0.24 0.15 -0.76 -1.23 0.00 0.00 174.94 174.21 1peq s LEU 392 N 1.01 0.33 0.20 2.97 1.43 -1.26 -4.00 118.68 119.35 1peq s LEU 392 Ca 0.33 -0.99 -0.02 0.00 -1.03 0.00 0.00 54.13 52.42 1peq s LEU 392 Cb -0.17 -0.14 -0.04 0.00 0.03 0.00 0.00 46.19 45.88 1peq s LEU 392 CO 0.14 -0.41 0.15 -1.10 0.23 0.00 0.00 176.35 175.37 1peq s GLN 393 N 2.17 1.20 0.52 1.70 -0.21 -1.26 -4.69 119.66 119.08 1peq s GLN 393 Ca 0.07 -1.59 -0.05 0.00 0.02 0.00 0.00 55.36 53.81 1peq s GLN 393 Cb -0.16 0.28 -0.02 0.00 1.00 0.00 0.00 33.01 34.12 1peq s GLN 393 CO -0.29 -0.40 0.83 0.14 -2.12 0.00 0.00 175.29 173.45 1peq s VAL 394 N -4.14 4.44 0.30 1.09 -7.23 -1.26 -4.68 120.40 108.91 1peq s VAL 394 Ca 0.37 0.12 -0.04 0.00 -1.81 0.00 0.00 61.98 60.62 1peq s VAL 394 Cb 0.06 -3.71 -0.01 0.00 0.56 0.00 0.00 36.38 33.29 1peq s VAL 394 CO 0.11 -0.71 0.41 0.54 -0.31 0.00 0.00 175.10 175.14 1peq s ASN 395 N -4.18 0.60 0.02 4.85 2.20 -1.26 -4.86 114.94 112.30 1peq s ASN 395 Ca 0.50 -1.35 -0.18 0.00 -0.94 0.00 0.00 52.86 50.88 1peq s ASN 395 Cb -0.10 0.60 0.03 0.00 -2.00 0.00 0.00 41.25 39.78 1peq s ASN 395 CO 0.45 -1.18 0.40 -0.94 -2.94 0.00 0.00 177.10 172.90 1peq s SER 396 N -3.18 -0.28 0.63 3.54 1.04 -0.53 -4.92 113.70 110.00 1peq s SER 396 Ca 0.30 0.07 -0.16 0.00 0.48 0.00 0.00 55.95 56.64 1peq s SER 396 Cb 0.01 0.40 -0.02 0.00 0.10 0.00 0.00 66.02 66.52 1peq s SER 396 CO 0.17 -0.61 1.11 0.00 0.98 0.00 0.00 173.24 174.89 1peq s ALA 397 N -2.10 2.53 0.14 5.32 0.00 -1.26 -2.71 121.76 123.69 1peq s ALA 397 Ca -0.08 0.61 0.09 0.00 0.00 0.00 0.00 51.96 52.58 1peq s ALA 397 Cb -0.02 -3.32 -0.04 0.00 0.00 0.00 0.00 23.12 19.74 1peq s ALA 397 CO 0.00 -1.14 -0.15 -1.12 0.00 0.00 0.00 175.76 173.36 1peq s SER 398 N -2.40 4.05 0.16 0.00 0.01 -1.26 -3.54 113.70 110.72 1peq s SER 398 Ca 0.68 -0.56 0.10 0.00 1.31 0.00 0.00 55.95 57.48 1peq s SER 398 Cb -0.21 -0.62 -0.04 0.00 0.21 0.00 0.00 66.02 65.35 1peq s SER 398 CO 0.38 0.15 -0.23 -0.13 0.41 0.00 0.00 173.24 173.82 1peq s ARG 399 N -2.40 1.38 0.22 12.44 0.52 -0.64 -4.91 118.95 125.55 1peq s ARG 399 Ca 0.21 -1.41 0.06 0.00 -0.52 0.00 0.00 55.73 54.07 1peq s ARG 399 Cb -0.10 -1.67 -0.05 0.00 0.52 0.00 0.00 34.95 33.65 1peq s ARG 399 CO 0.12 0.37 -0.10 0.71 0.02 0.00 0.00 175.30 176.42 1peq s TYR 400 N -1.56 1.68 0.54 -0.53 2.02 -1.26 -1.70 117.35 116.54 1peq s TYR 400 Ca 0.16 -0.68 -0.01 0.00 -0.37 0.00 0.00 57.07 56.17 1peq s TYR 400 Cb -0.08 -0.86 0.02 0.00 -0.40 0.00 0.00 41.96 40.64 1peq s TYR 400 CO 0.08 0.25 0.79 0.34 -1.57 0.00 0.00 175.55 175.43 1peq s ASP 401 N -3.32 5.46 0.51 2.29 -1.08 0.33 -4.76 116.67 116.09 1peq s ASP 401 Ca 0.24 0.26 0.29 0.00 -0.52 0.00 0.00 52.55 52.82 1peq s ASP 401 Cb 0.02 -1.25 1.29 0.00 -1.46 0.00 0.00 42.92 41.52 1peq s ASP 401 CO 0.07 -1.04 1.97 0.44 0.52 0.00 0.00 175.17 177.14 1peq h ASP 402 N 0.06 0.00 -0.03 -0.34 3.32 -2.01 -1.28 116.42 116.15 1peq h ASP 402 Ca -0.44 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.61 1peq h ASP 402 Cb 1.28 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.83 1peq h ASP 402 CO 0.56 0.11 0.00 -0.46 -1.72 0.00 0.00 179.24 177.73 1peq n ASN 403 N -3.33 0.46 0.00 6.45 0.23 -1.26 -4.84 115.26 112.97 1peq n ASN 403 Ca -0.00 -1.32 0.00 0.00 -0.53 0.00 0.00 54.58 52.73 1peq n ASN 403 Cb 0.32 -0.01 0.00 0.00 -2.08 0.00 0.00 39.78 38.01 1peq n ASN 403 CO 0.00 0.00 0.00 -0.11 -0.93 0.00 0.00 177.26 176.22 1peq n LEU 404 N -0.57 0.00 -4.72 -4.53 7.94 -0.48 -5.04 117.00 109.60 1peq n LEU 404 Ca 0.19 0.00 -0.38 0.00 -1.11 0.00 0.00 56.01 54.70 1peq n LEU 404 Cb 0.16 0.00 0.05 0.00 0.53 0.00 0.00 43.42 44.16 1peq n LEU 404 CO 0.14 0.00 0.92 0.47 -1.11 0.00 0.00 177.39 177.81 1peq n ASP 405 N 0.00 2.35 -4.72 1.96 9.92 -1.26 -4.68 116.55 120.12 1peq n ASP 405 Ca 0.00 0.93 -0.42 0.00 -0.53 0.00 0.00 54.79 54.78 1peq n ASP 405 Cb 0.00 -1.55 -0.04 0.00 -0.64 0.00 0.00 41.12 38.89 1peq n ASP 405 CO 0.00 0.00 0.00 -0.31 0.13 0.00 0.00 177.20 177.02 1peq s TYR 406 N -1.33 3.60 -0.14 1.24 1.51 -1.26 -0.51 117.35 120.46 1peq s TYR 406 Ca 0.74 1.57 0.20 0.00 -1.01 0.00 0.00 57.07 58.58 1peq s TYR 406 Cb -0.41 -3.24 -0.30 0.00 -0.11 0.00 0.00 41.96 37.89 1peq s TYR 406 CO 0.47 -0.51 0.50 0.25 -1.11 0.00 0.00 175.55 175.15 1peq n THR 407 N 3.26 0.00 -3.52 -0.71 -2.24 -0.69 -4.82 114.28 105.56 1peq n THR 407 Ca 0.05 -0.41 -0.10 0.00 -2.27 0.00 0.00 64.05 61.33 1peq n THR 407 Cb 0.48 0.16 -0.09 0.00 -2.10 0.00 0.00 70.33 68.77 1peq n THR 407 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 1peq s HIS 408 N -3.35 -0.75 -0.50 4.78 5.65 -1.14 -4.95 115.29 115.03 1peq s HIS 408 Ca -0.06 1.13 -0.24 0.00 0.25 0.00 0.00 55.06 56.14 1peq s HIS 408 Cb 0.13 0.12 0.03 0.00 -1.18 0.00 0.00 32.58 31.69 1peq s HIS 408 CO 0.84 -0.57 0.87 0.42 -0.65 0.00 0.00 174.74 175.65 1peq s ILE 409 N 2.56 4.51 0.00 0.89 1.01 -1.26 -1.62 121.20 127.28 1peq s ILE 409 Ca 0.05 0.39 0.00 0.00 0.00 0.00 0.00 60.65 61.09 1peq s ILE 409 Cb -0.14 -4.44 0.00 0.00 0.01 0.00 0.00 42.46 37.90 1peq s ILE 409 CO -0.14 -0.92 0.00 0.61 0.00 0.00 0.00 174.94 174.50 1peq n GLY 410 N 5.04 -0.41 2.94 6.18 0.00 -1.23 -4.94 105.19 112.76 1peq n GLY 410 Ca 0.02 -1.59 -0.29 0.00 0.00 0.00 0.00 46.02 44.16 1peq n GLY 410 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1peq s HIS 411 N 0.00 2.04 0.28 1.61 0.09 -1.10 -4.50 115.29 113.71 1peq s HIS 411 Ca 0.00 -1.34 0.03 0.00 -0.00 0.00 0.00 55.06 53.75 1peq s HIS 411 Cb 0.00 -1.47 0.03 0.00 -0.00 0.00 0.00 32.58 31.15 1peq s HIS 411 CO 0.00 -0.68 0.28 -0.25 -0.00 0.00 0.00 174.74 174.09 1peq n ASP 412 N 4.78 1.55 -4.07 1.40 8.00 -0.45 -1.45 116.55 126.31 1peq n ASP 412 Ca -0.13 -1.87 -0.29 0.00 0.71 0.00 0.00 54.79 53.22 1peq n ASP 412 Cb 0.47 -0.09 -0.17 0.00 -0.02 0.00 0.00 41.12 41.31 1peq n ASP 412 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1peq s ILE 413 N -1.13 1.54 0.34 0.53 1.01 -0.68 -4.36 121.20 118.45 1peq s ILE 413 Ca 0.21 -0.67 0.08 0.00 0.00 0.00 0.00 60.65 60.27 1peq s ILE 413 Cb -0.02 -1.40 -0.04 0.00 0.01 0.00 0.00 42.46 41.02 1peq s ILE 413 CO 0.13 0.45 0.16 -0.94 0.00 0.00 0.00 174.94 174.74 1peq s SER 414 N 0.92 4.78 -0.20 3.58 1.04 -1.26 0.54 113.70 123.10 1peq s SER 414 Ca -0.08 -0.72 -0.05 0.00 0.48 0.00 0.00 55.95 55.58 1peq s SER 414 Cb -0.15 -0.77 0.07 0.00 0.10 0.00 0.00 66.02 65.27 1peq s SER 414 CO -0.01 -0.30 0.13 0.00 0.98 0.00 0.00 173.24 174.04 1peq s ASN 416 N 2.17 6.37 0.27 0.00 0.01 -1.26 -4.53 114.94 117.97 1peq s ASN 416 Ca 0.04 -0.12 0.12 0.00 -0.71 0.00 0.00 52.86 52.19 1peq s ASN 416 Cb -0.16 -2.33 -0.05 0.00 0.41 0.00 0.00 41.25 39.12 1peq s ASN 416 CO -0.14 -0.72 -0.20 -0.76 -1.51 0.00 0.00 177.10 173.77 1peq s LEU 417 N 2.83 2.57 -0.16 0.60 2.01 -1.26 -0.72 118.68 124.55 1peq s LEU 417 Ca 0.24 -1.01 -0.30 0.00 0.01 0.00 0.00 54.13 53.06 1peq s LEU 417 Cb -0.14 -1.08 0.13 0.00 0.01 0.00 0.00 46.19 45.11 1peq s LEU 417 CO 0.18 0.03 1.06 -0.83 1.01 0.00 0.00 176.35 177.80 1peq s GLY 418 N -3.42 -0.25 -0.00 -3.19 0.00 -1.12 -1.99 107.32 97.35 1peq s GLY 418 Ca 0.29 1.92 0.02 0.00 0.00 0.00 0.00 44.72 46.95 1peq s GLY 418 CO 0.14 0.86 -0.07 -0.56 0.00 0.00 0.00 173.10 173.47 1peq s SER 419 N -1.46 0.84 0.36 1.64 0.01 -0.52 -0.46 113.70 114.11 1peq s SER 419 Ca 0.02 -0.16 -0.25 0.00 1.31 0.00 0.00 55.95 56.88 1peq s SER 419 Cb -0.01 -0.08 -0.10 0.00 0.21 0.00 0.00 66.02 66.04 1peq s SER 419 CO -0.02 0.07 0.98 -0.76 0.41 0.00 0.00 173.24 173.91 1peq s LEU 420 N -0.26 4.22 -0.45 2.44 1.02 -0.99 -0.90 118.68 123.75 1peq s LEU 420 Ca 0.02 1.88 -0.14 0.00 0.02 0.00 0.00 54.13 55.90 1peq s LEU 420 Cb -0.03 -4.14 0.06 0.00 0.02 0.00 0.00 46.19 42.10 1peq s LEU 420 CO -0.00 -0.24 0.35 0.21 0.02 0.00 0.00 176.35 176.69 1peq s ASN 421 N -1.68 6.06 0.30 2.29 3.84 -0.95 -1.94 114.94 122.86 1peq s ASN 421 Ca 0.54 -1.26 0.03 0.00 0.21 0.00 0.00 52.86 52.39 1peq s ASN 421 Cb -0.18 -2.15 0.76 0.00 -0.55 0.00 0.00 41.25 39.13 1peq s ASN 421 CO 0.23 -0.59 1.62 0.40 -2.79 0.00 0.00 177.10 175.98 1peq h ILE 422 N 5.78 0.22 0.43 -5.21 2.04 -1.67 -0.29 117.51 118.81 1peq h ILE 422 Ca -0.27 -0.05 -0.02 0.00 1.00 0.00 0.00 64.86 65.52 1peq h ILE 422 Cb 1.11 0.07 0.00 0.00 -0.74 0.00 0.00 36.82 37.26 1peq h ILE 422 CO 0.83 0.03 -0.21 0.00 0.00 0.00 0.00 178.15 178.80 1peq h ALA 423 N 1.84 -0.57 -0.22 1.87 0.00 -1.82 -1.05 119.26 119.31 1peq h ALA 423 Ca 0.58 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.33 1peq h ALA 423 Cb 1.22 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 19.22 1peq h ALA 423 CO -0.72 -0.77 0.09 0.45 0.00 0.00 0.00 179.25 178.29 1peq h HIS 424 N -0.68 0.29 -0.11 0.00 3.86 -1.60 -0.18 115.15 116.73 1peq h HIS 424 Ca -0.06 -0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.14 1peq h HIS 424 Cb 0.49 -0.09 -0.00 0.00 1.06 0.00 0.00 27.41 28.87 1peq h HIS 424 CO -0.02 0.23 0.05 0.28 0.86 0.00 0.00 177.93 179.33 1peq h VAL 425 N 0.30 1.13 -0.02 2.45 2.07 -0.19 -2.10 116.25 119.89 1peq h VAL 425 Ca 0.08 -0.38 -0.00 0.00 0.82 0.00 0.00 66.70 67.22 1peq h VAL 425 Cb 0.06 1.18 -0.00 0.00 -1.52 0.00 0.00 31.29 31.00 1peq h VAL 425 CO -0.01 0.11 -0.01 0.24 0.02 0.00 0.00 177.57 177.93 1peq h MET 426 N 0.04 0.02 0.00 1.57 2.86 -0.15 -1.00 114.93 118.28 1peq h MET 426 Ca 0.04 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.68 1peq h MET 426 Cb 0.14 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.79 1peq h MET 426 CO -0.00 0.03 0.00 -0.25 1.06 0.00 0.00 176.91 177.75 1peq n ASP 427 N -4.52 0.00 -4.03 1.22 10.43 -0.19 -4.63 116.55 114.84 1peq n ASP 427 Ca -0.03 -0.86 -0.30 0.00 2.57 0.00 0.00 54.79 56.18 1peq n ASP 427 Cb 0.10 0.00 -0.16 0.00 1.84 0.00 0.00 41.12 42.90 1peq n ASP 427 CO 0.00 0.00 0.00 -0.55 -1.07 0.00 0.00 177.20 175.58 1peq s SER 428 N -1.87 2.65 0.21 -2.24 0.15 -0.38 -5.04 113.70 107.17 1peq s SER 428 Ca 0.29 -0.48 -0.09 0.00 0.70 0.00 0.00 55.95 56.37 1peq s SER 428 Cb 0.13 -1.17 0.25 0.00 -1.71 0.00 0.00 66.02 63.53 1peq s SER 428 CO 0.22 -0.04 1.78 -0.65 1.20 0.00 0.00 173.24 175.75 1peq h PRO 429 N 7.94 0.53 -3.97 5.44 0.11 -1.82 -3.27 132.00 136.96 1peq h PRO 429 Ca -0.37 -0.03 -0.66 0.00 0.11 0.00 0.00 66.00 65.05 1peq h PRO 429 Cb 1.14 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.13 1peq h PRO 429 CO 0.52 0.35 2.94 -3.47 -0.21 0.00 0.00 178.00 178.13 1peq n ASP 430 N -4.88 4.18 0.27 -2.05 4.64 -1.26 -4.59 116.55 112.86 1peq n ASP 430 Ca 0.08 -2.71 0.15 0.00 -1.38 0.00 0.00 54.79 50.93 1peq n ASP 430 Cb 0.22 -1.44 0.68 0.00 -1.04 0.00 0.00 41.12 39.55 1peq n ASP 430 CO 0.00 0.00 0.00 -0.29 -0.82 0.00 0.00 177.20 176.09 1peq h ILE 431 N 3.97 0.20 0.00 5.18 2.10 -1.89 -1.59 117.51 125.48 1peq h ILE 431 Ca 0.56 -0.62 -0.10 0.00 1.08 0.00 0.00 64.86 65.78 1peq h ILE 431 Cb 0.56 1.51 -0.01 0.00 -1.09 0.00 0.00 36.82 37.78 1peq h ILE 431 CO 1.86 0.07 -0.47 1.23 -1.08 0.00 0.00 178.15 179.76 1peq h GLY 432 N 1.72 0.00 1.63 8.18 0.00 -1.93 -2.69 103.07 109.99 1peq h GLY 432 Ca -0.00 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 47.07 1peq h GLY 432 CO 0.01 0.00 -1.25 -0.09 0.00 0.00 0.00 176.54 175.21 1peq h ARG 433 N 0.00 0.18 -0.52 4.80 2.43 -1.69 -2.64 114.38 116.94 1peq h ARG 433 Ca -0.00 -0.31 -0.01 0.00 -0.81 0.00 0.00 59.98 58.85 1peq h ARG 433 Cb 0.88 0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 30.52 1peq h ARG 433 CO 0.06 1.11 0.29 1.15 -1.51 0.00 0.00 179.97 181.07 1peq h THR 434 N 0.05 1.17 -0.10 0.20 2.02 -1.35 -1.57 112.91 113.34 1peq h THR 434 Ca -0.13 -0.42 -0.14 0.00 0.77 0.00 0.00 66.41 66.49 1peq h THR 434 Cb 1.93 0.51 0.01 0.00 -1.74 0.00 0.00 68.15 68.86 1peq h THR 434 CO 0.17 0.18 -0.50 0.58 0.37 0.00 0.00 175.52 176.32 1peq h VAL 435 N 0.69 1.37 -0.68 3.16 2.07 -1.54 -3.07 116.25 118.25 1peq h VAL 435 Ca 0.18 -1.83 -0.01 0.00 0.82 0.00 0.00 66.70 65.86 1peq h VAL 435 Cb 0.03 2.22 -0.03 0.00 -1.52 0.00 0.00 31.29 31.99 1peq h VAL 435 CO -0.03 0.55 0.39 -0.08 0.02 0.00 0.00 177.57 178.42 1peq h GLU 436 N 0.09 0.92 0.02 1.57 4.81 -1.36 -0.41 114.58 120.22 1peq h GLU 436 Ca -0.04 -0.08 -0.00 0.00 -0.13 0.00 0.00 59.36 59.11 1peq h GLU 436 Cb 1.14 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 30.33 1peq h GLU 436 CO 0.10 0.66 -0.01 1.15 -0.73 0.00 0.00 179.01 180.18 1peq h THR 437 N 0.93 1.09 -0.32 0.32 2.02 -1.33 -0.24 112.91 115.38 1peq h THR 437 Ca 0.24 -0.34 0.05 0.00 0.77 0.00 0.00 66.41 67.13 1peq h THR 437 Cb -0.01 1.32 -0.04 0.00 -1.74 0.00 0.00 68.15 67.67 1peq h THR 437 CO -0.04 0.09 0.05 0.00 0.37 0.00 0.00 175.52 175.98 1peq h ALA 438 N 0.80 0.33 -0.67 6.16 0.00 -1.35 0.76 119.26 125.30 1peq h ALA 438 Ca -0.00 0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.98 1peq h ALA 438 Cb 0.16 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 1peq h ALA 438 CO 0.00 -0.36 0.44 0.82 0.00 0.00 0.00 179.25 180.16 1peq h ILE 439 N 0.16 1.17 -0.16 0.00 1.08 -1.03 0.21 117.51 118.95 1peq h ILE 439 Ca 0.15 -0.32 -0.07 0.00 -0.39 0.00 0.00 64.86 64.23 1peq h ILE 439 Cb 0.18 0.19 -0.01 0.00 -3.07 0.00 0.00 36.82 34.10 1peq h ILE 439 CO -0.21 0.17 -0.21 0.03 -0.69 0.00 0.00 178.15 177.23 1peq h ARG 440 N 0.91 0.28 -0.16 2.37 3.08 0.02 0.17 114.38 121.05 1peq h ARG 440 Ca 0.25 -0.08 -0.15 0.00 0.07 0.00 0.00 59.98 60.06 1peq h ARG 440 Cb -0.10 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 29.93 1peq h ARG 440 CO -0.05 0.49 -0.50 0.78 -1.07 0.00 0.00 179.97 179.62 1peq h GLY 441 N 0.92 0.68 1.05 0.04 0.00 0.21 -2.71 103.07 103.26 1peq h GLY 441 Ca 0.04 -0.89 -0.11 0.00 0.00 0.00 0.00 47.33 46.38 1peq h GLY 441 CO 0.04 0.79 -0.15 1.41 0.00 0.00 0.00 176.54 178.63 1peq h LEU 442 N 0.29 0.92 -1.80 3.11 3.38 -0.38 -2.21 115.31 118.61 1peq h LEU 442 Ca -0.02 -0.38 0.10 0.00 0.09 0.00 0.00 57.88 57.67 1peq h LEU 442 Cb 1.12 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.59 1peq h LEU 442 CO 0.11 1.09 0.33 0.74 0.09 0.00 0.00 178.44 180.80 1peq h THR 443 N 0.74 0.87 -0.26 0.22 2.02 -0.67 0.35 112.91 116.19 1peq h THR 443 Ca 0.11 -0.08 -0.11 0.00 0.77 0.00 0.00 66.41 67.10 1peq h THR 443 Cb 0.71 0.62 -0.00 0.00 -1.74 0.00 0.00 68.15 67.74 1peq h THR 443 CO 0.05 0.04 -0.28 0.00 0.37 0.00 0.00 175.52 175.70 1peq h ALA 444 N 1.76 0.38 -0.71 6.16 0.00 -1.14 0.54 119.26 126.25 1peq h ALA 444 Ca 0.22 -0.40 0.08 0.00 0.00 0.00 0.00 54.91 54.82 1peq h ALA 444 Cb 0.59 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.26 1peq h ALA 444 CO -0.04 0.39 0.47 0.28 0.00 0.00 0.00 179.25 180.34 1peq h VAL 445 N 0.36 0.96 -0.03 0.00 2.07 0.25 0.25 116.25 120.10 1peq h VAL 445 Ca 0.04 -0.22 -0.06 0.00 0.82 0.00 0.00 66.70 67.27 1peq h VAL 445 Cb 0.85 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 30.88 1peq h VAL 445 CO 0.07 0.12 -0.22 -1.28 0.02 0.00 0.00 177.57 176.28 1peq h SER 446 N 0.65 0.25 -0.87 0.57 0.87 -0.26 -2.95 113.55 111.81 1peq h SER 446 Ca 0.32 -0.68 0.12 0.00 -1.23 0.00 0.00 61.79 60.32 1peq h SER 446 Cb 0.40 -0.07 -0.06 0.00 -0.44 0.00 0.00 62.40 62.22 1peq h SER 446 CO -0.11 0.89 0.56 0.44 -0.53 0.00 0.00 176.83 178.09 1peq h ASP 447 N -0.37 0.71 -0.04 6.23 3.32 0.65 -1.57 116.42 125.35 1peq h ASP 447 Ca -0.02 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.06 1peq h ASP 447 Cb 0.90 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.33 1peq h ASP 447 CO 0.04 0.39 0.00 0.23 -1.72 0.00 0.00 179.24 178.19 1peq n MET 448 N -4.54 1.29 -3.34 3.56 2.81 0.82 -4.88 117.12 112.83 1peq n MET 448 Ca 0.16 -0.43 -0.38 0.00 -1.81 0.00 0.00 57.70 55.23 1peq n MET 448 Cb 0.38 -1.40 -0.06 0.00 -0.71 0.00 0.00 33.22 31.43 1peq n MET 448 CO 0.00 0.00 0.00 -1.12 1.51 0.00 0.00 175.97 176.36 1peq s SER 449 N -1.77 6.93 -0.44 7.83 0.01 -0.59 -5.00 113.70 120.68 1peq s SER 449 Ca 0.36 1.11 0.06 0.00 1.31 0.00 0.00 55.95 58.78 1peq s SER 449 Cb 0.18 -2.32 0.20 0.00 0.21 0.00 0.00 66.02 64.29 1peq s SER 449 CO 0.29 0.24 0.53 1.41 0.41 0.00 0.00 173.24 176.12 1peq n HIS 450 N 2.10 -1.75 -2.07 2.43 -0.00 -1.26 -4.93 115.22 109.74 1peq n HIS 450 Ca -0.11 -2.74 -0.33 0.00 -0.00 0.00 0.00 57.72 54.54 1peq n HIS 450 Cb 0.51 0.55 -0.04 0.00 -0.00 0.00 0.00 29.99 31.02 1peq n HIS 450 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.34 176.76 1peq s ILE 451 N 0.03 3.43 0.26 1.59 -1.09 -1.26 -4.83 121.20 119.32 1peq s ILE 451 Ca 0.33 -0.09 -0.00 0.00 -2.23 0.00 0.00 60.65 58.65 1peq s ILE 451 Cb 0.08 -4.03 0.07 0.00 -1.58 0.00 0.00 42.46 37.00 1peq s ILE 451 CO -0.15 -0.99 1.70 0.03 -1.23 0.00 0.00 174.94 174.30 1peq h ARG 452 N 12.94 0.61 0.00 2.79 3.08 -1.98 -3.12 114.38 128.70 1peq h ARG 452 Ca -0.08 -0.22 0.00 0.00 0.07 0.00 0.00 59.98 59.75 1peq h ARG 452 Cb 1.08 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 31.09 1peq h ARG 452 CO 1.22 0.78 0.00 0.66 -1.07 0.00 0.00 179.97 181.56 1peq h SER 453 N 0.55 0.00 -2.48 7.04 4.64 -1.95 -3.35 113.55 117.99 1peq h SER 453 Ca 0.08 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.86 1peq h SER 453 Cb 0.65 0.00 -0.38 0.00 -0.31 0.00 0.00 62.40 62.36 1peq h SER 453 CO 0.05 0.00 -0.82 -0.69 -0.87 0.00 0.00 176.83 174.50 1peq s VAL 454 N -3.71 0.04 0.35 0.95 1.01 -1.18 -4.91 120.40 112.95 1peq s VAL 454 Ca -0.02 -1.52 0.12 0.00 0.00 0.00 0.00 61.98 60.56 1peq s VAL 454 Cb 0.09 -1.03 0.34 0.00 0.00 0.00 0.00 36.38 35.78 1peq s VAL 454 CO 0.31 -0.90 1.75 -0.65 0.00 0.00 0.00 175.10 175.60 1peq h PRO 455 N 7.11 0.52 -0.24 2.72 0.11 -1.76 0.29 132.00 140.75 1peq h PRO 455 Ca 0.04 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 66.10 1peq h PRO 455 Cb 0.99 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.97 1peq h PRO 455 CO 0.26 0.35 0.05 0.66 -0.21 0.00 0.00 178.00 179.11 1peq h SER 456 N 0.54 0.31 -0.10 -2.05 4.64 -1.92 0.35 113.55 115.31 1peq h SER 456 Ca 0.62 -0.03 -0.03 0.00 -0.47 0.00 0.00 61.79 61.87 1peq h SER 456 Cb 1.28 -0.08 -0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1peq h SER 456 CO -0.40 0.33 -0.06 0.40 -0.87 0.00 0.00 176.83 176.24 1peq h ILE 457 N 0.34 1.32 -0.78 0.95 1.08 -1.22 -0.98 117.51 118.24 1peq h ILE 457 Ca 0.08 -1.09 -0.00 0.00 -0.39 0.00 0.00 64.86 63.46 1peq h ILE 457 Cb 0.15 1.83 -0.04 0.00 -3.07 0.00 0.00 36.82 35.69 1peq h ILE 457 CO -0.00 0.31 0.48 0.00 -0.69 0.00 0.00 178.15 178.25 1peq h ALA 458 N 0.64 0.99 -0.41 1.87 0.00 -1.05 -1.53 119.26 119.76 1peq h ALA 458 Ca 0.02 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1peq h ALA 458 Cb 0.52 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1peq h ALA 458 CO 0.02 0.44 0.21 0.00 0.00 0.00 0.00 179.25 179.92 1peq h ALA 459 N 1.26 0.53 -0.30 0.00 0.00 -0.33 -2.19 119.26 118.22 1peq h ALA 459 Ca 0.28 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 1peq h ALA 459 Cb -0.06 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1peq h ALA 459 CO -0.05 0.07 0.11 0.78 0.00 0.00 0.00 179.25 180.16 1peq h GLY 460 N 0.53 0.49 1.36 0.00 0.00 -0.84 0.96 103.07 105.56 1peq h GLY 460 Ca 0.14 -0.27 -0.04 0.00 0.00 0.00 0.00 47.33 47.16 1peq h GLY 460 CO -0.02 0.26 0.19 -0.57 0.00 0.00 0.00 176.54 176.40 1peq h ASN 461 N 0.33 0.75 0.52 0.19 -1.24 -1.25 -1.06 115.58 113.81 1peq h ASN 461 Ca 0.10 -0.11 -0.12 0.00 0.71 0.00 0.00 56.30 56.88 1peq h ASN 461 Cb 0.20 -0.19 -0.02 0.00 0.73 0.00 0.00 38.32 39.05 1peq h ASN 461 CO -0.01 0.70 -0.55 0.00 -1.29 0.00 0.00 177.43 176.29 1peq h ALA 462 N 1.41 1.07 0.04 1.57 0.00 -0.65 -0.78 119.26 121.91 1peq h ALA 462 Ca 0.19 -0.50 -0.25 0.00 0.00 0.00 0.00 54.91 54.35 1peq h ALA 462 Cb 0.21 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 1peq h ALA 462 CO -0.01 0.69 -1.25 0.00 0.00 0.00 0.00 179.25 178.68 1peq h ALA 463 N 1.42 0.38 0.00 0.00 0.00 -0.08 -3.40 119.26 117.59 1peq h ALA 463 Ca -0.00 -1.04 -0.27 0.00 0.00 0.00 0.00 54.91 53.59 1peq h ALA 463 Cb 0.98 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.77 1peq h ALA 463 CO 0.07 1.26 -2.10 -1.13 0.00 0.00 0.00 179.25 177.36 1peq n SER 464 N -3.33 0.96 -2.52 0.00 3.41 -0.48 -0.40 113.62 111.27 1peq n SER 464 Ca -0.07 0.00 -0.17 0.00 -0.26 0.00 0.00 58.87 58.37 1peq n SER 464 Cb 0.99 0.98 -0.00 0.00 -0.26 0.00 0.00 64.21 65.91 1peq n SER 464 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1peq n HIS 465 N -2.56 -1.31 -2.01 7.33 -0.00 -0.30 -1.08 115.22 115.28 1peq n HIS 465 Ca -0.25 0.06 -0.42 0.00 -0.00 0.00 0.00 57.72 57.12 1peq n HIS 465 Cb 0.98 -3.39 -0.02 0.00 -0.00 0.00 0.00 29.99 27.56 1peq n HIS 465 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1peq s ALA 466 N -2.84 3.65 0.25 -1.41 0.00 -1.26 -4.29 121.76 115.86 1peq s ALA 466 Ca 0.04 1.32 0.03 0.00 0.00 0.00 0.00 51.96 53.36 1peq s ALA 466 Cb -0.02 -3.57 -0.05 0.00 0.00 0.00 0.00 23.12 19.48 1peq s ALA 466 CO 0.05 -0.74 0.03 0.96 0.00 0.00 0.00 175.76 176.06 1peq s ILE 467 N 0.25 0.96 -0.43 0.00 -4.36 -0.55 -4.46 121.20 112.62 1peq s ILE 467 Ca 0.61 -2.02 0.02 0.00 -0.26 0.00 0.00 60.65 59.00 1peq s ILE 467 Cb -0.42 -2.49 0.14 0.00 1.25 0.00 0.00 42.46 40.94 1peq s ILE 467 CO 0.40 -0.20 0.25 -0.83 0.24 0.00 0.00 174.94 174.80 1peq s GLY 468 N -3.34 1.48 0.12 6.27 0.00 0.10 -3.37 107.32 108.58 1peq s GLY 468 Ca 0.32 -2.45 -0.30 0.00 0.00 0.00 0.00 44.72 42.29 1peq s GLY 468 CO 0.11 1.70 0.96 -2.27 0.00 0.00 0.00 173.10 173.61 1peq s LEU 469 N 0.44 4.51 0.00 0.66 2.96 0.13 -2.78 118.68 124.60 1peq s LEU 469 Ca 0.19 1.81 0.02 0.00 -0.22 0.00 0.00 54.13 55.93 1peq s LEU 469 Cb -0.21 -3.59 -0.01 0.00 0.50 0.00 0.00 46.19 42.88 1peq s LEU 469 CO -0.02 -0.06 0.08 0.61 -1.32 0.00 0.00 176.35 175.64 1peq n GLY 470 N 2.21 3.53 3.27 7.98 0.00 0.39 -0.72 105.19 121.85 1peq n GLY 470 Ca 0.02 -2.14 -0.15 0.00 0.00 0.00 0.00 46.02 43.75 1peq n GLY 470 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1peq s GLN 471 N -3.21 1.12 0.17 1.61 -1.52 -1.26 -2.36 119.66 114.22 1peq s GLN 471 Ca 0.11 -1.49 -0.18 0.00 -1.95 0.00 0.00 55.36 51.85 1peq s GLN 471 Cb 0.01 -0.69 0.03 0.00 -0.22 0.00 0.00 33.01 32.14 1peq s GLN 471 CO 0.08 0.07 0.51 0.00 -0.25 0.00 0.00 175.29 175.70 1peq s MET 472 N -3.74 1.30 -0.24 2.91 0.23 -0.82 -4.64 119.30 114.30 1peq s MET 472 Ca 0.19 -0.78 0.00 0.00 -1.03 0.00 0.00 55.69 54.07 1peq s MET 472 Cb 0.02 0.52 0.00 0.00 -1.53 0.00 0.00 34.83 33.84 1peq s MET 472 CO 0.02 -0.54 0.00 -1.71 -2.03 0.00 0.00 175.02 170.76 1peq n ASN 473 N -0.32 -3.82 -0.21 -1.18 5.15 0.40 -1.85 115.26 113.43 1peq n ASN 473 Ca -0.12 0.06 0.02 0.00 -0.60 0.00 0.00 54.58 53.93 1peq n ASN 473 Cb 0.63 -1.51 0.13 0.00 -0.53 0.00 0.00 39.78 38.50 1peq n ASN 473 CO 0.00 0.00 0.00 0.25 1.40 0.00 0.00 177.26 178.91 1peq h LEU 474 N 0.00 -0.06 -0.59 1.20 7.12 -1.77 0.13 115.31 121.34 1peq h LEU 474 Ca -0.05 0.13 -0.06 0.00 0.13 0.00 0.00 57.88 58.04 1peq h LEU 474 Cb 0.33 0.19 -0.02 0.00 -0.53 0.00 0.00 40.66 40.62 1peq h LEU 474 CO 0.07 -0.03 0.14 -0.74 -0.13 0.00 0.00 178.44 177.75 1peq h HIS 475 N 0.23 0.99 -0.67 1.25 2.76 -1.85 -0.24 115.15 117.62 1peq h HIS 475 Ca 0.34 -0.12 0.06 0.00 -2.20 0.00 0.00 60.37 58.46 1peq h HIS 475 Cb 0.55 -0.28 -0.06 0.00 1.55 0.00 0.00 27.41 29.17 1peq h HIS 475 CO -0.28 0.84 0.37 0.78 -1.30 0.00 0.00 177.93 178.34 1peq h GLY 476 N 0.85 0.99 0.82 5.26 0.00 -1.29 -0.57 103.07 109.12 1peq h GLY 476 Ca 0.18 -0.25 -0.03 0.00 0.00 0.00 0.00 47.33 47.23 1peq h GLY 476 CO 0.00 0.14 -0.34 -1.82 0.00 0.00 0.00 176.54 174.52 1peq h TYR 477 N 0.67 -0.87 -0.91 5.60 3.20 -0.52 -1.51 116.97 122.63 1peq h TYR 477 Ca 0.31 -0.02 0.16 0.00 3.14 0.00 0.00 58.73 62.31 1peq h TYR 477 Cb 0.22 0.29 -0.07 0.00 1.54 0.00 0.00 36.73 38.70 1peq h TYR 477 CO -0.08 -0.51 0.59 -0.07 -1.64 0.00 0.00 178.16 176.44 1peq h LEU 478 N -1.14 0.64 -0.37 2.82 3.38 -0.86 0.64 115.31 120.43 1peq h LEU 478 Ca -0.10 0.05 -0.11 0.00 0.09 0.00 0.00 57.88 57.81 1peq h LEU 478 Cb 0.75 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 1peq h LEU 478 CO 0.16 0.30 -0.19 0.00 0.09 0.00 0.00 178.44 178.80 1peq h ALA 479 N 1.60 0.51 -0.76 1.53 0.00 -1.04 0.11 119.26 121.22 1peq h ALA 479 Ca 0.47 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1peq h ALA 479 Cb 0.81 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.44 1peq h ALA 479 CO -0.22 0.46 0.42 -0.09 0.00 0.00 0.00 179.25 179.81 1peq h ARG 480 N 0.56 1.07 -0.67 0.00 2.43 0.12 0.54 114.38 118.43 1peq h ARG 480 Ca 0.08 -0.13 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 1peq h ARG 480 Cb 0.74 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 30.08 1peq h ARG 480 CO 0.06 0.79 0.00 0.39 -1.51 0.00 0.00 179.97 179.70 1peq n GLU 481 N -4.44 1.24 -1.89 0.20 -0.58 0.25 -4.88 120.64 110.54 1peq n GLU 481 Ca 0.07 -0.22 -0.18 0.00 -0.42 0.00 0.00 57.16 56.40 1peq n GLU 481 Cb 0.09 -1.39 -0.05 0.00 -0.57 0.00 0.00 31.44 29.52 1peq n GLU 481 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1peq n GLY 482 N 0.22 0.85 3.68 0.62 0.00 0.18 -5.02 105.19 105.72 1peq n GLY 482 Ca 0.02 -0.13 -0.35 0.00 0.00 0.00 0.00 46.02 45.57 1peq n GLY 482 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1peq s ILE 483 N -2.79 4.60 0.09 -0.61 1.01 0.37 -5.02 121.20 118.86 1peq s ILE 483 Ca 0.00 -0.12 -0.22 0.00 0.00 0.00 0.00 60.65 60.31 1peq s ILE 483 Cb 0.00 -3.00 -0.07 0.00 0.01 0.00 0.00 42.46 39.40 1peq s ILE 483 CO 0.00 0.55 0.66 0.00 0.00 0.00 0.00 174.94 176.15 1peq s ALA 484 N -0.35 3.51 0.33 9.38 0.00 -1.26 -3.88 121.76 129.48 1peq s ALA 484 Ca 0.08 0.17 -0.29 0.00 0.00 0.00 0.00 51.96 51.92 1peq s ALA 484 Cb -0.12 -2.80 -0.11 0.00 0.00 0.00 0.00 23.12 20.09 1peq s ALA 484 CO 0.02 0.30 1.52 -0.47 0.00 0.00 0.00 175.76 177.13 1peq s TYR 485 N -0.89 2.71 0.00 0.00 6.14 -1.26 -1.79 117.35 122.26 1peq s TYR 485 Ca 0.33 0.99 0.00 0.00 0.64 0.00 0.00 57.07 59.03 1peq s TYR 485 Cb -0.21 -4.01 0.00 0.00 0.42 0.00 0.00 41.96 38.16 1peq s TYR 485 CO 0.22 -3.19 0.00 0.41 0.64 0.00 0.00 175.55 173.63 1peq n GLY 486 N 1.37 3.07 3.62 8.97 0.00 -1.26 -5.03 105.19 115.93 1peq n GLY 486 Ca 0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 1peq n GLY 486 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1peq s SER 487 N -0.36 2.36 0.45 1.61 1.04 -0.74 -4.54 113.70 113.51 1peq s SER 487 Ca 0.00 2.03 0.14 0.00 0.48 0.00 0.00 55.95 58.60 1peq s SER 487 Cb 0.00 -2.51 1.05 0.00 0.10 0.00 0.00 66.02 64.66 1peq s SER 487 CO 0.00 -3.43 2.01 -0.65 0.98 0.00 0.00 173.24 172.15 1peq h PRO 488 N -2.09 0.35 0.36 4.02 0.11 -1.96 0.20 132.00 132.99 1peq h PRO 488 Ca -0.48 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.59 1peq h PRO 488 Cb 1.29 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1peq h PRO 488 CO 0.43 0.23 -0.17 0.93 -0.21 0.00 0.00 178.00 179.22 1peq h GLU 489 N 0.36 -0.47 -0.45 1.05 5.08 -1.90 -0.95 114.58 117.31 1peq h GLU 489 Ca 0.23 0.03 0.09 0.00 -1.00 0.00 0.00 59.36 58.72 1peq h GLU 489 Cb 0.45 0.11 -0.09 0.00 0.50 0.00 0.00 28.75 29.71 1peq h GLU 489 CO -0.06 -0.18 -0.14 0.00 -1.00 0.00 0.00 179.01 177.63 1peq h ALA 490 N -0.19 0.25 -0.82 3.43 0.00 -1.37 0.78 119.26 121.35 1peq h ALA 490 Ca -0.05 0.17 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1peq h ALA 490 Cb 0.50 0.39 -0.04 0.00 0.00 0.00 0.00 17.79 18.64 1peq h ALA 490 CO 0.08 -0.48 0.51 -0.07 0.00 0.00 0.00 179.25 179.29 1peq h LEU 491 N -0.04 0.97 -0.75 0.00 3.38 -0.65 -0.71 115.31 117.51 1peq h LEU 491 Ca 0.22 -0.05 0.04 0.00 0.09 0.00 0.00 57.88 58.18 1peq h LEU 491 Cb 0.37 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.82 1peq h LEU 491 CO -0.49 0.73 0.46 -0.78 0.09 0.00 0.00 178.44 178.46 1peq h ASP 492 N 1.12 0.74 -0.05 -0.43 3.58 0.49 -2.49 116.42 119.37 1peq h ASP 492 Ca 0.30 0.01 -0.02 0.00 0.42 0.00 0.00 57.03 57.74 1peq h ASP 492 Cb -0.07 -0.15 -0.00 0.00 1.72 0.00 0.00 39.33 40.83 1peq h ASP 492 CO -0.06 0.50 -0.03 0.15 -2.88 0.00 0.00 179.24 176.92 1peq h PHE 493 N 0.88 0.13 0.00 0.28 3.57 0.01 -2.63 116.94 119.18 1peq h PHE 493 Ca 0.31 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.78 1peq h PHE 493 Cb 0.08 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 38.79 1peq h PHE 493 CO -0.04 0.51 0.00 0.00 -2.23 0.00 0.00 178.31 176.54 1peq h THR 494 N -0.29 0.00 0.16 4.41 1.03 -1.09 0.17 112.91 117.31 1peq h THR 494 Ca 0.01 -0.16 -0.25 0.00 -0.01 0.00 0.00 66.41 66.00 1peq h THR 494 Cb 0.48 1.02 0.02 0.00 -1.07 0.00 0.00 68.15 68.60 1peq h THR 494 CO 0.01 0.00 -1.13 -1.13 -0.01 0.00 0.00 175.52 173.26 1peq h ASN 495 N 0.00 0.54 0.55 0.00 -1.24 -1.21 -3.04 115.58 111.18 1peq h ASN 495 Ca 0.00 -0.92 -0.27 0.00 0.71 0.00 0.00 56.30 55.82 1peq h ASN 495 Cb 0.18 -0.18 0.01 0.00 0.73 0.00 0.00 38.32 39.06 1peq h ASN 495 CO 0.00 1.53 -1.19 -0.07 -1.29 0.00 0.00 177.43 176.41 1peq h LEU 496 N -0.23 0.47 -0.13 0.34 3.38 -1.09 -1.86 115.31 116.20 1peq h LEU 496 Ca -0.21 -0.47 0.00 0.00 0.09 0.00 0.00 57.88 57.29 1peq h LEU 496 Cb 1.80 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 42.40 1peq h LEU 496 CO 0.16 1.34 0.08 0.22 0.09 0.00 0.00 178.44 180.34 1peq h TYR 497 N 0.11 0.16 0.00 1.13 3.20 -0.82 0.13 116.97 120.89 1peq h TYR 497 Ca -0.13 0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.71 1peq h TYR 497 Cb 1.89 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 40.10 1peq h TYR 497 CO 0.07 0.11 -0.19 0.74 -1.64 0.00 0.00 178.16 177.25 1peq h PHE 498 N 0.17 0.00 -0.16 -3.82 -1.00 -1.60 -0.97 116.94 109.56 1peq h PHE 498 Ca 0.05 0.00 -0.04 0.00 2.81 0.00 0.00 57.97 60.79 1peq h PHE 498 Cb -0.01 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.54 1peq h PHE 498 CO -0.07 0.19 -0.04 -0.92 -1.61 0.00 0.00 178.31 175.86 1peq h TYR 499 N 0.00 0.35 -0.04 -0.55 3.20 -0.49 -1.19 116.97 118.26 1peq h TYR 499 Ca -0.00 -0.08 -0.11 0.00 3.14 0.00 0.00 58.73 61.68 1peq h TYR 499 Cb 0.55 -0.09 0.01 0.00 1.54 0.00 0.00 36.73 38.74 1peq h TYR 499 CO 0.00 0.58 -0.40 1.79 -1.64 0.00 0.00 178.16 178.49 1peq h THR 500 N 0.02 1.44 -0.93 1.81 1.35 -0.28 -2.41 112.91 113.91 1peq h THR 500 Ca 0.04 -1.88 0.19 0.00 -0.55 0.00 0.00 66.41 64.22 1peq h THR 500 Cb 0.47 2.48 -0.11 0.00 -1.73 0.00 0.00 68.15 69.25 1peq h THR 500 CO 0.02 0.54 0.50 0.40 -0.25 0.00 0.00 175.52 176.73 1peq h ILE 501 N -0.18 0.63 -0.70 6.82 1.08 -1.23 0.34 117.51 124.27 1peq h ILE 501 Ca -0.04 -0.21 -0.06 0.00 -0.39 0.00 0.00 64.86 64.16 1peq h ILE 501 Cb 1.09 -0.03 -0.03 0.00 -3.07 0.00 0.00 36.82 34.79 1peq h ILE 501 CO 0.08 0.11 0.20 0.74 -0.69 0.00 0.00 178.15 178.59 1peq h THR 502 N 0.61 1.26 0.09 -0.27 2.02 -1.05 -1.71 112.91 113.86 1peq h THR 502 Ca 0.55 -0.91 0.01 0.00 0.77 0.00 0.00 66.41 66.82 1peq h THR 502 Cb 0.91 0.52 -0.01 0.00 -1.74 0.00 0.00 68.15 67.83 1peq h THR 502 CO -0.43 0.35 -0.11 -0.25 0.37 0.00 0.00 175.52 175.46 1peq h TRP 503 N 1.03 -0.29 0.00 3.16 7.01 0.18 -2.42 115.95 124.63 1peq h TRP 503 Ca 0.22 0.00 -0.06 0.00 2.11 0.00 0.00 58.89 61.17 1peq h TRP 503 Cb 0.32 0.11 -0.01 0.00 -2.10 0.00 0.00 29.16 27.49 1peq h TRP 503 CO 0.03 -0.17 -0.28 0.45 -2.79 0.00 0.00 178.44 175.67 1peq h HIS 504 N -0.24 0.00 -0.19 2.65 3.86 -1.27 -2.25 115.15 117.71 1peq h HIS 504 Ca 0.01 0.00 -0.15 0.00 -1.16 0.00 0.00 60.37 59.08 1peq h HIS 504 Cb 0.24 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.71 1peq h HIS 504 CO -0.13 0.28 -0.45 0.00 0.86 0.00 0.00 177.93 178.49 1peq h ALA 505 N 1.72 0.30 -0.38 2.45 0.00 -1.09 -1.00 119.26 121.27 1peq h ALA 505 Ca -0.00 -0.48 -0.07 0.00 0.00 0.00 0.00 54.91 54.36 1peq h ALA 505 Cb 0.53 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1peq h ALA 505 CO 0.04 0.44 -0.08 0.28 0.00 0.00 0.00 179.25 179.93 1peq h VAL 506 N 0.31 1.24 -0.21 0.00 2.07 -1.36 -1.10 116.25 117.20 1peq h VAL 506 Ca -0.00 -1.03 -0.01 0.00 0.82 0.00 0.00 66.70 66.48 1peq h VAL 506 Cb 1.06 1.04 -0.01 0.00 -1.52 0.00 0.00 31.29 31.86 1peq h VAL 506 CO 0.10 0.35 0.10 -0.74 0.02 0.00 0.00 177.57 177.40 1peq h HIS 507 N 0.59 0.30 -0.63 1.57 6.17 -1.28 -1.80 115.15 120.07 1peq h HIS 507 Ca 0.11 -0.01 0.03 0.00 0.71 0.00 0.00 60.37 61.21 1peq h HIS 507 Cb 0.49 -0.09 -0.04 0.00 2.52 0.00 0.00 27.41 30.29 1peq h HIS 507 CO 0.02 0.30 0.38 1.15 0.71 0.00 0.00 177.93 180.50 1peq h THR 508 N 0.20 1.06 -0.51 6.26 2.02 -0.96 0.13 112.91 121.10 1peq h THR 508 Ca 0.07 -0.25 -0.06 0.00 0.77 0.00 0.00 66.41 66.93 1peq h THR 508 Cb 0.12 0.25 -0.02 0.00 -1.74 0.00 0.00 68.15 66.76 1peq h THR 508 CO -0.01 0.14 0.06 -1.28 0.37 0.00 0.00 175.52 174.80 1peq h SER 509 N 0.74 0.78 -0.40 4.18 0.87 -1.11 -0.06 113.55 118.55 1peq h SER 509 Ca 0.26 -0.17 -0.06 0.00 -1.23 0.00 0.00 61.79 60.59 1peq h SER 509 Cb 0.05 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 61.79 1peq h SER 509 CO -0.12 0.81 0.02 -0.03 -0.53 0.00 0.00 176.83 176.98 1peq h MET 510 N 0.78 0.69 -0.67 2.24 -1.53 -0.77 -1.00 114.93 114.67 1peq h MET 510 Ca 0.16 -0.21 -0.00 0.00 -3.44 0.00 0.00 59.70 56.21 1peq h MET 510 Cb 0.38 -0.07 -0.03 0.00 -0.55 0.00 0.00 31.60 31.33 1peq h MET 510 CO 0.01 0.77 0.41 0.00 0.14 0.00 0.00 176.91 178.24 1peq h ARG 511 N 0.52 0.90 -0.30 0.39 3.08 -0.18 -1.42 114.38 117.38 1peq h ARG 511 Ca 0.11 -0.08 0.02 0.00 0.07 0.00 0.00 59.98 60.11 1peq h ARG 511 Cb 0.45 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.28 1peq h ARG 511 CO 0.02 0.63 0.16 -0.07 -1.07 0.00 0.00 179.97 179.64 1peq h LEU 512 N 0.91 0.24 -1.91 3.04 3.38 -0.69 0.19 115.31 120.47 1peq h LEU 512 Ca 0.24 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.21 1peq h LEU 512 Cb -0.04 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 1peq h LEU 512 CO -0.05 0.18 -0.06 0.00 0.09 0.00 0.00 178.44 178.60 1peq h ALA 513 N 1.15 1.84 0.08 1.53 0.00 -0.74 -0.56 119.26 122.55 1peq h ALA 513 Ca 0.12 -0.06 -0.16 0.00 0.00 0.00 0.00 54.91 54.82 1peq h ALA 513 Cb 0.03 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 17.83 1peq h ALA 513 CO -0.08 0.08 -0.65 -0.09 0.00 0.00 0.00 179.25 178.51 1peq h ARG 514 N 0.00 0.31 0.00 0.00 2.43 -0.15 0.10 114.38 117.06 1peq h ARG 514 Ca -0.00 -0.43 0.00 0.00 -0.81 0.00 0.00 59.98 58.74 1peq h ARG 514 Cb 0.12 0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.82 1peq h ARG 514 CO 0.01 1.16 0.00 -0.85 -1.51 0.00 0.00 179.97 178.78 1peq n GLU 515 N -4.21 0.66 0.00 0.20 0.28 0.56 -3.08 120.64 115.05 1peq n GLU 515 Ca -0.12 0.02 0.00 0.00 -0.16 0.00 0.00 57.16 56.89 1peq n GLU 515 Cb 0.73 -1.50 0.00 0.00 1.43 0.00 0.00 31.44 32.10 1peq n GLU 515 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1peq n ARG 516 N -1.13 2.40 -2.08 3.44 1.74 -0.26 -5.02 116.66 115.74 1peq n ARG 516 Ca 0.17 -0.24 -0.20 0.00 -0.77 0.00 0.00 57.85 56.81 1peq n ARG 516 Cb 0.15 -0.71 -0.04 0.00 -1.02 0.00 0.00 32.46 30.84 1peq n ARG 516 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1peq n GLY 517 N 0.41 0.44 3.28 -0.13 0.00 0.00 -4.97 105.19 104.22 1peq n GLY 517 Ca 0.00 -0.04 -0.12 0.00 0.00 0.00 0.00 46.02 45.86 1peq n GLY 517 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1peq s LYS 518 N -4.52 0.82 0.46 1.61 -2.85 -1.09 -5.05 119.74 109.12 1peq s LYS 518 Ca 0.00 -0.39 0.04 0.00 -1.00 0.00 0.00 55.97 54.62 1peq s LYS 518 Cb 0.00 0.36 -0.04 0.00 -2.06 0.00 0.00 37.83 36.09 1peq s LYS 518 CO 0.00 -0.27 0.05 0.95 0.10 0.00 0.00 175.35 176.18 1peq s THR 519 N -2.29 1.66 0.64 3.79 -4.23 -1.26 -4.41 115.64 109.54 1peq s THR 519 Ca -0.07 -1.94 -0.17 0.00 -1.18 0.00 0.00 61.69 58.33 1peq s THR 519 Cb -0.02 -2.60 -0.01 0.00 1.34 0.00 0.00 72.50 71.21 1peq s THR 519 CO -0.01 0.00 1.21 0.72 -0.54 0.00 0.00 174.62 175.99 1peq s PHE 520 N -2.77 2.30 0.36 3.99 -0.12 -1.13 -4.91 117.98 115.69 1peq s PHE 520 Ca 0.23 1.54 -0.28 0.00 -0.05 0.00 0.00 56.93 58.37 1peq s PHE 520 Cb 0.05 -3.47 -0.11 0.00 -0.63 0.00 0.00 43.02 38.87 1peq s PHE 520 CO 0.12 -2.33 1.43 0.00 -0.05 0.00 0.00 175.22 174.40 1peq s ALA 521 N -1.75 3.56 -1.09 1.99 0.00 0.47 -1.98 121.76 122.96 1peq s ALA 521 Ca 0.76 1.47 0.00 0.00 0.00 0.00 0.00 51.96 54.19 1peq s ALA 521 Cb -0.30 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.25 1peq s ALA 521 CO 0.37 -0.92 0.00 0.41 0.00 0.00 0.00 175.76 175.62 1peq n GLY 522 N 0.64 0.59 0.09 0.00 0.00 -1.26 -4.90 105.19 100.34 1peq n GLY 522 Ca 0.01 -0.46 -0.09 0.00 0.00 0.00 0.00 46.02 45.48 1peq n GLY 522 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1peq h PHE 523 N 0.00 -0.03 -1.21 1.61 3.04 -1.75 -2.74 116.94 115.86 1peq h PHE 523 Ca -0.25 0.01 0.35 0.00 3.98 0.00 0.00 57.97 62.06 1peq h PHE 523 Cb 0.97 0.04 -0.05 0.00 2.56 0.00 0.00 35.95 39.46 1peq h PHE 523 CO 0.31 -0.04 0.86 0.00 -2.02 0.00 0.00 178.31 177.43 1peq h ALA 524 N 1.15 3.10 -0.27 2.41 0.00 -1.91 1.44 119.26 125.18 1peq h ALA 524 Ca 0.08 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1peq h ALA 524 Cb 0.10 0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1peq h ALA 524 CO -0.14 -1.46 0.00 1.04 0.00 0.00 0.00 179.25 178.69 1peq n GLN 525 N -4.20 1.86 -2.46 0.00 3.00 -1.03 -4.70 117.38 109.86 1peq n GLN 525 Ca 0.26 -1.31 -0.24 0.00 -0.01 0.00 0.00 57.00 55.70 1peq n GLN 525 Cb 1.26 -1.37 0.05 0.00 0.00 0.00 0.00 30.24 30.17 1peq n GLN 525 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.06 175.52 1peq s SER 526 N -1.36 5.17 0.00 1.08 1.04 0.49 -4.26 113.70 115.87 1peq s SER 526 Ca 0.31 0.29 0.27 0.00 0.48 0.00 0.00 55.95 57.30 1peq s SER 526 Cb 0.17 -1.12 1.25 0.00 0.10 0.00 0.00 66.02 66.42 1peq s SER 526 CO 0.24 -1.28 1.90 0.54 0.98 0.00 0.00 173.24 175.61 1peq n ARG 527 N -2.59 0.17 -0.03 4.02 1.74 -0.24 -2.09 116.66 117.65 1peq n ARG 527 Ca 0.07 0.03 -0.15 0.00 -0.77 0.00 0.00 57.85 57.03 1peq n ARG 527 Cb 0.60 -1.50 -0.10 0.00 -1.02 0.00 0.00 32.46 30.43 1peq n ARG 527 CO 0.00 0.00 0.00 1.88 -1.52 0.00 0.00 177.63 177.99 1peq h TYR 528 N 0.00 0.39 -0.12 -1.55 -1.99 -1.85 -0.04 116.97 111.81 1peq h TYR 528 Ca 0.00 -0.18 0.02 0.00 2.00 0.00 0.00 58.73 60.57 1peq h TYR 528 Cb 0.38 -0.05 -0.02 0.00 2.00 0.00 0.00 36.73 39.03 1peq h TYR 528 CO 0.00 0.94 -0.02 0.00 -0.00 0.00 0.00 178.16 179.08 1peq h ALA 529 N 0.37 0.09 0.00 3.88 0.00 -1.58 -2.99 119.26 119.02 1peq h ALA 529 Ca -0.03 0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.79 1peq h ALA 529 Cb 0.99 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 1peq h ALA 529 CO 0.06 -0.48 -0.62 0.66 0.00 0.00 0.00 179.25 178.87 1peq h SER 530 N 0.01 0.00 0.00 0.00 4.64 -1.66 -3.44 113.55 113.10 1peq h SER 530 Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 1peq h SER 530 Cb 0.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 1peq h SER 530 CO -0.11 0.62 0.00 0.61 -0.87 0.00 0.00 176.83 177.08 1peq n GLY 531 N 0.34 1.81 0.35 -0.77 0.00 -1.09 -4.95 105.19 100.89 1peq n GLY 531 Ca -0.01 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.19 1peq n GLY 531 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1peq h ASP 532 N 0.00 0.00 -0.30 1.61 3.32 -1.82 -1.47 116.42 117.77 1peq h ASP 532 Ca 0.00 0.00 0.09 0.00 0.02 0.00 0.00 57.03 57.14 1peq h ASP 532 Cb 0.00 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 1peq h ASP 532 CO 0.00 0.00 0.22 0.22 -1.72 0.00 0.00 179.24 177.96 1peq h TYR 533 N 0.00 0.00 0.00 4.55 5.03 -1.33 -2.95 116.97 122.27 1peq h TYR 533 Ca 0.15 0.00 -0.02 0.00 2.58 0.00 0.00 58.73 61.45 1peq h TYR 533 Cb 0.72 0.00 -0.00 0.00 1.55 0.00 0.00 36.73 39.00 1peq h TYR 533 CO 0.00 0.00 -0.93 0.74 -1.32 0.00 0.00 178.16 176.65 1peq h PHE 534 N 0.00 0.00 -0.94 -3.82 -1.00 -1.53 -3.38 116.94 106.28 1peq h PHE 534 Ca 0.14 0.00 0.17 0.00 2.81 0.00 0.00 57.97 61.09 1peq h PHE 534 Cb 0.58 0.00 -0.17 0.00 3.61 0.00 0.00 35.95 39.98 1peq h PHE 534 CO 0.00 0.06 -0.30 2.41 -1.61 0.00 0.00 178.31 178.87 1peq n THR 535 N -2.75 -0.44 -0.22 -1.55 -1.04 -1.11 0.19 114.28 107.35 1peq n THR 535 Ca -0.00 2.18 0.00 0.00 -2.04 0.00 0.00 64.05 64.18 1peq n THR 535 Cb 0.58 -2.94 0.08 0.00 -1.82 0.00 0.00 70.33 66.22 1peq n THR 535 CO 0.00 0.00 0.00 -0.61 -0.64 0.00 0.00 175.07 173.82 1peq h GLN 536 N 0.00 0.01 0.00 -2.82 4.15 -1.78 0.25 115.11 114.93 1peq h GLN 536 Ca 0.39 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.81 1peq h GLN 536 Cb 0.62 -0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.31 1peq h GLN 536 CO -0.95 0.01 0.00 0.66 -1.93 0.00 0.00 178.83 176.62 1peq n TYR 537 N -5.43 0.38 0.15 3.99 4.01 0.51 -3.17 117.16 117.60 1peq n TYR 537 Ca 0.08 0.12 0.04 0.00 -0.16 0.00 0.00 57.90 57.98 1peq n TYR 537 Cb 0.35 -0.69 0.04 0.00 -0.31 0.00 0.00 39.34 38.73 1peq n TYR 537 CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 1peq h LEU 538 N 0.00 0.00 0.00 7.72 3.38 0.95 -3.46 115.31 123.90 1peq h LEU 538 Ca 0.00 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.63 1peq h LEU 538 Cb 0.54 0.00 0.15 0.00 0.09 0.00 0.00 40.66 41.44 1peq h LEU 538 CO 0.00 0.41 0.26 0.00 0.09 0.00 0.00 178.44 179.20 1peq n GLN 539 N -3.17 -1.63 -0.04 1.13 3.00 -1.15 -5.03 117.38 110.48 1peq n GLN 539 Ca 0.02 -1.61 0.00 0.00 -0.01 0.00 0.00 57.00 55.40 1peq n GLN 539 Cb 0.70 -1.20 0.00 0.00 0.00 0.00 0.00 30.24 29.74 1peq n GLN 539 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.06 173.59 1peq n ASP 540 N -3.98 0.00 -0.03 1.08 4.64 -1.26 -4.81 116.55 112.19 1peq n ASP 540 Ca 0.13 -0.07 0.00 0.00 -1.38 0.00 0.00 54.79 53.47 1peq n ASP 540 Cb 0.48 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.56 1peq n ASP 540 CO 0.00 0.00 0.00 -0.67 -0.82 0.00 0.00 177.20 175.71 1peq n ASP 541 N -0.22 -0.31 -1.53 1.67 2.03 -1.26 -5.01 116.55 111.91 1peq n ASP 541 Ca 0.00 0.00 0.08 0.00 0.52 0.00 0.00 54.79 55.39 1peq n ASP 541 Cb 0.00 -0.13 0.35 0.00 -0.72 0.00 0.00 41.12 40.63 1peq n ASP 541 CO 0.00 0.00 0.00 0.79 -1.92 0.00 0.00 177.20 176.07 1peq n TRP 542 N -1.46 1.64 -3.50 -0.67 7.02 -1.26 -4.88 117.44 114.32 1peq n TRP 542 Ca 0.00 -0.75 -0.37 0.00 -1.02 0.00 0.00 57.50 55.36 1peq n TRP 542 Cb 0.13 -0.41 -0.07 0.00 -2.42 0.00 0.00 31.31 28.54 1peq n TRP 542 CO 0.00 0.00 0.00 -0.65 -2.02 0.00 0.00 177.69 175.02 1peq s GLN 543 N -2.60 4.22 -0.30 -0.99 -1.52 -1.26 -4.99 119.66 112.22 1peq s GLN 543 Ca 0.50 0.10 -0.40 0.00 -1.95 0.00 0.00 55.36 53.61 1peq s GLN 543 Cb 0.38 -3.47 -0.15 0.00 -0.22 0.00 0.00 33.01 29.55 1peq s GLN 543 CO 0.15 0.15 1.81 -2.30 -0.25 0.00 0.00 175.29 174.85 1peq n PRO 544 N 3.88 1.10 0.06 2.91 -0.02 -1.26 -4.82 135.00 136.85 1peq n PRO 544 Ca -0.11 0.39 -0.04 0.00 -2.02 0.00 0.00 63.50 61.73 1peq n PRO 544 Cb 0.52 -2.12 0.19 0.00 -0.02 0.00 0.00 33.50 32.07 1peq n PRO 544 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1peq h LYS 545 N 7.81 0.33 -6.21 -0.52 1.57 -1.93 -3.45 116.57 114.17 1peq h LYS 545 Ca -0.43 -0.16 -0.51 0.00 -1.87 0.00 0.00 60.65 57.68 1peq h LYS 545 Cb 1.32 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.62 1peq h LYS 545 CO 0.97 0.69 -0.37 0.99 -0.57 0.00 0.00 179.45 181.17 1peq s THR 546 N -4.17 5.23 0.03 -0.16 2.01 -1.26 -5.02 115.64 112.30 1peq s THR 546 Ca -0.05 -0.60 0.05 0.00 0.31 0.00 0.00 61.69 61.40 1peq s THR 546 Cb 0.13 -3.78 -0.24 0.00 0.01 0.00 0.00 72.50 68.62 1peq s THR 546 CO 0.79 -0.24 0.93 0.00 -0.69 0.00 0.00 174.62 175.40 1peq h ALA 547 N 1.67 0.47 -0.44 7.40 0.00 -2.00 -3.16 119.26 123.19 1peq h ALA 547 Ca -0.49 -1.17 -0.08 0.00 0.00 0.00 0.00 54.91 53.17 1peq h ALA 547 Cb 1.20 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 19.19 1peq h ALA 547 CO 0.66 1.33 -0.04 -0.22 0.00 0.00 0.00 179.25 180.98 1peq h LYS 548 N 0.02 0.81 -0.31 0.00 3.64 -1.98 -2.14 116.57 116.61 1peq h LYS 548 Ca -0.18 -0.28 -0.03 0.00 -1.27 0.00 0.00 60.65 58.89 1peq h LYS 548 Cb 1.93 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 33.67 1peq h LYS 548 CO 0.12 0.89 0.06 0.28 -2.27 0.00 0.00 179.45 178.53 1peq h VAL 549 N 0.65 1.16 -0.22 2.00 2.07 -1.92 0.16 116.25 120.15 1peq h VAL 549 Ca 0.12 -0.57 -0.11 0.00 0.82 0.00 0.00 66.70 66.96 1peq h VAL 549 Cb 0.55 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 31.16 1peq h VAL 549 CO 0.03 0.20 -0.34 -0.09 0.02 0.00 0.00 177.57 177.39 1peq h ARG 550 N 0.45 0.46 -0.17 1.57 2.43 -1.48 -2.83 114.38 114.81 1peq h ARG 550 Ca 0.11 -0.21 -0.13 0.00 -0.81 0.00 0.00 59.98 58.94 1peq h ARG 550 Cb 0.21 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.73 1peq h ARG 550 CO -0.00 0.75 -0.47 0.00 -1.51 0.00 0.00 179.97 178.74 1peq h ALA 551 N 1.24 0.87 -0.07 2.80 0.00 -0.11 -2.57 119.26 121.42 1peq h ALA 551 Ca 0.05 -0.46 -0.03 0.00 0.00 0.00 0.00 54.91 54.46 1peq h ALA 551 Cb 0.78 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 1peq h ALA 551 CO 0.06 0.65 -0.08 -0.07 0.00 0.00 0.00 179.25 179.82 1peq h LEU 552 N 0.36 0.20 -1.11 0.00 3.38 -0.76 -0.43 115.31 116.95 1peq h LEU 552 Ca 0.02 -0.50 -0.01 0.00 0.09 0.00 0.00 57.88 57.48 1peq h LEU 552 Cb 0.95 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.61 1peq h LEU 552 CO 0.08 0.66 0.40 -0.26 0.09 0.00 0.00 178.44 179.41 1peq h PHE 553 N -0.26 1.00 -0.29 1.13 -1.00 -1.53 -2.74 116.94 113.26 1peq h PHE 553 Ca 0.01 -0.02 -0.14 0.00 2.81 0.00 0.00 57.97 60.63 1peq h PHE 553 Cb 0.60 -0.32 -0.00 0.00 3.61 0.00 0.00 35.95 39.84 1peq h PHE 553 CO 0.09 0.69 -0.36 0.00 -1.61 0.00 0.00 178.31 177.13 1peq h ALA 554 N 1.41 0.43 0.00 2.45 0.00 -1.34 -1.30 119.26 120.91 1peq h ALA 554 Ca 0.26 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1peq h ALA 554 Cb 0.03 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1peq h ALA 554 CO -0.04 0.51 0.00 -2.13 0.00 0.00 0.00 179.25 177.59 1peq n ARG 555 N -4.19 0.16 -0.00 0.00 0.63 -0.18 -2.26 116.66 110.82 1peq n ARG 555 Ca -0.04 0.17 0.05 0.00 -0.92 0.00 0.00 57.85 57.11 1peq n ARG 555 Cb 0.52 -1.50 -0.07 0.00 0.45 0.00 0.00 32.46 31.86 1peq n ARG 555 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 1peq n SER 556 N -1.33 1.62 0.00 6.15 7.64 -0.91 -4.99 113.62 121.80 1peq n SER 556 Ca 0.06 -0.35 0.00 0.00 1.01 0.00 0.00 58.87 59.59 1peq n SER 556 Cb 0.12 1.25 0.00 0.00 -1.01 0.00 0.00 64.21 64.58 1peq n SER 556 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1peq n GLY 557 N 1.60 0.62 3.72 0.23 0.00 -0.59 -3.99 105.19 106.76 1peq n GLY 557 Ca -0.00 -0.17 -0.39 0.00 0.00 0.00 0.00 46.02 45.46 1peq n GLY 557 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1peq s ILE 558 N -2.00 5.11 -0.24 -0.61 1.01 -0.60 -4.96 121.20 118.91 1peq s ILE 558 Ca 0.00 1.22 -0.15 0.00 0.00 0.00 0.00 60.65 61.72 1peq s ILE 558 Cb 0.00 -3.94 -0.04 0.00 0.01 0.00 0.00 42.46 38.49 1peq s ILE 558 CO 0.00 0.27 0.35 -0.89 0.00 0.00 0.00 174.94 174.67 1peq s THR 559 N 0.79 5.21 0.03 2.92 2.01 -1.26 -4.46 115.64 120.89 1peq s THR 559 Ca 0.32 0.56 -0.30 0.00 0.31 0.00 0.00 61.69 62.57 1peq s THR 559 Cb -0.16 -3.68 -0.07 0.00 0.01 0.00 0.00 72.50 68.60 1peq s THR 559 CO 0.14 0.22 1.47 -0.76 -0.69 0.00 0.00 174.62 175.00 1peq s LEU 560 N 1.67 4.34 0.19 4.42 1.02 -1.26 -4.91 118.68 124.14 1peq s LEU 560 Ca 0.15 2.25 -0.32 0.00 0.02 0.00 0.00 54.13 56.23 1peq s LEU 560 Cb -0.15 -3.56 -0.16 0.00 0.02 0.00 0.00 46.19 42.34 1peq s LEU 560 CO 0.09 -0.76 1.12 -2.65 0.02 0.00 0.00 176.35 174.16 1peq n PRO 561 N 5.27 1.14 -4.05 1.29 -0.02 -1.26 -4.96 135.00 132.40 1peq n PRO 561 Ca 0.14 0.40 -0.23 0.00 -2.02 0.00 0.00 63.50 61.80 1peq n PRO 561 Cb 0.43 -1.87 -0.04 0.00 -0.02 0.00 0.00 33.50 32.00 1peq n PRO 561 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1peq s THR 562 N -0.35 4.80 0.52 3.45 -4.23 -1.26 -4.96 115.64 113.62 1peq s THR 562 Ca 0.71 -1.16 0.32 0.00 -1.18 0.00 0.00 61.69 60.38 1peq s THR 562 Cb -0.84 -3.57 0.50 0.00 1.34 0.00 0.00 72.50 69.94 1peq s THR 562 CO 0.54 -0.29 1.83 -0.09 -0.54 0.00 0.00 174.62 176.07 1peq h ARG 563 N 1.56 0.06 -0.20 3.99 2.43 -1.93 0.24 114.38 120.53 1peq h ARG 563 Ca -0.50 -0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 58.65 1peq h ARG 563 Cb 1.23 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.76 1peq h ARG 563 CO 0.62 0.04 0.04 0.93 -1.51 0.00 0.00 179.97 180.08 1peq h GLU 564 N 0.06 0.34 -0.29 0.20 3.07 -1.98 0.12 114.58 116.10 1peq h GLU 564 Ca 0.51 -0.09 0.02 0.00 -0.50 0.00 0.00 59.36 59.31 1peq h GLU 564 Cb 1.94 -0.04 -0.03 0.00 -0.84 0.00 0.00 28.75 29.78 1peq h GLU 564 CO -0.05 0.49 0.12 0.52 -1.40 0.00 0.00 179.01 178.69 1peq h MET 565 N 0.14 0.26 -0.36 2.33 2.86 -0.92 0.45 114.93 119.69 1peq h MET 565 Ca 0.06 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.68 1peq h MET 565 Cb 0.31 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.89 1peq h MET 565 CO 0.00 0.17 0.18 -1.49 1.06 0.00 0.00 176.91 176.84 1peq h TRP 566 N 0.27 0.52 -0.75 -0.22 4.06 -1.22 0.17 115.95 118.78 1peq h TRP 566 Ca 0.12 -0.02 0.00 0.00 2.06 0.00 0.00 58.89 61.05 1peq h TRP 566 Cb 0.06 -0.16 -0.04 0.00 -1.00 0.00 0.00 29.16 28.03 1peq h TRP 566 CO -0.11 0.43 0.47 1.25 -3.56 0.00 0.00 178.44 176.92 1peq h LEU 567 N 0.45 0.88 -0.24 -4.49 5.85 -0.27 0.96 115.31 118.44 1peq h LEU 567 Ca 0.13 -0.04 -0.12 0.00 0.84 0.00 0.00 57.88 58.69 1peq h LEU 567 Cb 0.10 -0.22 -0.00 0.00 0.37 0.00 0.00 40.66 40.91 1peq h LEU 567 CO -0.02 0.65 -0.31 0.50 -0.34 0.00 0.00 178.44 178.92 1peq h LYS 568 N 1.02 0.63 -0.19 1.25 1.63 0.70 -3.01 116.57 118.61 1peq h LYS 568 Ca 0.27 -0.36 -0.05 0.00 -0.85 0.00 0.00 60.65 59.66 1peq h LYS 568 Cb -0.08 0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 31.56 1peq h LYS 568 CO -0.06 0.97 -0.10 1.25 -3.45 0.00 0.00 179.45 178.07 1peq h LEU 569 N 0.34 0.28 -0.75 5.20 5.85 -0.08 -1.31 115.31 124.84 1peq h LEU 569 Ca 0.03 -0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.69 1peq h LEU 569 Cb 0.89 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.81 1peq h LEU 569 CO 0.07 0.42 0.46 -0.09 -0.34 0.00 0.00 178.44 178.96 1peq h ARG 570 N 0.28 1.00 -0.21 1.25 2.43 -0.77 0.66 114.38 119.04 1peq h ARG 570 Ca 0.06 -0.08 -0.12 0.00 -0.81 0.00 0.00 59.98 59.03 1peq h ARG 570 Cb 0.36 -0.21 -0.00 0.00 -0.42 0.00 0.00 29.97 29.70 1peq h ARG 570 CO 0.02 0.70 -0.33 -0.44 -1.51 0.00 0.00 179.97 178.41 1peq h ASP 571 N 1.02 0.64 -0.36 -3.80 3.32 -1.22 -0.71 116.42 115.31 1peq h ASP 571 Ca 0.27 -0.52 0.00 0.00 0.02 0.00 0.00 57.03 56.80 1peq h ASP 571 Cb -0.06 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.29 1peq h ASP 571 CO -0.05 1.04 0.24 0.44 -1.72 0.00 0.00 179.24 179.19 1peq h ASP 572 N 0.26 0.42 -0.53 6.45 3.45 -0.98 -0.54 116.42 124.94 1peq h ASP 572 Ca 0.02 -0.02 -0.02 0.00 0.43 0.00 0.00 57.03 57.44 1peq h ASP 572 Cb 0.91 -0.10 -0.02 0.00 -0.56 0.00 0.00 39.33 39.55 1peq h ASP 572 CO 0.07 0.31 0.24 0.58 -1.57 0.00 0.00 179.24 178.87 1peq h VAL 573 N 0.48 1.21 0.00 -1.35 2.07 0.52 0.42 116.25 119.60 1peq h VAL 573 Ca 0.13 -0.61 -0.05 0.00 0.82 0.00 0.00 66.70 67.00 1peq h VAL 573 Cb -0.05 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 30.34 1peq h VAL 573 CO -0.03 0.24 -0.22 0.24 0.02 0.00 0.00 177.57 177.82 1peq h MET 574 N 0.71 0.00 0.03 1.57 2.86 -0.90 0.53 114.93 119.74 1peq h MET 574 Ca 0.18 0.00 -0.32 0.00 -2.06 0.00 0.00 59.70 57.50 1peq h MET 574 Cb 0.15 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 31.77 1peq h MET 574 CO -0.02 0.22 -1.78 -2.13 1.06 0.00 0.00 176.91 174.26 1peq n ARG 575 N -4.12 0.62 0.00 1.72 0.63 -0.23 -4.56 116.66 110.72 1peq n ARG 575 Ca -0.02 0.41 0.11 0.00 -0.92 0.00 0.00 57.85 57.43 1peq n ARG 575 Cb 0.28 -1.67 -0.13 0.00 0.45 0.00 0.00 32.46 31.39 1peq n ARG 575 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 1peq n TYR 576 N -4.08 0.08 -0.96 -0.14 4.02 0.14 -5.09 117.16 111.13 1peq n TYR 576 Ca -0.38 0.02 0.03 0.00 -0.01 0.00 0.00 57.90 57.57 1peq n TYR 576 Cb 0.83 -0.39 -0.01 0.00 -0.02 0.00 0.00 39.34 39.75 1peq n TYR 576 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1peq n GLY 577 N 1.33 -2.15 3.36 2.72 0.00 0.19 -4.60 105.19 106.04 1peq n GLY 577 Ca -0.01 -1.45 -0.22 0.00 0.00 0.00 0.00 46.02 44.34 1peq n GLY 577 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1peq s ILE 578 N -1.01 1.97 -0.01 -0.61 -4.36 -1.26 -4.24 121.20 111.67 1peq s ILE 578 Ca 0.00 -2.03 -0.19 0.00 -0.26 0.00 0.00 60.65 58.17 1peq s ILE 578 Cb 0.00 -1.96 -0.34 0.00 1.25 0.00 0.00 42.46 41.41 1peq s ILE 578 CO 0.00 -0.33 0.94 0.22 0.24 0.00 0.00 174.94 176.01 1peq h TYR 579 N 3.05 0.76 -3.28 1.37 3.20 -1.48 -3.00 116.97 117.59 1peq h TYR 579 Ca -0.42 -0.55 -0.58 0.00 3.14 0.00 0.00 58.73 60.32 1peq h TYR 579 Cb 1.21 -0.03 -0.08 0.00 1.54 0.00 0.00 36.73 39.38 1peq h TYR 579 CO 0.70 1.43 -0.17 -0.80 -1.64 0.00 0.00 178.16 177.68 1peq s ASN 580 N -7.26 6.67 0.55 -2.11 0.01 -1.26 -3.19 114.94 108.34 1peq s ASN 580 Ca -0.12 0.79 0.32 0.00 -0.71 0.00 0.00 52.86 53.15 1peq s ASN 580 Cb 0.02 -2.27 1.58 0.00 0.41 0.00 0.00 41.25 40.99 1peq s ASN 580 CO 0.89 0.06 2.09 -0.61 -1.51 0.00 0.00 177.10 178.01 1peq h GLN 581 N 6.44 0.00 -2.74 -0.60 4.15 -1.29 -3.44 115.11 117.64 1peq h GLN 581 Ca -0.42 0.00 -0.12 0.00 0.77 0.00 0.00 58.65 58.88 1peq h GLN 581 Cb 1.18 0.00 -0.23 0.00 0.21 0.00 0.00 27.48 28.64 1peq h GLN 581 CO 0.74 0.08 -0.22 -0.80 -1.93 0.00 0.00 178.83 176.69 1peq s ASN 582 N -5.85 -0.41 -0.03 -0.69 0.01 -1.26 -4.94 114.94 101.76 1peq s ASN 582 Ca -0.02 0.75 -0.01 0.00 -0.71 0.00 0.00 52.86 52.87 1peq s ASN 582 Cb 0.12 0.78 -0.02 0.00 0.41 0.00 0.00 41.25 42.54 1peq s ASN 582 CO 0.54 -0.20 -0.04 0.18 -1.51 0.00 0.00 177.10 176.08 1peq n LEU 583 N 2.60 1.52 -4.74 0.60 7.99 -1.22 -1.49 117.00 122.28 1peq n LEU 583 Ca -0.14 0.01 -0.27 0.00 -0.01 0.00 0.00 56.01 55.61 1peq n LEU 583 Cb 0.57 -0.11 -0.06 0.00 -0.11 0.00 0.00 43.42 43.70 1peq n LEU 583 CO 0.14 0.30 -0.27 -1.10 -1.51 0.00 0.00 177.39 174.95 1peq s GLN 584 N -2.07 2.68 -0.29 3.23 -0.21 -1.26 0.21 119.66 121.95 1peq s GLN 584 Ca -0.05 -0.96 -0.16 0.00 0.02 0.00 0.00 55.36 54.21 1peq s GLN 584 Cb 0.02 -2.53 0.16 0.00 1.00 0.00 0.00 33.01 31.66 1peq s GLN 584 CO 0.07 0.48 1.03 0.00 -2.12 0.00 0.00 175.29 174.75 1peq s ALA 585 N -1.72 -2.50 -0.68 6.09 0.00 0.10 -2.80 121.76 120.26 1peq s ALA 585 Ca 0.29 2.11 -0.01 0.00 0.00 0.00 0.00 51.96 54.36 1peq s ALA 585 Cb -0.10 -1.87 0.17 0.00 0.00 0.00 0.00 23.12 21.32 1peq s ALA 585 CO 0.21 -0.55 0.49 0.08 0.00 0.00 0.00 175.76 176.00 1peq s VAL 586 N 1.65 3.62 0.87 0.00 1.01 0.15 -3.35 120.40 124.36 1peq s VAL 586 Ca -0.07 -3.34 -0.13 0.00 0.00 0.00 0.00 61.98 58.45 1peq s VAL 586 Cb -0.04 -3.35 0.14 0.00 0.00 0.00 0.00 36.38 33.13 1peq s VAL 586 CO -0.15 -0.92 1.22 -2.16 0.00 0.00 0.00 175.10 173.09 1peq s PRO 587 N -0.51 1.30 0.35 2.72 0.04 -1.26 -1.81 135.00 135.83 1peq s PRO 587 Ca 0.20 -0.27 -0.26 0.00 0.04 0.00 0.00 61.00 60.71 1peq s PRO 587 Cb -0.17 -1.95 -0.09 0.00 0.04 0.00 0.00 34.50 32.33 1peq s PRO 587 CO -0.06 -1.96 1.02 -1.25 0.04 0.00 0.00 177.00 174.79 1peq s PRO 588 N -5.67 4.40 -0.30 0.56 0.04 -1.26 -4.78 135.00 127.98 1peq s PRO 588 Ca 0.68 1.51 -0.17 0.00 0.04 0.00 0.00 61.00 63.06 1peq s PRO 588 Cb -0.07 -2.76 -0.02 0.00 0.04 0.00 0.00 34.50 31.69 1peq s PRO 588 CO 0.50 0.07 0.49 0.95 0.04 0.00 0.00 177.00 179.05 1peq s THR 589 N -1.54 5.06 0.00 1.26 -4.23 -1.26 -5.03 115.64 109.90 1peq s THR 589 Ca 0.52 0.57 0.00 0.00 -1.18 0.00 0.00 61.69 61.61 1peq s THR 589 Cb -0.23 -3.87 0.00 0.00 1.34 0.00 0.00 72.50 69.74 1peq s THR 589 CO 0.29 -0.04 0.00 0.61 -0.54 0.00 0.00 174.62 174.94 1peq n GLY 590 N 4.63 -1.32 0.05 3.99 0.00 -1.26 -4.49 105.19 106.79 1peq n GLY 590 Ca -0.05 -0.19 0.13 0.00 0.00 0.00 0.00 46.02 45.91 1peq n GLY 590 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1peq n SER 591 N 0.00 0.41 0.31 1.61 7.64 -1.26 -2.48 113.62 119.84 1peq n SER 591 Ca 0.00 0.50 0.18 0.00 1.01 0.00 0.00 58.87 60.56 1peq n SER 591 Cb 0.00 -0.59 1.00 0.00 -1.01 0.00 0.00 64.21 63.61 1peq n SER 591 CO 0.00 0.00 0.00 0.16 -3.01 0.00 0.00 175.04 172.19 1peq h ILE 592 N 0.00 0.32 0.15 0.44 3.07 -1.98 -1.07 117.51 118.43 1peq h ILE 592 Ca 0.00 -0.08 0.01 0.00 1.55 0.00 0.00 64.86 66.34 1peq h ILE 592 Cb 0.62 1.06 -0.02 0.00 -0.27 0.00 0.00 36.82 38.20 1peq h ILE 592 CO 0.00 0.01 -0.20 0.28 -1.05 0.00 0.00 178.15 177.20 1peq h SER 593 N 0.00 -0.54 -0.61 2.16 0.02 -1.71 -0.42 113.55 112.44 1peq h SER 593 Ca -0.00 0.06 0.11 0.00 -0.84 0.00 0.00 61.79 61.12 1peq h SER 593 Cb 0.06 0.20 -0.04 0.00 0.14 0.00 0.00 62.40 62.76 1peq h SER 593 CO 0.00 -0.29 0.41 1.88 -1.14 0.00 0.00 176.83 177.70 1peq h TYR 594 N -0.40 0.40 0.22 3.45 0.99 -1.40 0.30 116.97 120.52 1peq h TYR 594 Ca 0.02 0.01 -0.01 0.00 2.00 0.00 0.00 58.73 60.75 1peq h TYR 594 Cb 0.40 -0.13 0.00 0.00 1.00 0.00 0.00 36.73 38.00 1peq h TYR 594 CO -0.17 0.18 -0.10 0.82 -0.00 0.00 0.00 178.16 178.88 1peq h ILE 595 N 0.37 0.70 0.00 -2.88 2.04 -1.32 -3.10 117.51 113.32 1peq h ILE 595 Ca 0.29 -0.98 0.00 0.00 1.00 0.00 0.00 64.86 65.17 1peq h ILE 595 Cb 0.63 1.15 0.00 0.00 -0.74 0.00 0.00 36.82 37.86 1peq h ILE 595 CO -0.08 0.17 0.00 -1.13 0.00 0.00 0.00 178.15 177.12 1peq h ASN 596 N -0.89 0.00 -5.14 1.72 -0.73 -0.85 -3.47 115.58 106.22 1peq h ASN 596 Ca -0.03 0.00 -0.23 0.00 1.87 0.00 0.00 56.30 57.91 1peq h ASN 596 Cb 0.51 0.00 0.17 0.00 0.27 0.00 0.00 38.32 39.26 1peq h ASN 596 CO 0.05 0.00 -0.73 1.57 -0.37 0.00 0.00 177.43 177.95 1peq n HIS 597 N -2.35 -2.10 -4.29 0.67 -0.00 0.10 -5.02 115.22 102.23 1peq n HIS 597 Ca 0.00 0.76 -0.19 0.00 -0.00 0.00 0.00 57.72 58.30 1peq n HIS 597 Cb 0.16 -4.09 -0.11 0.00 -0.00 0.00 0.00 29.99 25.95 1peq n HIS 597 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1peq s ALA 598 N -3.33 1.77 -0.12 1.57 0.00 -0.95 -4.77 121.76 115.92 1peq s ALA 598 Ca 0.31 -1.44 -0.29 0.00 0.00 0.00 0.00 51.96 50.53 1peq s ALA 598 Cb -0.04 -0.11 -0.01 0.00 0.00 0.00 0.00 23.12 22.96 1peq s ALA 598 CO 0.64 0.13 1.12 0.95 0.00 0.00 0.00 175.76 178.60 1peq s THR 599 N -2.33 4.51 0.00 0.00 -4.23 -1.26 -4.66 115.64 107.67 1peq s THR 599 Ca 0.14 1.81 0.00 0.00 -1.18 0.00 0.00 61.69 62.46 1peq s THR 599 Cb -0.04 -4.16 0.00 0.00 1.34 0.00 0.00 72.50 69.64 1peq s THR 599 CO 0.05 -0.06 0.00 -0.24 -0.54 0.00 0.00 174.62 173.83 1peq n SER 600 N 5.58 0.00 0.00 3.99 2.88 -1.26 -0.45 113.62 124.36 1peq n SER 600 Ca 0.11 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.65 1peq n SER 600 Cb 0.47 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.93 1peq n SER 600 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1peq n SER 601 N 0.00 0.00 -0.04 -3.46 2.88 -1.26 -3.75 113.62 107.99 1peq n SER 601 Ca 0.00 0.00 0.02 0.00 -1.33 0.00 0.00 58.87 57.56 1peq n SER 601 Cb 0.00 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 63.49 1peq n SER 601 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 1peq n ILE 602 N 0.00 1.01 -3.79 2.46 -5.35 -1.26 -2.37 119.36 110.05 1peq n ILE 602 Ca 0.00 -1.09 -0.20 0.00 -0.27 0.00 0.00 62.75 61.19 1peq n ILE 602 Cb 0.00 0.40 -0.02 0.00 -1.74 0.00 0.00 39.64 38.28 1peq n ILE 602 CO 0.00 0.00 0.00 -1.38 -1.76 0.00 0.00 176.55 173.41 1peq s HIS 603 N -1.23 3.18 0.92 4.28 -3.43 -1.26 -4.73 115.29 113.02 1peq s HIS 603 Ca 0.07 -0.16 -0.11 0.00 -0.80 0.00 0.00 55.06 54.07 1peq s HIS 603 Cb 0.06 -1.73 0.15 0.00 -1.43 0.00 0.00 32.58 29.63 1peq s HIS 603 CO 0.01 0.25 1.10 -2.14 -2.00 0.00 0.00 174.74 171.96 1peq s PRO 604 N -4.03 1.00 0.37 -0.38 0.02 -1.26 -4.63 135.00 126.09 1peq s PRO 604 Ca 0.39 1.20 -0.28 0.00 0.02 0.00 0.00 61.00 62.33 1peq s PRO 604 Cb -0.08 -1.75 -0.10 0.00 0.02 0.00 0.00 34.50 32.58 1peq s PRO 604 CO 0.29 -2.53 1.37 0.96 -0.33 0.00 0.00 177.00 176.76 1peq s ILE 605 N -2.73 2.44 -0.70 2.83 -4.36 -1.26 -4.44 121.20 112.99 1peq s ILE 605 Ca 0.65 0.43 0.25 0.00 -0.26 0.00 0.00 60.65 61.73 1peq s ILE 605 Cb -0.21 -3.27 0.27 0.00 1.25 0.00 0.00 42.46 40.50 1peq s ILE 605 CO 0.58 0.10 1.76 1.33 0.24 0.00 0.00 174.94 178.95 1peq n VAL 606 N 0.52 0.62 -3.61 8.37 0.24 -1.26 -0.73 118.33 122.48 1peq n VAL 606 Ca 0.01 -0.10 -0.05 0.00 -2.04 0.00 0.00 64.34 62.16 1peq n VAL 606 Cb 0.41 -0.75 -0.02 0.00 -1.47 0.00 0.00 33.84 32.02 1peq n VAL 606 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1peq s ALA 607 N -3.15 -1.87 -0.08 2.33 0.00 -1.26 -4.70 121.76 113.03 1peq s ALA 607 Ca 0.09 0.81 -0.23 0.00 0.00 0.00 0.00 51.96 52.63 1peq s ALA 607 Cb 0.12 0.38 -0.19 0.00 0.00 0.00 0.00 23.12 23.43 1peq s ALA 607 CO 0.52 -0.82 0.85 0.87 0.00 0.00 0.00 175.76 177.18 1peq h LYS 608 N 2.00 -0.07 -3.78 0.00 1.57 -1.89 -3.39 116.57 111.01 1peq h LYS 608 Ca -0.22 0.00 -0.67 0.00 -1.87 0.00 0.00 60.65 57.90 1peq h LYS 608 Cb 1.22 0.02 -0.38 0.00 0.08 0.00 0.00 32.23 33.16 1peq h LYS 608 CO 0.28 0.54 -0.55 0.42 -0.57 0.00 0.00 179.45 179.57 1peq s ILE 609 N -3.03 3.00 0.21 1.86 -1.09 -1.26 -2.69 121.20 118.20 1peq s ILE 609 Ca -0.15 -2.91 -0.31 0.00 -2.23 0.00 0.00 60.65 55.05 1peq s ILE 609 Cb -0.01 -3.04 -0.11 0.00 -1.58 0.00 0.00 42.46 37.73 1peq s ILE 609 CO 0.56 -0.78 1.57 -0.70 -1.23 0.00 0.00 174.94 174.36 1peq s GLU 610 N 0.13 4.19 -0.16 2.79 2.12 -0.72 -4.77 118.70 122.28 1peq s GLU 610 Ca 0.15 2.43 -0.06 0.00 0.36 0.00 0.00 54.97 57.85 1peq s GLU 610 Cb -0.23 -3.11 -0.04 0.00 0.26 0.00 0.00 34.13 31.02 1peq s GLU 610 CO -0.03 -0.60 0.02 0.42 -0.54 0.00 0.00 175.26 174.54 1peq s ILE 611 N 0.73 4.45 -0.01 -3.70 1.01 -1.26 -1.46 121.20 120.96 1peq s ILE 611 Ca 0.68 -0.16 0.08 0.00 0.00 0.00 0.00 60.65 61.24 1peq s ILE 611 Cb -0.45 -2.97 -0.02 0.00 0.01 0.00 0.00 42.46 39.02 1peq s ILE 611 CO 0.36 0.49 -0.25 -0.13 0.00 0.00 0.00 174.94 175.42 1peq s ARG 612 N 0.21 1.98 -1.15 2.79 1.81 -0.47 -4.98 118.95 119.13 1peq s ARG 612 Ca 0.02 -0.91 -0.12 0.00 -1.72 0.00 0.00 55.73 53.00 1peq s ARG 612 Cb -0.13 -1.94 0.21 0.00 -0.45 0.00 0.00 34.95 32.65 1peq s ARG 612 CO 0.01 0.53 1.28 0.15 -0.68 0.00 0.00 175.30 176.59 1peq s LYS 613 N -0.66 4.11 0.03 3.54 1.02 -1.26 -0.40 119.74 126.13 1peq s LYS 613 Ca 0.10 -2.81 -0.04 0.00 0.02 0.00 0.00 55.97 53.24 1peq s LYS 613 Cb -0.10 -4.84 -0.01 0.00 -0.52 0.00 0.00 37.83 32.36 1peq s LYS 613 CO -0.01 -1.54 0.07 -1.21 -0.92 0.00 0.00 175.35 171.74 1peq s GLU 614 N 0.44 0.53 0.00 1.68 2.02 -0.84 -4.90 118.70 117.64 1peq s GLU 614 Ca 0.37 -0.73 0.00 0.00 0.02 0.00 0.00 54.97 54.63 1peq s GLU 614 Cb -0.06 0.21 0.00 0.00 0.10 0.00 0.00 34.13 34.38 1peq s GLU 614 CO -0.04 -0.12 0.00 0.41 0.02 0.00 0.00 175.26 175.53 1peq n GLY 615 N 0.92 -1.11 0.12 -1.39 0.00 -1.26 -2.97 105.19 99.50 1peq n GLY 615 Ca -0.20 -1.62 0.10 0.00 0.00 0.00 0.00 46.02 44.30 1peq n GLY 615 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1peq n LYS 616 N -1.13 0.14 0.02 1.61 2.85 -1.26 -2.29 118.16 118.09 1peq n LYS 616 Ca 0.00 0.48 0.11 0.00 -1.05 0.00 0.00 58.31 57.85 1peq n LYS 616 Cb 0.00 -1.83 -0.08 0.00 -0.65 0.00 0.00 35.03 32.48 1peq n LYS 616 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 1peq n THR 617 N -2.10 0.12 0.00 0.58 -2.24 -1.26 -4.97 114.28 104.40 1peq n THR 617 Ca 0.01 -0.32 0.00 0.00 -2.27 0.00 0.00 64.05 61.47 1peq n THR 617 Cb 0.14 0.23 0.00 0.00 -2.10 0.00 0.00 70.33 68.60 1peq n THR 617 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1peq n GLY 618 N 1.34 2.79 3.25 3.38 0.00 -0.97 -5.02 105.19 109.95 1peq n GLY 618 Ca -0.00 -0.12 -0.13 0.00 0.00 0.00 0.00 46.02 45.77 1peq n GLY 618 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1peq s ARG 619 N 0.00 0.73 -0.02 1.61 1.70 -1.16 -1.98 118.95 119.83 1peq s ARG 619 Ca 0.00 -0.28 0.03 0.00 -0.47 0.00 0.00 55.73 55.02 1peq s ARG 619 Cb 0.00 0.32 -0.00 0.00 -0.57 0.00 0.00 34.95 34.70 1peq s ARG 619 CO 0.00 -0.21 -0.12 0.08 -1.08 0.00 0.00 175.30 173.97 1peq s VAL 620 N -1.72 0.95 -0.01 4.99 1.01 0.47 -4.82 120.40 121.26 1peq s VAL 620 Ca -0.11 -0.49 0.02 0.00 0.00 0.00 0.00 61.98 61.41 1peq s VAL 620 Cb -0.04 -0.81 -0.03 0.00 0.00 0.00 0.00 36.38 35.50 1peq s VAL 620 CO 0.02 0.28 -0.05 -0.31 0.00 0.00 0.00 175.10 175.03 1peq s TYR 621 N -0.11 2.94 -0.20 5.22 1.51 -1.26 -1.37 117.35 124.08 1peq s TYR 621 Ca 0.01 -0.00 -0.01 0.00 -1.01 0.00 0.00 57.07 56.06 1peq s TYR 621 Cb -0.06 -1.64 0.06 0.00 -0.11 0.00 0.00 41.96 40.20 1peq s TYR 621 CO 0.00 0.39 -0.01 -0.47 -1.11 0.00 0.00 175.55 174.35 1peq s TYR 622 N -0.98 1.58 0.36 2.71 5.04 -0.54 -4.67 117.35 120.85 1peq s TYR 622 Ca 0.17 -1.18 -0.25 0.00 -2.44 0.00 0.00 57.07 53.37 1peq s TYR 622 Cb -0.11 -1.25 -0.10 0.00 0.35 0.00 0.00 41.96 40.85 1peq s TYR 622 CO 0.07 -0.66 0.98 -1.25 -1.34 0.00 0.00 175.55 173.34 1peq s PRO 623 N 1.67 4.40 0.49 4.97 0.04 -1.26 -1.76 135.00 143.56 1peq s PRO 623 Ca -0.02 1.34 -0.21 0.00 0.04 0.00 0.00 61.00 62.15 1peq s PRO 623 Cb -0.17 -2.62 -0.07 0.00 0.04 0.00 0.00 34.50 31.68 1peq s PRO 623 CO -0.07 0.11 1.11 0.00 0.04 0.00 0.00 177.00 178.18 1peq s ALA 624 N -1.73 2.85 0.30 8.56 0.00 -1.10 -4.94 121.76 125.71 1peq s ALA 624 Ca 0.54 0.79 -0.30 0.00 0.00 0.00 0.00 51.96 53.00 1peq s ALA 624 Cb -0.18 -3.33 -0.11 0.00 0.00 0.00 0.00 23.12 19.50 1peq s ALA 624 CO 0.23 -0.57 1.58 -1.25 0.00 0.00 0.00 175.76 175.75 1peq s PRO 625 N -3.03 4.12 -0.02 0.00 0.04 -1.26 -2.21 135.00 132.64 1peq s PRO 625 Ca 0.67 2.58 0.00 0.00 0.04 0.00 0.00 61.00 64.29 1peq s PRO 625 Cb -0.23 -3.02 0.00 0.00 0.04 0.00 0.00 34.50 31.29 1peq s PRO 625 CO 0.27 -0.62 0.00 1.19 0.04 0.00 0.00 177.00 177.88 1peq n PHE 626 N 1.96 0.00 -3.27 0.56 3.72 -1.26 -4.82 117.46 114.35 1peq n PHE 626 Ca 0.07 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 57.09 1peq n PHE 626 Cb 0.38 -0.95 -0.06 0.00 -0.94 0.00 0.00 39.48 37.90 1peq n PHE 626 CO 0.00 0.00 0.00 1.41 -0.05 0.00 0.00 176.76 178.12 1peq s MET 627 N -0.97 4.25 0.30 -1.08 1.75 -0.94 -4.86 119.30 117.75 1peq s MET 627 Ca 0.00 0.66 0.02 0.00 -1.25 0.00 0.00 55.69 55.12 1peq s MET 627 Cb 0.00 -3.32 -0.02 0.00 2.84 0.00 0.00 34.83 34.33 1peq s MET 627 CO 0.00 0.43 0.31 0.95 -0.65 0.00 0.00 175.02 176.06 1peq s THR 628 N -0.38 0.00 -0.50 10.11 -4.23 -1.26 -4.93 115.64 114.45 1peq s THR 628 Ca 0.29 -1.86 0.22 0.00 -1.18 0.00 0.00 61.69 59.16 1peq s THR 628 Cb -0.18 -2.52 0.22 0.00 1.34 0.00 0.00 72.50 71.37 1peq s THR 628 CO 0.16 0.00 1.66 0.59 -0.54 0.00 0.00 174.62 176.49 1peq n ASN 629 N -1.15 0.57 -1.14 3.99 3.02 -1.26 -1.51 115.26 117.78 1peq n ASN 629 Ca 0.04 0.66 0.11 0.00 -0.03 0.00 0.00 54.58 55.36 1peq n ASN 629 Cb 0.63 -0.77 0.27 0.00 -0.61 0.00 0.00 39.78 39.29 1peq n ASN 629 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1peq n GLU 630 N -2.15 2.46 -0.56 3.52 -0.58 -1.26 -4.23 120.64 117.84 1peq n GLU 630 Ca 0.02 -2.24 0.00 0.00 -0.42 0.00 0.00 57.16 54.52 1peq n GLU 630 Cb 0.19 -1.51 -0.00 0.00 -0.57 0.00 0.00 31.44 29.55 1peq n GLU 630 CO 0.00 0.00 0.00 0.27 -0.48 0.00 0.00 177.13 176.92 1peq n ASN 631 N 1.38 0.04 -0.21 1.62 2.04 -0.57 -4.86 115.26 114.70 1peq n ASN 631 Ca 0.20 -1.78 0.11 0.00 -0.44 0.00 0.00 54.58 52.67 1peq n ASN 631 Cb 0.56 -0.15 0.40 0.00 -2.53 0.00 0.00 39.78 38.06 1peq n ASN 631 CO 0.00 0.00 0.00 -0.07 -0.44 0.00 0.00 177.26 176.75 1peq h LEU 632 N 0.05 0.59 -0.08 -4.53 3.38 -1.65 0.97 115.31 114.04 1peq h LEU 632 Ca -0.02 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1peq h LEU 632 Cb 1.34 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.99 1peq h LEU 632 CO 0.00 0.33 0.00 -0.90 0.09 0.00 0.00 178.44 177.96 1peq n ASP 633 N -4.51 0.05 -0.54 -0.43 5.75 -1.26 0.11 116.55 115.71 1peq n ASP 633 Ca 0.14 0.52 0.13 0.00 -0.01 0.00 0.00 54.79 55.57 1peq n ASP 633 Cb 0.40 -0.53 0.39 0.00 -1.03 0.00 0.00 41.12 40.36 1peq n ASP 633 CO 0.00 0.00 0.00 0.23 -0.11 0.00 0.00 177.20 177.32 1peq n MET 634 N -1.56 1.66 -3.05 0.11 2.81 0.34 -4.39 117.12 113.04 1peq n MET 634 Ca 0.02 -1.09 -0.31 0.00 -1.81 0.00 0.00 57.70 54.51 1peq n MET 634 Cb 0.10 -1.48 -0.04 0.00 -0.71 0.00 0.00 33.22 31.10 1peq n MET 634 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 1peq n TYR 635 N 0.28 3.55 -2.63 2.03 4.02 0.12 -4.77 117.16 119.75 1peq n TYR 635 Ca 0.17 -3.67 -0.41 0.00 -0.01 0.00 0.00 57.90 53.97 1peq n TYR 635 Cb 0.41 -0.70 -0.04 0.00 -0.02 0.00 0.00 39.34 38.99 1peq n TYR 635 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 176.86 175.20 1peq s GLN 636 N -3.24 4.61 0.76 -0.72 -0.21 -1.26 -4.82 119.66 114.77 1peq s GLN 636 Ca 0.43 1.55 -0.11 0.00 0.02 0.00 0.00 55.36 57.24 1peq s GLN 636 Cb 0.20 -3.37 0.05 0.00 1.00 0.00 0.00 33.01 30.89 1peq s GLN 636 CO -0.07 0.07 1.09 0.16 -2.12 0.00 0.00 175.29 174.41 1peq s ASP 637 N 0.31 4.84 0.52 5.90 1.47 -1.26 -4.61 116.67 123.85 1peq s ASP 637 Ca 0.50 1.37 0.34 0.00 1.18 0.00 0.00 52.55 55.94 1peq s ASP 637 Cb -0.25 -2.15 1.49 0.00 -0.34 0.00 0.00 42.92 41.67 1peq s ASP 637 CO 0.31 -1.76 1.80 0.00 0.68 0.00 0.00 175.17 176.20 1peq h ALA 638 N -0.94 3.00 0.31 2.11 0.00 -1.14 -0.25 119.26 122.35 1peq h ALA 638 Ca -0.46 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.41 1peq h ALA 638 Cb 1.25 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.13 1peq h ALA 638 CO 0.59 -1.35 -0.15 1.88 0.00 0.00 0.00 179.25 180.22 1peq h TYR 639 N 0.06 -0.39 -0.94 0.00 -1.99 -1.86 -2.54 116.97 109.31 1peq h TYR 639 Ca 0.58 -0.01 0.15 0.00 2.00 0.00 0.00 58.73 61.44 1peq h TYR 639 Cb 2.17 0.13 -0.08 0.00 2.00 0.00 0.00 36.73 40.95 1peq h TYR 639 CO -0.00 -0.06 0.60 0.22 -0.00 0.00 0.00 178.16 178.91 1peq h ASP 640 N -0.97 0.73 -0.29 3.88 1.82 -1.62 -1.46 116.42 118.52 1peq h ASP 640 Ca -0.04 0.05 -0.13 0.00 -0.39 0.00 0.00 57.03 56.52 1peq h ASP 640 Cb 0.50 -0.09 -0.00 0.00 0.68 0.00 0.00 39.33 40.41 1peq h ASP 640 CO 0.07 0.36 -0.32 0.40 -1.61 0.00 0.00 179.24 178.13 1peq h ILE 641 N 0.76 1.30 -1.13 2.25 1.08 -1.12 -3.49 117.51 117.16 1peq h ILE 641 Ca 0.48 -1.50 0.12 0.00 -0.39 0.00 0.00 64.86 63.57 1peq h ILE 641 Cb 0.71 1.59 -0.06 0.00 -3.07 0.00 0.00 36.82 35.99 1peq h ILE 641 CO -0.24 0.48 -0.36 0.61 -0.69 0.00 0.00 178.15 177.95 1peq n GLY 642 N 0.19 -2.49 0.22 5.37 0.00 -0.55 -4.56 105.19 103.36 1peq n GLY 642 Ca -0.04 -1.34 -0.01 0.00 0.00 0.00 0.00 46.02 44.63 1peq n GLY 642 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1peq h PRO 643 N -0.46 0.28 -0.06 1.61 0.11 -1.83 -2.58 132.00 129.07 1peq h PRO 643 Ca -0.05 -0.02 0.03 0.00 0.11 0.00 0.00 66.00 66.08 1peq h PRO 643 Cb 0.45 -0.06 -0.06 0.00 0.11 0.00 0.00 31.00 31.44 1peq h PRO 643 CO 0.02 0.19 -0.45 1.49 -0.21 0.00 0.00 178.00 179.04 1peq h GLU 644 N 0.29 -0.55 -0.90 1.05 4.81 -1.98 0.36 114.58 117.67 1peq h GLU 644 Ca 0.28 0.04 0.03 0.00 -0.13 0.00 0.00 59.36 59.58 1peq h GLU 644 Cb 0.37 0.12 -0.05 0.00 0.63 0.00 0.00 28.75 29.82 1peq h GLU 644 CO -0.33 -0.36 0.58 0.87 -0.73 0.00 0.00 179.01 179.04 1peq h LYS 645 N -0.57 1.11 0.30 1.92 1.79 -1.71 0.20 116.57 119.62 1peq h LYS 645 Ca 0.05 -0.07 -0.01 0.00 -2.18 0.00 0.00 60.65 58.44 1peq h LYS 645 Cb 0.66 -0.25 0.00 0.00 -1.58 0.00 0.00 32.23 31.06 1peq h LYS 645 CO -0.37 0.73 -0.15 0.82 -1.08 0.00 0.00 179.45 179.41 1peq h ILE 646 N 1.14 0.73 -0.95 1.86 2.04 -1.23 -1.37 117.51 119.73 1peq h ILE 646 Ca 0.35 -0.34 0.15 0.00 1.00 0.00 0.00 64.86 66.02 1peq h ILE 646 Cb -0.02 0.92 -0.09 0.00 -0.74 0.00 0.00 36.82 36.88 1peq h ILE 646 CO -0.11 0.07 0.56 0.40 0.00 0.00 0.00 178.15 179.07 1peq h ILE 647 N -0.60 0.80 -0.08 -0.67 2.04 0.64 -1.01 117.51 118.64 1peq h ILE 647 Ca -0.04 -0.28 -0.00 0.00 1.00 0.00 0.00 64.86 65.54 1peq h ILE 647 Cb 0.43 -0.07 -0.00 0.00 -0.74 0.00 0.00 36.82 36.43 1peq h ILE 647 CO 0.07 0.15 0.04 0.44 0.00 0.00 0.00 178.15 178.84 1peq h ASP 648 N 0.80 0.11 0.15 1.72 3.45 -0.45 0.15 116.42 122.36 1peq h ASP 648 Ca 0.50 -0.12 0.02 0.00 0.43 0.00 0.00 57.03 57.86 1peq h ASP 648 Cb 0.65 -0.03 -0.04 0.00 -0.56 0.00 0.00 39.33 39.35 1peq h ASP 648 CO -0.33 0.20 -0.36 0.74 -1.57 0.00 0.00 179.24 177.93 1peq h THR 649 N 0.01 0.26 -0.40 0.35 2.02 -0.23 -1.46 112.91 113.45 1peq h THR 649 Ca 0.03 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.31 1peq h THR 649 Cb 0.12 0.26 -0.02 0.00 -1.74 0.00 0.00 68.15 66.77 1peq h THR 649 CO -0.00 0.00 0.28 1.88 0.37 0.00 0.00 175.52 178.05 1peq h TYR 650 N -0.60 0.07 -0.51 3.16 -1.99 -0.90 -1.62 116.97 114.57 1peq h TYR 650 Ca 0.02 0.00 -0.03 0.00 2.00 0.00 0.00 58.73 60.72 1peq h TYR 650 Cb 0.62 -0.02 -0.02 0.00 2.00 0.00 0.00 36.73 39.31 1peq h TYR 650 CO -0.30 0.03 0.20 0.00 -0.00 0.00 0.00 178.16 178.10 1peq h ALA 651 N 1.80 0.67 -0.35 3.88 0.00 0.37 0.29 119.26 125.91 1peq h ALA 651 Ca 0.19 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 54.97 1peq h ALA 651 Cb 0.67 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 1peq h ALA 651 CO -0.01 0.28 0.17 0.93 0.00 0.00 0.00 179.25 180.61 1peq h GLU 652 N 0.69 0.34 -0.09 0.00 4.39 -0.87 -2.82 114.58 116.22 1peq h GLU 652 Ca 0.17 -0.02 -0.08 0.00 0.34 0.00 0.00 59.36 59.77 1peq h GLU 652 Cb 0.20 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.76 1peq h GLU 652 CO -0.01 0.23 -0.32 0.00 -1.16 0.00 0.00 179.01 177.74 1peq h ALA 653 N 1.18 1.29 0.00 3.43 0.00 -1.27 -2.92 119.26 120.98 1peq h ALA 653 Ca 0.15 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1peq h ALA 653 Cb 0.06 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1peq h ALA 653 CO -0.11 0.49 0.00 2.41 0.00 0.00 0.00 179.25 182.04 1peq n THR 654 N -4.12 1.02 0.40 0.00 -1.04 0.05 -1.98 114.28 108.62 1peq n THR 654 Ca -0.01 0.38 0.13 0.00 -2.04 0.00 0.00 64.05 62.51 1peq n THR 654 Cb 0.40 -1.31 0.38 0.00 -1.82 0.00 0.00 70.33 67.98 1peq n THR 654 CO 0.00 0.00 0.00 -0.09 -0.64 0.00 0.00 175.07 174.34 1peq h ARG 655 N 0.00 0.00 0.00 -2.82 2.43 -1.50 -3.37 114.38 109.13 1peq h ARG 655 Ca 0.00 0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 59.08 1peq h ARG 655 Cb 0.22 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.76 1peq h ARG 655 CO 0.00 0.00 -1.33 0.72 -1.51 0.00 0.00 179.97 177.85 1peq n HIS 656 N -2.67 0.00 -1.60 2.20 8.25 -0.84 -4.98 115.22 115.59 1peq n HIS 656 Ca 0.04 0.00 -0.44 0.00 -0.26 0.00 0.00 57.72 57.06 1peq n HIS 656 Cb 0.42 -0.22 -0.04 0.00 1.12 0.00 0.00 29.99 31.27 1peq n HIS 656 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1peq n VAL 657 N -2.75 0.41 0.29 1.59 0.31 -0.90 -4.86 118.33 112.42 1peq n VAL 657 Ca -0.10 -0.37 0.19 0.00 -0.01 0.00 0.00 64.34 64.04 1peq n VAL 657 Cb 0.61 -2.40 0.83 0.00 -0.91 0.00 0.00 33.84 31.96 1peq n VAL 657 CO 0.00 0.00 0.00 -2.24 -1.32 0.00 0.00 176.83 173.27 1peq h ASP 658 N 13.80 0.00 0.00 4.52 2.03 -1.91 -3.42 116.42 131.45 1peq h ASP 658 Ca -0.41 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.89 1peq h ASP 658 Cb 1.25 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.75 1peq h ASP 658 CO 0.96 0.00 0.00 0.00 -1.03 0.00 0.00 179.24 179.18 1peq n GLN 659 N -3.10 0.00 -3.69 4.15 6.02 -1.12 -4.89 117.38 114.75 1peq n GLN 659 Ca -0.00 0.00 -0.15 0.00 -0.01 0.00 0.00 57.00 56.83 1peq n GLN 659 Cb 0.24 0.00 -0.06 0.00 1.02 0.00 0.00 30.24 31.44 1peq n GLN 659 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1peq n GLY 660 N 5.00 3.24 2.71 1.08 0.00 -0.24 -4.86 105.19 112.12 1peq n GLY 660 Ca 0.00 -1.87 -0.18 0.00 0.00 0.00 0.00 46.02 43.97 1peq n GLY 660 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1peq s LEU 661 N 0.00 0.53 -0.18 0.99 1.02 -1.26 -0.67 118.68 119.11 1peq s LEU 661 Ca 0.27 0.06 -0.29 0.00 0.02 0.00 0.00 54.13 54.19 1peq s LEU 661 Cb 0.01 -0.13 -0.04 0.00 0.02 0.00 0.00 46.19 46.05 1peq s LEU 661 CO 0.19 -0.20 1.80 -0.44 0.02 0.00 0.00 176.35 177.72 1peq s SER 662 N 1.73 6.20 -0.31 2.29 0.01 -0.75 -4.72 113.70 118.16 1peq s SER 662 Ca -0.01 1.86 -0.03 0.00 1.31 0.00 0.00 55.95 59.08 1peq s SER 662 Cb -0.12 -2.53 0.05 0.00 0.21 0.00 0.00 66.02 63.62 1peq s SER 662 CO -0.03 -1.36 0.02 -0.22 0.41 0.00 0.00 173.24 172.06 1peq s LEU 663 N 5.69 3.95 -0.06 2.44 2.96 -1.26 -4.74 118.68 127.66 1peq s LEU 663 Ca 0.80 -1.21 -0.01 0.00 -0.22 0.00 0.00 54.13 53.49 1peq s LEU 663 Cb -0.30 -1.75 -0.03 0.00 0.50 0.00 0.00 46.19 44.61 1peq s LEU 663 CO 0.33 -0.27 0.00 -0.89 -1.32 0.00 0.00 176.35 174.20 1peq s THR 664 N 1.29 4.29 -0.11 3.68 2.01 -1.26 -0.74 115.64 124.79 1peq s THR 664 Ca -0.04 -0.34 0.00 0.00 0.31 0.00 0.00 61.69 61.63 1peq s THR 664 Cb -0.19 -2.83 -0.02 0.00 0.01 0.00 0.00 72.50 69.46 1peq s THR 664 CO -0.00 0.54 -0.12 -0.76 -0.69 0.00 0.00 174.62 173.60 1peq s LEU 665 N -1.07 2.83 -0.18 4.42 1.43 -1.19 -4.99 118.68 119.93 1peq s LEU 665 Ca 0.15 -0.25 -0.05 0.00 -1.03 0.00 0.00 54.13 52.95 1peq s LEU 665 Cb -0.11 -1.63 -0.03 0.00 0.03 0.00 0.00 46.19 44.45 1peq s LEU 665 CO 0.05 0.22 -0.00 -0.36 0.23 0.00 0.00 176.35 176.48 1peq s PHE 666 N 0.05 3.08 0.14 0.29 0.40 -1.26 -0.81 117.98 119.86 1peq s PHE 666 Ca -0.04 -0.27 0.10 0.00 -0.60 0.00 0.00 56.93 56.12 1peq s PHE 666 Cb -0.14 -2.03 -0.04 0.00 0.51 0.00 0.00 43.02 41.32 1peq s PHE 666 CO 0.04 -0.07 -0.23 -0.06 0.70 0.00 0.00 175.22 175.61 1peq s PHE 667 N 0.60 2.03 0.79 0.36 0.40 -0.17 -4.57 117.98 117.42 1peq s PHE 667 Ca -0.01 -0.41 -0.11 0.00 -0.60 0.00 0.00 56.93 55.81 1peq s PHE 667 Cb -0.14 -1.06 0.07 0.00 0.51 0.00 0.00 43.02 42.39 1peq s PHE 667 CO 0.02 0.32 1.10 -2.14 0.70 0.00 0.00 175.22 175.23 1peq s PRO 668 N -2.27 2.08 0.00 0.24 0.02 -1.26 -1.51 135.00 132.30 1peq s PRO 668 Ca 0.13 1.26 0.00 0.00 0.02 0.00 0.00 61.00 62.41 1peq s PRO 668 Cb -0.09 -1.87 0.00 0.00 0.02 0.00 0.00 34.50 32.56 1peq s PRO 668 CO 0.06 -1.79 0.65 -0.40 -0.33 0.00 0.00 177.00 175.19 1peq n ASP 669 N -3.54 0.53 -0.23 2.53 5.75 -1.26 -2.19 116.55 118.13 1peq n ASP 669 Ca 0.10 -1.83 0.02 0.00 -0.01 0.00 0.00 54.79 53.07 1peq n ASP 669 Cb 0.53 -0.26 0.05 0.00 -1.03 0.00 0.00 41.12 40.40 1peq n ASP 669 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1peq n THR 670 N -0.19 0.70 -1.58 2.12 -2.24 -1.26 -5.00 114.28 106.83 1peq n THR 670 Ca 0.00 -0.85 -0.32 0.00 -2.27 0.00 0.00 64.05 60.61 1peq n THR 670 Cb 0.13 0.68 0.06 0.00 -2.10 0.00 0.00 70.33 69.10 1peq n THR 670 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1peq s ALA 671 N -0.81 2.50 0.33 6.98 0.00 -0.93 -5.05 121.76 124.79 1peq s ALA 671 Ca 0.08 0.29 0.10 0.00 0.00 0.00 0.00 51.96 52.43 1peq s ALA 671 Cb 0.05 -3.25 -0.06 0.00 0.00 0.00 0.00 23.12 19.86 1peq s ALA 671 CO 0.06 -1.35 -0.08 0.95 0.00 0.00 0.00 175.76 175.35 1peq s THR 672 N -2.75 2.43 0.45 0.00 -4.23 -1.26 -5.00 115.64 105.28 1peq s THR 672 Ca 0.62 -2.16 0.11 0.00 -1.18 0.00 0.00 61.69 59.08 1peq s THR 672 Cb -0.17 -2.65 0.27 0.00 1.34 0.00 0.00 72.50 71.29 1peq s THR 672 CO 0.49 -0.23 2.09 0.71 -0.54 0.00 0.00 174.62 177.14 1peq h THR 673 N 1.99 1.06 -0.34 3.99 1.35 -1.97 0.72 112.91 119.70 1peq h THR 673 Ca -0.42 -0.11 -0.05 0.00 -0.55 0.00 0.00 66.41 65.27 1peq h THR 673 Cb 1.25 0.69 -0.02 0.00 -1.73 0.00 0.00 68.15 68.35 1peq h THR 673 CO 0.68 0.06 -0.01 -0.09 -0.25 0.00 0.00 175.52 175.90 1peq h ARG 674 N 0.33 0.53 -0.05 4.72 2.43 -1.97 0.20 114.38 120.57 1peq h ARG 674 Ca 0.10 -0.12 -0.01 0.00 -0.81 0.00 0.00 59.98 59.14 1peq h ARG 674 Cb -0.01 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 29.46 1peq h ARG 674 CO -0.02 0.57 0.00 -0.44 -1.51 0.00 0.00 179.97 178.57 1peq h ASP 675 N 0.51 0.09 -0.26 -3.80 3.32 0.00 0.53 116.42 116.81 1peq h ASP 675 Ca 0.11 -0.30 0.04 0.00 0.02 0.00 0.00 57.03 56.90 1peq h ASP 675 Cb 0.35 -0.02 -0.04 0.00 0.22 0.00 0.00 39.33 39.84 1peq h ASP 675 CO 0.01 0.37 0.02 0.40 -1.72 0.00 0.00 179.24 178.32 1peq h ILE 676 N -0.19 0.84 -0.68 0.35 2.04 -0.85 -0.96 117.51 118.06 1peq h ILE 676 Ca 0.02 -0.04 -0.01 0.00 1.00 0.00 0.00 64.86 65.83 1peq h ILE 676 Cb 0.32 0.72 -0.03 0.00 -0.74 0.00 0.00 36.82 37.09 1peq h ILE 676 CO 0.00 0.02 0.39 -1.13 0.00 0.00 0.00 178.15 177.43 1peq h ASN 677 N 0.11 0.83 -0.78 1.72 -0.73 -0.48 -1.12 115.58 115.13 1peq h ASN 677 Ca 0.12 -0.08 -0.03 0.00 1.87 0.00 0.00 56.30 58.19 1peq h ASN 677 Cb 0.15 -0.21 -0.04 0.00 0.27 0.00 0.00 38.32 38.49 1peq h ASN 677 CO -0.19 0.67 0.39 0.11 -0.37 0.00 0.00 177.43 178.04 1peq h LYS 678 N 0.92 1.12 -0.10 6.67 1.57 -0.15 0.34 116.57 126.95 1peq h LYS 678 Ca 0.24 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 1peq h LYS 678 Cb 0.01 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.11 1peq h LYS 678 CO -0.04 0.86 0.05 0.00 -0.57 0.00 0.00 179.45 179.75 1peq h ALA 679 N 1.31 0.12 -0.37 3.86 0.00 -0.60 -1.34 119.26 122.23 1peq h ALA 679 Ca 0.27 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.15 1peq h ALA 679 Cb 0.10 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1peq h ALA 679 CO -0.04 -0.40 0.11 1.96 0.00 0.00 0.00 179.25 180.88 1peq h GLN 680 N 0.11 0.53 -0.47 0.00 4.20 -0.61 0.26 115.11 119.14 1peq h GLN 680 Ca 0.04 -0.08 -0.09 0.00 0.06 0.00 0.00 58.65 58.58 1peq h GLN 680 Cb -0.00 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.66 1peq h GLN 680 CO -0.02 0.48 -0.08 0.82 -0.67 0.00 0.00 178.83 179.36 1peq h ILE 681 N 0.53 1.26 -0.15 2.54 2.04 0.15 -1.00 117.51 122.88 1peq h ILE 681 Ca 0.13 -1.15 -0.11 0.00 1.00 0.00 0.00 64.86 64.73 1peq h ILE 681 Cb 0.17 0.98 0.00 0.00 -0.74 0.00 0.00 36.82 37.23 1peq h ILE 681 CO -0.01 0.40 -0.36 0.22 0.00 0.00 0.00 178.15 178.40 1peq h TYR 682 N 0.75 0.65 -0.36 1.37 3.20 -0.17 -0.66 116.97 121.75 1peq h TYR 682 Ca 0.13 -0.24 0.07 0.00 3.14 0.00 0.00 58.73 61.83 1peq h TYR 682 Cb 0.57 -0.12 -0.07 0.00 1.54 0.00 0.00 36.73 38.65 1peq h TYR 682 CO 0.03 0.98 -0.12 0.00 -1.64 0.00 0.00 178.16 177.41 1peq h ALA 683 N 0.55 0.20 0.30 1.82 0.00 -0.40 0.13 119.26 121.86 1peq h ALA 683 Ca -0.00 0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1peq h ALA 683 Cb 0.96 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 1peq h ALA 683 CO 0.08 -0.48 -0.21 2.35 0.00 0.00 0.00 179.25 180.98 1peq h TRP 684 N -0.04 -0.55 -0.31 0.00 7.01 -0.96 -1.88 115.95 119.22 1peq h TRP 684 Ca 0.18 -0.00 0.03 0.00 2.11 0.00 0.00 58.89 61.21 1peq h TRP 684 Cb 0.30 0.20 -0.02 0.00 -2.10 0.00 0.00 29.16 27.55 1peq h TRP 684 CO -0.35 -0.32 0.21 0.00 -2.79 0.00 0.00 178.44 175.19 1peq h ARG 685 N -0.51 0.27 0.00 2.65 3.08 -0.82 -2.24 114.38 116.82 1peq h ARG 685 Ca -0.02 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.01 1peq h ARG 685 Cb 0.44 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.42 1peq h ARG 685 CO 0.01 0.18 0.00 1.63 -1.07 0.00 0.00 179.97 180.72 1peq n LYS 686 N -4.49 0.47 0.00 0.04 4.76 0.43 -4.93 118.16 114.45 1peq n LYS 686 Ca 0.03 0.01 0.00 0.00 -2.87 0.00 0.00 58.31 55.48 1peq n LYS 686 Cb 0.18 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.87 1peq n LYS 686 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1peq n GLY 687 N 1.10 1.91 3.61 0.72 0.00 -0.84 -4.87 105.19 106.82 1peq n GLY 687 Ca 0.15 0.00 -0.54 0.00 0.00 0.00 0.00 46.02 45.62 1peq n GLY 687 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1peq n ILE 688 N -1.36 0.06 0.09 -0.61 2.08 -1.09 -4.86 119.36 113.67 1peq n ILE 688 Ca 0.00 -0.01 -0.04 0.00 0.56 0.00 0.00 62.75 63.26 1peq n ILE 688 Cb 0.00 -0.79 -0.05 0.00 -0.75 0.00 0.00 39.64 38.06 1peq n ILE 688 CO 0.00 0.00 0.00 0.11 0.56 0.00 0.00 176.55 177.22 1peq h LYS 689 N 4.88 0.00 -2.60 0.38 1.57 -1.92 -3.44 116.57 115.43 1peq h LYS 689 Ca -0.48 0.00 0.06 0.00 -1.87 0.00 0.00 60.65 58.36 1peq h LYS 689 Cb 1.35 0.00 -0.13 0.00 0.08 0.00 0.00 32.23 33.53 1peq h LYS 689 CO 0.80 0.83 0.37 -1.54 -0.57 0.00 0.00 179.45 179.34 1peq s SER 690 N -6.65 -0.43 -0.03 0.86 1.04 -1.26 -2.05 113.70 105.18 1peq s SER 690 Ca 0.01 -0.06 0.02 0.00 0.48 0.00 0.00 55.95 56.40 1peq s SER 690 Cb 0.10 0.49 0.01 0.00 0.10 0.00 0.00 66.02 66.72 1peq s SER 690 CO 0.79 -0.81 -0.07 -0.76 0.98 0.00 0.00 173.24 173.37 1peq s LEU 691 N -2.64 1.63 0.00 2.42 1.43 -0.18 -4.41 118.68 116.93 1peq s LEU 691 Ca 0.04 -0.15 0.00 0.00 -1.03 0.00 0.00 54.13 52.99 1peq s LEU 691 Cb -0.01 -0.48 0.00 0.00 0.03 0.00 0.00 46.19 45.73 1peq s LEU 691 CO -0.09 0.02 0.00 0.00 0.23 0.00 0.00 176.35 176.51 1peq n TYR 692 N 3.57 0.00 -3.96 0.29 -0.00 0.08 -1.16 117.16 115.98 1peq n TYR 692 Ca -0.21 0.00 -0.28 0.00 -0.00 0.00 0.00 57.90 57.41 1peq n TYR 692 Cb 0.53 0.00 -0.04 0.00 -0.00 0.00 0.00 39.34 39.83 1peq n TYR 692 CO 0.00 0.00 0.00 1.52 -0.00 0.00 0.00 176.86 178.38 1peq s TYR 693 N 1.59 3.44 -0.20 2.98 -0.85 -1.26 -4.47 117.35 118.59 1peq s TYR 693 Ca 0.00 0.15 -0.16 0.00 -0.52 0.00 0.00 57.07 56.54 1peq s TYR 693 Cb 0.00 -1.68 -0.04 0.00 0.38 0.00 0.00 41.96 40.62 1peq s TYR 693 CO 0.00 0.54 0.40 0.96 -1.52 0.00 0.00 175.55 175.94 1peq s ILE 694 N -1.62 5.20 -0.07 -3.49 -5.25 0.12 -3.14 121.20 112.94 1peq s ILE 694 Ca 0.34 0.72 0.03 0.00 -0.99 0.00 0.00 60.65 60.75 1peq s ILE 694 Cb -0.12 -3.73 -0.02 0.00 2.95 0.00 0.00 42.46 41.54 1peq s ILE 694 CO 0.27 0.25 -0.15 -0.60 -1.79 0.00 0.00 174.94 172.93 1peq s ARG 695 N 1.29 2.74 -0.09 0.37 3.52 0.01 -4.25 118.95 122.54 1peq s ARG 695 Ca 0.19 -0.71 -0.01 0.00 -0.13 0.00 0.00 55.73 55.07 1peq s ARG 695 Cb -0.15 -2.43 -0.03 0.00 -1.56 0.00 0.00 34.95 30.78 1peq s ARG 695 CO 0.08 0.49 -0.04 -0.51 -0.81 0.00 0.00 175.30 174.52 1peq s LEU 696 N -0.39 3.33 -0.09 -0.88 1.02 -1.26 -1.00 118.68 119.40 1peq s LEU 696 Ca 0.04 0.02 -0.34 0.00 0.02 0.00 0.00 54.13 53.87 1peq s LEU 696 Cb -0.12 -1.75 -0.12 0.00 0.02 0.00 0.00 46.19 44.22 1peq s LEU 696 CO 0.02 0.33 1.89 -1.14 0.02 0.00 0.00 176.35 177.48 1peq n ARG 697 N 2.43 2.18 -3.15 1.70 0.63 -0.57 -4.94 116.66 114.94 1peq n ARG 697 Ca -0.18 0.80 0.04 0.00 -0.92 0.00 0.00 57.85 57.59 1peq n ARG 697 Cb 0.53 -2.65 -0.01 0.00 0.45 0.00 0.00 32.46 30.78 1peq n ARG 697 CO 0.00 0.00 0.00 -0.65 -2.51 0.00 0.00 177.63 174.47 1peq s GLN 698 N 4.15 0.55 0.00 -0.14 -0.21 -1.26 -4.56 119.66 118.19 1peq s GLN 698 Ca 0.93 0.97 0.00 0.00 0.02 0.00 0.00 55.36 57.28 1peq s GLN 698 Cb -0.69 0.54 0.00 0.00 1.00 0.00 0.00 33.01 33.86 1peq s GLN 698 CO 0.52 -0.61 0.00 -0.11 -2.12 0.00 0.00 175.29 172.97