#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2npf s PHE 4 N 0.00 1.74 0.32 0.00 0.08 0.38 -4.90 117.98 115.61 2npf s PHE 4 Ca 0.00 -1.26 0.08 0.00 0.12 0.00 0.00 56.93 55.87 2npf s PHE 4 Cb 0.00 -1.06 -0.03 0.00 -0.57 0.00 0.00 43.02 41.36 2npf s PHE 4 CO 0.00 -0.33 0.22 0.95 -0.10 0.00 0.00 175.22 175.96 2npf s THR 5 N -3.39 3.48 0.29 0.64 -4.23 -1.26 -1.57 115.64 109.60 2npf s THR 5 Ca 0.31 -1.50 0.04 0.00 -1.18 0.00 0.00 61.69 59.36 2npf s THR 5 Cb 0.05 -3.13 0.28 0.00 1.34 0.00 0.00 72.50 71.04 2npf s THR 5 CO 0.16 -0.21 1.75 0.58 -0.54 0.00 0.00 174.62 176.37 2npf h VAL 6 N 1.40 0.66 -0.18 2.29 2.07 -1.97 -1.14 116.25 119.38 2npf h VAL 6 Ca -0.45 -0.22 -0.11 0.00 0.82 0.00 0.00 66.70 66.74 2npf h VAL 6 Cb 1.25 -0.05 -0.00 0.00 -1.52 0.00 0.00 31.29 30.97 2npf h VAL 6 CO 0.60 0.12 -0.31 0.44 0.02 0.00 0.00 177.57 178.44 2npf h ASP 7 N 0.65 0.59 -0.59 0.57 3.32 -1.97 -1.42 116.42 117.58 2npf h ASP 7 Ca 0.55 -0.54 0.10 0.00 0.02 0.00 0.00 57.03 57.17 2npf h ASP 7 Cb 0.90 -0.17 -0.08 0.00 0.22 0.00 0.00 39.33 40.20 2npf h ASP 7 CO -0.41 1.01 0.17 1.56 -1.72 0.00 0.00 179.24 179.85 2npf h GLN 8 N 0.18 0.31 0.63 3.56 4.20 -1.71 0.14 115.11 122.42 2npf h GLN 8 Ca 0.01 -0.02 -0.02 0.00 0.06 0.00 0.00 58.65 58.68 2npf h GLN 8 Cb 0.90 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.60 2npf h GLN 8 CO 0.07 0.20 -0.40 0.52 -0.67 0.00 0.00 178.83 178.55 2npf h MET 9 N 0.32 -0.94 -0.58 1.46 2.86 -1.18 -1.78 114.93 115.09 2npf h MET 9 Ca 0.30 0.06 0.17 0.00 -2.06 0.00 0.00 59.70 58.17 2npf h MET 9 Cb 0.41 0.21 -0.02 0.00 0.06 0.00 0.00 31.60 32.26 2npf h MET 9 CO -0.35 -0.63 0.72 -0.09 1.06 0.00 0.00 176.91 177.62 2npf h ARG 10 N -0.98 0.00 -0.02 1.72 9.65 -0.21 0.14 114.38 124.69 2npf h ARG 10 Ca -0.08 0.00 -0.05 0.00 -1.10 0.00 0.00 59.98 58.76 2npf h ARG 10 Cb 0.80 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.38 2npf h ARG 10 CO 0.07 0.00 -0.17 1.03 2.80 0.00 0.00 179.97 183.69 2npf h SER 11 N 0.00 0.18 -0.55 -3.80 0.87 -0.11 -3.15 113.55 107.00 2npf h SER 11 Ca 0.27 -0.71 0.01 0.00 -1.23 0.00 0.00 61.79 60.13 2npf h SER 11 Cb 1.71 -0.05 -0.03 0.00 -0.44 0.00 0.00 62.40 63.59 2npf h SER 11 CO -0.00 0.87 0.36 -0.07 -0.53 0.00 0.00 176.83 177.46 2npf h LEU 12 N -0.49 0.61 -1.40 2.23 -0.00 -0.47 -2.15 115.31 113.64 2npf h LEU 12 Ca -0.02 -0.01 0.00 0.00 -0.00 0.00 0.00 57.88 57.85 2npf h LEU 12 Cb 0.88 -0.15 0.00 0.00 -0.00 0.00 0.00 40.66 41.39 2npf h LEU 12 CO 0.03 0.43 0.00 0.24 -0.00 0.00 0.00 178.44 179.15 2npf h MET 13 N 0.71 0.00 0.06 1.13 2.86 -1.45 -2.83 114.93 115.42 2npf h MET 13 Ca 0.21 0.00 -0.24 0.00 -2.06 0.00 0.00 59.70 57.61 2npf h MET 13 Cb -0.04 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.61 2npf h MET 13 CO -0.05 0.00 -1.09 -0.44 1.06 0.00 0.00 176.91 176.39 2npf h ASP 14 N 0.00 0.29 -1.90 1.22 3.32 -1.34 -3.36 116.42 114.64 2npf h ASP 14 Ca 0.00 -0.29 -0.76 0.00 0.02 0.00 0.00 57.03 56.00 2npf h ASP 14 Cb 0.43 -0.09 -0.18 0.00 0.22 0.00 0.00 39.33 39.71 2npf h ASP 14 CO 0.00 1.19 1.61 0.29 -1.72 0.00 0.00 179.24 180.60 2npf n LYS 15 N -3.52 3.67 0.00 3.56 5.02 -1.07 -4.78 118.16 121.05 2npf n LYS 15 Ca -0.05 -3.80 0.06 0.00 -2.02 0.00 0.00 58.31 52.50 2npf n LYS 15 Cb 0.95 -2.88 0.30 0.00 -0.02 0.00 0.00 35.03 33.38 2npf n LYS 15 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 2npf n VAL 16 N 3.35 0.93 0.61 -0.18 0.24 -1.26 -0.43 118.33 121.60 2npf n VAL 16 Ca 0.36 0.23 0.13 0.00 -2.04 0.00 0.00 64.34 63.03 2npf n VAL 16 Cb 0.38 -1.01 0.43 0.00 -1.47 0.00 0.00 33.84 32.17 2npf n VAL 16 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 2npf n THR 17 N -1.42 0.60 -1.95 3.34 -2.24 -1.26 -2.90 114.28 108.45 2npf n THR 17 Ca 0.04 -0.17 -0.27 0.00 -2.27 0.00 0.00 64.05 61.38 2npf n THR 17 Cb 0.14 -0.68 0.03 0.00 -2.10 0.00 0.00 70.33 67.71 2npf n THR 17 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2npf n ASN 18 N -2.19 5.57 -4.18 3.42 4.13 0.42 -4.64 115.26 117.80 2npf n ASN 18 Ca 0.05 -3.76 -0.21 0.00 1.68 0.00 0.00 54.58 52.34 2npf n ASN 18 Cb 0.39 -0.52 -0.13 0.00 -1.54 0.00 0.00 39.78 37.98 2npf n ASN 18 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 2npf s VAL 19 N -4.80 1.25 -0.24 2.41 1.01 -1.14 -1.05 120.40 117.83 2npf s VAL 19 Ca 0.53 -1.12 -0.03 0.00 0.00 0.00 0.00 61.98 61.37 2npf s VAL 19 Cb 0.43 -1.13 0.08 0.00 0.00 0.00 0.00 36.38 35.76 2npf s VAL 19 CO -0.03 -0.00 0.07 -0.13 0.00 0.00 0.00 175.10 175.01 2npf s ARG 20 N -1.30 0.57 -0.44 2.72 1.81 0.41 -4.13 118.95 118.58 2npf s ARG 20 Ca 0.02 -0.62 -0.19 0.00 -1.72 0.00 0.00 55.73 53.23 2npf s ARG 20 Cb -0.08 -1.90 0.03 0.00 -0.45 0.00 0.00 34.95 32.54 2npf s ARG 20 CO 0.02 -0.81 0.53 -0.80 -0.68 0.00 0.00 175.30 173.56 2npf s ASN 21 N 1.84 6.23 0.23 0.23 0.02 -1.26 -0.03 114.94 122.20 2npf s ASN 21 Ca 0.04 -0.65 -0.01 0.00 -1.02 0.00 0.00 52.86 51.22 2npf s ASN 21 Cb -0.17 -2.26 0.00 0.00 0.02 0.00 0.00 41.25 38.84 2npf s ASN 21 CO -0.18 -0.70 0.32 1.15 0.02 0.00 0.00 177.10 177.71 2npf n MET 22 N 5.88 0.46 -3.81 -0.60 0.00 -0.52 -0.11 117.12 118.42 2npf n MET 22 Ca -0.06 -1.85 -0.10 0.00 0.00 0.00 0.00 57.70 55.70 2npf n MET 22 Cb 0.47 1.77 -0.05 0.00 0.00 0.00 0.00 33.22 35.41 2npf n MET 22 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 175.97 174.43 2npf s SER 23 N -2.43 -0.16 -0.31 3.17 1.04 -1.15 -0.76 113.70 113.10 2npf s SER 23 Ca 0.19 -0.61 -0.14 0.00 0.48 0.00 0.00 55.95 55.87 2npf s SER 23 Cb -0.01 0.53 -0.03 0.00 0.10 0.00 0.00 66.02 66.62 2npf s SER 23 CO 0.14 -1.00 0.32 -0.69 0.98 0.00 0.00 173.24 172.99 2npf s VAL 24 N -3.90 5.20 -0.33 5.02 1.01 -1.26 -1.23 120.40 124.91 2npf s VAL 24 Ca 0.12 0.17 -0.15 0.00 0.00 0.00 0.00 61.98 62.12 2npf s VAL 24 Cb 0.00 -3.73 -0.02 0.00 0.00 0.00 0.00 36.38 32.63 2npf s VAL 24 CO -0.02 0.03 0.34 -0.63 0.00 0.00 0.00 175.10 174.82 2npf s ILE 25 N 1.96 5.19 0.23 2.22 1.01 0.04 -4.92 121.20 126.93 2npf s ILE 25 Ca 0.11 0.08 -0.10 0.00 0.00 0.00 0.00 60.65 60.74 2npf s ILE 25 Cb -0.16 -3.78 -0.01 0.00 0.01 0.00 0.00 42.46 38.52 2npf s ILE 25 CO 0.11 -0.04 0.39 0.00 0.00 0.00 0.00 174.94 175.40 2npf s ALA 26 N 1.97 0.06 0.44 9.38 0.00 -1.26 0.04 121.76 132.39 2npf s ALA 26 Ca 0.11 -1.03 0.02 0.00 0.00 0.00 0.00 51.96 51.06 2npf s ALA 26 Cb -0.17 1.11 0.00 0.00 0.00 0.00 0.00 23.12 24.07 2npf s ALA 26 CO 0.11 -0.78 0.63 -1.58 0.00 0.00 0.00 175.76 174.15 2npf s HIS 27 N -4.04 3.12 0.30 0.00 2.46 -1.26 -4.97 115.29 110.90 2npf s HIS 27 Ca 0.25 0.06 -0.30 0.00 0.47 0.00 0.00 55.06 55.54 2npf s HIS 27 Cb 0.01 -2.31 -0.12 0.00 -0.13 0.00 0.00 32.58 30.04 2npf s HIS 27 CO 0.08 -0.36 1.49 0.28 -2.47 0.00 0.00 174.74 173.77 2npf n VAL 28 N -2.00 1.31 0.00 0.89 0.31 -1.26 -2.53 118.33 115.05 2npf n VAL 28 Ca 0.02 -0.33 0.00 0.00 -0.01 0.00 0.00 64.34 64.02 2npf n VAL 28 Cb 0.58 -1.79 0.00 0.00 -0.91 0.00 0.00 33.84 31.72 2npf n VAL 28 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 2npf n ASP 29 N 1.67 0.00 0.00 4.52 10.43 -1.26 -4.82 116.55 127.10 2npf n ASP 29 Ca 0.07 0.00 0.04 0.00 2.57 0.00 0.00 54.79 57.48 2npf n ASP 29 Cb 0.36 -0.90 0.25 0.00 1.84 0.00 0.00 41.12 42.67 2npf n ASP 29 CO 0.00 0.00 0.00 1.41 -1.07 0.00 0.00 177.20 177.54 2npf n HIS 30 N -1.98 0.00 0.00 1.24 8.25 -1.05 -4.78 115.22 116.90 2npf n HIS 30 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2npf n HIS 30 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 2npf n HIS 30 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2npf n GLY 31 N -0.39 1.03 0.42 -1.41 0.00 -1.26 -4.75 105.19 98.82 2npf n GLY 31 Ca 0.06 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.96 2npf n GLY 31 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2npf h LYS 32 N 3.49 -0.45 0.19 1.61 3.64 -1.86 0.13 116.57 123.32 2npf h LYS 32 Ca 0.00 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 2npf h LYS 32 Cb 0.00 0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.91 2npf h LYS 32 CO 0.00 -0.30 -0.17 0.77 -2.27 0.00 0.00 179.45 177.48 2npf h SER 33 N -0.47 -0.45 -0.49 4.20 0.02 -1.96 -1.47 113.55 112.93 2npf h SER 33 Ca 0.08 0.04 0.07 0.00 -0.84 0.00 0.00 61.79 61.14 2npf h SER 33 Cb 0.63 0.15 -0.06 0.00 0.14 0.00 0.00 62.40 63.26 2npf h SER 33 CO -0.46 -0.26 0.16 0.74 -1.14 0.00 0.00 176.83 175.87 2npf h THR 34 N -0.39 0.82 0.41 -2.27 2.02 -1.90 -1.52 112.91 110.07 2npf h THR 34 Ca -0.00 -0.11 -0.01 0.00 0.77 0.00 0.00 66.41 67.05 2npf h THR 34 Cb 0.35 0.45 -0.02 0.00 -1.74 0.00 0.00 68.15 67.20 2npf h THR 34 CO -0.03 0.06 -0.44 -0.07 0.37 0.00 0.00 175.52 175.41 2npf h LEU 35 N 0.33 -1.21 -2.25 2.58 3.38 -0.48 -1.57 115.31 116.08 2npf h LEU 35 Ca 0.24 0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.31 2npf h LEU 35 Cb 0.26 0.40 0.00 0.00 0.09 0.00 0.00 40.66 41.42 2npf h LEU 35 CO -0.25 -0.57 0.05 0.00 0.09 0.00 0.00 178.44 177.76 2npf h THR 36 N -0.85 0.00 0.00 0.22 1.03 -1.08 0.36 112.91 112.59 2npf h THR 36 Ca -0.05 0.00 -0.17 0.00 -0.01 0.00 0.00 66.41 66.18 2npf h THR 36 Cb 0.75 0.75 -0.02 0.00 -1.07 0.00 0.00 68.15 68.55 2npf h THR 36 CO -0.07 0.00 -0.81 0.44 -0.01 0.00 0.00 175.52 175.07 2npf h ASP 37 N 0.00 0.00 -0.30 0.00 3.32 -0.35 -2.21 116.42 116.88 2npf h ASP 37 Ca 0.00 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.91 2npf h ASP 37 Cb 0.11 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.65 2npf h ASP 37 CO 0.00 0.81 -0.36 -1.28 -1.72 0.00 0.00 179.24 176.69 2npf h SER 38 N 0.00 0.83 -0.33 6.45 0.87 0.50 -1.79 113.55 120.08 2npf h SER 38 Ca -0.01 -0.49 -0.02 0.00 -1.23 0.00 0.00 61.79 60.04 2npf h SER 38 Cb 1.57 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 63.28 2npf h SER 38 CO 0.11 1.16 0.14 -0.07 -0.53 0.00 0.00 176.83 177.63 2npf h LEU 39 N 0.53 0.46 -0.58 2.23 3.38 -1.36 -2.39 115.31 117.57 2npf h LEU 39 Ca 0.04 -0.16 -0.06 0.00 0.09 0.00 0.00 57.88 57.80 2npf h LEU 39 Cb 0.95 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.56 2npf h LEU 39 CO 0.09 0.49 0.14 0.58 0.09 0.00 0.00 178.44 179.83 2npf h VAL 40 N 0.40 1.25 0.00 1.22 2.07 -1.36 0.60 116.25 120.43 2npf h VAL 40 Ca 0.11 -0.89 -0.04 0.00 0.82 0.00 0.00 66.70 66.71 2npf h VAL 40 Cb 0.17 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 30.64 2npf h VAL 40 CO -0.01 0.33 -0.17 -0.61 0.02 0.00 0.00 177.57 177.13 2npf h GLN 41 N 0.84 0.00 0.05 1.57 -0.00 -1.26 0.81 115.11 117.12 2npf h GLN 41 Ca 0.18 0.00 -0.32 0.00 -0.00 0.00 0.00 58.65 58.52 2npf h GLN 41 Cb 0.34 0.00 -0.03 0.00 0.00 0.00 0.00 27.48 27.79 2npf h GLN 41 CO 0.00 0.17 -1.75 -2.13 0.00 0.00 0.00 178.83 175.12 2npf n ARG 42 N -3.52 0.65 -0.00 1.69 3.00 -0.91 -4.70 116.66 112.88 2npf n ARG 42 Ca -0.01 0.40 0.01 0.00 -0.00 0.00 0.00 57.85 58.24 2npf n ARG 42 Cb 0.32 -1.69 0.01 0.00 0.00 0.00 0.00 32.46 31.09 2npf n ARG 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2npf n ALA 43 N -3.34 2.48 -1.56 5.13 0.00 0.21 -5.04 120.51 118.39 2npf n ALA 43 Ca -0.35 -0.53 -0.48 0.00 0.00 0.00 0.00 53.44 52.07 2npf n ALA 43 Cb 0.86 -0.04 -0.04 0.00 0.00 0.00 0.00 19.45 20.24 2npf n ALA 43 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2npf n GLY 44 N 0.04 -0.20 3.81 0.00 0.00 0.28 -2.22 105.19 106.91 2npf n GLY 44 Ca 0.01 0.48 -0.32 0.00 0.00 0.00 0.00 46.02 46.19 2npf n GLY 44 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2npf s ILE 45 N -0.45 4.82 0.12 -0.61 1.01 -0.74 -4.47 121.20 120.89 2npf s ILE 45 Ca 0.70 -0.54 -0.04 0.00 0.00 0.00 0.00 60.65 60.77 2npf s ILE 45 Cb -0.84 -3.29 -0.03 0.00 0.01 0.00 0.00 42.46 38.31 2npf s ILE 45 CO 0.54 0.21 0.12 -0.63 0.00 0.00 0.00 174.94 175.18 2npf s ILE 46 N -1.35 0.11 0.40 2.92 -1.09 -1.26 -4.81 121.20 116.12 2npf s ILE 46 Ca 0.28 -1.70 -0.07 0.00 -2.23 0.00 0.00 60.65 56.93 2npf s ILE 46 Cb -0.12 -1.86 -0.05 0.00 -1.58 0.00 0.00 42.46 38.85 2npf s ILE 46 CO 0.20 -0.51 0.72 -0.44 -1.23 0.00 0.00 174.94 173.68 2npf s SER 47 N -2.99 6.43 -0.53 3.58 0.01 -1.26 -0.47 113.70 118.47 2npf s SER 47 Ca 0.18 0.96 0.07 0.00 1.31 0.00 0.00 55.95 58.47 2npf s SER 47 Cb 0.06 -2.25 0.33 0.00 0.21 0.00 0.00 66.02 64.37 2npf s SER 47 CO -0.01 -0.40 0.87 0.00 0.41 0.00 0.00 173.24 174.10 2npf n ALA 48 N -1.49 3.90 -3.65 1.44 0.00 -0.61 -4.76 120.51 115.34 2npf n ALA 48 Ca 0.01 -4.34 -0.20 0.00 0.00 0.00 0.00 53.44 48.91 2npf n ALA 48 Cb 0.54 -0.80 -0.17 0.00 0.00 0.00 0.00 19.45 19.03 2npf n ALA 48 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2npf s GLY 67 N -3.07 0.16 -0.22 0.00 0.00 -1.26 -5.06 107.32 97.87 2npf s GLY 67 Ca 0.46 0.24 -0.09 0.00 0.00 0.00 0.00 44.72 45.32 2npf s GLY 67 CO -0.11 1.59 0.11 -0.42 0.00 0.00 0.00 173.10 174.27 2npf s ILE 68 N 2.22 5.06 0.29 0.90 1.01 -1.26 -4.90 121.20 124.52 2npf s ILE 68 Ca 0.04 0.07 0.10 0.00 0.00 0.00 0.00 60.65 60.87 2npf s ILE 68 Cb -0.13 -3.33 -0.06 0.00 0.01 0.00 0.00 42.46 38.96 2npf s ILE 68 CO -0.06 0.39 -0.15 0.42 0.00 0.00 0.00 174.94 175.55 2npf s THR 69 N 0.82 2.27 0.13 2.92 -4.23 -1.26 -4.50 115.64 111.78 2npf s THR 69 Ca 0.06 -2.30 -0.08 0.00 -1.18 0.00 0.00 61.69 58.18 2npf s THR 69 Cb -0.13 -2.40 -0.01 0.00 1.34 0.00 0.00 72.50 71.30 2npf s THR 69 CO 0.02 -0.35 0.23 0.27 -0.54 0.00 0.00 174.62 174.26 2npf s ILE 70 N -2.62 0.10 -0.21 2.99 -4.36 -0.77 -1.11 121.20 115.22 2npf s ILE 70 Ca 0.30 -1.32 -0.29 0.00 -0.26 0.00 0.00 60.65 59.08 2npf s ILE 70 Cb -0.02 -1.63 -0.02 0.00 1.25 0.00 0.00 42.46 42.05 2npf s ILE 70 CO 0.15 -0.47 1.53 -0.75 0.24 0.00 0.00 174.94 175.64 2npf s LYS 71 N -3.92 3.90 0.05 0.37 2.20 -0.88 -4.29 119.74 117.17 2npf s LYS 71 Ca 0.12 1.64 -0.38 0.00 -0.36 0.00 0.00 55.97 56.99 2npf s LYS 71 Cb 0.04 -3.98 -0.18 0.00 -1.51 0.00 0.00 37.83 32.21 2npf s LYS 71 CO -0.05 -1.16 1.23 0.45 -0.36 0.00 0.00 175.35 175.46 2npf n SER 72 N 7.99 0.99 0.00 1.43 2.88 -1.26 -4.83 113.62 120.82 2npf n SER 72 Ca 0.17 1.14 0.00 0.00 -1.33 0.00 0.00 58.87 58.85 2npf n SER 72 Cb 0.45 -1.08 0.00 0.00 -0.75 0.00 0.00 64.21 62.83 2npf n SER 72 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 2npf n THR 73 N 2.12 0.00 -3.50 2.46 -1.04 -1.26 -4.99 114.28 108.06 2npf n THR 73 Ca 0.19 0.00 -0.10 0.00 -2.04 0.00 0.00 64.05 62.10 2npf n THR 73 Cb 0.15 -0.02 -0.03 0.00 -1.82 0.00 0.00 70.33 68.61 2npf n THR 73 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2npf s ALA 74 N -1.54 -1.80 0.07 2.41 0.00 -1.26 -1.25 121.76 118.38 2npf s ALA 74 Ca 0.00 1.06 0.06 0.00 0.00 0.00 0.00 51.96 53.08 2npf s ALA 74 Cb 0.00 0.26 -0.03 0.00 0.00 0.00 0.00 23.12 23.36 2npf s ALA 74 CO 0.00 -0.61 -0.16 0.42 0.00 0.00 0.00 175.76 175.41 2npf s ILE 75 N -2.72 1.27 -0.22 0.00 1.09 -0.64 -1.83 121.20 118.16 2npf s ILE 75 Ca 0.02 -1.25 -0.11 0.00 -1.10 0.00 0.00 60.65 58.21 2npf s ILE 75 Cb -0.01 -1.18 -0.05 0.00 -1.06 0.00 0.00 42.46 40.17 2npf s ILE 75 CO -0.06 -0.09 0.16 -0.44 -0.10 0.00 0.00 174.94 174.41 2npf s SER 76 N -1.55 6.17 -0.09 3.58 0.01 -1.26 -0.31 113.70 120.26 2npf s SER 76 Ca 0.01 0.18 0.02 0.00 1.31 0.00 0.00 55.95 57.48 2npf s SER 76 Cb -0.09 -2.11 -0.02 0.00 0.21 0.00 0.00 66.02 64.01 2npf s SER 76 CO 0.02 0.11 -0.16 -0.76 0.41 0.00 0.00 173.24 172.87 2npf s LEU 77 N 0.77 2.61 -0.19 2.44 1.02 0.37 -1.79 118.68 123.92 2npf s LEU 77 Ca 0.08 -0.31 -0.04 0.00 0.02 0.00 0.00 54.13 53.89 2npf s LEU 77 Cb -0.13 -1.55 -0.02 0.00 0.02 0.00 0.00 46.19 44.52 2npf s LEU 77 CO 0.02 0.25 -0.04 -0.47 0.02 0.00 0.00 176.35 176.12 2npf s TYR 78 N -0.15 2.97 -0.03 0.29 5.04 -0.94 0.91 117.35 125.45 2npf s TYR 78 Ca -0.01 -0.60 0.01 0.00 -2.44 0.00 0.00 57.07 54.02 2npf s TYR 78 Cb -0.14 -2.02 0.02 0.00 0.35 0.00 0.00 41.96 40.17 2npf s TYR 78 CO 0.03 -0.28 -0.01 0.45 -1.34 0.00 0.00 175.55 174.40 2npf s SER 79 N 0.90 0.52 -0.20 4.32 0.15 -0.76 -4.75 113.70 113.89 2npf s SER 79 Ca -0.00 -0.05 -0.08 0.00 0.70 0.00 0.00 55.95 56.52 2npf s SER 79 Cb -0.15 -0.26 -0.04 0.00 -1.71 0.00 0.00 66.02 63.87 2npf s SER 79 CO 0.01 -0.07 0.07 -1.61 1.20 0.00 0.00 173.24 172.84 2npf s GLU 80 N 0.88 3.93 0.14 5.44 2.02 -1.26 -1.26 118.70 128.58 2npf s GLU 80 Ca -0.10 -0.36 0.08 0.00 0.02 0.00 0.00 54.97 54.61 2npf s GLU 80 Cb -0.13 -3.26 -0.04 0.00 0.10 0.00 0.00 34.13 30.80 2npf s GLU 80 CO -0.01 0.18 -0.08 -1.64 0.02 0.00 0.00 175.26 173.73 2npf s MET 81 N 0.64 2.17 0.30 1.61 -1.94 -0.40 -5.02 119.30 116.67 2npf s MET 81 Ca 0.04 -1.11 -0.28 0.00 -1.71 0.00 0.00 55.69 52.63 2npf s MET 81 Cb -0.13 -2.28 -0.09 0.00 2.01 0.00 0.00 34.83 34.34 2npf s MET 81 CO 0.01 0.48 1.03 -1.54 -0.01 0.00 0.00 175.02 174.99 2npf s SER 82 N -2.54 7.26 0.36 3.03 1.04 -1.26 -4.74 113.70 116.84 2npf s SER 82 Ca 0.24 2.09 0.27 0.00 0.48 0.00 0.00 55.95 59.03 2npf s SER 82 Cb -0.10 -2.61 1.19 0.00 0.10 0.00 0.00 66.02 64.60 2npf s SER 82 CO 0.15 -0.14 1.21 0.47 0.98 0.00 0.00 173.24 175.92 2npf n ASP 83 N 0.92 0.14 0.05 7.02 8.00 -1.26 0.52 116.55 131.94 2npf n ASP 83 Ca 0.00 1.03 -0.21 0.00 0.71 0.00 0.00 54.79 56.32 2npf n ASP 83 Cb 0.47 -0.51 -0.15 0.00 -0.02 0.00 0.00 41.12 40.92 2npf n ASP 83 CO 0.00 0.00 0.00 1.05 -0.39 0.00 0.00 177.20 177.86 2npf h GLU 84 N 0.00 0.32 -0.94 -1.24 4.11 -2.00 -3.22 114.58 111.61 2npf h GLU 84 Ca 0.69 -0.54 0.08 0.00 0.07 0.00 0.00 59.36 59.66 2npf h GLU 84 Cb 2.32 0.20 -0.07 0.00 0.50 0.00 0.00 28.75 31.70 2npf h GLU 84 CO -0.31 1.26 0.59 -0.44 0.07 0.00 0.00 179.01 180.18 2npf h ASP 85 N -0.25 0.90 0.11 3.06 3.45 -0.29 0.26 116.42 123.66 2npf h ASP 85 Ca -0.23 0.03 -0.00 0.00 0.43 0.00 0.00 57.03 57.26 2npf h ASP 85 Cb 1.78 -0.16 -0.00 0.00 -0.56 0.00 0.00 39.33 40.39 2npf h ASP 85 CO 0.14 0.54 -0.01 0.58 -1.57 0.00 0.00 179.24 178.92 2npf h VAL 86 N 1.02 0.14 0.00 -1.35 2.07 -1.05 0.13 116.25 117.21 2npf h VAL 86 Ca 0.43 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.87 2npf h VAL 86 Cb 0.28 1.07 0.00 0.00 -1.52 0.00 0.00 31.29 31.11 2npf h VAL 86 CO -0.21 0.01 -0.64 0.50 0.02 0.00 0.00 177.57 177.25 2npf h LYS 87 N 0.00 0.00 0.00 1.57 1.63 -0.51 -3.20 116.57 116.06 2npf h LYS 87 Ca -0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 2npf h LYS 87 Cb 0.06 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.69 2npf h LYS 87 CO 0.00 0.00 0.00 0.39 -3.45 0.00 0.00 179.45 176.39 2npf n GLU 88 N -2.59 0.08 -2.47 1.90 -0.58 0.03 -4.67 120.64 112.33 2npf n GLU 88 Ca 0.02 0.17 -0.43 0.00 -0.42 0.00 0.00 57.16 56.50 2npf n GLU 88 Cb 0.51 -1.61 -0.02 0.00 -0.57 0.00 0.00 31.44 29.75 2npf n GLU 88 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 2npf s ILE 89 N -3.06 4.04 -0.02 -3.67 1.01 -1.21 -4.92 121.20 113.36 2npf s ILE 89 Ca 0.10 1.05 -0.05 0.00 0.00 0.00 0.00 60.65 61.75 2npf s ILE 89 Cb 0.14 -4.41 -0.20 0.00 0.01 0.00 0.00 42.46 37.99 2npf s ILE 89 CO 0.45 -0.91 3.29 0.29 0.00 0.00 0.00 174.94 178.06 2npf n LYS 90 N 8.01 1.84 -3.52 2.79 4.01 -1.26 -4.81 118.16 125.22 2npf n LYS 90 Ca 0.14 -0.89 -0.09 0.00 -0.51 0.00 0.00 58.31 56.96 2npf n LYS 90 Cb 0.49 -1.82 -0.02 0.00 -0.51 0.00 0.00 35.03 33.16 2npf n LYS 90 CO 0.00 0.00 0.00 1.14 -1.11 0.00 0.00 177.40 177.43 2npf s GLN 91 N 0.67 1.11 -0.33 1.97 -2.07 -1.26 -5.12 119.66 114.64 2npf s GLN 91 Ca 0.54 -0.45 -0.39 0.00 -1.82 0.00 0.00 55.36 53.24 2npf s GLN 91 Cb 0.27 0.48 -0.15 0.00 -1.09 0.00 0.00 33.01 32.52 2npf s GLN 91 CO -0.01 -0.49 1.91 1.63 -1.32 0.00 0.00 175.29 177.01 2npf n LYS 92 N -0.34 0.99 -4.31 9.60 5.02 -1.26 -4.97 118.16 122.89 2npf n LYS 92 Ca -0.11 0.33 -0.25 0.00 -2.02 0.00 0.00 58.31 56.26 2npf n LYS 92 Cb 0.63 -2.12 -0.13 0.00 -0.02 0.00 0.00 35.03 33.39 2npf n LYS 92 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2npf s THR 93 N 4.83 1.80 -0.45 -0.18 2.01 -1.26 -4.59 115.64 117.81 2npf s THR 93 Ca 1.04 -1.57 0.06 0.00 0.31 0.00 0.00 61.69 61.53 2npf s THR 93 Cb -1.07 -1.63 0.21 0.00 0.01 0.00 0.00 72.50 70.02 2npf s THR 93 CO 0.62 -0.03 0.58 -0.67 -0.69 0.00 0.00 174.62 174.43 2npf n ASP 94 N 1.07 -1.52 0.00 3.53 2.03 -1.26 -5.05 116.55 115.35 2npf n ASP 94 Ca -0.19 -2.75 0.00 0.00 0.52 0.00 0.00 54.79 52.36 2npf n ASP 94 Cb 0.53 0.44 0.00 0.00 -0.72 0.00 0.00 41.12 41.38 2npf n ASP 94 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2npf n GLY 95 N 2.31 0.41 0.00 0.27 0.00 -1.26 -4.88 105.19 102.05 2npf n GLY 95 Ca 0.21 -2.21 0.02 0.00 0.00 0.00 0.00 46.02 44.04 2npf n GLY 95 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2npf n ASN 96 N 0.75 1.24 -4.84 1.61 3.02 -1.26 -5.01 115.26 110.77 2npf n ASN 96 Ca 0.00 -0.43 -0.34 0.00 -0.03 0.00 0.00 54.58 53.78 2npf n ASN 96 Cb 0.00 1.05 -0.06 0.00 -0.61 0.00 0.00 39.78 40.16 2npf n ASN 96 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 2npf s SER 97 N -1.66 6.86 -0.03 6.41 0.01 -1.26 -1.28 113.70 122.75 2npf s SER 97 Ca 0.01 1.32 -0.02 0.00 1.31 0.00 0.00 55.95 58.57 2npf s SER 97 Cb 0.03 -2.39 0.02 0.00 0.21 0.00 0.00 66.02 63.89 2npf s SER 97 CO 0.16 -0.13 0.08 -0.36 0.41 0.00 0.00 173.24 173.40 2npf s PHE 98 N -1.84 -0.08 -0.37 2.43 0.08 -0.39 -4.83 117.98 112.98 2npf s PHE 98 Ca 0.51 0.25 -0.12 0.00 0.12 0.00 0.00 56.93 57.68 2npf s PHE 98 Cb -0.12 -0.05 0.01 0.00 -0.57 0.00 0.00 43.02 42.29 2npf s PHE 98 CO 0.18 -0.08 0.23 -1.17 -0.10 0.00 0.00 175.22 174.29 2npf s LEU 99 N 0.50 4.71 -0.23 -0.37 2.96 -0.21 -1.83 118.68 124.22 2npf s LEU 99 Ca -0.04 -0.81 -0.10 0.00 -0.22 0.00 0.00 54.13 52.96 2npf s LEU 99 Cb -0.05 -2.08 -0.05 0.00 0.50 0.00 0.00 46.19 44.51 2npf s LEU 99 CO -0.02 -0.35 0.14 -0.63 -1.32 0.00 0.00 176.35 174.17 2npf s ILE 100 N 1.62 5.27 -0.30 6.68 -1.09 0.26 -0.44 121.20 133.21 2npf s ILE 100 Ca 0.04 0.15 -0.09 0.00 -2.23 0.00 0.00 60.65 58.51 2npf s ILE 100 Cb -0.19 -3.44 -0.01 0.00 -1.58 0.00 0.00 42.46 37.24 2npf s ILE 100 CO 0.08 0.38 0.14 0.20 -1.23 0.00 0.00 174.94 174.50 2npf s ASN 101 N 0.86 5.48 -0.70 3.58 0.02 0.96 0.14 114.94 125.28 2npf s ASN 101 Ca 0.07 -0.45 -0.13 0.00 -1.02 0.00 0.00 52.86 51.33 2npf s ASN 101 Cb -0.13 -1.99 0.18 0.00 0.02 0.00 0.00 41.25 39.34 2npf s ASN 101 CO 0.03 -0.16 0.63 -0.22 0.02 0.00 0.00 177.10 177.39 2npf s LEU 102 N 1.61 6.35 0.07 0.60 2.96 0.58 -1.43 118.68 129.42 2npf s LEU 102 Ca 0.05 -2.43 -0.31 0.00 -0.22 0.00 0.00 54.13 51.22 2npf s LEU 102 Cb -0.17 -2.15 -0.06 0.00 0.50 0.00 0.00 46.19 44.32 2npf s LEU 102 CO 0.06 -0.62 1.21 -0.63 -1.32 0.00 0.00 176.35 175.04 2npf s ILE 103 N 0.57 3.95 0.42 6.68 1.09 0.06 -1.62 121.20 132.35 2npf s ILE 103 Ca 0.13 1.42 -0.23 0.00 -1.10 0.00 0.00 60.65 60.87 2npf s ILE 103 Cb -0.17 -3.91 -0.09 0.00 -1.06 0.00 0.00 42.46 37.22 2npf s ILE 103 CO -0.05 0.12 1.01 -0.62 -0.10 0.00 0.00 174.94 175.30 2npf s ASP 104 N 0.99 6.77 0.04 3.58 2.15 -0.38 -4.46 116.67 125.36 2npf s ASP 104 Ca 0.59 1.91 0.00 0.00 0.43 0.00 0.00 52.55 55.48 2npf s ASP 104 Cb -0.30 -2.57 0.00 0.00 -0.30 0.00 0.00 42.92 39.75 2npf s ASP 104 CO 0.30 -0.48 0.38 0.47 -0.17 0.00 0.00 175.17 175.67 2npf n ASP 110 N -0.32 0.00 -3.82 -0.34 8.00 -1.26 -4.93 116.55 113.88 2npf n ASP 110 Ca 0.06 0.03 -0.42 0.00 0.71 0.00 0.00 54.79 55.17 2npf n ASP 110 Cb 0.51 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.62 2npf n ASP 110 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 2npf n PHE 111 N -0.80 2.91 0.00 1.24 3.01 -1.25 -3.06 117.46 119.51 2npf n PHE 111 Ca 0.00 -2.80 0.00 0.00 1.01 0.00 0.00 57.45 55.66 2npf n PHE 111 Cb 0.38 -1.96 0.00 0.00 -0.01 0.00 0.00 39.48 37.88 2npf n PHE 111 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 2npf n SER 112 N 3.76 0.00 -0.24 4.37 7.64 -1.13 -0.66 113.62 127.35 2npf n SER 112 Ca 0.42 0.10 0.23 0.00 1.01 0.00 0.00 58.87 60.63 2npf n SER 112 Cb 0.35 0.00 0.41 0.00 -1.01 0.00 0.00 64.21 63.96 2npf n SER 112 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2npf n SER 113 N -0.24 0.20 -0.04 6.43 3.41 -1.26 0.16 113.62 122.28 2npf n SER 113 Ca 0.00 1.03 -0.14 0.00 -0.26 0.00 0.00 58.87 59.50 2npf n SER 113 Cb 0.00 -0.50 -0.08 0.00 -0.26 0.00 0.00 64.21 63.36 2npf n SER 113 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2npf h GLU 114 N 0.00 0.30 0.00 4.33 3.07 -1.39 -2.23 114.58 118.65 2npf h GLU 114 Ca 0.56 -0.19 -0.00 0.00 -0.50 0.00 0.00 59.36 59.23 2npf h GLU 114 Cb 1.60 0.02 0.00 0.00 -0.84 0.00 0.00 28.75 29.53 2npf h GLU 114 CO -0.44 0.78 -0.01 0.28 -1.40 0.00 0.00 179.01 178.22 2npf h VAL 115 N -0.14 1.75 -0.86 3.13 2.07 0.35 -3.26 116.25 119.29 2npf h VAL 115 Ca 0.01 -2.21 0.16 0.00 0.82 0.00 0.00 66.70 65.47 2npf h VAL 115 Cb 0.76 3.25 -0.10 0.00 -1.52 0.00 0.00 31.29 33.68 2npf h VAL 115 CO 0.04 0.57 0.43 0.74 0.02 0.00 0.00 177.57 179.38 2npf h THR 116 N -0.93 0.68 -0.36 2.57 2.02 0.15 0.23 112.91 117.27 2npf h THR 116 Ca -0.00 -0.20 0.05 0.00 0.77 0.00 0.00 66.41 67.03 2npf h THR 116 Cb 0.95 0.05 -0.05 0.00 -1.74 0.00 0.00 68.15 67.36 2npf h THR 116 CO 0.00 0.11 0.08 0.00 0.37 0.00 0.00 175.52 176.07 2npf h ALA 117 N 1.59 0.38 -0.44 6.16 0.00 -1.51 0.32 119.26 125.76 2npf h ALA 117 Ca 0.48 0.07 -0.08 0.00 0.00 0.00 0.00 54.91 55.37 2npf h ALA 117 Cb 0.73 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 2npf h ALA 117 CO -0.39 -0.33 -0.05 0.00 0.00 0.00 0.00 179.25 178.48 2npf h ALA 118 N 1.26 0.60 -0.10 0.00 0.00 -1.03 -2.84 119.26 117.15 2npf h ALA 118 Ca 0.17 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 2npf h ALA 118 Cb 0.19 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2npf h ALA 118 CO -0.21 0.44 -0.15 -0.07 0.00 0.00 0.00 179.25 179.25 2npf h LEU 119 N 0.65 0.15 -1.57 0.00 3.38 -0.05 -2.87 115.31 115.01 2npf h LEU 119 Ca 0.12 -0.03 0.30 0.00 0.09 0.00 0.00 57.88 58.36 2npf h LEU 119 Cb 0.57 -0.04 -0.08 0.00 0.09 0.00 0.00 40.66 41.19 2npf h LEU 119 CO 0.03 0.33 0.73 -0.09 0.09 0.00 0.00 178.44 179.53 2npf h ARG 120 N 0.16 0.25 -0.22 1.13 2.43 -0.11 0.18 114.38 118.18 2npf h ARG 120 Ca 0.03 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 2npf h ARG 120 Cb 0.37 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.86 2npf h ARG 120 CO 0.02 0.16 0.00 1.33 -1.51 0.00 0.00 179.97 179.98 2npf n VAL 121 N -4.49 0.30 -4.42 0.20 0.24 -1.08 -4.86 118.33 104.21 2npf n VAL 121 Ca 0.26 -0.31 -0.29 0.00 -2.04 0.00 0.00 64.34 61.95 2npf n VAL 121 Cb 1.01 0.17 -0.13 0.00 -1.47 0.00 0.00 33.84 33.42 2npf n VAL 121 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 2npf s THR 122 N -1.70 2.38 -0.26 3.34 -4.23 0.61 -4.84 115.64 110.94 2npf s THR 122 Ca 0.19 -1.66 0.09 0.00 -1.18 0.00 0.00 61.69 59.13 2npf s THR 122 Cb 0.10 -2.05 -0.12 0.00 1.34 0.00 0.00 72.50 71.77 2npf s THR 122 CO 0.14 0.12 0.32 0.47 -0.54 0.00 0.00 174.62 175.13 2npf n ASP 123 N 0.98 1.44 -4.36 3.99 8.00 0.84 -4.86 116.55 122.57 2npf n ASP 123 Ca -0.17 -0.41 -0.19 0.00 0.71 0.00 0.00 54.79 54.73 2npf n ASP 123 Cb 0.53 1.19 -0.10 0.00 -0.02 0.00 0.00 41.12 42.71 2npf n ASP 123 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 2npf s GLY 124 N -2.40 1.56 -0.21 0.44 0.00 -0.46 -2.48 107.32 103.77 2npf s GLY 124 Ca 0.01 -1.75 -0.12 0.00 0.00 0.00 0.00 44.72 42.85 2npf s GLY 124 CO 0.39 -1.75 0.51 0.00 0.00 0.00 0.00 173.10 172.25 2npf s ALA 125 N -3.12 -1.36 -0.61 3.20 0.00 -0.90 -2.95 121.76 116.03 2npf s ALA 125 Ca 0.26 1.86 -0.17 0.00 0.00 0.00 0.00 51.96 53.91 2npf s ALA 125 Cb 0.03 -1.12 0.13 0.00 0.00 0.00 0.00 23.12 22.16 2npf s ALA 125 CO 0.08 -0.31 0.63 -1.17 0.00 0.00 0.00 175.76 175.00 2npf s LEU 126 N 1.49 5.90 -0.05 0.00 2.96 -0.37 -1.81 118.68 126.82 2npf s LEU 126 Ca -0.10 -1.76 -0.30 0.00 -0.22 0.00 0.00 54.13 51.75 2npf s LEU 126 Cb -0.07 -2.25 -0.02 0.00 0.50 0.00 0.00 46.19 44.34 2npf s LEU 126 CO -0.15 -0.94 1.00 -0.69 -1.32 0.00 0.00 176.35 174.25 2npf s VAL 127 N 1.90 4.82 -0.15 1.68 1.01 0.68 -0.78 120.40 129.56 2npf s VAL 127 Ca 0.09 2.04 -0.06 0.00 0.00 0.00 0.00 61.98 64.06 2npf s VAL 127 Cb -0.25 -4.31 -0.04 0.00 0.00 0.00 0.00 36.38 31.78 2npf s VAL 127 CO 0.03 0.09 0.04 -0.69 0.00 0.00 0.00 175.10 174.56 2npf s VAL 128 N 1.48 4.62 -0.02 2.92 1.01 0.11 -1.58 120.40 128.93 2npf s VAL 128 Ca 0.50 -0.11 0.02 0.00 0.00 0.00 0.00 61.98 62.40 2npf s VAL 128 Cb -0.20 -3.04 0.01 0.00 0.00 0.00 0.00 36.38 33.15 2npf s VAL 128 CO 0.23 0.51 -0.05 -0.69 0.00 0.00 0.00 175.10 175.10 2npf s VAL 129 N -0.06 0.51 0.31 2.92 1.01 -0.54 -4.44 120.40 120.11 2npf s VAL 129 Ca 0.05 -0.20 -0.28 0.00 0.00 0.00 0.00 61.98 61.56 2npf s VAL 129 Cb -0.12 -0.48 -0.09 0.00 0.00 0.00 0.00 36.38 35.69 2npf s VAL 129 CO 0.01 0.18 1.05 -0.62 0.00 0.00 0.00 175.10 175.72 2npf s ASP 130 N 0.31 7.17 0.14 3.32 2.15 -1.26 0.10 116.67 128.61 2npf s ASP 130 Ca -0.04 2.12 -0.12 0.00 0.43 0.00 0.00 52.55 54.94 2npf s ASP 130 Cb -0.08 -2.61 -0.01 0.00 -0.30 0.00 0.00 42.92 39.93 2npf s ASP 130 CO -0.00 -0.20 1.55 0.74 -0.17 0.00 0.00 175.17 177.08 2npf h THR 131 N 2.79 1.27 0.14 1.71 2.02 -1.39 0.97 112.91 120.42 2npf h THR 131 Ca -0.47 -1.26 -0.01 0.00 0.77 0.00 0.00 66.41 65.44 2npf h THR 131 Cb 1.21 1.15 0.00 0.00 -1.74 0.00 0.00 68.15 68.77 2npf h THR 131 CO 0.65 0.43 -0.07 0.40 0.37 0.00 0.00 175.52 177.31 2npf h ILE 132 N 0.72 0.00 0.00 3.11 1.08 -1.85 -3.33 117.51 117.24 2npf h ILE 132 Ca 0.11 -0.18 0.00 0.00 -0.39 0.00 0.00 64.86 64.41 2npf h ILE 132 Cb 0.68 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.43 2npf h ILE 132 CO 0.05 0.00 0.00 -0.62 -0.69 0.00 0.00 178.15 176.89 2npf n GLU 133 N -2.98 0.06 0.00 2.37 1.02 -1.26 -4.97 120.64 114.88 2npf n GLU 133 Ca -0.02 0.24 0.00 0.00 -0.02 0.00 0.00 57.16 57.36 2npf n GLU 133 Cb 0.07 -1.60 0.00 0.00 -0.02 0.00 0.00 31.44 29.89 2npf n GLU 133 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2npf n GLY 134 N 0.36 0.92 3.73 0.62 0.00 0.33 -4.54 105.19 106.62 2npf n GLY 134 Ca 0.04 -0.59 -0.41 0.00 0.00 0.00 0.00 46.02 45.06 2npf n GLY 134 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2npf s VAL 135 N 0.00 3.92 0.30 1.61 1.01 -1.26 -4.30 120.40 121.68 2npf s VAL 135 Ca 0.00 1.55 0.06 0.00 0.00 0.00 0.00 61.98 63.58 2npf s VAL 135 Cb 0.00 -3.99 -0.02 0.00 0.00 0.00 0.00 36.38 32.37 2npf s VAL 135 CO 0.00 0.21 0.21 0.00 0.00 0.00 0.00 175.10 175.52 2npf h VAL 137 N 1.81 0.00 -0.76 0.00 2.07 -1.98 -0.46 116.25 116.93 2npf h VAL 137 Ca -0.22 0.00 0.32 0.00 0.82 0.00 0.00 66.70 67.62 2npf h VAL 137 Cb 1.02 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 30.66 2npf h VAL 137 CO 0.33 0.00 0.41 1.67 0.02 0.00 0.00 177.57 180.00 2npf n GLN 138 N -3.89 -0.04 0.00 1.57 7.27 -1.26 -0.59 117.38 120.44 2npf n GLN 138 Ca -0.05 1.03 0.00 0.00 0.07 0.00 0.00 57.00 58.04 2npf n GLN 138 Cb 0.22 -1.85 0.00 0.00 2.41 0.00 0.00 30.24 31.02 2npf n GLN 138 CO 0.00 0.00 0.00 2.41 0.07 0.00 0.00 177.06 179.54 2npf n THR 139 N -4.67 0.00 -0.23 1.69 -1.04 -0.78 -1.89 114.28 107.36 2npf n THR 139 Ca 0.28 0.72 0.22 0.00 -2.04 0.00 0.00 64.05 63.24 2npf n THR 139 Cb 0.97 -1.48 0.40 0.00 -1.82 0.00 0.00 70.33 68.40 2npf n THR 139 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 2npf n GLU 140 N -1.36 -0.04 0.18 -2.82 2.13 -0.25 0.21 120.64 118.70 2npf n GLU 140 Ca 0.00 0.91 -0.13 0.00 0.66 0.00 0.00 57.16 58.60 2npf n GLU 140 Cb 0.00 -1.66 -0.08 0.00 0.27 0.00 0.00 31.44 29.97 2npf n GLU 140 CO 0.00 0.00 0.00 1.15 -0.41 0.00 0.00 177.13 177.87 2npf h THR 141 N 0.00 0.61 0.36 6.31 2.02 -0.92 -2.44 112.91 118.85 2npf h THR 141 Ca 0.57 -0.53 -0.02 0.00 0.77 0.00 0.00 66.41 67.21 2npf h THR 141 Cb 1.57 0.86 0.00 0.00 -1.74 0.00 0.00 68.15 68.84 2npf h THR 141 CO -0.48 0.09 -0.17 0.58 0.37 0.00 0.00 175.52 175.91 2npf h VAL 142 N -0.80 0.66 -0.69 3.16 2.07 0.33 -2.07 116.25 118.90 2npf h VAL 142 Ca -0.05 -0.10 0.15 0.00 0.82 0.00 0.00 66.70 67.52 2npf h VAL 142 Cb 0.52 0.71 -0.04 0.00 -1.52 0.00 0.00 31.29 30.96 2npf h VAL 142 CO 0.08 0.02 0.47 0.25 0.02 0.00 0.00 177.57 178.41 2npf h LEU 143 N -0.53 0.29 -0.73 2.57 5.85 -0.98 -0.06 115.31 121.71 2npf h LEU 143 Ca -0.05 0.02 -0.11 0.00 0.84 0.00 0.00 57.88 58.58 2npf h LEU 143 Cb 0.40 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.38 2npf h LEU 143 CO 0.08 0.15 -0.51 0.03 -0.34 0.00 0.00 178.44 177.85 2npf h ARG 144 N 0.31 0.00 -0.23 1.25 3.08 -1.00 -0.30 114.38 117.49 2npf h ARG 144 Ca 0.34 0.00 -0.20 0.00 0.07 0.00 0.00 59.98 60.18 2npf h ARG 144 Cb 0.89 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.94 2npf h ARG 144 CO -0.09 0.51 -0.65 1.96 -1.07 0.00 0.00 179.97 180.63 2npf h GLN 145 N 0.00 0.84 0.82 0.04 4.20 -0.36 -2.02 115.11 118.62 2npf h GLN 145 Ca -0.01 -0.60 -0.04 0.00 0.06 0.00 0.00 58.65 58.07 2npf h GLN 145 Cb 1.07 0.10 0.01 0.00 0.30 0.00 0.00 27.48 28.95 2npf h GLN 145 CO 0.07 1.22 -0.39 0.00 -0.67 0.00 0.00 178.83 179.05 2npf h ALA 146 N 0.64 -1.09 -0.86 3.87 0.00 -1.06 -2.28 119.26 118.48 2npf h ALA 146 Ca -0.02 -0.24 0.17 0.00 0.00 0.00 0.00 54.91 54.82 2npf h ALA 146 Cb 1.27 0.42 -0.06 0.00 0.00 0.00 0.00 17.79 19.42 2npf h ALA 146 CO 0.14 -1.09 0.57 -0.07 0.00 0.00 0.00 179.25 178.80 2npf h LEU 147 N -1.15 0.48 -0.27 0.00 3.38 -1.11 -0.58 115.31 116.06 2npf h LEU 147 Ca -0.11 0.04 0.06 0.00 0.09 0.00 0.00 57.88 57.96 2npf h LEU 147 Cb 0.85 -0.05 -0.08 0.00 0.09 0.00 0.00 40.66 41.47 2npf h LEU 147 CO 0.18 0.22 -0.30 1.23 0.09 0.00 0.00 178.44 179.87 2npf h GLY 148 N 0.50 -0.28 -0.60 0.83 0.00 -0.79 0.32 103.07 103.06 2npf h GLY 148 Ca 0.44 0.37 0.00 0.00 0.00 0.00 0.00 47.33 48.14 2npf h GLY 148 CO -0.18 -0.21 0.00 1.18 0.00 0.00 0.00 176.54 177.34 2npf n GLU 149 N -5.40 0.79 -3.50 4.80 -0.58 -0.24 -4.84 120.64 111.67 2npf n GLU 149 Ca -0.01 0.00 -0.23 0.00 -0.42 0.00 0.00 57.16 56.50 2npf n GLU 149 Cb 0.32 -1.24 0.05 0.00 -0.57 0.00 0.00 31.44 30.01 2npf n GLU 149 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 2npf n ARG 150 N -0.14 -2.21 -4.71 3.49 1.74 0.11 -5.00 116.66 109.95 2npf n ARG 150 Ca 0.00 0.66 -0.33 0.00 -0.77 0.00 0.00 57.85 57.41 2npf n ARG 150 Cb 0.12 -5.01 -0.13 0.00 -1.02 0.00 0.00 32.46 26.42 2npf n ARG 150 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2npf s ILE 151 N -3.45 3.31 0.13 0.55 1.01 -1.10 -4.95 121.20 116.70 2npf s ILE 151 Ca 0.40 -0.59 -0.24 0.00 0.00 0.00 0.00 60.65 60.22 2npf s ILE 151 Cb -0.10 -2.38 -0.07 0.00 0.01 0.00 0.00 42.46 39.92 2npf s ILE 151 CO 0.80 0.55 0.74 -0.75 0.00 0.00 0.00 174.94 176.28 2npf s LYS 152 N -0.07 4.50 0.32 2.79 2.20 -1.04 -4.37 119.74 124.08 2npf s LYS 152 Ca -0.01 1.08 0.07 0.00 -0.36 0.00 0.00 55.97 56.75 2npf s LYS 152 Cb -0.14 -3.28 -0.02 0.00 -1.51 0.00 0.00 37.83 32.88 2npf s LYS 152 CO 0.03 0.52 0.34 -1.25 -0.36 0.00 0.00 175.35 174.64 2npf s PRO 153 N -0.92 2.91 -0.08 4.03 0.04 -1.26 -2.11 135.00 137.61 2npf s PRO 153 Ca 0.35 -1.15 -0.06 0.00 0.04 0.00 0.00 61.00 60.18 2npf s PRO 153 Cb -0.22 -2.62 0.03 0.00 0.04 0.00 0.00 34.50 31.73 2npf s PRO 153 CO 0.25 0.13 0.19 0.14 0.04 0.00 0.00 177.00 177.75 2npf s VAL 154 N -2.23 -0.02 0.10 -0.36 -7.23 -0.75 -4.91 120.40 105.00 2npf s VAL 154 Ca 0.41 0.06 0.04 0.00 -1.81 0.00 0.00 61.98 60.69 2npf s VAL 154 Cb -0.07 -0.29 -0.04 0.00 0.56 0.00 0.00 36.38 36.54 2npf s VAL 154 CO 0.28 0.03 0.03 -0.69 -0.31 0.00 0.00 175.10 174.43 2npf s VAL 155 N 0.54 4.17 -0.16 1.32 1.01 -0.74 -0.23 120.40 126.31 2npf s VAL 155 Ca -0.04 -0.96 -0.04 0.00 0.00 0.00 0.00 61.98 60.95 2npf s VAL 155 Cb -0.05 -3.01 0.05 0.00 0.00 0.00 0.00 36.38 33.38 2npf s VAL 155 CO -0.03 0.10 0.07 -0.69 0.00 0.00 0.00 175.10 174.55 2npf s VAL 156 N -1.38 0.10 -0.48 2.92 1.01 -0.62 0.13 120.40 122.09 2npf s VAL 156 Ca 0.27 -0.19 -0.29 0.00 0.00 0.00 0.00 61.98 61.77 2npf s VAL 156 Cb -0.12 -0.65 0.03 0.00 0.00 0.00 0.00 36.38 35.64 2npf s VAL 156 CO 0.20 -0.18 1.12 -0.63 0.00 0.00 0.00 175.10 175.61 2npf s ILE 157 N 2.06 4.21 0.27 2.22 1.01 0.46 -1.47 121.20 129.96 2npf s ILE 157 Ca 0.02 1.16 0.06 0.00 0.00 0.00 0.00 60.65 61.89 2npf s ILE 157 Cb -0.16 -4.60 -0.03 0.00 0.01 0.00 0.00 42.46 37.69 2npf s ILE 157 CO -0.08 -1.02 0.35 0.21 0.00 0.00 0.00 174.94 174.40 2npf s ASN 158 N 2.48 6.01 -0.64 3.58 2.47 0.29 -1.99 114.94 127.13 2npf s ASN 158 Ca 0.47 -0.09 -0.03 0.00 0.42 0.00 0.00 52.86 53.63 2npf s ASN 158 Cb -0.07 -1.57 0.00 0.00 -1.45 0.00 0.00 41.25 38.16 2npf s ASN 158 CO 0.31 -0.16 0.55 0.29 -3.72 0.00 0.00 177.10 174.38 2npf n LYS 159 N -1.41 -3.72 0.09 0.43 5.02 -1.03 -1.26 118.16 116.28 2npf n LYS 159 Ca -0.06 0.41 -0.07 0.00 -2.02 0.00 0.00 58.31 56.56 2npf n LYS 159 Cb 0.58 -4.15 0.00 0.00 -0.02 0.00 0.00 35.03 31.44 2npf n LYS 159 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2npf h VAL 160 N -1.21 1.52 -0.71 -0.18 2.07 -1.77 -3.13 116.25 112.84 2npf h VAL 160 Ca -0.28 -2.67 0.09 0.00 0.82 0.00 0.00 66.70 64.66 2npf h VAL 160 Cb 1.18 2.47 -0.07 0.00 -1.52 0.00 0.00 31.29 33.35 2npf h VAL 160 CO 0.27 0.77 0.36 -2.24 0.02 0.00 0.00 177.57 176.75 2npf h ASP 161 N 0.07 0.49 -0.44 0.57 -0.00 -1.92 -1.85 116.42 113.35 2npf h ASP 161 Ca -0.03 0.05 0.04 0.00 -0.00 0.00 0.00 57.03 57.09 2npf h ASP 161 Cb 1.48 -0.03 -0.04 0.00 -0.00 0.00 0.00 39.33 40.73 2npf h ASP 161 CO 0.12 0.29 0.20 -0.09 -0.00 0.00 0.00 179.24 179.76 2npf h ARG 162 N 0.63 0.39 -0.57 4.15 2.43 -1.95 -1.45 114.38 118.00 2npf h ARG 162 Ca 0.34 -0.02 0.06 0.00 -0.81 0.00 0.00 59.98 59.55 2npf h ARG 162 Cb 0.33 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.76 2npf h ARG 162 CO -0.25 0.25 0.38 0.00 -1.51 0.00 0.00 179.97 178.85 2npf h ALA 163 N 1.25 1.83 -2.02 2.80 0.00 -1.37 -1.32 119.26 120.44 2npf h ALA 163 Ca 0.19 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2npf h ALA 163 Cb 0.13 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2npf h ALA 163 CO -0.16 0.08 0.00 1.28 0.00 0.00 0.00 179.25 180.45 2npf n LEU 164 N -4.47 1.85 -0.34 0.00 4.77 -0.84 -3.01 117.00 114.96 2npf n LEU 164 Ca 0.08 0.15 0.13 0.00 -0.03 0.00 0.00 56.01 56.34 2npf n LEU 164 Cb 0.23 -0.16 0.26 0.00 -2.33 0.00 0.00 43.42 41.42 2npf n LEU 164 CO 0.34 -0.16 0.78 -0.07 -1.33 0.00 0.00 177.39 176.95 2npf h LEU 165 N 0.00 -0.54 0.00 2.23 4.07 -1.40 0.15 115.31 119.83 2npf h LEU 165 Ca 0.00 0.28 0.00 0.00 0.08 0.00 0.00 57.88 58.24 2npf h LEU 165 Cb 0.00 0.50 0.00 0.00 1.08 0.00 0.00 40.66 42.24 2npf h LEU 165 CO 0.00 -0.34 0.00 1.21 -1.08 0.00 0.00 178.44 178.23 2npf n GLU 166 N -5.50 0.00 0.00 1.13 2.13 -0.50 -4.31 120.64 113.59 2npf n GLU 166 Ca 0.22 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.04 2npf n GLU 166 Cb 0.71 -0.18 0.00 0.00 0.27 0.00 0.00 31.44 32.24 2npf n GLU 166 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 2npf n LEU 167 N -0.05 0.00 -3.84 4.31 4.32 -1.21 -4.86 117.00 115.67 2npf n LEU 167 Ca 0.00 0.26 -0.28 0.00 -0.02 0.00 0.00 56.01 55.97 2npf n LEU 167 Cb 0.00 -0.26 0.00 0.00 -1.62 0.00 0.00 43.42 41.54 2npf n LEU 167 CO 0.00 -0.26 -0.24 1.67 -1.22 0.00 0.00 177.39 177.33 2npf n GLN 168 N -1.26 -1.31 -1.83 3.23 -0.06 0.53 -4.92 117.38 111.76 2npf n GLN 168 Ca 0.00 0.62 -0.30 0.00 -2.00 0.00 0.00 57.00 55.32 2npf n GLN 168 Cb 0.00 -2.21 0.06 0.00 -4.06 0.00 0.00 30.24 24.03 2npf n GLN 168 CO 0.00 0.00 0.00 0.08 -0.20 0.00 0.00 177.06 176.94 2npf s VAL 169 N -3.07 3.33 0.26 1.69 1.01 -1.20 -5.05 120.40 117.37 2npf s VAL 169 Ca 0.08 0.43 0.07 0.00 0.00 0.00 0.00 61.98 62.57 2npf s VAL 169 Cb -0.04 -3.39 -0.04 0.00 0.00 0.00 0.00 36.38 32.91 2npf s VAL 169 CO 0.90 -0.56 0.17 -0.94 0.00 0.00 0.00 175.10 174.67 2npf s SER 170 N -4.30 5.35 0.14 3.32 1.04 -1.26 -4.97 113.70 113.01 2npf s SER 170 Ca 0.59 -0.34 -0.28 0.00 0.48 0.00 0.00 55.95 56.40 2npf s SER 170 Cb -0.12 -1.28 -0.04 0.00 0.10 0.00 0.00 66.02 64.69 2npf s SER 170 CO 0.52 -0.06 1.59 0.11 0.98 0.00 0.00 173.24 176.38 2npf h LYS 171 N 1.53 -0.43 0.00 4.02 1.57 -1.96 -1.80 116.57 119.50 2npf h LYS 171 Ca -0.48 0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.32 2npf h LYS 171 Cb 1.24 0.10 -0.00 0.00 0.08 0.00 0.00 32.23 33.65 2npf h LYS 171 CO 0.61 -0.29 -0.05 1.49 -0.57 0.00 0.00 179.45 180.64 2npf h GLU 172 N -0.45 0.00 0.03 3.15 4.57 -1.96 -1.96 114.58 117.97 2npf h GLU 172 Ca 0.09 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.27 2npf h GLU 172 Cb 0.61 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.20 2npf h GLU 172 CO -0.42 0.05 -0.02 -0.44 -1.18 0.00 0.00 179.01 177.00 2npf h ASP 173 N 0.00 -0.04 0.12 1.04 3.32 -1.75 -2.95 116.42 116.16 2npf h ASP 173 Ca -0.00 -0.59 0.02 0.00 0.02 0.00 0.00 57.03 56.48 2npf h ASP 173 Cb 0.22 0.01 -0.05 0.00 0.22 0.00 0.00 39.33 39.74 2npf h ASP 173 CO 0.01 0.59 -0.42 0.25 -1.72 0.00 0.00 179.24 177.95 2npf h LEU 174 N -0.69 -1.23 -0.92 1.55 5.85 -1.11 -0.57 115.31 118.19 2npf h LEU 174 Ca -0.00 0.14 0.20 0.00 0.84 0.00 0.00 57.88 59.06 2npf h LEU 174 Cb 0.62 0.46 -0.17 0.00 0.37 0.00 0.00 40.66 41.94 2npf h LEU 174 CO 0.01 -0.49 -0.15 0.22 -0.34 0.00 0.00 178.44 177.70 2npf h TYR 175 N -0.65 -0.34 -0.02 1.25 3.20 -1.45 0.57 116.97 119.53 2npf h TYR 175 Ca 0.02 0.08 0.01 0.00 3.14 0.00 0.00 58.73 61.98 2npf h TYR 175 Cb 0.68 0.30 -0.01 0.00 1.54 0.00 0.00 36.73 39.23 2npf h TYR 175 CO -0.37 -0.39 -0.02 0.37 -1.64 0.00 0.00 178.16 176.11 2npf h GLN 176 N 0.01 -0.03 -0.92 1.82 5.75 -1.06 0.14 115.11 120.82 2npf h GLN 176 Ca 0.48 0.00 0.14 0.00 -0.15 0.00 0.00 58.65 59.12 2npf h GLN 176 Cb 0.81 0.01 -0.09 0.00 1.07 0.00 0.00 27.48 29.27 2npf h GLN 176 CO -0.91 -0.02 0.53 1.15 -2.65 0.00 0.00 178.83 176.93 2npf h THR 177 N -0.03 0.80 0.18 2.39 2.02 0.15 0.31 112.91 118.74 2npf h THR 177 Ca 0.02 -0.26 -0.01 0.00 0.77 0.00 0.00 66.41 66.92 2npf h THR 177 Cb 0.05 -0.04 0.00 0.00 -1.74 0.00 0.00 68.15 66.42 2npf h THR 177 CO -0.04 0.14 -0.09 -0.26 0.37 0.00 0.00 175.52 175.64 2npf h PHE 178 N 0.77 -0.23 -0.71 3.16 0.04 -0.41 -1.81 116.94 117.76 2npf h PHE 178 Ca 0.49 -0.01 0.15 0.00 2.80 0.00 0.00 57.97 61.40 2npf h PHE 178 Cb 0.62 0.08 -0.10 0.00 2.20 0.00 0.00 35.95 38.74 2npf h PHE 178 CO -0.05 0.13 0.17 0.00 -0.60 0.00 0.00 178.31 177.96 2npf h ALA 179 N 0.07 0.89 0.02 2.45 0.00 0.14 0.38 119.26 123.21 2npf h ALA 179 Ca -0.03 0.16 0.01 0.00 0.00 0.00 0.00 54.91 55.05 2npf h ALA 179 Cb 0.46 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 2npf h ALA 179 CO 0.04 -0.33 -0.05 0.00 0.00 0.00 0.00 179.25 178.92 2npf h ARG 180 N 0.27 -0.09 -0.27 0.00 3.08 -0.36 -1.55 114.38 115.46 2npf h ARG 180 Ca 0.39 0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.44 2npf h ARG 180 Cb 0.65 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.70 2npf h ARG 180 CO -0.48 -0.06 0.15 1.15 -1.07 0.00 0.00 179.97 179.65 2npf h THR 181 N -0.09 1.12 -0.79 2.04 2.02 -0.24 -1.63 112.91 115.34 2npf h THR 181 Ca 0.01 -0.33 0.06 0.00 0.77 0.00 0.00 66.41 66.92 2npf h THR 181 Cb 0.11 0.85 -0.06 0.00 -1.74 0.00 0.00 68.15 67.30 2npf h THR 181 CO -0.03 0.12 0.47 0.58 0.37 0.00 0.00 175.52 177.03 2npf h VAL 182 N 0.33 1.01 0.68 3.16 2.07 -0.22 -2.40 116.25 120.87 2npf h VAL 182 Ca 0.10 -0.29 -0.03 0.00 0.82 0.00 0.00 66.70 67.29 2npf h VAL 182 Cb 0.07 0.08 0.01 0.00 -1.52 0.00 0.00 31.29 29.92 2npf h VAL 182 CO -0.02 0.16 -0.33 -0.08 0.02 0.00 0.00 177.57 177.32 2npf h GLU 183 N 0.86 -0.88 -0.97 1.57 4.22 -0.97 -2.45 114.58 115.95 2npf h GLU 183 Ca 0.35 0.06 0.26 0.00 0.08 0.00 0.00 59.36 60.11 2npf h GLU 183 Cb 0.19 0.20 -0.18 0.00 0.50 0.00 0.00 28.75 29.46 2npf h GLU 183 CO -0.18 -0.59 0.02 0.77 -2.18 0.00 0.00 179.01 176.85 2npf h SER 184 N -0.94 -0.48 0.70 1.04 0.02 -1.20 0.55 113.55 113.24 2npf h SER 184 Ca -0.09 0.28 -0.03 0.00 -0.84 0.00 0.00 61.79 61.10 2npf h SER 184 Cb 0.70 0.48 -0.00 0.00 0.14 0.00 0.00 62.40 63.72 2npf h SER 184 CO 0.15 -0.34 -0.42 0.58 -1.14 0.00 0.00 176.83 175.66 2npf h VAL 185 N 0.02 0.14 -0.41 2.27 2.07 -1.34 -2.46 116.25 116.55 2npf h VAL 185 Ca 0.59 0.00 0.12 0.00 0.82 0.00 0.00 66.70 68.22 2npf h VAL 185 Cb 1.19 0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 31.09 2npf h VAL 185 CO -0.91 0.00 0.46 0.78 0.02 0.00 0.00 177.57 177.93 2npf h ASN 186 N -1.05 0.00 -0.13 0.57 2.35 -0.43 0.23 115.58 117.12 2npf h ASN 186 Ca -0.09 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.64 2npf h ASN 186 Cb 0.85 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.21 2npf h ASN 186 CO 0.09 0.00 -0.01 0.58 -1.65 0.00 0.00 177.43 176.44 2npf h VAL 187 N 0.00 1.27 -0.77 2.81 2.07 -0.85 -1.14 116.25 119.65 2npf h VAL 187 Ca 0.19 -0.89 -0.02 0.00 0.82 0.00 0.00 66.70 66.80 2npf h VAL 187 Cb 1.12 1.60 -0.04 0.00 -1.52 0.00 0.00 31.29 32.45 2npf h VAL 187 CO -0.00 0.26 0.40 0.40 0.02 0.00 0.00 177.57 178.65 2npf h ILE 188 N -0.04 1.23 0.10 4.57 1.08 -0.43 -2.38 117.51 121.64 2npf h ILE 188 Ca 0.04 -0.60 -0.00 0.00 -0.39 0.00 0.00 64.86 63.90 2npf h ILE 188 Cb 0.41 0.21 0.00 0.00 -3.07 0.00 0.00 36.82 34.37 2npf h ILE 188 CO 0.01 0.27 -0.05 0.58 -0.69 0.00 0.00 178.15 178.27 2npf h VAL 189 N 1.08 0.00 0.00 1.67 2.07 -1.12 -1.00 116.25 118.96 2npf h VAL 189 Ca 0.27 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.75 2npf h VAL 189 Cb 0.05 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.82 2npf h VAL 189 CO -0.04 0.00 0.06 -1.54 0.02 0.00 0.00 177.57 176.07 2npf n SER 190 N -2.45 0.00 -0.09 0.57 3.41 -0.45 0.23 113.62 114.85 2npf n SER 190 Ca -0.02 0.30 -0.18 0.00 -0.26 0.00 0.00 58.87 58.72 2npf n SER 190 Cb 0.05 -0.30 -0.13 0.00 -0.26 0.00 0.00 64.21 63.57 2npf n SER 190 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 2npf n THR 191 N -1.28 1.56 0.12 6.66 -1.04 -0.90 -4.62 114.28 114.78 2npf n THR 191 Ca 0.00 -0.63 0.05 0.00 -2.04 0.00 0.00 64.05 61.42 2npf n THR 191 Cb 0.06 -1.38 -0.07 0.00 -1.82 0.00 0.00 70.33 67.12 2npf n THR 191 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 2npf n TYR 192 N -3.25 0.00 -1.95 -1.42 4.02 -0.39 -5.00 117.16 109.17 2npf n TYR 192 Ca -0.40 0.00 -0.35 0.00 -0.01 0.00 0.00 57.90 57.15 2npf n TYR 192 Cb 1.03 -0.16 0.04 0.00 -0.02 0.00 0.00 39.34 40.22 2npf n TYR 192 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2npf s ALA 193 N -2.45 2.51 0.44 -0.72 0.00 0.64 -4.74 121.76 117.44 2npf s ALA 193 Ca -0.02 0.82 -0.14 0.00 0.00 0.00 0.00 51.96 52.63 2npf s ALA 193 Cb 0.06 -3.39 -0.07 0.00 0.00 0.00 0.00 23.12 19.72 2npf s ALA 193 CO 0.39 -1.17 0.85 -0.51 0.00 0.00 0.00 175.76 175.33 2npf s ASP 194 N -1.95 6.60 0.34 0.00 1.11 -1.26 -4.85 116.67 116.66 2npf s ASP 194 Ca 0.73 1.33 0.18 0.00 0.18 0.00 0.00 52.55 54.97 2npf s ASP 194 Cb -0.26 -2.41 0.35 0.00 1.07 0.00 0.00 42.92 41.68 2npf s ASP 194 CO 0.35 -0.45 1.58 -0.33 1.18 0.00 0.00 175.17 177.50 2npf h GLU 195 N 1.26 0.00 -0.72 8.23 3.07 -1.95 -3.10 114.58 121.37 2npf h GLU 195 Ca -0.47 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.38 2npf h GLU 195 Cb 1.18 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 29.06 2npf h GLU 195 CO 0.63 0.39 0.41 -0.24 -1.40 0.00 0.00 179.01 178.80 2npf h VAL 196 N 0.00 1.22 0.00 3.13 3.04 -2.02 -0.57 116.25 121.04 2npf h VAL 196 Ca -0.00 -0.52 0.00 0.00 -1.01 0.00 0.00 66.70 65.17 2npf h VAL 196 Cb 1.15 0.25 0.00 0.00 -2.01 0.00 0.00 31.29 30.69 2npf h VAL 196 CO 0.05 0.23 0.00 0.18 -1.01 0.00 0.00 177.57 177.02 2npf n LEU 197 N -4.49 0.00 0.00 3.16 4.32 -1.18 -5.01 117.00 113.80 2npf n LEU 197 Ca 0.06 0.36 0.00 0.00 -0.02 0.00 0.00 56.01 56.41 2npf n LEU 197 Cb 0.08 -0.36 0.00 0.00 -1.62 0.00 0.00 43.42 41.52 2npf n LEU 197 CO 0.37 -0.05 0.00 0.61 -1.22 0.00 0.00 177.39 177.11 2npf n GLY 198 N 1.01 0.09 3.65 -0.72 0.00 -0.22 -4.51 105.19 104.49 2npf n GLY 198 Ca 0.10 -0.96 -0.42 0.00 0.00 0.00 0.00 46.02 44.74 2npf n GLY 198 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2npf s ASP 199 N -4.00 6.60 -0.06 1.61 2.15 -1.26 -4.76 116.67 116.94 2npf s ASP 199 Ca 0.00 2.16 0.09 0.00 0.43 0.00 0.00 52.55 55.23 2npf s ASP 199 Cb 0.00 -2.53 0.14 0.00 -0.30 0.00 0.00 42.92 40.23 2npf s ASP 199 CO 0.00 -1.00 1.07 0.55 -0.17 0.00 0.00 175.17 175.62 2npf n VAL 200 N 5.65 1.41 -0.84 1.11 3.14 -1.26 -5.05 118.33 122.49 2npf n VAL 200 Ca 0.18 -1.59 -0.30 0.00 -2.96 0.00 0.00 64.34 59.66 2npf n VAL 200 Cb 0.43 0.15 0.16 0.00 -1.06 0.00 0.00 33.84 33.52 2npf n VAL 200 CO 0.00 0.00 0.00 -1.10 -6.46 0.00 0.00 176.83 169.27 2npf s GLN 201 N -1.89 0.97 -0.15 1.45 -0.21 -1.26 -4.68 119.66 113.89 2npf s GLN 201 Ca 0.16 1.28 -0.06 0.00 0.02 0.00 0.00 55.36 56.76 2npf s GLN 201 Cb 0.14 -1.74 -0.04 0.00 1.00 0.00 0.00 33.01 32.37 2npf s GLN 201 CO 0.01 -2.58 0.06 0.08 -2.12 0.00 0.00 175.29 170.75 2npf s VAL 202 N -2.70 4.81 -0.11 1.09 1.01 -1.26 -5.08 120.40 118.16 2npf s VAL 202 Ca 0.66 -0.04 0.01 0.00 0.00 0.00 0.00 61.98 62.61 2npf s VAL 202 Cb -0.21 -3.13 0.02 0.00 0.00 0.00 0.00 36.38 33.06 2npf s VAL 202 CO 0.59 0.52 -0.14 -0.31 0.00 0.00 0.00 175.10 175.76 2npf s TYR 203 N -0.13 1.89 0.22 5.22 2.02 -1.26 -4.92 117.35 120.39 2npf s TYR 203 Ca 0.07 -0.91 -0.08 0.00 -0.37 0.00 0.00 57.07 55.78 2npf s TYR 203 Cb -0.12 -1.39 0.26 0.00 -0.40 0.00 0.00 41.96 40.30 2npf s TYR 203 CO 0.01 -0.49 1.85 -1.35 -1.57 0.00 0.00 175.55 173.99 2npf h PRO 204 N 7.58 0.87 -1.00 -1.71 0.11 -1.93 -2.49 132.00 133.43 2npf h PRO 204 Ca -0.32 -0.05 0.05 0.00 0.11 0.00 0.00 66.00 65.78 2npf h PRO 204 Cb 1.16 -0.20 -0.06 0.00 0.11 0.00 0.00 31.00 32.02 2npf h PRO 204 CO 0.48 0.57 0.65 0.00 -0.21 0.00 0.00 178.00 179.50 2npf h ALA 205 N 1.35 1.37 0.00 -0.75 0.00 -1.95 -1.04 119.26 118.24 2npf h ALA 205 Ca 0.32 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.19 2npf h ALA 205 Cb 0.10 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.55 2npf h ALA 205 CO -0.14 0.52 0.00 0.54 0.00 0.00 0.00 179.25 180.16 2npf n ARG 206 N -4.46 0.78 -2.87 0.00 1.74 -0.94 -4.64 116.66 106.27 2npf n ARG 206 Ca 0.14 0.00 -0.10 0.00 -0.77 0.00 0.00 57.85 57.12 2npf n ARG 206 Cb 0.12 -1.32 0.05 0.00 -1.02 0.00 0.00 32.46 30.29 2npf n ARG 206 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2npf n GLY 207 N 0.47 0.05 0.00 -0.13 0.00 -0.39 -4.95 105.19 100.24 2npf n GLY 207 Ca 0.12 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.97 2npf n GLY 207 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2npf n THR 208 N -3.06 0.00 -5.04 2.61 -2.24 -1.18 -4.75 114.28 100.62 2npf n THR 208 Ca -0.10 -0.39 -0.32 0.00 -2.27 0.00 0.00 64.05 60.96 2npf n THR 208 Cb 0.57 1.14 -0.15 0.00 -2.10 0.00 0.00 70.33 69.80 2npf n THR 208 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2npf s VAL 209 N -0.25 2.64 0.03 2.28 1.01 -1.26 -1.78 120.40 123.06 2npf s VAL 209 Ca 0.00 -0.87 0.08 0.00 0.00 0.00 0.00 61.98 61.19 2npf s VAL 209 Cb 0.00 -2.01 -0.02 0.00 0.00 0.00 0.00 36.38 34.35 2npf s VAL 209 CO 0.00 0.58 -0.23 0.00 0.00 0.00 0.00 175.10 175.45 2npf s ALA 210 N -0.46 1.95 -0.06 5.51 0.00 0.36 -4.52 121.76 124.54 2npf s ALA 210 Ca 0.05 -1.10 0.04 0.00 0.00 0.00 0.00 51.96 50.96 2npf s ALA 210 Cb -0.12 -0.42 -0.00 0.00 0.00 0.00 0.00 23.12 22.58 2npf s ALA 210 CO 0.01 0.46 -0.20 -0.06 0.00 0.00 0.00 175.76 175.97 2npf s PHE 211 N -0.73 2.06 -2.15 0.00 0.08 -0.56 0.18 117.98 116.85 2npf s PHE 211 Ca 0.09 -0.68 0.00 0.00 0.12 0.00 0.00 56.93 56.47 2npf s PHE 211 Cb -0.09 -1.38 0.00 0.00 -0.57 0.00 0.00 43.02 40.98 2npf s PHE 211 CO 0.01 -0.25 0.00 0.41 -0.10 0.00 0.00 175.22 175.30 2npf n GLY 212 N 3.25 -1.80 3.22 4.36 0.00 -0.84 0.15 105.19 113.53 2npf n GLY 212 Ca -0.19 -1.12 -0.36 0.00 0.00 0.00 0.00 46.02 44.35 2npf n GLY 212 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2npf s SER 213 N -0.63 5.12 0.15 1.61 0.15 0.17 -2.47 113.70 117.80 2npf s SER 213 Ca 0.00 -1.22 -0.16 0.00 0.70 0.00 0.00 55.95 55.27 2npf s SER 213 Cb 0.00 -1.80 0.02 0.00 -1.71 0.00 0.00 66.02 62.53 2npf s SER 213 CO 0.00 -0.30 1.80 1.23 1.20 0.00 0.00 173.24 177.17 2npf h GLY 214 N 8.12 0.53 0.92 9.45 0.00 -1.95 -1.82 103.07 118.32 2npf h GLY 214 Ca -0.22 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 46.93 2npf h GLY 214 CO 0.57 0.17 -0.06 -2.00 0.00 0.00 0.00 176.54 175.22 2npf h LEU 215 N 0.48 -0.15 0.00 3.11 5.85 -1.94 -2.87 115.31 119.79 2npf h LEU 215 Ca 0.14 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.88 2npf h LEU 215 Cb -0.02 0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.06 2npf h LEU 215 CO -0.05 -0.09 0.00 1.41 -0.34 0.00 0.00 178.44 179.37 2npf n HIS 216 N -5.17 0.00 -2.71 1.25 8.25 -1.16 -4.93 115.22 110.75 2npf n HIS 216 Ca -0.07 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.32 2npf n HIS 216 Cb 0.10 -0.38 0.03 0.00 1.12 0.00 0.00 29.99 30.85 2npf n HIS 216 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2npf n GLY 217 N 0.61 0.39 3.25 -1.41 0.00 -0.72 -4.52 105.19 102.81 2npf n GLY 217 Ca 0.08 -0.36 -0.13 0.00 0.00 0.00 0.00 46.02 45.62 2npf n GLY 217 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 2npf s TRP 218 N -3.10 -0.43 0.20 1.61 1.48 -1.01 -2.61 118.94 115.07 2npf s TRP 218 Ca 0.12 1.03 -0.17 0.00 -1.06 0.00 0.00 56.10 56.03 2npf s TRP 218 Cb -0.05 0.15 0.02 0.00 -1.16 0.00 0.00 33.47 32.43 2npf s TRP 218 CO 0.23 -0.22 0.51 0.00 -4.06 0.00 0.00 176.95 173.41 2npf s ALA 219 N 0.42 -0.81 0.17 2.67 0.00 -0.36 0.41 121.76 124.27 2npf s ALA 219 Ca -0.02 -0.34 -0.19 0.00 0.00 0.00 0.00 51.96 51.41 2npf s ALA 219 Cb -0.04 0.87 0.04 0.00 0.00 0.00 0.00 23.12 24.00 2npf s ALA 219 CO -0.02 -0.81 0.51 -0.59 0.00 0.00 0.00 175.76 174.85 2npf s PHE 220 N -3.90 -0.26 0.05 0.00 -0.12 0.12 -4.45 117.98 109.43 2npf s PHE 220 Ca 0.11 -0.04 0.05 0.00 -0.05 0.00 0.00 56.93 57.00 2npf s PHE 220 Cb -0.01 0.41 -0.03 0.00 -0.63 0.00 0.00 43.02 42.76 2npf s PHE 220 CO -0.01 -0.84 -0.14 0.95 -0.05 0.00 0.00 175.22 175.13 2npf s THR 221 N -3.82 1.10 0.34 -4.49 -4.23 -1.26 -1.50 115.64 101.78 2npf s THR 221 Ca 0.05 -1.14 0.11 0.00 -1.18 0.00 0.00 61.69 59.53 2npf s THR 221 Cb -0.00 -1.03 0.33 0.00 1.34 0.00 0.00 72.50 73.14 2npf s THR 221 CO -0.08 -0.11 1.77 0.40 -0.54 0.00 0.00 174.62 176.06 2npf h ILE 222 N 4.41 0.62 -0.11 2.99 1.08 -1.79 0.31 117.51 125.01 2npf h ILE 222 Ca -0.39 -0.20 -0.05 0.00 -0.39 0.00 0.00 64.86 63.83 2npf h ILE 222 Cb 1.19 -0.03 -0.01 0.00 -3.07 0.00 0.00 36.82 34.90 2npf h ILE 222 CO 0.42 0.11 -0.14 -0.09 -0.69 0.00 0.00 178.15 177.76 2npf h ARG 223 N 0.59 0.17 -0.29 2.37 2.43 -1.82 0.12 114.38 117.95 2npf h ARG 223 Ca 0.59 -0.04 -0.05 0.00 -0.81 0.00 0.00 59.98 59.67 2npf h ARG 223 Cb 1.15 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.67 2npf h ARG 223 CO -0.36 0.32 -0.01 1.96 -1.51 0.00 0.00 179.97 180.37 2npf h GLN 224 N 0.16 0.52 0.08 0.20 4.20 -0.78 -0.65 115.11 118.84 2npf h GLN 224 Ca 0.03 -0.17 -0.25 0.00 0.06 0.00 0.00 58.65 58.32 2npf h GLN 224 Cb 0.35 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.08 2npf h GLN 224 CO 0.02 0.68 -1.15 0.74 -0.67 0.00 0.00 178.83 178.45 2npf h PHE 225 N 0.31 0.31 -0.18 2.96 -1.00 -1.42 -2.59 116.94 115.33 2npf h PHE 225 Ca 0.08 -0.22 -0.05 0.00 2.81 0.00 0.00 57.97 60.59 2npf h PHE 225 Cb 0.44 -0.01 -0.01 0.00 3.61 0.00 0.00 35.95 39.98 2npf h PHE 225 CO 0.04 1.17 -0.12 0.00 -1.61 0.00 0.00 178.31 177.79 2npf h ALA 226 N 0.74 1.47 0.00 2.45 0.00 -0.73 -0.31 119.26 122.88 2npf h ALA 226 Ca -0.09 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.52 2npf h ALA 226 Cb 1.90 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.58 2npf h ALA 226 CO 0.18 0.37 -0.50 1.15 0.00 0.00 0.00 179.25 180.45 2npf h THR 227 N 0.27 0.67 0.19 0.00 2.02 -1.12 -2.80 112.91 112.14 2npf h THR 227 Ca 0.05 -1.96 -0.01 0.00 0.77 0.00 0.00 66.41 65.26 2npf h THR 227 Cb 0.39 2.30 0.00 0.00 -1.74 0.00 0.00 68.15 69.10 2npf h THR 227 CO 0.02 0.38 -0.09 0.03 0.37 0.00 0.00 175.52 176.23 2npf h ARG 228 N 0.00 -0.24 -0.01 6.66 3.08 -0.88 -3.07 114.38 119.93 2npf h ARG 228 Ca -0.02 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2npf h ARG 228 Cb 1.33 0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.43 2npf h ARG 228 CO 0.05 -0.16 0.00 0.66 -1.07 0.00 0.00 179.97 179.45 2npf n TYR 229 N -3.30 0.00 -0.09 3.04 4.01 -0.23 -2.82 117.16 117.78 2npf n TYR 229 Ca -0.03 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.50 2npf n TYR 229 Cb 0.10 -0.00 -0.12 0.00 -0.31 0.00 0.00 39.34 39.00 2npf n TYR 229 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2npf n ALA 230 N -0.47 1.19 0.49 -0.72 0.00 -1.05 -4.61 120.51 115.34 2npf n ALA 230 Ca 0.00 -0.91 0.06 0.00 0.00 0.00 0.00 53.44 52.59 2npf n ALA 230 Cb 0.00 -0.28 -0.07 0.00 0.00 0.00 0.00 19.45 19.10 2npf n ALA 230 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2npf n LYS 231 N -3.54 2.85 0.00 0.00 5.02 -1.17 -3.30 118.16 118.02 2npf n LYS 231 Ca -0.42 -0.01 0.00 0.00 -2.02 0.00 0.00 58.31 55.86 2npf n LYS 231 Cb 0.97 -1.07 0.00 0.00 -0.02 0.00 0.00 35.03 34.91 2npf n LYS 231 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2npf n LYS 232 N -1.35 0.70 0.00 1.97 5.02 -1.13 -4.51 118.16 118.87 2npf n LYS 232 Ca 0.02 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.31 2npf n LYS 232 Cb 0.20 -1.33 0.00 0.00 -0.02 0.00 0.00 35.03 33.88 2npf n LYS 232 CO 0.00 0.00 0.00 1.97 -0.52 0.00 0.00 177.40 178.85 2npf n PHE 233 N 0.11 0.00 -1.62 2.13 1.16 -1.26 -5.04 117.46 112.94 2npf n PHE 233 Ca 0.00 0.00 -0.47 0.00 -1.87 0.00 0.00 57.45 55.11 2npf n PHE 233 Cb 0.16 0.00 -0.03 0.00 -1.61 0.00 0.00 39.48 38.00 2npf n PHE 233 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 2npf n GLY 234 N -0.40 0.35 0.00 4.97 0.00 -1.26 -4.47 105.19 104.38 2npf n GLY 234 Ca 0.00 0.51 0.00 0.00 0.00 0.00 0.00 46.02 46.53 2npf n GLY 234 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2npf n VAL 235 N 1.65 0.00 -1.70 1.61 0.31 -1.21 -5.02 118.33 113.97 2npf n VAL 235 Ca 0.13 0.00 -0.44 0.00 -0.01 0.00 0.00 64.34 64.03 2npf n VAL 235 Cb 0.28 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 33.18 2npf n VAL 235 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 2npf n ASP 236 N 0.00 3.42 -0.31 4.52 3.85 -1.26 -4.69 116.55 122.08 2npf n ASP 236 Ca 0.00 1.10 -0.05 0.00 -0.71 0.00 0.00 54.79 55.14 2npf n ASP 236 Cb 0.00 -1.50 0.08 0.00 -1.35 0.00 0.00 41.12 38.35 2npf n ASP 236 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.20 176.26 2npf h LYS 237 N 5.55 1.19 -0.77 0.11 2.10 -1.89 -2.99 116.57 119.87 2npf h LYS 237 Ca -0.45 -0.15 0.14 0.00 -2.00 0.00 0.00 60.65 58.19 2npf h LYS 237 Cb 1.24 -0.23 -0.14 0.00 -0.90 0.00 0.00 32.23 32.20 2npf h LYS 237 CO 0.86 0.89 -0.28 0.00 -2.00 0.00 0.00 179.45 178.91 2npf h ALA 238 N 1.24 0.27 -0.32 0.07 0.00 -1.93 -0.02 119.26 118.56 2npf h ALA 238 Ca 0.29 0.26 -0.11 0.00 0.00 0.00 0.00 54.91 55.35 2npf h ALA 238 Cb 0.06 0.75 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 2npf h ALA 238 CO -0.04 -0.54 -0.21 -0.22 0.00 0.00 0.00 179.25 178.23 2npf h LYS 239 N -0.06 0.72 0.72 0.00 1.63 -1.93 -3.29 116.57 114.35 2npf h LYS 239 Ca 0.33 -0.34 -0.03 0.00 -0.85 0.00 0.00 60.65 59.76 2npf h LYS 239 Cb 0.58 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 32.20 2npf h LYS 239 CO -0.81 0.95 -0.48 1.98 -3.45 0.00 0.00 179.45 177.64 2npf h MET 240 N 0.48 -1.09 0.00 1.90 4.05 -0.98 -2.52 114.93 116.77 2npf h MET 240 Ca 0.06 0.07 0.00 0.00 -0.28 0.00 0.00 59.70 59.56 2npf h MET 240 Cb 0.77 0.25 0.00 0.00 -0.80 0.00 0.00 31.60 31.81 2npf h MET 240 CO 0.06 -0.73 0.00 0.00 0.23 0.00 0.00 176.91 176.47 2npf n MET 241 N -5.60 0.00 0.03 0.39 0.00 -0.18 0.90 117.12 112.67 2npf n MET 241 Ca -0.14 0.50 -0.06 0.00 0.00 0.00 0.00 57.70 58.00 2npf n MET 241 Cb 0.48 -1.51 -0.11 0.00 0.00 0.00 0.00 33.22 32.08 2npf n MET 241 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 175.97 175.53 2npf h ASP 242 N 0.00 0.00 0.31 3.17 3.32 -1.53 -3.31 116.42 118.38 2npf h ASP 242 Ca 0.00 0.00 -0.33 0.00 0.02 0.00 0.00 57.03 56.72 2npf h ASP 242 Cb 0.00 0.00 0.03 0.00 0.22 0.00 0.00 39.33 39.58 2npf h ASP 242 CO 0.00 0.92 -1.48 0.03 -1.72 0.00 0.00 179.24 176.99 2npf h ARG 243 N 0.00 0.50 0.00 3.56 2.47 0.76 -3.30 114.38 118.37 2npf h ARG 243 Ca -0.13 -0.85 0.00 0.00 -1.26 0.00 0.00 59.98 57.74 2npf h ARG 243 Cb 1.82 0.32 0.00 0.00 -1.65 0.00 0.00 29.97 30.45 2npf h ARG 243 CO 0.10 1.40 0.00 1.28 0.56 0.00 0.00 179.97 183.31 2npf n LEU 244 N -3.68 0.00 -3.68 3.04 4.77 0.82 -4.44 117.00 113.83 2npf n LEU 244 Ca -0.17 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.67 2npf n LEU 244 Cb 1.09 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 42.11 2npf n LEU 244 CO 0.59 0.00 0.17 0.86 -1.33 0.00 0.00 177.39 177.68 2npf s TRP 245 N -2.00 -0.36 0.00 -1.77 -0.11 -1.24 -3.50 118.94 109.95 2npf s TRP 245 Ca 0.02 0.61 0.00 0.00 1.22 0.00 0.00 56.10 57.96 2npf s TRP 245 Cb 0.01 0.21 0.00 0.00 -1.50 0.00 0.00 33.47 32.19 2npf s TRP 245 CO 0.02 -0.46 0.00 0.41 -4.62 0.00 0.00 176.95 172.30 2npf n GLY 246 N 1.24 -2.39 2.81 5.86 0.00 -1.26 -4.42 105.19 107.03 2npf n GLY 246 Ca -0.20 -1.57 -0.20 0.00 0.00 0.00 0.00 46.02 44.05 2npf n GLY 246 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2npf n ASP 247 N -0.66 3.18 -3.95 1.61 8.00 -1.26 -4.63 116.55 118.83 2npf n ASP 247 Ca 0.00 -2.29 -0.27 0.00 0.71 0.00 0.00 54.79 52.94 2npf n ASP 247 Cb 0.00 -0.92 -0.17 0.00 -0.02 0.00 0.00 41.12 40.02 2npf n ASP 247 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 2npf s SER 248 N 4.18 2.24 0.49 -2.24 0.15 -1.26 -4.28 113.70 112.98 2npf s SER 248 Ca 0.33 -0.34 0.02 0.00 0.70 0.00 0.00 55.95 56.65 2npf s SER 248 Cb 0.08 -0.92 -0.02 0.00 -1.71 0.00 0.00 66.02 63.45 2npf s SER 248 CO 0.01 -0.08 0.01 -0.36 1.20 0.00 0.00 173.24 174.02 2npf s PHE 249 N 1.50 1.97 -0.15 3.44 0.40 -0.65 -1.49 117.98 123.01 2npf s PHE 249 Ca 0.02 -0.92 -0.04 0.00 -0.60 0.00 0.00 56.93 55.39 2npf s PHE 249 Cb -0.13 -1.62 0.07 0.00 0.51 0.00 0.00 43.02 41.85 2npf s PHE 249 CO -0.07 0.25 0.16 0.12 0.70 0.00 0.00 175.22 176.38 2npf s PHE 250 N -2.87 -0.12 -0.43 0.36 5.36 -1.25 -3.27 117.98 115.76 2npf s PHE 250 Ca 0.11 0.25 -0.24 0.00 -0.96 0.00 0.00 56.93 56.09 2npf s PHE 250 Cb 0.03 -0.40 0.02 0.00 -0.34 0.00 0.00 43.02 42.33 2npf s PHE 250 CO 0.06 -0.45 0.85 1.21 -1.46 0.00 0.00 175.22 175.43 2npf s ASN 251 N 2.27 6.50 0.21 6.13 3.84 -0.81 -4.75 114.94 128.33 2npf s ASN 251 Ca 0.04 0.14 -0.09 0.00 0.21 0.00 0.00 52.86 53.17 2npf s ASN 251 Cb -0.14 -2.42 0.27 0.00 -0.55 0.00 0.00 41.25 38.41 2npf s ASN 251 CO -0.09 -0.92 1.80 -0.65 -2.79 0.00 0.00 177.10 174.45 2npf h PRO 252 N 8.86 0.63 0.18 0.43 0.11 -1.96 0.84 132.00 141.08 2npf h PRO 252 Ca -0.24 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.82 2npf h PRO 252 Cb 1.08 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.05 2npf h PRO 252 CO 0.98 0.41 -0.08 0.87 -0.21 0.00 0.00 178.00 179.97 2npf h LYS 253 N 0.64 -0.23 0.00 1.05 1.79 -1.96 -3.07 116.57 114.79 2npf h LYS 253 Ca 0.31 0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.80 2npf h LYS 253 Cb 0.25 0.05 0.00 0.00 -1.58 0.00 0.00 32.23 30.95 2npf h LYS 253 CO -0.21 -0.15 0.14 1.79 -1.08 0.00 0.00 179.45 179.93 2npf h THR 254 N -0.28 0.00 -1.24 -0.16 1.35 -1.99 -3.44 112.91 107.15 2npf h THR 254 Ca -0.02 0.00 -0.42 0.00 -0.55 0.00 0.00 66.41 65.42 2npf h THR 254 Cb 0.18 0.75 -0.15 0.00 -1.73 0.00 0.00 68.15 67.21 2npf h THR 254 CO 0.04 0.00 -0.40 0.29 -0.25 0.00 0.00 175.52 175.20 2npf n LYS 255 N -2.81 -1.48 -4.67 4.72 4.76 0.28 -4.94 118.16 114.02 2npf n LYS 255 Ca -0.02 1.19 -0.30 0.00 -2.87 0.00 0.00 58.31 56.30 2npf n LYS 255 Cb 0.19 -5.60 -0.08 0.00 -1.84 0.00 0.00 35.03 27.71 2npf n LYS 255 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 2npf s LYS 256 N -3.87 2.10 0.31 1.97 1.02 -1.19 -4.98 119.74 115.10 2npf s LYS 256 Ca 0.00 -2.32 0.05 0.00 0.02 0.00 0.00 55.97 53.72 2npf s LYS 256 Cb 0.00 -1.19 0.05 0.00 -0.52 0.00 0.00 37.83 36.17 2npf s LYS 256 CO 0.00 -0.40 0.39 0.91 -0.92 0.00 0.00 175.35 175.33 2npf n TRP 257 N -1.13 -2.26 -3.60 3.18 7.02 -1.26 -1.92 117.44 117.47 2npf n TRP 257 Ca -0.14 -1.18 0.04 0.00 -1.02 0.00 0.00 57.50 55.20 2npf n TRP 257 Cb 0.66 -0.29 0.00 0.00 -2.42 0.00 0.00 31.31 29.26 2npf n TRP 257 CO 0.00 0.00 0.00 -0.08 -2.02 0.00 0.00 177.69 175.59 2npf s THR 258 N -1.08 0.00 -0.22 -0.99 -1.32 -1.20 -4.86 115.64 105.97 2npf s THR 258 Ca 0.30 -0.01 0.18 0.00 -1.21 0.00 0.00 61.69 60.95 2npf s THR 258 Cb -0.02 -2.10 0.47 0.00 -1.51 0.00 0.00 72.50 69.34 2npf s THR 258 CO 0.19 0.00 1.15 0.59 -2.21 0.00 0.00 174.62 174.34 2npf n ASN 259 N -0.55 2.33 -4.13 8.08 3.02 -1.26 -1.63 115.26 121.11 2npf n ASN 259 Ca -0.08 -2.64 -0.18 0.00 -0.03 0.00 0.00 54.58 51.65 2npf n ASN 259 Cb 0.63 -0.42 -0.12 0.00 -0.61 0.00 0.00 39.78 39.26 2npf n ASN 259 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2npf s LYS 260 N -3.01 0.77 0.00 3.52 1.02 -1.26 -4.88 119.74 115.90 2npf s LYS 260 Ca 0.35 -0.84 0.19 0.00 0.02 0.00 0.00 55.97 55.69 2npf s LYS 260 Cb 0.36 -0.73 0.52 0.00 -0.52 0.00 0.00 37.83 37.47 2npf s LYS 260 CO -0.05 0.16 1.43 -0.40 -0.92 0.00 0.00 175.35 175.58 2npf n ASP 261 N 1.52 2.64 -3.77 2.83 5.68 -1.26 -4.67 116.55 119.53 2npf n ASP 261 Ca -0.20 -1.93 -0.13 0.00 -0.50 0.00 0.00 54.79 52.03 2npf n ASP 261 Cb 0.54 -0.26 -0.11 0.00 -1.14 0.00 0.00 41.12 40.15 2npf n ASP 261 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 2npf s THR 262 N -1.47 0.00 0.00 2.12 -4.23 -1.26 -1.63 115.64 109.17 2npf s THR 262 Ca 0.35 -0.01 0.00 0.00 -1.18 0.00 0.00 61.69 60.85 2npf s THR 262 Cb 0.19 -0.45 0.00 0.00 1.34 0.00 0.00 72.50 73.58 2npf s THR 262 CO 0.26 -0.01 0.00 -0.90 -0.54 0.00 0.00 174.62 173.43 2npf n ASP 263 N 2.87 0.00 -0.29 3.99 5.68 -0.47 -4.76 116.55 123.57 2npf n ASP 263 Ca -0.13 -0.50 0.03 0.00 -0.50 0.00 0.00 54.79 53.69 2npf n ASP 263 Cb 0.58 0.00 0.16 0.00 -1.14 0.00 0.00 41.12 40.72 2npf n ASP 263 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2npf h ALA 264 N -1.95 1.17 -0.05 2.12 0.00 -2.03 0.22 119.26 118.73 2npf h ALA 264 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2npf h ALA 264 Cb 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.65 2npf h ALA 264 CO 0.00 0.11 0.00 0.39 0.00 0.00 0.00 179.25 179.75 2npf n GLU 265 N -4.73 1.14 -0.57 0.00 4.71 -1.26 -4.85 120.64 115.08 2npf n GLU 265 Ca 0.13 -0.21 0.00 0.00 -0.01 0.00 0.00 57.16 57.07 2npf n GLU 265 Cb 0.26 -1.10 0.00 0.00 -1.01 0.00 0.00 31.44 29.59 2npf n GLU 265 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2npf n GLY 266 N 0.65 1.08 3.76 0.62 0.00 0.76 -4.97 105.19 107.09 2npf n GLY 266 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 2npf n GLY 266 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2npf s LYS 267 N -0.23 4.15 0.18 1.61 1.02 -1.26 -4.45 119.74 120.75 2npf s LYS 267 Ca 0.00 2.53 -0.33 0.00 0.02 0.00 0.00 55.97 58.18 2npf s LYS 267 Cb 0.00 -3.01 -0.14 0.00 -0.52 0.00 0.00 37.83 34.17 2npf s LYS 267 CO 0.00 -0.54 1.57 -2.30 -0.92 0.00 0.00 175.35 173.16 2npf n PRO 268 N 1.32 2.21 -4.70 -1.68 -0.02 -1.26 -1.37 135.00 129.50 2npf n PRO 268 Ca 0.04 0.80 -0.31 0.00 -2.02 0.00 0.00 63.50 62.00 2npf n PRO 268 Cb 0.39 -2.56 -0.12 0.00 -0.02 0.00 0.00 33.50 31.19 2npf n PRO 268 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2npf s LEU 269 N 0.77 2.71 0.12 2.45 1.43 -0.65 -4.87 118.68 120.65 2npf s LEU 269 Ca 0.76 -0.33 -0.23 0.00 -1.03 0.00 0.00 54.13 53.31 2npf s LEU 269 Cb -0.65 -1.57 -0.07 0.00 0.03 0.00 0.00 46.19 43.92 2npf s LEU 269 CO 0.39 0.28 0.68 -0.70 0.23 0.00 0.00 176.35 177.24 2npf s GLU 270 N -1.25 4.40 0.89 1.70 2.56 -1.26 -4.73 118.70 121.00 2npf s GLU 270 Ca 0.14 0.96 -0.13 0.00 0.00 0.00 0.00 54.97 55.94 2npf s GLU 270 Cb -0.11 -3.26 0.05 0.00 2.00 0.00 0.00 34.13 32.82 2npf s GLU 270 CO 0.04 0.58 0.70 -2.13 -0.56 0.00 0.00 175.26 173.89 2npf n ARG 271 N 1.73 -0.16 -0.06 4.30 0.63 -1.26 -3.88 116.66 117.97 2npf n ARG 271 Ca -0.08 0.01 -0.14 0.00 -0.92 0.00 0.00 57.85 56.73 2npf n ARG 271 Cb 0.50 -2.05 -0.07 0.00 0.45 0.00 0.00 32.46 31.29 2npf n ARG 271 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2npf h ALA 272 N -1.34 0.26 -0.29 5.13 0.00 -1.49 -2.68 119.26 118.86 2npf h ALA 272 Ca -0.44 -0.38 0.06 0.00 0.00 0.00 0.00 54.91 54.15 2npf h ALA 272 Cb 1.29 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.97 2npf h ALA 272 CO 0.39 0.23 -0.08 0.35 0.00 0.00 0.00 179.25 180.13 2npf h PHE 273 N 0.11 -0.19 0.00 0.00 3.57 -1.77 -1.74 116.94 116.93 2npf h PHE 273 Ca 0.02 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.49 2npf h PHE 273 Cb 0.80 0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.67 2npf h PHE 273 CO 0.09 -0.14 -0.25 -0.91 -2.23 0.00 0.00 178.31 174.87 2npf h ASN 274 N -0.02 0.00 0.17 0.41 4.21 -1.89 -2.28 115.58 116.18 2npf h ASN 274 Ca 0.14 0.00 -0.31 0.00 1.21 0.00 0.00 56.30 57.34 2npf h ASN 274 Cb 0.23 0.00 0.01 0.00 -1.12 0.00 0.00 38.32 37.45 2npf h ASN 274 CO -0.31 0.25 -1.50 0.24 -1.29 0.00 0.00 177.43 174.82 2npf h MET 275 N 0.00 0.36 -0.01 0.81 2.86 -0.98 -1.59 114.93 116.38 2npf h MET 275 Ca -0.00 -0.61 0.00 0.00 -2.06 0.00 0.00 59.70 57.03 2npf h MET 275 Cb 0.56 0.23 0.00 0.00 0.06 0.00 0.00 31.60 32.45 2npf h MET 275 CO 0.03 1.29 -0.34 1.19 1.06 0.00 0.00 176.91 180.15 2npf n PHE 276 N -3.78 0.00 0.00 -0.22 3.72 -0.76 -4.54 117.46 111.88 2npf n PHE 276 Ca -0.23 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.17 2npf n PHE 276 Cb 1.00 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.54 2npf n PHE 276 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 176.76 175.82 2npf n ILE 277 N -0.14 0.00 -0.29 4.37 5.41 -0.90 -4.72 119.36 123.08 2npf n ILE 277 Ca 0.07 0.00 0.06 0.00 1.00 0.00 0.00 62.75 63.87 2npf n ILE 277 Cb 0.34 -0.67 0.21 0.00 -0.71 0.00 0.00 39.64 38.80 2npf n ILE 277 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 2npf h LEU 278 N 0.00 0.55 0.17 1.39 3.38 -1.58 -2.83 115.31 116.38 2npf h LEU 278 Ca 0.00 0.08 0.01 0.00 0.09 0.00 0.00 57.88 58.06 2npf h LEU 278 Cb 0.00 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 40.70 2npf h LEU 278 CO 0.00 0.26 -0.52 -0.78 0.09 0.00 0.00 178.44 177.49 2npf h ASP 279 N 0.65 -1.54 -0.96 -0.43 3.58 -1.52 0.64 116.42 116.84 2npf h ASP 279 Ca 0.44 0.16 0.22 0.00 0.42 0.00 0.00 57.03 58.27 2npf h ASP 279 Cb 0.57 0.56 -0.12 0.00 1.72 0.00 0.00 39.33 42.06 2npf h ASP 279 CO -0.33 -0.56 0.52 -0.65 -2.88 0.00 0.00 179.24 175.33 2npf h PRO 280 N -0.77 0.53 0.66 0.28 0.11 -1.76 0.22 132.00 131.26 2npf h PRO 280 Ca -0.01 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 66.03 2npf h PRO 280 Cb 0.76 -0.12 0.01 0.00 0.11 0.00 0.00 31.00 31.76 2npf h PRO 280 CO -0.25 0.35 -0.32 0.82 -0.21 0.00 0.00 178.00 178.39 2npf h ILE 281 N 0.54 0.16 -0.75 4.15 1.08 -1.28 -2.61 117.51 118.80 2npf h ILE 281 Ca 0.60 -0.30 0.17 0.00 -0.39 0.00 0.00 64.86 64.94 2npf h ILE 281 Cb 1.10 0.21 -0.12 0.00 -3.07 0.00 0.00 36.82 34.94 2npf h ILE 281 CO -0.48 0.02 0.13 -0.26 -0.69 0.00 0.00 178.15 176.88 2npf h PHE 282 N -1.14 0.19 -0.20 1.37 -1.00 -0.21 -0.44 116.94 115.50 2npf h PHE 282 Ca -0.09 0.05 0.04 0.00 2.81 0.00 0.00 57.97 60.78 2npf h PHE 282 Cb 0.71 0.04 -0.04 0.00 3.61 0.00 0.00 35.95 40.27 2npf h PHE 282 CO 0.00 -0.14 -0.06 0.00 -1.61 0.00 0.00 178.31 176.49 2npf h ARG 283 N 0.21 -0.02 0.00 1.51 3.08 -0.96 -1.28 114.38 116.91 2npf h ARG 283 Ca 0.43 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.48 2npf h ARG 283 Cb 0.75 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.81 2npf h ARG 283 CO -0.57 -0.02 -0.01 -0.07 -1.07 0.00 0.00 179.97 178.23 2npf h LEU 284 N -0.03 0.00 -0.15 3.04 3.38 -0.71 -0.89 115.31 119.95 2npf h LEU 284 Ca 0.10 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.84 2npf h LEU 284 Cb 0.18 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.94 2npf h LEU 284 CO -0.22 0.01 -0.91 -0.26 0.09 0.00 0.00 178.44 177.15 2npf h PHE 285 N 0.00 0.85 -0.12 1.13 0.04 -0.33 -2.96 116.94 115.54 2npf h PHE 285 Ca -0.00 -0.43 -0.16 0.00 2.80 0.00 0.00 57.97 60.18 2npf h PHE 285 Cb 0.02 -0.11 0.01 0.00 2.20 0.00 0.00 35.95 38.07 2npf h PHE 285 CO 0.00 1.25 -0.57 1.15 -0.60 0.00 0.00 178.31 179.54 2npf h THR 286 N 0.36 1.34 0.00 -1.55 2.02 -0.58 0.52 112.91 115.02 2npf h THR 286 Ca -0.08 -1.85 0.00 0.00 0.77 0.00 0.00 66.41 65.24 2npf h THR 286 Cb 1.54 2.12 0.00 0.00 -1.74 0.00 0.00 68.15 70.08 2npf h THR 286 CO 0.17 0.57 0.00 0.00 0.37 0.00 0.00 175.52 176.63 2npf n ALA 287 N -2.56 1.75 -0.10 6.16 0.00 -0.40 -2.62 120.51 122.74 2npf n ALA 287 Ca -0.08 0.07 -0.19 0.00 0.00 0.00 0.00 53.44 53.24 2npf n ALA 287 Cb 0.63 -1.40 -0.06 0.00 0.00 0.00 0.00 19.45 18.62 2npf n ALA 287 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2npf n ILE 288 N -2.27 1.22 1.32 0.00 -0.00 -1.12 -3.23 119.36 115.29 2npf n ILE 288 Ca 0.03 -0.19 0.08 0.00 -0.00 0.00 0.00 62.75 62.67 2npf n ILE 288 Cb 0.26 -1.87 0.48 0.00 -0.00 0.00 0.00 39.64 38.52 2npf n ILE 288 CO 0.00 0.00 0.00 0.23 -0.00 0.00 0.00 176.55 176.78 2npf n MET 289 N -4.01 0.66 0.00 0.38 2.81 0.17 -1.69 117.12 115.44 2npf n MET 289 Ca -0.35 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.54 2npf n MET 289 Cb 0.71 -1.38 0.00 0.00 -0.71 0.00 0.00 33.22 31.84 2npf n MET 289 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 2npf n ASN 290 N -0.88 1.99 -1.70 7.83 4.13 -1.08 -4.99 115.26 120.56 2npf n ASN 290 Ca 0.12 -1.99 -0.17 0.00 1.68 0.00 0.00 54.58 54.22 2npf n ASN 290 Cb 0.06 0.00 -0.06 0.00 -1.54 0.00 0.00 39.78 38.24 2npf n ASN 290 CO 0.00 0.00 0.00 0.49 0.28 0.00 0.00 177.26 178.03 2npf n PHE 291 N -0.50 -0.42 -1.61 3.10 3.72 -0.68 -4.85 117.46 116.22 2npf n PHE 291 Ca 0.00 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 57.07 2npf n PHE 291 Cb 0.25 -3.10 -0.07 0.00 -0.94 0.00 0.00 39.48 35.62 2npf n PHE 291 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 2npf n LYS 292 N -2.30 1.27 -0.32 -1.08 4.76 -1.20 -4.81 118.16 114.48 2npf n LYS 292 Ca -0.18 -2.08 0.09 0.00 -2.87 0.00 0.00 58.31 53.27 2npf n LYS 292 Cb 0.58 -3.41 0.19 0.00 -1.84 0.00 0.00 35.03 30.55 2npf n LYS 292 CO 0.00 0.00 0.00 0.87 -1.37 0.00 0.00 177.40 176.90 2npf h LYS 293 N 9.41 0.03 -0.51 1.97 1.57 -1.89 -3.09 116.57 124.06 2npf h LYS 293 Ca 0.26 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.03 2npf h LYS 293 Cb 0.84 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.12 2npf h LYS 293 CO 1.49 0.02 0.28 -0.44 -0.57 0.00 0.00 179.45 180.23 2npf h ASP 294 N 0.03 0.64 -0.41 0.86 3.32 -1.94 -3.28 116.42 115.64 2npf h ASP 294 Ca 0.50 -0.09 -0.11 0.00 0.02 0.00 0.00 57.03 57.35 2npf h ASP 294 Cb 0.90 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 40.27 2npf h ASP 294 CO -0.88 0.54 -0.13 -0.33 -1.72 0.00 0.00 179.24 176.72 2npf h GLU 295 N 0.68 0.88 -0.50 3.56 5.08 -1.90 -3.35 114.58 119.03 2npf h GLU 295 Ca 0.18 -0.31 0.10 0.00 -1.00 0.00 0.00 59.36 58.32 2npf h GLU 295 Cb 0.05 -0.06 -0.09 0.00 0.50 0.00 0.00 28.75 29.14 2npf h GLU 295 CO -0.03 0.95 -0.10 -0.84 -1.00 0.00 0.00 179.01 178.00 2npf h ILE 296 N 0.78 0.52 0.21 3.13 3.07 -1.64 -1.61 117.51 121.97 2npf h ILE 296 Ca 0.12 -0.01 0.00 0.00 1.55 0.00 0.00 64.86 66.53 2npf h ILE 296 Cb 0.65 0.50 -0.02 0.00 -0.27 0.00 0.00 36.82 37.68 2npf h ILE 296 CO 0.05 0.00 -0.20 -0.65 -1.05 0.00 0.00 178.15 176.30 2npf h PRO 297 N 0.02 -0.42 -0.47 0.16 0.11 -1.76 -1.24 132.00 128.41 2npf h PRO 297 Ca 0.24 0.03 0.07 0.00 0.11 0.00 0.00 66.00 66.45 2npf h PRO 297 Cb 0.37 0.09 -0.06 0.00 0.11 0.00 0.00 31.00 31.52 2npf h PRO 297 CO -0.49 -0.28 0.14 0.28 -0.21 0.00 0.00 178.00 177.44 2npf h VAL 298 N -0.43 0.81 -0.99 3.15 2.07 -1.72 0.45 116.25 119.59 2npf h VAL 298 Ca -0.00 -0.10 0.13 0.00 0.82 0.00 0.00 66.70 67.54 2npf h VAL 298 Cb 0.40 0.48 -0.08 0.00 -1.52 0.00 0.00 31.29 30.57 2npf h VAL 298 CO -0.04 0.05 0.62 0.25 0.02 0.00 0.00 177.57 178.47 2npf h LEU 299 N 0.30 0.88 -0.62 2.57 5.85 -1.07 0.60 115.31 123.82 2npf h LEU 299 Ca 0.23 0.05 -0.11 0.00 0.84 0.00 0.00 57.88 58.89 2npf h LEU 299 Cb 0.26 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.15 2npf h LEU 299 CO -0.26 0.46 -0.52 -0.07 -0.34 0.00 0.00 178.44 177.71 2npf h LEU 300 N 0.94 0.00 -0.22 2.25 4.07 0.07 -1.62 115.31 120.79 2npf h LEU 300 Ca 0.49 0.00 -0.12 0.00 0.08 0.00 0.00 57.88 58.34 2npf h LEU 300 Cb 0.55 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.28 2npf h LEU 300 CO -0.26 0.52 -0.32 -0.08 -1.08 0.00 0.00 178.44 177.22 2npf h GLU 301 N 0.00 0.60 -0.02 1.13 4.57 0.11 -0.78 114.58 120.19 2npf h GLU 301 Ca -0.01 -0.35 -0.14 0.00 -1.18 0.00 0.00 59.36 57.68 2npf h GLU 301 Cb 1.13 0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 29.73 2npf h GLU 301 CO 0.07 0.96 -0.64 -0.22 -1.18 0.00 0.00 179.01 178.00 2npf h LYS 302 N 0.29 0.08 -0.46 1.92 1.63 -1.13 -3.04 116.57 115.86 2npf h LYS 302 Ca 0.02 -0.06 0.00 0.00 -0.85 0.00 0.00 60.65 59.76 2npf h LYS 302 Cb 0.90 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.54 2npf h LYS 302 CO 0.07 0.69 0.00 1.28 -3.45 0.00 0.00 179.45 178.05 2npf n LEU 303 N -3.80 2.45 -2.35 5.20 4.77 -0.62 -4.91 117.00 117.74 2npf n LEU 303 Ca -0.02 -1.23 -0.08 0.00 -0.03 0.00 0.00 56.01 54.65 2npf n LEU 303 Cb 0.64 -0.32 -0.01 0.00 -2.33 0.00 0.00 43.42 41.40 2npf n LEU 303 CO 0.43 0.58 -0.11 -0.62 -1.33 0.00 0.00 177.39 176.34 2npf n GLU 304 N 0.75 -2.35 -3.07 3.23 4.71 -0.93 -4.86 120.64 118.11 2npf n GLU 304 Ca 0.15 0.42 -0.45 0.00 -0.01 0.00 0.00 57.16 57.27 2npf n GLU 304 Cb 0.40 -4.95 -0.01 0.00 -1.01 0.00 0.00 31.44 25.87 2npf n GLU 304 CO 0.00 0.00 0.00 0.42 0.09 0.00 0.00 177.13 177.64 2npf s ILE 305 N -2.36 5.24 0.37 -3.67 1.01 -0.34 -5.03 121.20 116.42 2npf s ILE 305 Ca 0.00 -2.53 -0.25 0.00 0.00 0.00 0.00 60.65 57.86 2npf s ILE 305 Cb 0.00 -4.76 -0.09 0.00 0.01 0.00 0.00 42.46 37.62 2npf s ILE 305 CO 0.00 -1.43 1.06 0.68 0.00 0.00 0.00 174.94 175.25 2npf s VAL 306 N 1.05 3.66 0.48 2.92 -7.23 -1.26 -4.78 120.40 115.24 2npf s VAL 306 Ca 0.35 1.38 0.02 0.00 -1.81 0.00 0.00 61.98 61.91 2npf s VAL 306 Cb -0.06 -3.76 -0.02 0.00 0.56 0.00 0.00 36.38 33.10 2npf s VAL 306 CO -0.05 0.11 0.03 -0.76 -0.31 0.00 0.00 175.10 174.12 2npf s LEU 307 N -2.31 2.25 0.17 1.32 1.43 -1.26 -5.04 118.68 115.24 2npf s LEU 307 Ca 0.54 -1.64 -0.13 0.00 -1.03 0.00 0.00 54.13 51.87 2npf s LEU 307 Cb -0.25 -0.59 0.01 0.00 0.03 0.00 0.00 46.19 45.40 2npf s LEU 307 CO 0.31 -0.85 0.38 -1.59 0.23 0.00 0.00 176.35 174.83 2npf s LYS 308 N -3.83 1.21 1.79 1.70 -2.85 -1.26 -4.97 119.74 111.53 2npf s LYS 308 Ca 0.12 -0.98 0.00 0.00 -1.00 0.00 0.00 55.97 54.10 2npf s LYS 308 Cb 0.02 0.44 0.00 0.00 -2.06 0.00 0.00 37.83 36.23 2npf s LYS 308 CO 0.07 -0.47 0.00 0.41 0.10 0.00 0.00 175.35 175.45 2npf n GLY 309 N -0.25 1.62 0.00 0.59 0.00 -1.26 -1.87 105.19 104.02 2npf n GLY 309 Ca -0.10 -0.37 0.04 0.00 0.00 0.00 0.00 46.02 45.60 2npf n GLY 309 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2npf n ASP 310 N -1.54 0.00 0.03 1.61 5.75 -1.26 -2.17 116.55 118.96 2npf n ASP 310 Ca 0.00 -0.23 -0.13 0.00 -0.01 0.00 0.00 54.79 54.42 2npf n ASP 310 Cb 0.00 -0.03 -0.02 0.00 -1.03 0.00 0.00 41.12 40.04 2npf n ASP 310 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 2npf h GLU 311 N 0.00 0.55 0.00 0.11 5.08 -1.80 -2.56 114.58 115.96 2npf h GLU 311 Ca 0.00 -0.47 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 2npf h GLU 311 Cb 0.01 0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.36 2npf h GLU 311 CO 0.00 1.10 0.00 1.63 -1.00 0.00 0.00 179.01 180.74 2npf n LYS 312 N -3.86 0.07 -2.63 2.33 5.02 -0.92 -1.97 118.16 116.19 2npf n LYS 312 Ca -0.06 0.57 -0.27 0.00 -2.02 0.00 0.00 58.31 56.53 2npf n LYS 312 Cb 0.74 -1.73 -0.01 0.00 -0.02 0.00 0.00 35.03 34.01 2npf n LYS 312 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2npf n ASP 313 N -1.87 4.64 -4.69 4.39 8.00 -0.96 -5.06 116.55 121.00 2npf n ASP 313 Ca -0.01 -3.71 -0.31 0.00 0.71 0.00 0.00 54.79 51.48 2npf n ASP 313 Cb 0.02 -0.49 -0.09 0.00 -0.02 0.00 0.00 41.12 40.54 2npf n ASP 313 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2npf s LEU 314 N -3.52 2.51 0.04 0.64 1.43 -0.83 -5.02 118.68 113.93 2npf s LEU 314 Ca 0.48 -1.54 -0.19 0.00 -1.03 0.00 0.00 54.13 51.86 2npf s LEU 314 Cb 0.36 -0.78 0.04 0.00 0.03 0.00 0.00 46.19 45.84 2npf s LEU 314 CO -0.17 -0.69 0.43 -1.61 0.23 0.00 0.00 176.35 174.53 2npf s GLU 315 N -3.81 0.92 1.09 1.70 2.02 -1.26 -4.82 118.70 114.54 2npf s GLU 315 Ca 0.18 -0.32 0.00 0.00 0.02 0.00 0.00 54.97 54.85 2npf s GLU 315 Cb 0.05 0.41 0.00 0.00 0.10 0.00 0.00 34.13 34.69 2npf s GLU 315 CO 0.09 -0.31 0.00 0.41 0.02 0.00 0.00 175.26 175.47 2npf n GLY 316 N 0.55 0.63 0.04 -1.39 0.00 -1.26 -2.71 105.19 101.05 2npf n GLY 316 Ca -0.19 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 44.99 2npf n GLY 316 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2npf n LYS 317 N -0.02 -0.02 -0.33 1.61 5.02 -1.26 0.18 118.16 123.33 2npf n LYS 317 Ca 0.00 0.17 0.14 0.00 -2.02 0.00 0.00 58.31 56.60 2npf n LYS 317 Cb 0.00 -0.25 0.33 0.00 -0.02 0.00 0.00 35.03 35.09 2npf n LYS 317 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2npf h ALA 318 N 0.18 1.62 0.07 7.82 0.00 -1.94 0.14 119.26 127.15 2npf h ALA 318 Ca 0.04 0.12 -0.28 0.00 0.00 0.00 0.00 54.91 54.79 2npf h ALA 318 Cb 0.07 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2npf h ALA 318 CO -0.11 -0.21 -1.48 1.25 0.00 0.00 0.00 179.25 178.70 2npf h LEU 319 N 0.59 0.22 0.51 0.00 5.85 0.19 -3.21 115.31 119.45 2npf h LEU 319 Ca 0.59 -0.32 -0.02 0.00 0.84 0.00 0.00 57.88 58.96 2npf h LEU 319 Cb 1.05 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.01 2npf h LEU 319 CO -0.45 1.27 -0.24 0.25 -0.34 0.00 0.00 178.44 178.92 2npf h LEU 320 N 0.04 -0.58 -0.82 2.25 5.85 -0.98 0.01 115.31 121.08 2npf h LEU 320 Ca -0.21 0.02 0.14 0.00 0.84 0.00 0.00 57.88 58.67 2npf h LEU 320 Cb 1.96 0.15 -0.15 0.00 0.37 0.00 0.00 40.66 43.00 2npf h LEU 320 CO 0.13 -0.35 -0.32 0.11 -0.34 0.00 0.00 178.44 177.67 2npf h LYS 321 N -0.81 -0.05 0.33 1.25 1.57 -0.94 -0.38 116.57 117.54 2npf h LYS 321 Ca -0.07 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.71 2npf h LYS 321 Cb 0.52 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.82 2npf h LYS 321 CO 0.11 -0.04 -0.44 0.28 -0.57 0.00 0.00 179.45 178.80 2npf h VAL 322 N -0.05 0.00 -0.57 0.50 2.07 -1.55 -2.67 116.25 113.98 2npf h VAL 322 Ca 0.33 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.96 2npf h VAL 322 Cb 0.59 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.25 2npf h VAL 322 CO -0.86 0.00 -0.24 0.58 0.02 0.00 0.00 177.57 177.08 2npf h VAL 323 N -0.80 0.29 -0.69 2.57 2.07 0.36 -1.42 116.25 118.64 2npf h VAL 323 Ca -0.04 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.62 2npf h VAL 323 Cb 0.72 0.29 -0.10 0.00 -1.52 0.00 0.00 31.29 30.69 2npf h VAL 323 CO -0.11 0.00 0.20 0.24 0.02 0.00 0.00 177.57 177.92 2npf h MET 324 N -0.10 0.32 -0.80 1.57 2.07 -1.02 0.26 114.93 117.23 2npf h MET 324 Ca 0.26 -0.02 0.04 0.00 -2.07 0.00 0.00 59.70 57.91 2npf h MET 324 Cb 0.50 -0.07 -0.05 0.00 -1.87 0.00 0.00 31.60 30.11 2npf h MET 324 CO -0.63 0.21 0.53 0.00 1.07 0.00 0.00 176.91 178.09 2npf h ARG 325 N 0.33 0.93 0.00 1.72 3.08 -0.91 1.18 114.38 120.71 2npf h ARG 325 Ca 0.38 -0.06 -0.14 0.00 0.07 0.00 0.00 59.98 60.23 2npf h ARG 325 Cb 0.59 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 30.41 2npf h ARG 325 CO -0.43 0.62 -0.65 0.87 -1.07 0.00 0.00 179.97 179.30 2npf h LYS 326 N 0.96 0.00 0.00 0.04 1.79 -0.80 -2.97 116.57 115.59 2npf h LYS 326 Ca 0.33 0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 58.75 2npf h LYS 326 Cb 0.09 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.73 2npf h LYS 326 CO -0.10 0.65 -0.30 0.35 -1.08 0.00 0.00 179.45 178.98 2npf h PHE 327 N 0.00 0.00 -2.07 -1.35 3.57 0.62 -3.44 116.94 114.27 2npf h PHE 327 Ca -0.01 0.00 -0.57 0.00 3.53 0.00 0.00 57.97 60.92 2npf h PHE 327 Cb 1.44 0.00 -0.40 0.00 2.79 0.00 0.00 35.95 39.78 2npf h PHE 327 CO 0.00 0.80 -0.94 1.28 -2.23 0.00 0.00 178.31 177.22 2npf n LEU 328 N -4.61 1.31 -4.51 0.59 4.77 0.40 -5.07 117.00 109.87 2npf n LEU 328 Ca -0.12 -4.93 -0.40 0.00 -0.03 0.00 0.00 56.01 50.53 2npf n LEU 328 Cb 0.40 0.22 -0.10 0.00 -2.33 0.00 0.00 43.42 41.61 2npf n LEU 328 CO 0.22 2.06 2.12 -2.65 -1.33 0.00 0.00 177.39 177.81 2npf n PRO 329 N 1.26 0.44 -0.21 3.23 -0.02 -1.12 -1.22 135.00 137.37 2npf n PRO 329 Ca 0.24 0.01 0.03 0.00 -2.02 0.00 0.00 63.50 61.76 2npf n PRO 329 Cb 0.49 -2.28 0.07 0.00 -0.02 0.00 0.00 33.50 31.76 2npf n PRO 329 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2npf n ALA 330 N 12.47 0.10 0.09 3.55 0.00 -1.07 -0.98 120.51 134.66 2npf n ALA 330 Ca 0.54 0.62 -0.12 0.00 0.00 0.00 0.00 53.44 54.47 2npf n ALA 330 Cb 0.23 -0.36 -0.05 0.00 0.00 0.00 0.00 19.45 19.28 2npf n ALA 330 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2npf h ALA 331 N 1.08 -0.29 -0.91 0.00 0.00 -1.87 -2.85 119.26 114.41 2npf h ALA 331 Ca 0.26 -0.02 0.11 0.00 0.00 0.00 0.00 54.91 55.26 2npf h ALA 331 Cb 0.40 0.31 -0.13 0.00 0.00 0.00 0.00 17.79 18.37 2npf h ALA 331 CO -0.58 -0.70 -0.45 -0.25 0.00 0.00 0.00 179.25 177.27 2npf n ASP 332 N -5.31 -0.78 0.19 0.00 9.92 -0.15 -0.40 116.55 120.00 2npf n ASP 332 Ca -0.06 1.61 -0.15 0.00 -0.53 0.00 0.00 54.79 55.66 2npf n ASP 332 Cb 0.23 -0.29 -0.07 0.00 -0.64 0.00 0.00 41.12 40.35 2npf n ASP 332 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2npf h ALA 333 N 0.86 -0.72 -0.46 2.24 0.00 -1.58 -1.68 119.26 117.90 2npf h ALA 333 Ca 0.23 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 55.10 2npf h ALA 333 Cb 0.46 0.55 -0.05 0.00 0.00 0.00 0.00 17.79 18.75 2npf h ALA 333 CO -0.88 -0.95 0.18 -0.07 0.00 0.00 0.00 179.25 177.52 2npf h LEU 334 N -0.69 0.21 -0.95 0.00 3.38 -0.89 -2.09 115.31 114.27 2npf h LEU 334 Ca -0.01 0.05 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 2npf h LEU 334 Cb 0.65 0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.39 2npf h LEU 334 CO -0.12 0.15 0.38 -0.07 0.09 0.00 0.00 178.44 178.88 2npf h LEU 335 N 0.36 1.03 0.22 1.67 3.38 -0.66 -2.01 115.31 119.31 2npf h LEU 335 Ca 0.22 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 2npf h LEU 335 Cb 0.20 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 2npf h LEU 335 CO -0.20 0.87 -0.36 -0.08 0.09 0.00 0.00 178.44 178.75 2npf h GLU 336 N 1.13 -0.60 -0.94 1.13 4.81 -0.63 -0.59 114.58 118.89 2npf h GLU 336 Ca 0.27 0.04 0.20 0.00 -0.13 0.00 0.00 59.36 59.74 2npf h GLU 336 Cb 0.11 0.14 -0.11 0.00 0.63 0.00 0.00 28.75 29.51 2npf h GLU 336 CO -0.04 -0.40 0.51 0.52 -0.73 0.00 0.00 179.01 178.88 2npf h MET 337 N -0.62 0.59 0.43 1.92 2.86 -1.28 0.31 114.93 119.15 2npf h MET 337 Ca -0.03 -0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.56 2npf h MET 337 Cb 0.57 -0.13 -0.00 0.00 0.06 0.00 0.00 31.60 32.10 2npf h MET 337 CO -0.12 0.39 -0.25 0.82 1.06 0.00 0.00 176.91 178.81 2npf h ILE 338 N 0.61 0.00 -0.77 -1.22 1.08 -0.67 -0.82 117.51 115.72 2npf h ILE 338 Ca 0.56 0.00 0.07 0.00 -0.39 0.00 0.00 64.86 65.10 2npf h ILE 338 Cb 0.93 0.00 -0.06 0.00 -3.07 0.00 0.00 36.82 34.62 2npf h ILE 338 CO -0.43 0.00 0.45 0.58 -0.69 0.00 0.00 178.15 178.06 2npf h VAL 339 N -0.64 0.97 -0.00 1.67 2.07 -0.63 -1.04 116.25 118.66 2npf h VAL 339 Ca -0.06 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 67.19 2npf h VAL 339 Cb 0.51 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.37 2npf h VAL 339 CO 0.07 0.15 -0.14 0.18 0.02 0.00 0.00 177.57 177.84 2npf n LEU 340 N -4.72 0.15 0.00 2.57 4.77 0.11 -4.58 117.00 115.29 2npf n LEU 340 Ca 0.11 0.34 0.00 0.00 -0.03 0.00 0.00 56.01 56.43 2npf n LEU 340 Cb 0.21 -0.42 0.00 0.00 -2.33 0.00 0.00 43.42 40.88 2npf n LEU 340 CO 0.29 0.04 0.00 1.41 -1.33 0.00 0.00 177.39 177.80 2npf n HIS 341 N -1.48 0.00 -2.59 -1.77 8.25 -0.32 -4.63 115.22 112.68 2npf n HIS 341 Ca 0.07 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.12 2npf n HIS 341 Cb 0.33 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.41 2npf n HIS 341 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2npf s LEU 342 N -0.86 4.45 0.78 2.41 1.43 -0.40 -5.00 118.68 121.48 2npf s LEU 342 Ca 0.00 1.91 -0.13 0.00 -1.03 0.00 0.00 54.13 54.89 2npf s LEU 342 Cb 0.00 -3.59 0.07 0.00 0.03 0.00 0.00 46.19 42.70 2npf s LEU 342 CO 0.00 -0.23 1.16 -2.16 0.23 0.00 0.00 176.35 175.35 2npf s PRO 343 N 0.25 1.95 0.43 1.29 0.04 -1.26 -4.79 135.00 132.91 2npf s PRO 343 Ca 0.51 1.55 0.01 0.00 0.04 0.00 0.00 61.00 63.11 2npf s PRO 343 Cb -0.26 -1.83 -0.01 0.00 0.04 0.00 0.00 34.50 32.44 2npf s PRO 343 CO 0.31 -1.94 0.64 -1.54 0.04 0.00 0.00 177.00 174.51 2npf s SER 344 N -2.52 5.87 0.33 6.66 1.04 -1.26 -4.47 113.70 119.35 2npf s SER 344 Ca 0.69 0.22 0.12 0.00 0.48 0.00 0.00 55.95 57.46 2npf s SER 344 Cb -0.24 -1.51 0.97 0.00 0.10 0.00 0.00 66.02 65.34 2npf s SER 344 CO 0.50 -0.64 1.70 -0.65 0.98 0.00 0.00 173.24 175.13 2npf h PRO 345 N 0.49 0.46 0.33 4.02 0.11 -1.72 -1.39 132.00 134.29 2npf h PRO 345 Ca -0.46 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.60 2npf h PRO 345 Cb 1.25 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.26 2npf h PRO 345 CO 0.57 0.30 -0.18 0.28 -0.21 0.00 0.00 178.00 178.76 2npf h VAL 346 N 0.47 0.00 -0.89 3.15 2.07 -1.93 0.14 116.25 119.26 2npf h VAL 346 Ca 0.68 0.00 0.21 0.00 0.82 0.00 0.00 66.70 68.41 2npf h VAL 346 Cb 1.41 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 31.06 2npf h VAL 346 CO -0.53 0.00 0.41 0.74 0.02 0.00 0.00 177.57 178.21 2npf h THR 347 N -0.47 0.53 0.02 2.57 2.02 -1.73 -3.10 112.91 112.76 2npf h THR 347 Ca -0.05 -0.16 -0.00 0.00 0.77 0.00 0.00 66.41 66.98 2npf h THR 347 Cb 0.37 0.04 0.00 0.00 -1.74 0.00 0.00 68.15 66.81 2npf h THR 347 CO 0.07 0.08 -0.01 0.00 0.37 0.00 0.00 175.52 176.03 2npf h ALA 348 N 1.68 -0.03 0.00 6.16 0.00 -1.25 -3.33 119.26 122.49 2npf h ALA 348 Ca 0.54 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 55.08 2npf h ALA 348 Cb 0.99 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.79 2npf h ALA 348 CO -0.49 -0.07 0.39 1.96 0.00 0.00 0.00 179.25 181.03 2npf h GLN 349 N -0.91 0.00 -0.35 0.00 4.20 -0.64 0.34 115.11 117.75 2npf h GLN 349 Ca -0.00 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.64 2npf h GLN 349 Cb 0.75 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.52 2npf h GLN 349 CO 0.00 0.00 -0.03 0.00 -0.67 0.00 0.00 178.83 178.14 2npf h ALA 350 N 1.20 0.47 -0.00 3.87 0.00 -1.62 -1.54 119.26 121.64 2npf h ALA 350 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.65 2npf h ALA 350 Cb 0.78 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.44 2npf h ALA 350 CO 0.00 0.26 -0.80 2.48 0.00 0.00 0.00 179.25 181.20 2npf n TYR 351 N -4.48 0.00 -0.01 0.00 0.18 -0.31 -4.32 117.16 108.22 2npf n TYR 351 Ca -0.02 0.00 -0.10 0.00 1.88 0.00 0.00 57.90 59.66 2npf n TYR 351 Cb 0.30 0.00 -0.14 0.00 -0.38 0.00 0.00 39.34 39.12 2npf n TYR 351 CO 0.00 0.00 0.00 -0.09 -2.08 0.00 0.00 176.86 174.69 2npf h ARG 352 N 0.58 0.03 -0.89 -3.48 2.43 -1.03 -3.41 114.38 108.60 2npf h ARG 352 Ca 0.00 -0.05 0.15 0.00 -0.81 0.00 0.00 59.98 59.27 2npf h ARG 352 Cb 0.52 0.02 -0.15 0.00 -0.42 0.00 0.00 29.97 29.94 2npf h ARG 352 CO 0.00 0.60 -0.32 0.00 -1.51 0.00 0.00 179.97 178.74 2npf n ALA 353 N -2.58 -0.04 0.12 2.80 0.00 -0.58 -2.58 120.51 117.64 2npf n ALA 353 Ca -0.17 0.91 -0.15 0.00 0.00 0.00 0.00 53.44 54.03 2npf n ALA 353 Cb 1.04 -0.44 -0.09 0.00 0.00 0.00 0.00 19.45 19.96 2npf n ALA 353 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2npf h GLU 354 N 0.00 -0.69 -0.96 0.00 4.39 -1.87 -2.50 114.58 112.94 2npf h GLU 354 Ca 0.34 0.05 0.07 0.00 0.34 0.00 0.00 59.36 60.15 2npf h GLU 354 Cb 0.56 0.16 -0.07 0.00 -0.10 0.00 0.00 28.75 29.30 2npf h GLU 354 CO -0.89 -0.46 0.61 1.96 -1.16 0.00 0.00 179.01 179.07 2npf h GLN 355 N -0.72 1.07 0.00 2.33 4.20 -1.82 -2.23 115.11 117.95 2npf h GLN 355 Ca -0.01 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.64 2npf h GLN 355 Cb 0.72 -0.24 0.00 0.00 0.30 0.00 0.00 27.48 28.26 2npf h GLN 355 CO -0.26 0.71 0.00 1.28 -0.67 0.00 0.00 178.83 179.89 2npf n LEU 356 N -4.55 0.44 -4.18 1.46 4.77 -1.06 -4.53 117.00 109.36 2npf n LEU 356 Ca 0.15 0.62 -0.32 0.00 -0.03 0.00 0.00 56.01 56.43 2npf n LEU 356 Cb 0.20 -0.57 -0.17 0.00 -2.33 0.00 0.00 43.42 40.55 2npf n LEU 356 CO 0.31 -0.49 -0.55 -0.47 -1.33 0.00 0.00 177.39 174.86 2npf s TYR 357 N -3.23 2.59 0.15 -1.77 5.04 -0.84 -2.10 117.35 117.19 2npf s TYR 357 Ca 0.04 -1.21 -0.02 0.00 -2.44 0.00 0.00 57.07 53.44 2npf s TYR 357 Cb 0.09 -1.75 -0.03 0.00 0.35 0.00 0.00 41.96 40.61 2npf s TYR 357 CO 0.33 -0.53 1.35 1.49 -1.34 0.00 0.00 175.55 176.85 2npf h GLU 358 N 7.09 0.36 0.00 4.97 4.81 -1.75 -3.46 114.58 126.60 2npf h GLU 358 Ca -0.27 -0.36 0.00 0.00 -0.13 0.00 0.00 59.36 58.59 2npf h GLU 358 Cb 1.21 0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.69 2npf h GLU 358 CO 0.52 1.04 0.00 0.41 -0.73 0.00 0.00 179.01 180.25 2npf n GLY 359 N 0.83 -2.85 3.77 1.92 0.00 -1.26 -4.97 105.19 102.62 2npf n GLY 359 Ca -0.05 -1.37 -0.41 0.00 0.00 0.00 0.00 46.02 44.19 2npf n GLY 359 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2npf s PRO 360 N -2.83 4.40 0.00 1.61 0.04 -1.26 -4.90 135.00 132.07 2npf s PRO 360 Ca 0.00 2.15 0.09 0.00 0.04 0.00 0.00 61.00 63.28 2npf s PRO 360 Cb 0.00 -3.09 0.54 0.00 0.04 0.00 0.00 34.50 31.99 2npf s PRO 360 CO 0.00 -0.13 1.05 0.00 0.04 0.00 0.00 177.00 177.97 2npf n ALA 361 N 0.88 2.17 0.21 8.56 0.00 -1.26 -1.53 120.51 129.54 2npf n ALA 361 Ca -0.00 -0.06 0.02 0.00 0.00 0.00 0.00 53.44 53.41 2npf n ALA 361 Cb 0.42 -1.15 -0.03 0.00 0.00 0.00 0.00 19.45 18.70 2npf n ALA 361 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2npf n ASP 362 N -0.73 0.68 -4.36 0.00 8.00 -1.26 -4.70 116.55 114.18 2npf n ASP 362 Ca 0.07 -0.54 -0.34 0.00 0.71 0.00 0.00 54.79 54.68 2npf n ASP 362 Cb 0.03 1.03 0.09 0.00 -0.02 0.00 0.00 41.12 42.25 2npf n ASP 362 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 2npf n ASP 363 N -1.19 -2.50 0.06 -2.24 2.03 -0.58 -4.81 116.55 107.32 2npf n ASP 363 Ca 0.01 0.39 -0.13 0.00 0.52 0.00 0.00 54.79 55.58 2npf n ASP 363 Cb 0.09 -1.13 -0.08 0.00 -0.72 0.00 0.00 41.12 39.27 2npf n ASP 363 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2npf h ALA 364 N -1.11 -0.11 -0.38 -1.67 0.00 -1.96 -2.63 119.26 111.41 2npf h ALA 364 Ca -0.44 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.32 2npf h ALA 364 Cb 1.31 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.12 2npf h ALA 364 CO 0.35 -0.47 0.07 -0.91 0.00 0.00 0.00 179.25 178.29 2npf h ASN 365 N -0.29 0.59 -0.51 0.00 2.35 -1.92 -1.53 115.58 114.26 2npf h ASN 365 Ca -0.01 -0.25 0.14 0.00 -0.55 0.00 0.00 56.30 55.63 2npf h ASN 365 Cb 0.25 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 38.44 2npf h ASN 365 CO 0.02 0.69 0.37 0.00 -1.65 0.00 0.00 177.43 176.85 2npf h ILE 367 N 0.04 1.36 -0.01 0.00 1.08 -1.05 -2.53 117.51 116.39 2npf h ILE 367 Ca 0.24 -2.62 0.00 0.00 -0.39 0.00 0.00 64.86 62.10 2npf h ILE 367 Cb 0.93 2.73 -0.00 0.00 -3.07 0.00 0.00 36.82 37.40 2npf h ILE 367 CO -0.01 0.78 0.01 0.00 -0.69 0.00 0.00 178.15 178.24 2npf h ALA 368 N 0.44 0.02 0.12 1.87 0.00 0.27 -1.59 119.26 120.39 2npf h ALA 368 Ca -0.16 0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.77 2npf h ALA 368 Cb 1.88 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.63 2npf h ALA 368 CO 0.22 -0.49 -0.40 0.82 0.00 0.00 0.00 179.25 179.40 2npf h ILE 369 N 0.01 0.18 0.00 0.00 2.04 -0.97 1.22 117.51 120.01 2npf h ILE 369 Ca 0.01 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.87 2npf h ILE 369 Cb 0.00 0.18 0.00 0.00 -0.74 0.00 0.00 36.82 36.27 2npf h ILE 369 CO -0.01 0.00 0.37 0.50 0.00 0.00 0.00 178.15 179.01 2npf h LYS 370 N -0.63 0.00 0.00 2.37 3.64 -1.19 0.10 116.57 120.86 2npf h LYS 370 Ca 0.02 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 2npf h LYS 370 Cb 0.66 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.48 2npf h LYS 370 CO -0.23 0.00 -1.20 0.09 -2.27 0.00 0.00 179.45 175.83 2npf n ASN 371 N -2.63 1.60 -3.24 4.20 3.02 0.93 -3.65 115.26 115.49 2npf n ASN 371 Ca -0.02 -0.28 -0.21 0.00 -0.03 0.00 0.00 54.58 54.05 2npf n ASN 371 Cb 0.40 1.36 0.07 0.00 -0.61 0.00 0.00 39.78 41.00 2npf n ASN 371 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2npf s ASP 373 N -3.39 6.79 0.50 0.00 -1.08 -1.01 -4.76 116.67 113.72 2npf s ASP 373 Ca 0.47 1.06 0.29 0.00 -0.52 0.00 0.00 52.55 53.84 2npf s ASP 373 Cb -0.21 -2.54 0.95 0.00 -1.46 0.00 0.00 42.92 39.66 2npf s ASP 373 CO 0.65 -1.01 1.83 1.55 0.52 0.00 0.00 175.17 178.71 2npf h PRO 374 N 8.74 0.00 -0.26 4.34 0.13 -1.92 1.21 132.00 144.24 2npf h PRO 374 Ca -0.23 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 2npf h PRO 374 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 2npf h PRO 374 CO 1.04 0.00 0.00 1.63 -0.23 0.00 0.00 178.00 180.44 2npf n LYS 375 N -3.08 1.87 -2.84 0.86 5.02 -1.26 -3.01 118.16 115.72 2npf n LYS 375 Ca 0.02 -1.32 -0.21 0.00 -2.02 0.00 0.00 58.31 54.78 2npf n LYS 375 Cb 0.40 -1.38 0.09 0.00 -0.02 0.00 0.00 35.03 34.11 2npf n LYS 375 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2npf s ALA 376 N -1.66 4.26 0.16 7.82 0.00 -1.23 -4.96 121.76 126.17 2npf s ALA 376 Ca 0.31 -1.99 -0.32 0.00 0.00 0.00 0.00 51.96 49.97 2npf s ALA 376 Cb 0.17 -1.69 -0.10 0.00 0.00 0.00 0.00 23.12 21.49 2npf s ALA 376 CO 0.24 -1.16 1.61 -0.51 0.00 0.00 0.00 175.76 175.94 2npf s ASP 377 N -4.71 6.55 0.40 0.00 1.01 -1.26 -4.05 116.67 114.60 2npf s ASP 377 Ca 0.64 2.66 -0.23 0.00 0.71 0.00 0.00 52.55 56.32 2npf s ASP 377 Cb -0.05 -2.59 -0.12 0.00 1.01 0.00 0.00 42.92 41.16 2npf s ASP 377 CO 0.42 -0.86 0.66 -0.11 0.21 0.00 0.00 175.17 175.48 2npf n LEU 378 N 4.15 0.51 -3.06 1.23 7.94 -1.26 -4.46 117.00 122.05 2npf n LEU 378 Ca 0.14 0.96 -0.15 0.00 -1.11 0.00 0.00 56.01 55.85 2npf n LEU 378 Cb 0.38 -1.16 -0.04 0.00 0.53 0.00 0.00 43.42 43.13 2npf n LEU 378 CO 0.62 -2.55 -0.09 0.23 -1.11 0.00 0.00 177.39 174.49 2npf n MET 379 N 0.53 0.40 -3.94 1.96 2.81 -0.35 -2.91 117.12 115.62 2npf n MET 379 Ca 0.11 -2.58 -0.35 0.00 -1.81 0.00 0.00 57.70 53.07 2npf n MET 379 Cb 0.38 -1.55 -0.12 0.00 -0.71 0.00 0.00 33.22 31.22 2npf n MET 379 CO 0.00 0.00 0.00 -1.17 1.51 0.00 0.00 175.97 176.31 2npf s LEU 380 N 0.36 3.33 -0.33 4.03 0.20 0.66 -0.54 118.68 126.38 2npf s LEU 380 Ca 0.32 -0.20 -0.17 0.00 0.69 0.00 0.00 54.13 54.77 2npf s LEU 380 Cb 0.03 -1.86 -0.01 0.00 -0.43 0.00 0.00 46.19 43.92 2npf s LEU 380 CO -0.13 0.03 0.44 -0.47 -0.29 0.00 0.00 176.35 175.93 2npf s TYR 381 N 1.22 3.20 -0.53 5.38 5.04 -0.95 0.16 117.35 130.87 2npf s TYR 381 Ca 0.04 0.15 -0.25 0.00 -2.44 0.00 0.00 57.07 54.57 2npf s TYR 381 Cb -0.15 -2.77 0.04 0.00 0.35 0.00 0.00 41.96 39.43 2npf s TYR 381 CO 0.02 -0.44 0.97 0.08 -1.34 0.00 0.00 175.55 174.84 2npf s VAL 382 N 2.20 4.36 0.25 3.14 1.01 0.26 -2.36 120.40 129.26 2npf s VAL 382 Ca 0.16 0.48 0.00 0.00 0.00 0.00 0.00 61.98 62.62 2npf s VAL 382 Cb -0.16 -4.54 0.05 0.00 0.00 0.00 0.00 36.38 31.73 2npf s VAL 382 CO 0.12 -1.07 1.68 -1.28 0.00 0.00 0.00 175.10 174.54 2npf h SER 383 N 9.28 0.58 0.00 3.32 0.87 -0.12 -2.01 113.55 125.47 2npf h SER 383 Ca -0.25 -0.21 0.00 0.00 -1.23 0.00 0.00 61.79 60.10 2npf h SER 383 Cb 1.07 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 62.87 2npf h SER 383 CO 1.09 0.83 0.00 2.29 -0.53 0.00 0.00 176.83 180.51 2npf n LYS 384 N -4.10 0.00 -3.70 2.24 2.85 -1.05 -4.14 118.16 110.25 2npf n LYS 384 Ca -0.00 0.00 -0.36 0.00 -1.05 0.00 0.00 58.31 56.90 2npf n LYS 384 Cb 0.43 0.00 -0.06 0.00 -0.65 0.00 0.00 35.03 34.75 2npf n LYS 384 CO 0.00 0.00 0.00 -1.64 -0.05 0.00 0.00 177.40 175.71 2npf s MET 385 N -2.00 3.66 -0.08 -1.58 -1.94 -1.26 -0.57 119.30 115.52 2npf s MET 385 Ca 0.00 0.07 0.04 0.00 -1.71 0.00 0.00 55.69 54.09 2npf s MET 385 Cb 0.00 -3.13 0.00 0.00 2.01 0.00 0.00 34.83 33.71 2npf s MET 385 CO 0.00 0.68 -0.19 0.54 -0.01 0.00 0.00 175.02 176.04 2npf s VAL 386 N -1.19 1.68 0.50 -6.03 0.11 -0.08 -4.91 120.40 110.48 2npf s VAL 386 Ca 0.24 -0.80 -0.23 0.00 -2.93 0.00 0.00 61.98 58.25 2npf s VAL 386 Cb -0.14 -1.47 -0.06 0.00 -1.53 0.00 0.00 36.38 33.18 2npf s VAL 386 CO 0.13 0.47 1.39 -2.16 -3.33 0.00 0.00 175.10 171.60 2npf s PRO 387 N 0.40 3.40 0.32 1.54 0.04 -1.26 -1.16 135.00 138.28 2npf s PRO 387 Ca -0.15 2.32 0.03 0.00 0.04 0.00 0.00 61.00 63.24 2npf s PRO 387 Cb -0.16 -2.45 -0.02 0.00 0.04 0.00 0.00 34.50 31.91 2npf s PRO 387 CO 0.06 -1.01 0.34 0.95 0.04 0.00 0.00 177.00 177.38 2npf s THR 388 N -1.26 0.00 -2.03 1.26 -4.23 -0.91 -2.06 115.64 106.41 2npf s THR 388 Ca 0.66 -1.86 0.23 0.00 -1.18 0.00 0.00 61.69 59.54 2npf s THR 388 Cb -0.42 -2.55 0.61 0.00 1.34 0.00 0.00 72.50 71.48 2npf s THR 388 CO 0.52 0.00 1.51 -1.54 -0.54 0.00 0.00 174.62 174.57 2npf n SER 389 N -1.40 3.88 -0.63 3.99 3.41 -0.26 -4.32 113.62 118.28 2npf n SER 389 Ca 0.05 -2.00 0.00 0.00 -0.26 0.00 0.00 58.87 56.66 2npf n SER 389 Cb 0.62 -0.45 0.00 0.00 -0.26 0.00 0.00 64.21 64.12 2npf n SER 389 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2npf n ASP 390 N 1.61 1.14 -2.12 4.04 -0.08 -1.26 -4.82 116.55 115.07 2npf n ASP 390 Ca 0.24 -1.49 -0.03 0.00 -1.51 0.00 0.00 54.79 52.00 2npf n ASP 390 Cb 0.62 -0.37 -0.02 0.00 2.34 0.00 0.00 41.12 43.68 2npf n ASP 390 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 2npf n LYS 391 N 0.26 -2.50 -1.82 -0.67 4.76 -1.26 -4.25 118.16 112.68 2npf n LYS 391 Ca 0.00 2.11 -0.08 0.00 -2.87 0.00 0.00 58.31 57.47 2npf n LYS 391 Cb 0.24 -3.31 -0.02 0.00 -1.84 0.00 0.00 35.03 30.09 2npf n LYS 391 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2npf n GLY 392 N 0.87 0.19 3.89 0.72 0.00 -1.26 -4.90 105.19 104.69 2npf n GLY 392 Ca -0.21 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.46 2npf n GLY 392 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2npf s ARG 393 N -3.81 3.52 -0.12 1.61 1.81 -1.26 -5.03 118.95 115.67 2npf s ARG 393 Ca 0.00 -0.13 0.02 0.00 -1.72 0.00 0.00 55.73 53.90 2npf s ARG 393 Cb 0.00 -3.12 0.01 0.00 -0.45 0.00 0.00 34.95 31.39 2npf s ARG 393 CO 0.00 0.69 -0.19 -0.06 -0.68 0.00 0.00 175.30 175.07 2npf s PHE 394 N -1.23 2.31 -0.18 -0.53 0.08 -1.26 -2.14 117.98 115.04 2npf s PHE 394 Ca 0.24 -1.12 -0.11 0.00 0.12 0.00 0.00 56.93 56.06 2npf s PHE 394 Cb -0.13 -1.61 -0.05 0.00 -0.57 0.00 0.00 43.02 40.66 2npf s PHE 394 CO 0.13 -0.54 0.19 0.71 -0.10 0.00 0.00 175.22 175.62 2npf s TYR 395 N 0.88 3.45 0.28 0.36 2.02 -0.31 -4.21 117.35 119.82 2npf s TYR 395 Ca -0.07 0.45 -0.29 0.00 -0.37 0.00 0.00 57.07 56.78 2npf s TYR 395 Cb -0.15 -2.20 -0.10 0.00 -0.40 0.00 0.00 41.96 39.11 2npf s TYR 395 CO -0.01 0.32 1.26 0.00 -1.57 0.00 0.00 175.55 175.55 2npf s ALA 396 N 0.25 3.49 -0.09 3.71 0.00 0.21 -0.90 121.76 128.43 2npf s ALA 396 Ca 0.12 1.13 0.03 0.00 0.00 0.00 0.00 51.96 53.24 2npf s ALA 396 Cb -0.12 -3.45 0.01 0.00 0.00 0.00 0.00 23.12 19.56 2npf s ALA 396 CO 0.01 -0.50 -0.20 0.12 0.00 0.00 0.00 175.76 175.19 2npf s PHE 397 N -0.73 2.20 0.00 0.00 5.36 0.26 0.18 117.98 125.25 2npf s PHE 397 Ca 0.50 -0.90 0.00 0.00 -0.96 0.00 0.00 56.93 55.58 2npf s PHE 397 Cb -0.37 -1.50 0.00 0.00 -0.34 0.00 0.00 43.02 40.81 2npf s PHE 397 CO 0.45 -0.38 0.00 0.41 -1.46 0.00 0.00 175.22 174.24 2npf n GLY 398 N 3.66 2.01 3.02 13.12 0.00 -0.69 0.60 105.19 126.91 2npf n GLY 398 Ca -0.20 -0.78 -0.25 0.00 0.00 0.00 0.00 46.02 44.78 2npf n GLY 398 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2npf s ARG 399 N 0.05 1.74 -0.25 1.61 3.52 -1.00 -0.56 118.95 124.06 2npf s ARG 399 Ca 0.00 -0.41 -0.29 0.00 -0.13 0.00 0.00 55.73 54.90 2npf s ARG 399 Cb 0.00 -1.48 0.00 0.00 -1.56 0.00 0.00 34.95 31.91 2npf s ARG 399 CO 0.00 -0.01 1.17 0.08 -0.81 0.00 0.00 175.30 175.73 2npf s VAL 400 N 0.81 4.39 -0.15 7.11 1.01 0.59 -2.25 120.40 131.92 2npf s VAL 400 Ca -0.12 1.64 0.14 0.00 0.00 0.00 0.00 61.98 63.65 2npf s VAL 400 Cb -0.15 -4.22 -0.24 0.00 0.00 0.00 0.00 36.38 31.77 2npf s VAL 400 CO 0.02 -0.32 0.27 0.49 0.00 0.00 0.00 175.10 175.55 2npf n PHE 401 N 6.87 0.39 -3.76 5.22 3.72 0.29 0.11 117.46 130.30 2npf n PHE 401 Ca 0.13 0.13 -0.13 0.00 -0.05 0.00 0.00 57.45 57.54 2npf n PHE 401 Cb 0.46 -1.07 -0.11 0.00 -0.94 0.00 0.00 39.48 37.82 2npf n PHE 401 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2npf s ALA 402 N -2.53 -0.72 0.00 4.37 0.00 -1.11 -4.30 121.76 117.46 2npf s ALA 402 Ca -0.10 0.90 0.00 0.00 0.00 0.00 0.00 51.96 52.76 2npf s ALA 402 Cb 0.07 -0.53 0.00 0.00 0.00 0.00 0.00 23.12 22.66 2npf s ALA 402 CO 0.81 -0.15 0.00 0.41 0.00 0.00 0.00 175.76 176.83 2npf n GLY 403 N 3.20 -1.44 3.02 0.00 0.00 0.42 -1.21 105.19 109.18 2npf n GLY 403 Ca -0.15 -1.29 -0.13 0.00 0.00 0.00 0.00 46.02 44.44 2npf n GLY 403 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2npf s THR 404 N 0.00 -0.39 0.53 2.61 -4.23 -1.16 -0.50 115.64 112.49 2npf s THR 404 Ca 0.00 0.27 -0.20 0.00 -1.18 0.00 0.00 61.69 60.57 2npf s THR 404 Cb 0.00 -0.45 -0.06 0.00 1.34 0.00 0.00 72.50 73.33 2npf s THR 404 CO 0.00 0.11 1.16 0.54 -0.54 0.00 0.00 174.62 175.89 2npf s VAL 405 N 2.33 3.02 0.00 2.29 0.11 -1.02 -4.76 120.40 122.38 2npf s VAL 405 Ca 0.00 0.68 -0.00 0.00 -2.93 0.00 0.00 61.98 59.72 2npf s VAL 405 Cb -0.12 -3.29 -0.00 0.00 -1.53 0.00 0.00 36.38 31.43 2npf s VAL 405 CO -0.09 -0.10 0.00 -0.54 -3.33 0.00 0.00 175.10 171.04 2npf s LYS 406 N -3.13 0.10 -0.19 1.54 1.02 -1.26 -1.17 119.74 116.65 2npf s LYS 406 Ca 0.71 -0.15 -0.29 0.00 0.02 0.00 0.00 55.97 56.26 2npf s LYS 406 Cb -0.27 0.04 -0.07 0.00 -0.52 0.00 0.00 37.83 37.01 2npf s LYS 406 CO 0.31 -0.02 2.18 0.43 -0.92 0.00 0.00 175.35 177.33 2npf n SER 407 N 2.67 3.26 0.00 2.83 7.64 0.23 -1.41 113.62 128.84 2npf n SER 407 Ca -0.15 0.34 0.00 0.00 1.01 0.00 0.00 58.87 60.07 2npf n SER 407 Cb 0.59 -1.51 0.00 0.00 -1.01 0.00 0.00 64.21 62.27 2npf n SER 407 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2npf n GLY 408 N 5.65 3.19 2.29 0.23 0.00 0.67 -4.95 105.19 112.26 2npf n GLY 408 Ca 0.30 -1.00 -0.39 0.00 0.00 0.00 0.00 46.02 44.93 2npf n GLY 408 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2npf n GLN 409 N 0.00 0.00 -2.75 1.61 7.27 -0.50 -3.83 117.38 119.18 2npf n GLN 409 Ca 0.00 0.00 -0.35 0.00 0.07 0.00 0.00 57.00 56.72 2npf n GLN 409 Cb 0.00 -0.98 -0.06 0.00 2.41 0.00 0.00 30.24 31.61 2npf n GLN 409 CO 0.00 0.00 0.00 0.15 0.07 0.00 0.00 177.06 177.28 2npf s LYS 410 N 0.09 4.38 0.11 3.69 3.01 -1.26 -2.14 119.74 127.62 2npf s LYS 410 Ca 0.60 1.28 -0.02 0.00 -1.01 0.00 0.00 55.97 56.82 2npf s LYS 410 Cb -0.84 -2.53 -0.04 0.00 -1.01 0.00 0.00 37.83 33.42 2npf s LYS 410 CO 0.38 0.09 0.06 0.08 0.51 0.00 0.00 175.35 176.47 2npf s VAL 411 N -1.83 0.13 -0.77 3.17 1.01 0.24 -4.94 120.40 117.40 2npf s VAL 411 Ca 0.56 -1.81 -0.12 0.00 0.00 0.00 0.00 61.98 60.61 2npf s VAL 411 Cb -0.16 -1.86 0.20 0.00 0.00 0.00 0.00 36.38 34.57 2npf s VAL 411 CO 0.20 -0.60 0.69 -0.13 0.00 0.00 0.00 175.10 175.26 2npf s ARG 412 N -4.00 3.35 -0.37 2.72 0.52 -0.28 -2.27 118.95 118.63 2npf s ARG 412 Ca 0.18 -2.45 -0.28 0.00 -0.52 0.00 0.00 55.73 52.66 2npf s ARG 412 Cb 0.07 -4.27 -0.01 0.00 0.52 0.00 0.00 34.95 31.26 2npf s ARG 412 CO -0.02 -1.27 1.74 0.42 0.02 0.00 0.00 175.30 176.19 2npf s ILE 413 N 0.16 3.54 -0.41 1.52 -1.09 0.20 -2.72 121.20 122.40 2npf s ILE 413 Ca 0.17 0.53 -0.13 0.00 -2.23 0.00 0.00 60.65 59.00 2npf s ILE 413 Cb -0.13 -3.76 0.04 0.00 -1.58 0.00 0.00 42.46 37.03 2npf s ILE 413 CO -0.07 -0.51 0.28 -1.10 -1.23 0.00 0.00 174.94 172.31 2npf s GLN 414 N 5.65 2.86 0.90 2.79 -0.21 0.12 -1.62 119.66 130.15 2npf s GLN 414 Ca 0.76 -1.18 -0.11 0.00 0.02 0.00 0.00 55.36 54.85 2npf s GLN 414 Cb -0.20 -3.90 0.13 0.00 1.00 0.00 0.00 33.01 30.05 2npf s GLN 414 CO 0.32 -0.82 1.10 0.20 -2.12 0.00 0.00 175.29 173.97 2npf s GLY 415 N 1.89 1.65 0.63 3.09 0.00 0.11 -2.29 107.32 112.40 2npf s GLY 415 Ca 0.03 0.24 0.18 0.00 0.00 0.00 0.00 44.72 45.17 2npf s GLY 415 CO 0.07 0.69 1.25 -2.55 0.00 0.00 0.00 173.10 172.57 2npf h PRO 416 N -1.68 0.00 0.00 2.90 0.11 -1.89 -1.81 132.00 129.63 2npf h PRO 416 Ca -0.47 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.55 2npf h PRO 416 Cb 1.27 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.36 2npf h PRO 416 CO 0.49 0.00 -1.65 0.09 -0.21 0.00 0.00 178.00 176.71 2npf n ASN 417 N -3.00 2.20 -3.19 -2.05 3.02 -1.26 -5.00 115.26 105.98 2npf n ASN 417 Ca 0.13 0.00 -0.29 0.00 -0.03 0.00 0.00 54.58 54.40 2npf n ASN 417 Cb 1.26 1.23 0.02 0.00 -0.61 0.00 0.00 39.78 41.68 2npf n ASN 417 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2npf n TYR 418 N -2.14 -3.59 -3.65 3.10 9.36 -0.68 -5.01 117.16 114.55 2npf n TYR 418 Ca -0.09 0.08 -0.01 0.00 3.32 0.00 0.00 57.90 61.19 2npf n TYR 418 Cb 0.56 -1.18 -0.07 0.00 -0.63 0.00 0.00 39.34 38.02 2npf n TYR 418 CO 0.00 0.00 0.00 0.08 0.22 0.00 0.00 176.86 177.16 2npf s VAL 419 N -1.57 0.00 0.12 2.97 1.01 -1.26 -4.84 120.40 116.84 2npf s VAL 419 Ca 0.35 0.00 0.10 0.00 0.00 0.00 0.00 61.98 62.43 2npf s VAL 419 Cb -0.21 -1.00 0.15 0.00 0.00 0.00 0.00 36.38 35.32 2npf s VAL 419 CO 0.61 0.00 0.39 -2.65 0.00 0.00 0.00 175.10 173.45 2npf n PRO 420 N 2.50 -0.01 0.04 2.72 -0.02 -1.26 -1.92 135.00 137.06 2npf n PRO 420 Ca -0.14 0.30 0.12 0.00 -2.02 0.00 0.00 63.50 61.76 2npf n PRO 420 Cb 0.57 -0.62 0.31 0.00 -0.02 0.00 0.00 33.50 33.73 2npf n PRO 420 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2npf n GLY 421 N -1.17 -1.42 3.40 -1.23 0.00 -1.26 -4.93 105.19 98.57 2npf n GLY 421 Ca 0.11 -0.22 -0.20 0.00 0.00 0.00 0.00 46.02 45.71 2npf n GLY 421 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2npf s LYS 422 N -3.08 1.56 -0.17 1.61 -0.14 -0.81 -5.06 119.74 113.66 2npf s LYS 422 Ca 0.10 -1.86 0.16 0.00 -1.36 0.00 0.00 55.97 53.00 2npf s LYS 422 Cb 0.15 -0.61 0.65 0.00 -1.68 0.00 0.00 37.83 36.35 2npf s LYS 422 CO 0.66 -0.24 1.57 1.63 -0.76 0.00 0.00 175.35 178.21 2npf n LYS 423 N -0.60 3.77 -2.64 1.68 4.76 -1.26 -4.66 118.16 119.21 2npf n LYS 423 Ca -0.01 -2.89 -0.41 0.00 -2.87 0.00 0.00 58.31 52.13 2npf n LYS 423 Cb 0.66 -1.94 -0.05 0.00 -1.84 0.00 0.00 35.03 31.86 2npf n LYS 423 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 2npf s ASP 424 N -1.23 7.45 0.00 4.39 -1.08 -1.26 -3.27 116.67 121.67 2npf s ASP 424 Ca 0.47 2.01 0.00 0.00 -0.52 0.00 0.00 52.55 54.51 2npf s ASP 424 Cb 0.34 -2.61 0.00 0.00 -1.46 0.00 0.00 42.92 39.20 2npf s ASP 424 CO 0.16 -0.04 0.00 0.47 0.52 0.00 0.00 175.17 176.28 2npf n ASP 425 N 1.93 0.00 -4.86 -0.34 8.00 -1.26 -3.94 116.55 116.08 2npf n ASP 425 Ca 0.00 0.00 -0.33 0.00 0.71 0.00 0.00 54.79 55.17 2npf n ASP 425 Cb 0.47 -0.82 -0.06 0.00 -0.02 0.00 0.00 41.12 40.69 2npf n ASP 425 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2npf s LEU 426 N 0.00 4.19 -0.27 0.64 2.96 -1.20 0.10 118.68 125.09 2npf s LEU 426 Ca 0.00 1.07 -0.07 0.00 -0.22 0.00 0.00 54.13 54.90 2npf s LEU 426 Cb 0.00 -3.68 0.13 0.00 0.50 0.00 0.00 46.19 43.14 2npf s LEU 426 CO 0.00 -0.06 0.56 -0.36 -1.32 0.00 0.00 176.35 175.17 2npf s PHE 427 N -1.76 -1.20 -0.52 5.38 0.08 -0.64 -4.98 117.98 114.34 2npf s PHE 427 Ca 0.47 1.92 -0.10 0.00 0.12 0.00 0.00 56.93 59.34 2npf s PHE 427 Cb -0.12 0.58 0.13 0.00 -0.57 0.00 0.00 43.02 43.04 2npf s PHE 427 CO 0.20 -0.65 0.41 0.42 -0.10 0.00 0.00 175.22 175.49 2npf s ILE 428 N 2.79 4.41 0.42 0.64 1.09 -1.26 0.59 121.20 129.88 2npf s ILE 428 Ca 0.00 -1.90 0.04 0.00 -1.10 0.00 0.00 60.65 57.69 2npf s ILE 428 Cb -0.13 -3.87 -0.02 0.00 -1.06 0.00 0.00 42.46 37.38 2npf s ILE 428 CO -0.17 -0.82 0.13 -0.54 -0.10 0.00 0.00 174.94 173.44 2npf s LYS 429 N 1.18 1.97 -0.08 2.79 -0.14 -0.96 -4.91 119.74 119.59 2npf s LYS 429 Ca 0.07 -2.21 -0.01 0.00 -1.36 0.00 0.00 55.97 52.46 2npf s LYS 429 Cb -0.25 -0.66 -0.03 0.00 -1.68 0.00 0.00 37.83 35.21 2npf s LYS 429 CO -0.01 -0.49 -0.01 0.00 -0.76 0.00 0.00 175.35 174.08 2npf s ALA 430 N -3.17 3.22 -0.54 5.17 0.00 -1.26 -0.60 121.76 124.58 2npf s ALA 430 Ca 0.22 -0.83 -0.28 0.00 0.00 0.00 0.00 51.96 51.07 2npf s ALA 430 Cb 0.02 -1.42 0.00 0.00 0.00 0.00 0.00 23.12 21.73 2npf s ALA 430 CO 0.14 0.59 1.55 0.42 0.00 0.00 0.00 175.76 178.46 2npf s ILE 431 N -0.88 3.66 0.60 0.00 -1.09 -0.91 -4.86 121.20 117.73 2npf s ILE 431 Ca 0.13 0.56 0.31 0.00 -2.23 0.00 0.00 60.65 59.42 2npf s ILE 431 Cb -0.11 -4.24 0.37 0.00 -1.58 0.00 0.00 42.46 36.89 2npf s ILE 431 CO 0.02 -1.02 2.20 -0.61 -1.23 0.00 0.00 174.94 174.31 2npf h GLN 432 N 12.03 0.00 0.00 2.79 4.15 -1.78 0.19 115.11 132.49 2npf h GLN 432 Ca -0.28 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.14 2npf h GLN 432 Cb 1.12 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.81 2npf h GLN 432 CO 1.17 0.00 0.00 -2.13 -1.93 0.00 0.00 178.83 175.94 2npf n ARG 433 N -3.72 0.00 -3.92 1.69 3.00 -1.22 -4.62 116.66 107.87 2npf n ARG 433 Ca -0.01 0.00 -0.37 0.00 -0.00 0.00 0.00 57.85 57.47 2npf n ARG 433 Cb 0.18 0.00 -0.07 0.00 0.00 0.00 0.00 32.46 32.57 2npf n ARG 433 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 2npf s VAL 434 N -1.25 5.38 0.08 5.15 1.01 -1.26 -2.17 120.40 127.34 2npf s VAL 434 Ca 0.00 0.16 -0.08 0.00 0.00 0.00 0.00 61.98 62.07 2npf s VAL 434 Cb 0.00 -3.35 -0.01 0.00 0.00 0.00 0.00 36.38 33.02 2npf s VAL 434 CO 0.00 0.60 0.16 0.68 0.00 0.00 0.00 175.10 176.54 2npf s VAL 435 N -0.90 0.15 -0.09 2.92 -7.23 -0.15 -1.13 120.40 113.97 2npf s VAL 435 Ca 0.14 -1.23 -0.18 0.00 -1.81 0.00 0.00 61.98 58.89 2npf s VAL 435 Cb -0.12 -1.31 -0.04 0.00 0.56 0.00 0.00 36.38 35.47 2npf s VAL 435 CO 0.03 -0.68 0.50 -0.76 -0.31 0.00 0.00 175.10 173.88 2npf s LEU 436 N -2.77 4.31 -1.18 1.32 1.43 -0.60 -0.82 118.68 120.37 2npf s LEU 436 Ca 0.04 0.88 -0.14 0.00 -1.03 0.00 0.00 54.13 53.88 2npf s LEU 436 Cb 0.05 -2.73 0.18 0.00 0.03 0.00 0.00 46.19 43.71 2npf s LEU 436 CO -0.10 0.03 1.38 -0.04 0.23 0.00 0.00 176.35 177.85 2npf s MET 437 N 0.42 4.07 -1.38 1.70 -1.94 -1.26 -2.10 119.30 118.82 2npf s MET 437 Ca 0.27 -2.59 -0.10 0.00 -1.71 0.00 0.00 55.69 51.56 2npf s MET 437 Cb -0.16 -5.00 0.09 0.00 2.01 0.00 0.00 34.83 31.77 2npf s MET 437 CO 0.12 -1.72 2.21 -1.33 -0.01 0.00 0.00 175.02 174.29 2npf n MET 438 N 5.42 3.67 0.00 2.03 0.00 0.22 -4.54 117.12 123.92 2npf n MET 438 Ca 0.35 -3.13 0.00 0.00 0.00 0.00 0.00 57.70 54.92 2npf n MET 438 Cb 0.43 -2.93 0.00 0.00 0.00 0.00 0.00 33.22 30.72 2npf n MET 438 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2npf n GLY 439 N 2.96 2.85 0.00 3.03 0.00 -0.76 -1.65 105.19 111.62 2npf n GLY 439 Ca 0.52 -0.23 0.07 0.00 0.00 0.00 0.00 46.02 46.38 2npf n GLY 439 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2npf n ARG 440 N 13.47 0.76 -4.52 1.61 1.74 -1.26 -4.18 116.66 124.29 2npf n ARG 440 Ca 0.00 0.00 -0.21 0.00 -0.77 0.00 0.00 57.85 56.87 2npf n ARG 440 Cb 0.00 -1.29 -0.14 0.00 -1.02 0.00 0.00 32.46 30.00 2npf n ARG 440 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 2npf s PHE 441 N -2.00 1.19 0.08 -1.55 0.08 -0.66 -1.84 117.98 113.28 2npf s PHE 441 Ca 0.21 -0.26 0.06 0.00 0.12 0.00 0.00 56.93 57.06 2npf s PHE 441 Cb 0.10 -0.75 -0.04 0.00 -0.57 0.00 0.00 43.02 41.76 2npf s PHE 441 CO 0.17 -0.00 -0.07 0.14 -0.10 0.00 0.00 175.22 175.36 2npf s VAL 442 N -0.48 3.59 -0.11 -0.44 -7.23 -1.26 0.72 120.40 115.20 2npf s VAL 442 Ca 0.04 -1.09 -0.02 0.00 -1.81 0.00 0.00 61.98 59.10 2npf s VAL 442 Cb -0.06 -2.66 0.04 0.00 0.56 0.00 0.00 36.38 34.26 2npf s VAL 442 CO 0.00 0.18 0.01 -0.70 -0.31 0.00 0.00 175.10 174.28 2npf s GLU 443 N -2.05 0.64 0.24 4.82 2.56 -0.89 -4.91 118.70 119.10 2npf s GLU 443 Ca 0.21 -0.05 -0.30 0.00 0.00 0.00 0.00 54.97 54.83 2npf s GLU 443 Cb -0.11 -1.33 -0.14 0.00 2.00 0.00 0.00 34.13 34.54 2npf s GLU 443 CO 0.13 -0.40 1.14 -2.30 -0.56 0.00 0.00 175.26 173.27 2npf n PRO 444 N 5.12 1.44 -4.12 4.30 -0.02 -1.26 -1.55 135.00 138.91 2npf n PRO 444 Ca -0.08 0.51 -0.10 0.00 -2.02 0.00 0.00 63.50 61.81 2npf n PRO 444 Cb 0.49 -1.98 -0.10 0.00 -0.02 0.00 0.00 33.50 31.89 2npf n PRO 444 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 2npf s ILE 445 N -0.59 0.53 0.01 4.25 1.10 -0.28 -4.87 121.20 121.35 2npf s ILE 445 Ca 0.65 -1.69 -0.11 0.00 -0.51 0.00 0.00 60.65 59.00 2npf s ILE 445 Cb -0.74 -1.36 -0.32 0.00 0.15 0.00 0.00 42.46 40.19 2npf s ILE 445 CO 0.56 -0.79 0.90 0.44 -2.11 0.00 0.00 174.94 173.94 2npf h ASP 446 N 3.39 0.65 -5.06 4.50 3.32 -1.96 -3.35 116.42 117.91 2npf h ASP 446 Ca -0.35 -0.79 0.04 0.00 0.02 0.00 0.00 57.03 55.95 2npf h ASP 446 Cb 1.17 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 40.48 2npf h ASP 446 CO 0.59 1.64 0.31 1.51 -1.72 0.00 0.00 179.24 181.57 2npf s ASP 447 N -7.34 -0.09 -0.17 6.45 1.47 -1.26 -0.60 116.67 115.12 2npf s ASP 447 Ca -0.10 -0.88 -0.06 0.00 1.18 0.00 0.00 52.55 52.68 2npf s ASP 447 Cb 0.05 0.75 0.08 0.00 -0.34 0.00 0.00 42.92 43.47 2npf s ASP 447 CO 0.90 -1.46 0.36 0.00 0.68 0.00 0.00 175.17 175.65 2npf s PRO 449 N 2.40 4.35 0.58 0.00 0.04 -1.26 -2.44 135.00 138.68 2npf s PRO 449 Ca -0.02 1.17 -0.18 0.00 0.04 0.00 0.00 61.00 62.01 2npf s PRO 449 Cb -0.12 -2.45 -0.15 0.00 0.04 0.00 0.00 34.50 31.82 2npf s PRO 449 CO -0.11 0.11 -0.24 0.00 0.04 0.00 0.00 177.00 176.80 2npf n ALA 450 N -0.12 -3.47 -0.51 8.56 0.00 0.35 -3.13 120.51 122.18 2npf n ALA 450 Ca 0.05 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.33 2npf n ALA 450 Cb 0.52 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.62 2npf n ALA 450 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2npf n GLY 451 N 2.65 0.75 3.58 0.00 0.00 0.30 -4.92 105.19 107.55 2npf n GLY 451 Ca 0.06 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.84 2npf n GLY 451 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2npf s ASN 452 N -2.80 4.22 -0.10 1.61 0.01 -1.18 -4.73 114.94 111.96 2npf s ASN 452 Ca 0.00 -0.70 -0.11 0.00 -0.71 0.00 0.00 52.86 51.33 2npf s ASN 452 Cb 0.00 -0.68 -0.05 0.00 0.41 0.00 0.00 41.25 40.94 2npf s ASN 452 CO 0.00 0.05 0.26 -0.63 -1.51 0.00 0.00 177.10 175.27 2npf s ILE 453 N -2.12 5.30 0.07 0.60 -1.09 -1.26 -0.30 121.20 122.41 2npf s ILE 453 Ca 0.28 0.49 -0.26 0.00 -2.23 0.00 0.00 60.65 58.94 2npf s ILE 453 Cb -0.07 -3.56 0.08 0.00 -1.58 0.00 0.00 42.46 37.33 2npf s ILE 453 CO 0.17 0.53 0.72 -0.51 -1.23 0.00 0.00 174.94 174.62 2npf s ILE 454 N -0.52 0.00 0.11 2.92 -1.16 0.28 -4.86 121.20 117.97 2npf s ILE 454 Ca 0.18 0.00 0.07 0.00 -0.51 0.00 0.00 60.65 60.38 2npf s ILE 454 Cb -0.14 -1.00 -0.04 0.00 0.61 0.00 0.00 42.46 41.89 2npf s ILE 454 CO 0.06 0.00 -0.07 -0.83 -2.81 0.00 0.00 174.94 171.29 2npf s GLY 455 N -2.47 1.82 -0.07 1.50 0.00 0.00 -1.70 107.32 106.40 2npf s GLY 455 Ca 0.01 -1.23 0.04 0.00 0.00 0.00 0.00 44.72 43.54 2npf s GLY 455 CO -0.09 -1.21 -0.19 1.08 0.00 0.00 0.00 173.10 172.69 2npf s LEU 456 N -2.30 1.90 -0.12 0.66 1.43 0.13 -0.98 118.68 119.39 2npf s LEU 456 Ca 0.23 -0.42 -0.05 0.00 -1.03 0.00 0.00 54.13 52.86 2npf s LEU 456 Cb -0.11 -1.11 -0.04 0.00 0.03 0.00 0.00 46.19 44.96 2npf s LEU 456 CO 0.15 0.12 0.07 0.54 0.23 0.00 0.00 176.35 177.46 2npf s VAL 457 N 0.34 4.90 0.00 -1.59 0.11 -0.92 -0.62 120.40 122.62 2npf s VAL 457 Ca -0.13 -0.02 0.00 0.00 -2.93 0.00 0.00 61.98 58.91 2npf s VAL 457 Cb -0.15 -3.13 0.00 0.00 -1.53 0.00 0.00 36.38 31.57 2npf s VAL 457 CO 0.05 0.57 0.00 0.61 -3.33 0.00 0.00 175.10 173.01 2npf n GLY 458 N 2.44 1.63 0.00 6.54 0.00 -1.26 -2.71 105.19 111.82 2npf n GLY 458 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.83 2npf n GLY 458 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2npf n ILE 459 N -0.56 0.13 0.00 -0.61 5.41 -1.26 -4.66 119.36 117.80 2npf n ILE 459 Ca 0.00 -0.23 0.00 0.00 1.00 0.00 0.00 62.75 63.52 2npf n ILE 459 Cb 0.00 1.35 0.00 0.00 -0.71 0.00 0.00 39.64 40.28 2npf n ILE 459 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 2npf n ASP 460 N -0.06 0.00 -0.34 4.38 9.92 -1.26 -2.33 116.55 126.86 2npf n ASP 460 Ca 0.00 0.76 0.04 0.00 -0.53 0.00 0.00 54.79 55.06 2npf n ASP 460 Cb 0.26 -0.26 0.22 0.00 -0.64 0.00 0.00 41.12 40.69 2npf n ASP 460 CO 0.00 0.00 0.00 1.56 0.13 0.00 0.00 177.20 178.89 2npf h GLN 461 N 0.00 1.05 0.00 -1.24 7.50 -1.95 -2.72 115.11 117.76 2npf h GLN 461 Ca 0.00 -0.06 0.00 0.00 0.50 0.00 0.00 58.65 59.09 2npf h GLN 461 Cb 0.00 -0.24 0.00 0.00 0.05 0.00 0.00 27.48 27.29 2npf h GLN 461 CO 0.00 0.69 0.00 1.19 -1.50 0.00 0.00 178.83 179.21 2npf n PHE 462 N -4.51 0.00 -3.64 2.96 3.72 -1.09 -4.81 117.46 110.09 2npf n PHE 462 Ca 0.15 0.00 -0.03 0.00 -0.05 0.00 0.00 57.45 57.53 2npf n PHE 462 Cb 0.22 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 38.69 2npf n PHE 462 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 2npf s LEU 463 N -1.40 -0.47 -0.16 4.37 2.96 -0.98 -4.94 118.68 118.06 2npf s LEU 463 Ca 0.19 0.76 -0.02 0.00 -0.22 0.00 0.00 54.13 54.84 2npf s LEU 463 Cb 0.09 1.70 -0.01 0.00 0.50 0.00 0.00 46.19 48.46 2npf s LEU 463 CO 0.15 -0.12 -0.09 -0.76 -1.32 0.00 0.00 176.35 174.21 2npf s LEU 464 N 1.22 2.86 0.00 -0.68 1.43 -1.26 -4.68 118.68 117.56 2npf s LEU 464 Ca -0.08 -0.31 0.00 0.00 -1.03 0.00 0.00 54.13 52.71 2npf s LEU 464 Cb -0.04 -1.68 0.00 0.00 0.03 0.00 0.00 46.19 44.51 2npf s LEU 464 CO -0.14 0.11 0.00 0.29 0.23 0.00 0.00 176.35 176.84 2npf n LYS 465 N 3.91 0.00 -1.37 1.70 5.02 -1.26 -4.83 118.16 121.33 2npf n LYS 465 Ca -0.18 0.00 -0.31 0.00 -2.02 0.00 0.00 58.31 55.80 2npf n LYS 465 Cb 0.52 0.00 0.08 0.00 -0.02 0.00 0.00 35.03 35.61 2npf n LYS 465 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 2npf s THR 466 N 0.00 3.48 0.00 -0.18 -1.32 -1.26 -4.24 115.64 112.12 2npf s THR 466 Ca 0.00 0.50 0.00 0.00 -1.21 0.00 0.00 61.69 60.98 2npf s THR 466 Cb 0.00 -3.04 0.00 0.00 -1.51 0.00 0.00 72.50 67.95 2npf s THR 466 CO 0.00 -0.61 0.00 0.61 -2.21 0.00 0.00 174.62 172.41 2npf n GLY 467 N -1.33 0.66 3.78 6.08 0.00 -0.76 -4.71 105.19 108.92 2npf n GLY 467 Ca 0.09 -0.71 -0.34 0.00 0.00 0.00 0.00 46.02 45.05 2npf n GLY 467 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2npf s THR 468 N -2.00 4.81 -0.18 2.61 2.01 -0.97 -0.58 115.64 121.35 2npf s THR 468 Ca 0.00 -0.24 0.01 0.00 0.31 0.00 0.00 61.69 61.77 2npf s THR 468 Cb 0.00 -3.14 0.02 0.00 0.01 0.00 0.00 72.50 69.39 2npf s THR 468 CO 0.00 0.46 -0.18 -0.76 -0.69 0.00 0.00 174.62 173.45 2npf s LEU 469 N -1.40 2.11 0.23 4.42 1.02 0.12 -0.70 118.68 124.49 2npf s LEU 469 Ca 0.19 -0.66 0.05 0.00 0.02 0.00 0.00 54.13 53.73 2npf s LEU 469 Cb -0.12 -1.43 -0.05 0.00 0.02 0.00 0.00 46.19 44.61 2npf s LEU 469 CO 0.09 -0.02 -0.04 0.42 0.02 0.00 0.00 176.35 176.83 2npf s THR 470 N 1.32 1.26 -0.03 5.49 -4.23 -1.10 -0.25 115.64 118.10 2npf s THR 470 Ca 0.04 -2.07 0.01 0.00 -1.18 0.00 0.00 61.69 58.49 2npf s THR 470 Cb -0.13 -2.30 -0.01 0.00 1.34 0.00 0.00 72.50 71.39 2npf s THR 470 CO -0.12 -0.38 0.03 1.07 -0.54 0.00 0.00 174.62 174.68 2npf n THR 471 N -0.44 0.00 -3.16 3.99 5.66 -1.15 -1.13 114.28 118.05 2npf n THR 471 Ca -0.06 -0.32 -0.33 0.00 -3.05 0.00 0.00 64.05 60.28 2npf n THR 471 Cb 0.63 0.82 -0.06 0.00 -1.55 0.00 0.00 70.33 70.18 2npf n THR 471 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 2npf s SER 472 N -1.43 6.82 0.22 1.09 0.15 -1.26 -4.83 113.70 114.46 2npf s SER 472 Ca 0.00 1.27 0.22 0.00 0.70 0.00 0.00 55.95 58.14 2npf s SER 472 Cb 0.01 -2.37 0.03 0.00 -1.71 0.00 0.00 66.02 61.98 2npf s SER 472 CO 0.04 -0.13 1.10 -0.33 1.20 0.00 0.00 173.24 175.12 2npf h GLU 473 N 2.59 0.00 0.00 5.44 5.08 -1.99 -3.28 114.58 122.42 2npf h GLU 473 Ca -0.48 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 57.83 2npf h GLU 473 Cb 1.18 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.42 2npf h GLU 473 CO 0.66 0.03 -1.08 1.15 -1.00 0.00 0.00 179.01 178.76 2npf h THR 474 N 0.00 0.18 -0.52 1.13 2.02 -1.99 -3.46 112.91 110.27 2npf h THR 474 Ca -0.01 -1.34 -0.71 0.00 0.77 0.00 0.00 66.41 65.12 2npf h THR 474 Cb 1.05 1.71 -0.03 0.00 -1.74 0.00 0.00 68.15 69.13 2npf h THR 474 CO 0.00 0.10 1.39 0.00 0.37 0.00 0.00 175.52 177.38 2npf n ALA 475 N -2.25 0.63 -1.05 6.16 0.00 -1.24 -4.94 120.51 117.83 2npf n ALA 475 Ca -0.03 0.04 -0.03 0.00 0.00 0.00 0.00 53.44 53.42 2npf n ALA 475 Cb 0.64 -2.32 0.04 0.00 0.00 0.00 0.00 19.45 17.82 2npf n ALA 475 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2npf n HIS 476 N 8.81 -3.39 -3.00 0.00 8.25 -1.26 -4.87 115.22 119.75 2npf n HIS 476 Ca 0.49 -0.17 -0.18 0.00 -0.26 0.00 0.00 57.72 57.60 2npf n HIS 476 Cb 0.09 -0.18 0.01 0.00 1.12 0.00 0.00 29.99 31.04 2npf n HIS 476 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 2npf s ASN 477 N -1.93 5.64 0.16 0.41 0.02 -1.26 -4.96 114.94 113.02 2npf s ASN 477 Ca 0.12 -0.31 0.03 0.00 -1.02 0.00 0.00 52.86 51.68 2npf s ASN 477 Cb -0.01 -0.79 -0.03 0.00 0.02 0.00 0.00 41.25 40.44 2npf s ASN 477 CO 0.09 -0.78 0.29 -0.04 0.02 0.00 0.00 177.10 176.67 2npf s MET 478 N -4.40 3.42 -0.89 -0.60 -1.94 -1.26 -2.59 119.30 111.03 2npf s MET 478 Ca 0.54 -0.64 -0.22 0.00 -1.71 0.00 0.00 55.69 53.67 2npf s MET 478 Cb -0.10 -2.94 -0.23 0.00 2.01 0.00 0.00 34.83 33.57 2npf s MET 478 CO 0.34 0.50 2.42 1.17 -0.01 0.00 0.00 175.02 179.44 2npf n LYS 479 N -0.68 0.24 -3.98 2.03 3.00 -0.89 -4.85 118.16 113.04 2npf n LYS 479 Ca -0.07 -0.14 -0.23 0.00 -0.00 0.00 0.00 58.31 57.87 2npf n LYS 479 Cb 0.54 -1.96 -0.06 0.00 0.00 0.00 0.00 35.03 33.56 2npf n LYS 479 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.40 177.54 2npf s VAL 480 N 7.19 2.87 0.72 3.15 -7.23 -1.26 -5.06 120.40 120.78 2npf s VAL 480 Ca 1.22 -1.60 -0.11 0.00 -1.81 0.00 0.00 61.98 59.68 2npf s VAL 480 Cb -0.77 -3.01 0.02 0.00 0.56 0.00 0.00 36.38 33.18 2npf s VAL 480 CO 0.42 -0.11 1.07 -0.04 -0.31 0.00 0.00 175.10 176.13 2npf s MET 481 N -3.92 2.70 0.61 4.82 1.00 -1.26 -5.06 119.30 118.19 2npf s MET 481 Ca 0.41 1.07 0.03 0.00 0.00 0.00 0.00 55.69 57.20 2npf s MET 481 Cb -0.02 -1.96 0.08 0.00 0.00 0.00 0.00 34.83 32.94 2npf s MET 481 CO 0.24 -1.29 0.85 0.15 0.00 0.00 0.00 175.02 174.97 2npf s LYS 482 N -4.88 2.17 -0.17 2.03 3.01 -1.26 -4.92 119.74 115.72 2npf s LYS 482 Ca 0.60 -1.15 -0.04 0.00 -1.01 0.00 0.00 55.97 54.37 2npf s LYS 482 Cb -0.16 -2.49 0.08 0.00 -1.01 0.00 0.00 37.83 34.26 2npf s LYS 482 CO 0.53 -1.00 0.23 -0.59 0.51 0.00 0.00 175.35 175.03 2npf s PHE 483 N -2.85 -0.31 -0.17 3.18 -0.12 -1.26 -5.12 117.98 111.34 2npf s PHE 483 Ca 0.62 0.45 -0.39 0.00 -0.05 0.00 0.00 56.93 57.56 2npf s PHE 483 Cb -0.07 -0.27 -0.18 0.00 -0.63 0.00 0.00 43.02 41.86 2npf s PHE 483 CO 0.40 -0.50 1.16 0.45 -0.05 0.00 0.00 175.22 176.68 2npf n SER 484 N 5.33 0.40 -0.06 1.98 2.88 -1.26 -4.87 113.62 118.03 2npf n SER 484 Ca -0.05 1.08 0.02 0.00 -1.33 0.00 0.00 58.87 58.58 2npf n SER 484 Cb 0.50 -0.83 0.02 0.00 -0.75 0.00 0.00 64.21 63.15 2npf n SER 484 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 2npf n VAL 485 N 2.23 0.81 -4.06 2.46 0.31 -1.26 -4.96 118.33 113.85 2npf n VAL 485 Ca 0.22 -0.87 -0.31 0.00 -0.01 0.00 0.00 64.34 63.37 2npf n VAL 485 Cb 0.03 0.50 -0.07 0.00 -0.91 0.00 0.00 33.84 33.39 2npf n VAL 485 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 2npf s SER 486 N -1.07 5.56 -0.13 4.52 0.01 -1.26 -5.04 113.70 116.29 2npf s SER 486 Ca 0.05 0.02 -0.29 0.00 1.31 0.00 0.00 55.95 57.04 2npf s SER 486 Cb 0.05 -1.51 -0.03 0.00 0.21 0.00 0.00 66.02 64.74 2npf s SER 486 CO 0.01 0.19 1.36 -2.84 0.41 0.00 0.00 173.24 172.37 2npf s PRO 487 N -2.25 4.23 0.00 12.44 0.02 -1.26 -4.38 135.00 143.79 2npf s PRO 487 Ca 0.28 1.80 0.00 0.00 0.02 0.00 0.00 61.00 63.10 2npf s PRO 487 Cb -0.12 -3.81 0.00 0.00 0.02 0.00 0.00 34.50 30.59 2npf s PRO 487 CO 0.20 -0.73 0.15 1.33 -0.33 0.00 0.00 177.00 177.62 2npf n VAL 488 N 5.35 0.00 -4.11 3.83 0.24 -0.39 -4.42 118.33 118.83 2npf n VAL 488 Ca 0.15 -0.35 -0.14 0.00 -2.04 0.00 0.00 64.34 61.95 2npf n VAL 488 Cb 0.44 1.13 -0.11 0.00 -1.47 0.00 0.00 33.84 33.83 2npf n VAL 488 CO 0.00 0.00 0.00 0.68 -2.14 0.00 0.00 176.83 175.37 2npf s VAL 489 N -0.41 0.75 -0.00 3.34 -7.23 -1.10 -4.59 120.40 111.16 2npf s VAL 489 Ca 0.00 -1.27 -0.28 0.00 -1.81 0.00 0.00 61.98 58.62 2npf s VAL 489 Cb 0.00 -0.90 0.10 0.00 0.56 0.00 0.00 36.38 36.13 2npf s VAL 489 CO 0.00 -0.40 0.83 0.00 -0.31 0.00 0.00 175.10 175.22 2npf s GLN 490 N -1.94 0.90 0.11 4.82 -2.07 -1.26 -0.25 119.66 119.97 2npf s GLN 490 Ca -0.04 -0.20 -0.09 0.00 -1.82 0.00 0.00 55.36 53.21 2npf s GLN 490 Cb -0.08 0.41 -0.00 0.00 -1.09 0.00 0.00 33.01 32.25 2npf s GLN 490 CO 0.00 -0.36 0.23 0.14 -1.32 0.00 0.00 175.29 173.98 2npf s VAL 491 N -2.69 0.12 0.12 3.63 -7.23 -1.10 -4.80 120.40 108.45 2npf s VAL 491 Ca 0.01 -1.21 -0.21 0.00 -1.81 0.00 0.00 61.98 58.76 2npf s VAL 491 Cb -0.01 -1.48 -0.07 0.00 0.56 0.00 0.00 36.38 35.38 2npf s VAL 491 CO -0.06 -0.53 0.65 0.00 -0.31 0.00 0.00 175.10 174.85 2npf s ALA 492 N -3.89 3.53 -0.14 1.32 0.00 0.19 -1.67 121.76 121.09 2npf s ALA 492 Ca 0.08 0.14 0.00 0.00 0.00 0.00 0.00 51.96 52.19 2npf s ALA 492 Cb 0.04 -2.75 0.02 0.00 0.00 0.00 0.00 23.12 20.44 2npf s ALA 492 CO -0.08 0.36 -0.14 0.08 0.00 0.00 0.00 175.76 175.99 2npf s VAL 493 N -1.18 1.52 0.03 0.00 1.01 0.04 -1.73 120.40 120.09 2npf s VAL 493 Ca 0.33 -0.60 0.02 0.00 0.00 0.00 0.00 61.98 61.73 2npf s VAL 493 Cb -0.20 -1.43 -0.02 0.00 0.00 0.00 0.00 36.38 34.73 2npf s VAL 493 CO 0.21 0.45 -0.06 -0.70 0.00 0.00 0.00 175.10 175.00 2npf s GLU 494 N 1.50 0.46 0.37 2.72 2.56 -0.93 -4.21 118.70 121.18 2npf s GLU 494 Ca 0.05 -0.62 -0.24 0.00 0.00 0.00 0.00 54.97 54.16 2npf s GLU 494 Cb -0.13 -0.25 -0.10 0.00 2.00 0.00 0.00 34.13 35.65 2npf s GLU 494 CO -0.10 0.05 0.97 0.14 -0.56 0.00 0.00 175.26 175.75 2npf s VAL 495 N -1.14 4.13 0.10 3.70 -7.23 -1.26 0.62 120.40 119.31 2npf s VAL 495 Ca -0.09 1.61 -0.11 0.00 -1.81 0.00 0.00 61.98 61.59 2npf s VAL 495 Cb -0.08 -3.82 -0.19 0.00 0.56 0.00 0.00 36.38 32.85 2npf s VAL 495 CO 0.00 -0.01 1.27 0.11 -0.31 0.00 0.00 175.10 176.15 2npf h LYS 496 N 2.67 0.65 -4.66 4.82 1.57 -1.69 -3.41 116.57 116.51 2npf h LYS 496 Ca -0.48 -0.63 -0.70 0.00 -1.87 0.00 0.00 60.65 56.97 2npf h LYS 496 Cb 1.19 0.16 -0.26 0.00 0.08 0.00 0.00 32.23 33.41 2npf h LYS 496 CO 0.63 1.24 -0.56 -0.80 -0.57 0.00 0.00 179.45 179.39 2npf s ASN 497 N -7.18 5.50 0.62 0.86 0.01 -1.26 -4.96 114.94 108.53 2npf s ASN 497 Ca -0.09 -0.96 0.23 0.00 -0.71 0.00 0.00 52.86 51.33 2npf s ASN 497 Cb 0.08 -1.95 0.91 0.00 0.41 0.00 0.00 41.25 40.69 2npf s ASN 497 CO 0.90 -0.32 1.38 0.00 -1.51 0.00 0.00 177.10 177.55 2npf h ALA 498 N 8.33 2.63 0.00 0.60 0.00 -2.00 0.36 119.26 129.18 2npf h ALA 498 Ca -0.26 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 2npf h ALA 498 Cb 1.10 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 2npf h ALA 498 CO 0.63 -1.41 -0.05 -0.91 0.00 0.00 0.00 179.25 177.51 2npf h ASN 499 N 0.00 0.00 1.32 0.00 2.35 -1.96 -3.13 115.58 114.15 2npf h ASN 499 Ca 0.35 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.10 2npf h ASN 499 Cb 2.41 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.78 2npf h ASN 499 CO -0.00 0.05 0.00 0.44 -1.65 0.00 0.00 177.43 176.27 2npf h ASP 500 N 0.00 0.00 -0.57 5.81 3.32 -0.69 -3.38 116.42 120.92 2npf h ASP 500 Ca -0.00 0.00 0.11 0.00 0.02 0.00 0.00 57.03 57.16 2npf h ASP 500 Cb 0.89 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 40.33 2npf h ASP 500 CO 0.01 0.00 -0.14 -0.11 -1.72 0.00 0.00 179.24 177.28 2npf n LEU 501 N -2.34 -0.20 -0.09 1.55 0.00 -1.19 0.14 117.00 114.88 2npf n LEU 501 Ca 0.04 0.97 0.05 0.00 0.00 0.00 0.00 56.01 57.08 2npf n LEU 501 Cb 0.38 -0.30 0.39 0.00 0.00 0.00 0.00 43.42 43.90 2npf n LEU 501 CO 0.28 -0.93 1.19 -0.65 0.00 0.00 0.00 177.39 177.28 2npf h PRO 502 N 0.00 0.64 0.00 1.96 0.11 -1.87 -0.15 132.00 132.68 2npf h PRO 502 Ca 0.27 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 66.28 2npf h PRO 502 Cb 0.42 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 31.38 2npf h PRO 502 CO -0.58 0.42 -0.29 0.87 -0.21 0.00 0.00 178.00 178.22 2npf h LYS 503 N 0.66 0.00 0.01 1.05 1.57 0.88 -0.48 116.57 120.25 2npf h LYS 503 Ca 0.22 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.99 2npf h LYS 503 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.39 2npf h LYS 503 CO -0.06 0.29 -0.04 1.25 -0.57 0.00 0.00 179.45 180.32 2npf h LEU 504 N 0.00 0.03 -0.14 2.94 5.85 -1.05 -0.23 115.31 122.71 2npf h LEU 504 Ca -0.00 -0.98 0.04 0.00 0.84 0.00 0.00 57.88 57.78 2npf h LEU 504 Cb 0.72 -0.01 -0.07 0.00 0.37 0.00 0.00 40.66 41.67 2npf h LEU 504 CO 0.04 1.00 -0.44 0.58 -0.34 0.00 0.00 178.44 179.28 2npf h VAL 505 N -0.95 0.12 0.35 1.05 2.07 -0.94 0.39 116.25 118.34 2npf h VAL 505 Ca -0.01 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.51 2npf h VAL 505 Cb 1.02 0.12 -0.03 0.00 -1.52 0.00 0.00 31.29 30.88 2npf h VAL 505 CO 0.01 0.00 -0.41 -0.08 0.02 0.00 0.00 177.57 177.11 2npf h GLU 506 N -0.50 -0.76 -0.94 1.57 4.57 -1.20 -2.34 114.58 114.99 2npf h GLU 506 Ca 0.07 0.05 0.27 0.00 -1.18 0.00 0.00 59.36 58.58 2npf h GLU 506 Cb 0.64 0.17 -0.15 0.00 -0.16 0.00 0.00 28.75 29.25 2npf h GLU 506 CO -0.41 -0.51 0.39 0.78 -1.18 0.00 0.00 179.01 178.08 2npf h GLY 507 N -0.79 1.68 0.95 1.92 0.00 -0.29 0.29 103.07 106.83 2npf h GLY 507 Ca -0.02 -0.13 -0.01 0.00 0.00 0.00 0.00 47.33 47.17 2npf h GLY 507 CO -0.10 -0.42 0.17 1.41 0.00 0.00 0.00 176.54 177.60 2npf h LEU 508 N 0.27 0.40 -0.73 3.11 3.38 0.27 -0.06 115.31 121.94 2npf h LEU 508 Ca 0.63 -0.10 0.07 0.00 0.09 0.00 0.00 57.88 58.58 2npf h LEU 508 Cb 1.36 -0.10 -0.06 0.00 0.09 0.00 0.00 40.66 41.95 2npf h LEU 508 CO -0.63 0.38 0.41 0.11 0.09 0.00 0.00 178.44 178.79 2npf h LYS 509 N 0.38 0.71 0.55 1.13 1.57 -0.08 -1.17 116.57 119.66 2npf h LYS 509 Ca 0.11 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.82 2npf h LYS 509 Cb 0.07 -0.16 0.01 0.00 0.08 0.00 0.00 32.23 32.23 2npf h LYS 509 CO -0.02 0.47 -0.26 0.00 -0.57 0.00 0.00 179.45 179.07 2npf h ARG 510 N 0.73 -0.71 -0.63 3.15 3.08 -0.73 -2.46 114.38 116.81 2npf h ARG 510 Ca 0.33 0.05 0.11 0.00 0.07 0.00 0.00 59.98 60.54 2npf h ARG 510 Cb 0.24 0.16 -0.12 0.00 0.08 0.00 0.00 29.97 30.33 2npf h ARG 510 CO -0.20 -0.45 -0.35 1.25 -1.07 0.00 0.00 179.97 179.14 2npf h LEU 511 N -0.80 -1.23 -0.41 3.04 5.85 -0.56 0.16 115.31 121.35 2npf h LEU 511 Ca -0.08 0.24 0.05 0.00 0.84 0.00 0.00 57.88 58.94 2npf h LEU 511 Cb 0.59 0.61 -0.05 0.00 0.37 0.00 0.00 40.66 42.18 2npf h LEU 511 CO 0.12 -0.31 0.13 0.28 -0.34 0.00 0.00 178.44 178.33 2npf h SER 512 N -0.16 0.12 0.05 1.25 0.02 -1.19 -0.46 113.55 113.18 2npf h SER 512 Ca 0.24 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.24 2npf h SER 512 Cb 0.56 0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.14 2npf h SER 512 CO -0.71 0.10 -0.05 0.50 -1.14 0.00 0.00 176.83 175.53 2npf h LYS 513 N 0.28 -0.11 0.00 3.45 3.64 -0.73 -2.39 116.57 120.72 2npf h LYS 513 Ca 0.19 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.58 2npf h LYS 513 Cb 0.19 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.04 2npf h LYS 513 CO -0.21 -0.07 0.00 -1.13 -2.27 0.00 0.00 179.45 175.77 2npf n SER 514 N -5.16 0.51 -3.61 4.20 3.41 -0.08 -4.43 113.62 108.47 2npf n SER 514 Ca -0.07 0.65 -0.28 0.00 -0.26 0.00 0.00 58.87 58.90 2npf n SER 514 Cb 0.09 -0.75 -0.16 0.00 -0.26 0.00 0.00 64.21 63.13 2npf n SER 514 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2npf s ASP 515 N -3.96 3.35 0.44 4.04 -1.08 -0.22 -5.00 116.67 114.25 2npf s ASP 515 Ca 0.03 -1.18 0.15 0.00 -0.52 0.00 0.00 52.55 51.03 2npf s ASP 515 Cb 0.08 -0.45 1.06 0.00 -1.46 0.00 0.00 42.92 42.15 2npf s ASP 515 CO 0.32 -0.41 1.98 -0.65 0.52 0.00 0.00 175.17 176.94 2npf h PRO 516 N 8.34 0.37 -0.35 4.34 0.11 -1.78 -2.51 132.00 140.52 2npf h PRO 516 Ca -0.18 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.91 2npf h PRO 516 Cb 1.05 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.07 2npf h PRO 516 CO 0.41 0.24 0.00 0.00 -0.21 0.00 0.00 178.00 178.44 2npf s VAL 518 N -1.53 5.02 -0.04 0.00 0.11 -0.94 -4.24 120.40 118.78 2npf s VAL 518 Ca 0.26 -0.72 0.02 0.00 -2.93 0.00 0.00 61.98 58.61 2npf s VAL 518 Cb 0.13 -3.52 0.01 0.00 -1.53 0.00 0.00 36.38 31.47 2npf s VAL 518 CO 0.18 -0.01 -0.10 -0.22 -3.33 0.00 0.00 175.10 171.63 2npf s LEU 519 N -2.90 1.65 0.01 2.54 2.96 -0.23 -4.92 118.68 117.79 2npf s LEU 519 Ca 0.33 -0.22 0.03 0.00 -0.22 0.00 0.00 54.13 54.05 2npf s LEU 519 Cb -0.11 -0.64 -0.01 0.00 0.50 0.00 0.00 46.19 45.92 2npf s LEU 519 CO 0.26 0.04 -0.11 0.42 -1.32 0.00 0.00 176.35 175.64 2npf s THR 520 N 0.48 0.84 0.22 3.68 -4.23 -1.26 0.99 115.64 116.36 2npf s THR 520 Ca -0.09 -0.60 -0.22 0.00 -1.18 0.00 0.00 61.69 59.60 2npf s THR 520 Cb -0.12 -0.73 0.06 0.00 1.34 0.00 0.00 72.50 73.04 2npf s THR 520 CO 0.02 0.13 0.91 -0.72 -0.54 0.00 0.00 174.62 174.41 2npf s TYR 521 N -0.45 -0.06 -0.27 3.99 -0.85 -0.63 -4.97 117.35 114.10 2npf s TYR 521 Ca 0.02 -0.34 -0.12 0.00 -0.52 0.00 0.00 57.07 56.11 2npf s TYR 521 Cb -0.05 0.70 -0.05 0.00 0.38 0.00 0.00 41.96 42.94 2npf s TYR 521 CO 0.00 -1.03 0.22 1.41 -1.52 0.00 0.00 175.55 174.63 2npf s MET 522 N -3.04 3.98 0.70 -3.49 -2.45 -1.26 0.03 119.30 113.76 2npf s MET 522 Ca 0.14 -0.24 -0.13 0.00 -1.25 0.00 0.00 55.69 54.21 2npf s MET 522 Cb -0.03 -3.64 0.02 0.00 1.25 0.00 0.00 34.83 32.43 2npf s MET 522 CO 0.05 -0.16 1.10 -1.54 1.05 0.00 0.00 175.02 175.52 2npf s SER 523 N 1.63 4.93 0.63 1.11 1.04 0.14 -4.86 113.70 118.33 2npf s SER 523 Ca 0.09 1.92 0.40 0.00 0.48 0.00 0.00 55.95 58.84 2npf s SER 523 Cb -0.16 -2.54 2.16 0.00 0.10 0.00 0.00 66.02 65.58 2npf s SER 523 CO 0.10 -1.75 2.30 -0.08 0.98 0.00 0.00 173.24 174.78 2npf h GLU 524 N -0.38 0.00 -0.49 4.02 4.57 -1.92 0.39 114.58 120.77 2npf h GLU 524 Ca -0.46 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.72 2npf h GLU 524 Cb 1.24 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.83 2npf h GLU 524 CO 0.53 0.01 0.00 0.43 -1.18 0.00 0.00 179.01 178.80 2npf n SER 525 N -3.27 2.59 -0.25 1.04 7.64 -1.26 -4.93 113.62 115.18 2npf n SER 525 Ca -0.03 -2.07 -0.03 0.00 1.01 0.00 0.00 58.87 57.76 2npf n SER 525 Cb 0.11 -0.34 -0.01 0.00 -1.01 0.00 0.00 64.21 62.96 2npf n SER 525 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2npf n GLY 526 N 1.12 0.39 3.71 0.23 0.00 0.14 -5.06 105.19 105.72 2npf n GLY 526 Ca 0.15 -0.86 -0.30 0.00 0.00 0.00 0.00 46.02 45.02 2npf n GLY 526 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2npf s GLU 527 N -3.33 2.63 -0.36 1.61 2.02 -1.24 -4.80 118.70 115.22 2npf s GLU 527 Ca 0.00 -0.83 -0.26 0.00 0.02 0.00 0.00 54.97 53.90 2npf s GLU 527 Cb 0.00 -2.57 0.02 0.00 0.10 0.00 0.00 34.13 31.67 2npf s GLU 527 CO 0.00 0.54 0.96 -1.01 0.02 0.00 0.00 175.26 175.76 2npf s HIS 528 N -1.38 3.08 -0.05 1.61 3.76 -1.26 0.28 115.29 121.33 2npf s HIS 528 Ca 0.27 0.85 -0.03 0.00 -0.15 0.00 0.00 55.06 55.99 2npf s HIS 528 Cb -0.12 -3.68 -0.04 0.00 1.11 0.00 0.00 32.58 29.86 2npf s HIS 528 CO 0.19 -0.83 0.12 0.42 -0.85 0.00 0.00 174.74 173.79 2npf s ILE 529 N 3.53 5.10 -0.26 0.60 1.09 0.10 -0.78 121.20 130.58 2npf s ILE 529 Ca 0.40 -0.14 -0.00 0.00 -1.10 0.00 0.00 60.65 59.80 2npf s ILE 529 Cb -0.12 -3.29 0.08 0.00 -1.06 0.00 0.00 42.46 38.07 2npf s ILE 529 CO 0.18 0.45 0.03 -0.69 -0.10 0.00 0.00 174.94 174.81 2npf s VAL 530 N -1.14 1.17 -0.12 2.92 1.01 -0.67 -1.61 120.40 121.96 2npf s VAL 530 Ca 0.21 -1.24 -0.08 0.00 0.00 0.00 0.00 61.98 60.87 2npf s VAL 530 Cb -0.12 -1.67 -0.04 0.00 0.00 0.00 0.00 36.38 34.54 2npf s VAL 530 CO 0.11 -0.36 0.15 0.00 0.00 0.00 0.00 175.10 175.00 2npf s ALA 531 N 1.52 3.86 0.50 5.51 0.00 0.28 -2.71 121.76 130.72 2npf s ALA 531 Ca 0.02 -0.62 0.04 0.00 0.00 0.00 0.00 51.96 51.39 2npf s ALA 531 Cb -0.18 -2.00 -0.01 0.00 0.00 0.00 0.00 23.12 20.93 2npf s ALA 531 CO -0.13 0.58 0.15 0.20 0.00 0.00 0.00 175.76 176.57 2npf s GLY 532 N -0.94 2.70 0.22 0.00 0.00 0.65 -1.06 107.32 108.89 2npf s GLY 532 Ca 0.15 -0.99 0.25 0.00 0.00 0.00 0.00 44.72 44.13 2npf s GLY 532 CO 0.04 -2.08 1.57 -0.84 0.00 0.00 0.00 173.10 171.80 2npf h THR 533 N 1.19 0.00 -1.34 0.90 2.02 -1.76 -0.99 112.91 112.94 2npf h THR 533 Ca -0.42 -0.60 0.36 0.00 0.77 0.00 0.00 66.41 66.53 2npf h THR 533 Cb 1.30 1.44 -0.12 0.00 -1.74 0.00 0.00 68.15 69.03 2npf h THR 533 CO 0.69 0.00 0.91 -0.83 0.37 0.00 0.00 175.52 176.66 2npf s GLY 534 N -3.75 -0.43 0.02 2.16 0.00 -1.26 -4.49 107.32 99.57 2npf s GLY 534 Ca 0.08 0.74 -0.04 0.00 0.00 0.00 0.00 44.72 45.50 2npf s GLY 534 CO 0.66 0.79 1.06 0.83 0.00 0.00 0.00 173.10 176.44 2npf h GLU 535 N 2.00 -0.03 -0.40 2.90 4.39 -1.96 -1.30 114.58 120.18 2npf h GLU 535 Ca -0.31 0.00 0.08 0.00 0.34 0.00 0.00 59.36 59.47 2npf h GLU 535 Cb 1.20 0.01 -0.08 0.00 -0.10 0.00 0.00 28.75 29.77 2npf h GLU 535 CO 0.29 -0.02 -0.14 1.25 -1.16 0.00 0.00 179.01 179.24 2npf h LEU 536 N -0.03 -0.49 -0.25 1.33 5.85 -1.98 0.80 115.31 120.54 2npf h LEU 536 Ca 0.01 0.13 0.06 0.00 0.84 0.00 0.00 57.88 58.93 2npf h LEU 536 Cb 0.06 0.29 -0.07 0.00 0.37 0.00 0.00 40.66 41.32 2npf h LEU 536 CO -0.08 -0.17 -0.23 -0.74 -0.34 0.00 0.00 178.44 176.87 2npf h HIS 537 N -0.05 -0.62 -0.99 1.25 2.76 -1.85 -0.18 115.15 115.47 2npf h HIS 537 Ca 0.20 0.04 0.02 0.00 -2.20 0.00 0.00 60.37 58.42 2npf h HIS 537 Cb 0.35 0.31 -0.05 0.00 1.55 0.00 0.00 27.41 29.57 2npf h HIS 537 CO -0.39 -0.31 0.65 1.25 -1.30 0.00 0.00 177.93 177.83 2npf h LEU 538 N -0.24 1.12 -0.43 0.26 5.85 -0.69 -0.95 115.31 120.24 2npf h LEU 538 Ca 0.14 -0.03 0.08 0.00 0.84 0.00 0.00 57.88 58.92 2npf h LEU 538 Cb 0.45 -0.28 -0.07 0.00 0.37 0.00 0.00 40.66 41.13 2npf h LEU 538 CO -0.38 0.80 -0.04 -0.33 -0.34 0.00 0.00 178.44 178.15 2npf h GLU 539 N 1.32 0.07 -0.03 1.25 4.39 0.94 0.19 114.58 122.71 2npf h GLU 539 Ca 0.37 -0.00 -0.20 0.00 0.34 0.00 0.00 59.36 59.86 2npf h GLU 539 Cb -0.12 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 28.51 2npf h GLU 539 CO -0.09 0.04 -0.83 -0.84 -1.16 0.00 0.00 179.01 176.14 2npf h ILE 540 N 0.07 1.41 -0.55 3.13 3.07 -1.04 -2.40 117.51 121.20 2npf h ILE 540 Ca 0.21 -2.33 0.08 0.00 1.55 0.00 0.00 64.86 64.37 2npf h ILE 540 Cb 0.32 2.28 -0.07 0.00 -0.27 0.00 0.00 36.82 39.08 2npf h ILE 540 CO -0.39 0.70 0.18 0.00 -1.05 0.00 0.00 178.15 177.58 2npf h LEU 542 N 0.34 0.44 -0.30 0.00 3.38 -0.60 0.66 115.31 119.22 2npf h LEU 542 Ca 0.27 -0.18 0.01 0.00 0.09 0.00 0.00 57.88 58.07 2npf h LEU 542 Cb 0.33 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 2npf h LEU 542 CO -0.30 0.50 0.18 -0.61 0.09 0.00 0.00 178.44 178.31 2npf h GLN 543 N 0.35 0.37 0.41 1.13 5.75 -0.72 0.20 115.11 122.58 2npf h GLN 543 Ca 0.10 -0.02 -0.02 0.00 -0.15 0.00 0.00 58.65 58.56 2npf h GLN 543 Cb 0.21 -0.08 0.00 0.00 1.07 0.00 0.00 27.48 28.68 2npf h GLN 543 CO -0.01 0.24 -0.20 -0.44 -2.65 0.00 0.00 178.83 175.78 2npf h ASP 544 N 0.38 -0.46 -0.36 -0.69 5.19 0.61 -2.09 116.42 118.99 2npf h ASP 544 Ca 0.12 -0.06 0.08 0.00 -0.62 0.00 0.00 57.03 56.55 2npf h ASP 544 Cb -0.02 0.12 -0.09 0.00 0.18 0.00 0.00 39.33 39.53 2npf h ASP 544 CO -0.05 -0.23 -0.31 0.25 -3.12 0.00 0.00 179.24 175.79 2npf h LEU 545 N -0.68 -1.01 -0.30 1.55 5.85 -0.65 0.91 115.31 120.99 2npf h LEU 545 Ca -0.06 0.18 0.02 0.00 0.84 0.00 0.00 57.88 58.86 2npf h LEU 545 Cb 0.49 0.47 -0.02 0.00 0.37 0.00 0.00 40.66 41.97 2npf h LEU 545 CO 0.09 -0.31 0.17 -0.08 -0.34 0.00 0.00 178.44 177.96 2npf h GLU 546 N -0.26 0.34 0.00 1.25 4.81 -0.56 0.34 114.58 120.50 2npf h GLU 546 Ca 0.16 -0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.33 2npf h GLU 546 Cb 0.52 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.82 2npf h GLU 546 CO -0.50 0.22 -1.37 0.72 -0.73 0.00 0.00 179.01 177.35 2npf n HIS 547 N -4.93 0.71 0.00 0.92 8.25 -0.79 -0.88 115.22 118.49 2npf n HIS 547 Ca -0.01 0.21 0.00 0.00 -0.26 0.00 0.00 57.72 57.67 2npf n HIS 547 Cb 0.06 -0.88 0.00 0.00 1.12 0.00 0.00 29.99 30.29 2npf n HIS 547 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 2npf n ASP 548 N -2.62 0.00 -0.33 0.41 9.92 0.31 -4.30 116.55 119.95 2npf n ASP 548 Ca -0.04 0.00 0.17 0.00 -0.53 0.00 0.00 54.79 54.39 2npf n ASP 548 Cb 0.63 0.00 0.34 0.00 -0.64 0.00 0.00 41.12 41.45 2npf n ASP 548 CO 0.00 0.00 0.00 0.45 0.13 0.00 0.00 177.20 177.78 2npf h HIS 549 N 0.00 0.16 0.00 1.24 3.86 -1.51 -2.94 115.15 115.95 2npf h HIS 549 Ca 0.00 0.06 -0.25 0.00 -1.16 0.00 0.00 60.37 59.02 2npf h HIS 549 Cb 0.00 0.09 -0.04 0.00 1.06 0.00 0.00 27.41 28.52 2npf h HIS 549 CO 0.00 -0.40 -1.94 0.00 0.86 0.00 0.00 177.93 176.44 2npf n ALA 550 N -2.92 1.66 -3.54 2.45 0.00 0.11 -3.48 120.51 114.79 2npf n ALA 550 Ca 0.25 -0.70 -0.20 0.00 0.00 0.00 0.00 53.44 52.79 2npf n ALA 550 Cb 0.83 0.13 0.06 0.00 0.00 0.00 0.00 19.45 20.47 2npf n ALA 550 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2npf n GLY 551 N 2.64 -0.46 3.28 0.00 0.00 -0.57 -4.72 105.19 105.35 2npf n GLY 551 Ca -0.30 0.19 -0.14 0.00 0.00 0.00 0.00 46.02 45.78 2npf n GLY 551 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2npf s VAL 552 N -3.51 0.05 0.07 1.61 1.01 -0.06 -4.96 120.40 114.62 2npf s VAL 552 Ca 0.08 -0.45 -0.32 0.00 0.00 0.00 0.00 61.98 61.30 2npf s VAL 552 Cb -0.02 -0.74 -0.11 0.00 0.00 0.00 0.00 36.38 35.52 2npf s VAL 552 CO 0.78 -0.24 1.85 -2.65 0.00 0.00 0.00 175.10 174.83 2npf n PRO 553 N 1.06 2.64 -4.17 2.72 -0.02 -1.26 -4.76 135.00 131.21 2npf n PRO 553 Ca -0.21 0.96 -0.24 0.00 -2.02 0.00 0.00 63.50 62.00 2npf n PRO 553 Cb 0.57 -2.85 -0.07 0.00 -0.02 0.00 0.00 33.50 31.13 2npf n PRO 553 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2npf s LEU 554 N 3.12 3.16 -0.31 2.45 1.43 -1.26 -1.94 118.68 125.33 2npf s LEU 554 Ca 0.85 -0.88 -0.00 0.00 -1.03 0.00 0.00 54.13 53.07 2npf s LEU 554 Cb -0.53 -1.58 0.10 0.00 0.03 0.00 0.00 46.19 44.21 2npf s LEU 554 CO 0.41 -0.31 0.09 -0.75 0.23 0.00 0.00 176.35 176.02 2npf s LYS 555 N -3.81 0.82 0.25 1.70 2.20 0.20 -4.77 119.74 116.32 2npf s LYS 555 Ca 0.37 -1.15 -0.17 0.00 -0.36 0.00 0.00 55.97 54.66 2npf s LYS 555 Cb -0.01 -2.15 -0.08 0.00 -1.51 0.00 0.00 37.83 34.08 2npf s LYS 555 CO 0.22 -0.96 0.70 0.42 -0.36 0.00 0.00 175.35 175.36 2npf s ILE 556 N 1.53 4.66 0.09 5.43 1.09 -1.26 -2.19 121.20 130.56 2npf s ILE 556 Ca 0.09 1.07 -0.26 0.00 -1.10 0.00 0.00 60.65 60.45 2npf s ILE 556 Cb -0.17 -3.75 0.08 0.00 -1.06 0.00 0.00 42.46 37.56 2npf s ILE 556 CO -0.22 0.07 0.92 -0.94 -0.10 0.00 0.00 174.94 174.66 2npf s SER 557 N -1.90 -0.26 0.04 3.58 1.04 -0.71 -4.97 113.70 110.53 2npf s SER 557 Ca 0.46 -0.23 -0.31 0.00 0.48 0.00 0.00 55.95 56.35 2npf s SER 557 Cb -0.14 0.45 -0.07 0.00 0.10 0.00 0.00 66.02 66.37 2npf s SER 557 CO 0.20 -0.80 1.43 -2.84 0.98 0.00 0.00 173.24 172.20 2npf s PRO 558 N -3.24 4.29 0.27 4.02 0.02 -1.26 0.54 135.00 139.63 2npf s PRO 558 Ca 0.09 2.04 -0.30 0.00 0.02 0.00 0.00 61.00 62.85 2npf s PRO 558 Cb -0.01 -3.48 -0.11 0.00 0.02 0.00 0.00 34.50 30.92 2npf s PRO 558 CO -0.03 -0.55 1.63 -1.25 -0.33 0.00 0.00 177.00 176.47 2npf s PRO 559 N 2.02 4.12 0.32 5.54 0.04 -1.26 -4.73 135.00 141.05 2npf s PRO 559 Ca 0.65 2.58 -0.29 0.00 0.04 0.00 0.00 61.00 63.98 2npf s PRO 559 Cb -0.34 -3.04 -0.11 0.00 0.04 0.00 0.00 34.50 31.05 2npf s PRO 559 CO 0.28 -0.66 1.55 0.08 0.04 0.00 0.00 177.00 178.29 2npf s VAL 560 N 0.31 2.08 0.15 -0.36 1.01 -1.26 -5.01 120.40 117.32 2npf s VAL 560 Ca 0.66 0.07 -0.03 0.00 0.00 0.00 0.00 61.98 62.68 2npf s VAL 560 Cb -0.48 -3.04 -0.05 0.00 0.00 0.00 0.00 36.38 32.80 2npf s VAL 560 CO 0.44 0.01 0.36 -0.69 0.00 0.00 0.00 175.10 175.22 2npf s VAL 561 N -0.41 5.20 0.12 2.92 1.01 -1.26 -4.77 120.40 123.20 2npf s VAL 561 Ca 0.59 -0.11 0.03 0.00 0.00 0.00 0.00 61.98 62.50 2npf s VAL 561 Cb -0.47 -3.65 -0.04 0.00 0.00 0.00 0.00 36.38 32.22 2npf s VAL 561 CO 0.53 -0.01 0.18 0.00 0.00 0.00 0.00 175.10 175.81 2npf s ALA 562 N -1.70 3.78 0.26 5.51 0.00 -1.26 -4.98 121.76 123.37 2npf s ALA 562 Ca 0.40 -1.05 0.02 0.00 0.00 0.00 0.00 51.96 51.33 2npf s ALA 562 Cb -0.12 -1.59 -0.05 0.00 0.00 0.00 0.00 23.12 21.35 2npf s ALA 562 CO 0.26 0.63 0.08 0.71 0.00 0.00 0.00 175.76 177.44 2npf s TYR 563 N -1.63 1.58 0.04 0.00 2.02 -1.26 -4.18 117.35 113.92 2npf s TYR 563 Ca 0.32 -1.14 0.07 0.00 -0.37 0.00 0.00 57.07 55.95 2npf s TYR 563 Cb -0.11 -0.94 -0.02 0.00 -0.40 0.00 0.00 41.96 40.49 2npf s TYR 563 CO 0.26 -0.28 -0.20 1.03 -1.57 0.00 0.00 175.55 174.79 2npf s ARG 564 N -4.01 1.33 -0.27 -0.62 1.81 -0.61 -4.17 118.95 112.42 2npf s ARG 564 Ca 0.37 -0.89 -0.13 0.00 -1.72 0.00 0.00 55.73 53.36 2npf s ARG 564 Cb 0.08 -1.42 -0.04 0.00 -0.45 0.00 0.00 34.95 33.12 2npf s ARG 564 CO 0.13 0.36 0.26 -1.21 -0.68 0.00 0.00 175.30 174.17 2npf s GLU 565 N -1.12 4.00 0.20 3.54 2.02 -0.23 0.24 118.70 127.34 2npf s GLU 565 Ca 0.07 -0.16 0.00 0.00 0.02 0.00 0.00 54.97 54.90 2npf s GLU 565 Cb -0.09 -3.63 -0.04 0.00 0.10 0.00 0.00 34.13 30.47 2npf s GLU 565 CO 0.02 -0.17 0.08 -0.08 0.02 0.00 0.00 175.26 175.12 2npf s THR 566 N 1.74 0.30 -0.08 3.63 -1.32 0.08 -1.38 115.64 118.61 2npf s THR 566 Ca 0.10 -1.98 0.01 0.00 -1.21 0.00 0.00 61.69 58.61 2npf s THR 566 Cb -0.16 -2.37 -0.03 0.00 -1.51 0.00 0.00 72.50 68.44 2npf s THR 566 CO 0.10 -0.19 -0.08 0.68 -2.21 0.00 0.00 174.62 172.91 2npf s VAL 567 N -3.93 3.56 -0.14 5.08 -7.23 -1.26 -0.04 120.40 116.43 2npf s VAL 567 Ca 0.33 -0.52 0.16 0.00 -1.81 0.00 0.00 61.98 60.13 2npf s VAL 567 Cb 0.07 -2.46 -0.02 0.00 0.56 0.00 0.00 36.38 34.53 2npf s VAL 567 CO 0.09 0.58 1.20 -0.08 -0.31 0.00 0.00 175.10 176.57 2npf h GLU 568 N 5.61 0.00 0.00 4.82 4.57 -1.02 -3.37 114.58 125.19 2npf h GLU 568 Ca -0.43 0.00 -0.05 0.00 -1.18 0.00 0.00 59.36 57.69 2npf h GLU 568 Cb 1.18 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.76 2npf h GLU 568 CO 0.54 0.42 0.02 -1.13 -1.18 0.00 0.00 179.01 177.68 2npf n SER 569 N -3.09 -0.57 -4.82 1.04 3.41 -1.01 -4.81 113.62 103.78 2npf n SER 569 Ca -0.02 -1.55 -0.33 0.00 -0.26 0.00 0.00 58.87 56.71 2npf n SER 569 Cb 0.78 0.99 -0.02 0.00 -0.26 0.00 0.00 64.21 65.70 2npf n SER 569 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 2npf s GLU 570 N -2.15 3.66 -0.00 4.33 2.12 -1.26 -4.29 118.70 121.12 2npf s GLU 570 Ca 0.07 1.11 -0.34 0.00 0.36 0.00 0.00 54.97 56.16 2npf s GLU 570 Cb -0.01 -2.09 -0.13 0.00 0.26 0.00 0.00 34.13 32.17 2npf s GLU 570 CO 0.05 -0.52 1.75 0.43 -0.54 0.00 0.00 175.26 176.44 2npf n SER 571 N -1.70 3.22 0.33 -1.70 7.64 0.03 -4.58 113.62 116.86 2npf n SER 571 Ca 0.08 1.02 0.19 0.00 1.01 0.00 0.00 58.87 61.17 2npf n SER 571 Cb 0.53 -1.38 1.03 0.00 -1.01 0.00 0.00 64.21 63.39 2npf n SER 571 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 2npf h SER 572 N 7.83 0.00 -4.83 6.43 4.64 -1.20 -3.43 113.55 122.99 2npf h SER 572 Ca -0.47 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.84 2npf h SER 572 Cb 1.27 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 63.18 2npf h SER 572 CO 0.92 0.00 0.28 0.00 -0.87 0.00 0.00 176.83 177.16 2npf s GLN 573 N -4.18 1.02 0.22 4.77 -2.07 -1.26 -5.13 119.66 113.03 2npf s GLN 573 Ca -0.04 0.01 -0.32 0.00 -1.82 0.00 0.00 55.36 53.19 2npf s GLN 573 Cb 0.12 0.48 -0.13 0.00 -1.09 0.00 0.00 33.01 32.38 2npf s GLN 573 CO 0.37 -0.37 1.52 2.41 -1.32 0.00 0.00 175.29 177.90 2npf n THR 574 N 0.46 0.62 -3.24 3.63 -1.04 -1.26 -4.94 114.28 108.50 2npf n THR 574 Ca -0.16 -0.15 -0.39 0.00 -2.04 0.00 0.00 64.05 61.30 2npf n THR 574 Cb 0.60 -1.62 -0.07 0.00 -1.82 0.00 0.00 70.33 67.42 2npf n THR 574 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2npf s ALA 575 N 0.32 3.54 0.03 2.41 0.00 0.04 -4.94 121.76 123.16 2npf s ALA 575 Ca 0.71 -0.38 0.09 0.00 0.00 0.00 0.00 51.96 52.38 2npf s ALA 575 Cb -0.62 -2.81 -0.03 0.00 0.00 0.00 0.00 23.12 19.67 2npf s ALA 575 CO 0.45 -0.41 -0.26 -1.17 0.00 0.00 0.00 175.76 174.37 2npf s LEU 576 N 1.56 2.14 -0.14 0.00 2.96 -1.26 -1.72 118.68 122.23 2npf s LEU 576 Ca 0.24 -0.55 -0.10 0.00 -0.22 0.00 0.00 54.13 53.50 2npf s LEU 576 Cb -0.15 -1.27 0.04 0.00 0.50 0.00 0.00 46.19 45.31 2npf s LEU 576 CO 0.10 0.27 0.34 -0.44 -1.32 0.00 0.00 176.35 175.30 2npf s SER 577 N -1.08 -0.38 0.20 3.68 0.01 -0.90 -0.71 113.70 114.50 2npf s SER 577 Ca 0.11 0.71 0.02 0.00 1.31 0.00 0.00 55.95 58.10 2npf s SER 577 Cb -0.10 0.66 -0.04 0.00 0.21 0.00 0.00 66.02 66.76 2npf s SER 577 CO 0.01 -0.15 0.35 -1.59 0.41 0.00 0.00 173.24 172.27 2npf s LYS 578 N 0.76 3.47 0.90 12.44 -2.85 -1.26 -1.25 119.74 131.94 2npf s LYS 578 Ca -0.05 -0.54 -0.13 0.00 -1.00 0.00 0.00 55.97 54.25 2npf s LYS 578 Cb -0.06 -2.89 0.20 0.00 -2.06 0.00 0.00 37.83 33.02 2npf s LYS 578 CO -0.05 0.44 1.23 -1.13 0.10 0.00 0.00 175.35 175.94 2npf n SER 579 N -0.85 0.34 -0.83 0.03 3.41 -0.16 -4.76 113.62 110.80 2npf n SER 579 Ca -0.07 -1.59 0.00 0.00 -0.26 0.00 0.00 58.87 56.95 2npf n SER 579 Cb 0.55 -0.92 0.00 0.00 -0.26 0.00 0.00 64.21 63.58 2npf n SER 579 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 2npf n PRO 580 N -3.55 0.70 0.00 4.33 -0.02 -1.26 -1.69 135.00 133.50 2npf n PRO 580 Ca 0.16 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.64 2npf n PRO 580 Cb 0.56 -1.22 0.00 0.00 -0.02 0.00 0.00 33.50 32.83 2npf n PRO 580 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2npf n ASN 581 N 0.48 0.93 0.00 2.55 3.02 -1.26 -4.98 115.26 116.00 2npf n ASN 581 Ca 0.00 -0.02 0.00 0.00 -0.03 0.00 0.00 54.58 54.53 2npf n ASN 581 Cb 0.29 0.22 0.00 0.00 -0.61 0.00 0.00 39.78 39.68 2npf n ASN 581 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2npf n LYS 582 N -0.32 -0.97 -0.07 3.52 5.02 -0.68 -4.81 118.16 119.86 2npf n LYS 582 Ca 0.00 0.24 -0.09 0.00 -2.02 0.00 0.00 58.31 56.44 2npf n LYS 582 Cb 0.00 -4.22 -0.08 0.00 -0.02 0.00 0.00 35.03 30.72 2npf n LYS 582 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2npf h HIS 583 N 0.00 0.00 -2.92 2.13 3.86 -1.94 -3.47 115.15 112.81 2npf h HIS 583 Ca 0.00 0.00 -0.62 0.00 -1.16 0.00 0.00 60.37 58.59 2npf h HIS 583 Cb 0.48 0.00 -0.05 0.00 1.06 0.00 0.00 27.41 28.90 2npf h HIS 583 CO 0.31 0.64 -0.32 -0.80 0.86 0.00 0.00 177.93 178.61 2npf s ASN 584 N -6.03 6.61 0.00 2.45 0.01 -1.26 -4.73 114.94 111.99 2npf s ASN 584 Ca -0.13 0.72 0.00 0.00 -0.71 0.00 0.00 52.86 52.74 2npf s ASN 584 Cb -0.01 -2.16 -0.00 0.00 0.41 0.00 0.00 41.25 39.49 2npf s ASN 584 CO 0.41 0.30 -0.01 -0.13 -1.51 0.00 0.00 177.10 176.15 2npf s ARG 585 N -1.40 0.08 -0.12 -0.60 0.52 -0.94 -0.99 118.95 115.51 2npf s ARG 585 Ca 0.25 -0.12 0.00 0.00 -0.52 0.00 0.00 55.73 55.34 2npf s ARG 585 Cb -0.14 -0.01 -0.02 0.00 0.52 0.00 0.00 34.95 35.30 2npf s ARG 585 CO 0.13 -0.00 -0.13 0.42 0.02 0.00 0.00 175.30 175.74 2npf s ILE 586 N -0.26 3.11 -0.36 1.52 -1.09 -0.38 -1.95 121.20 121.79 2npf s ILE 586 Ca -0.03 -0.65 0.04 0.00 -2.23 0.00 0.00 60.65 57.78 2npf s ILE 586 Cb -0.02 -2.30 0.10 0.00 -1.58 0.00 0.00 42.46 38.67 2npf s ILE 586 CO -0.00 0.53 0.08 -0.31 -1.23 0.00 0.00 174.94 174.01 2npf s TYR 587 N 0.19 3.49 0.44 3.97 2.02 -0.06 -2.13 117.35 125.26 2npf s TYR 587 Ca -0.07 -2.90 0.03 0.00 -0.37 0.00 0.00 57.07 53.76 2npf s TYR 587 Cb -0.15 -2.79 -0.02 0.00 -0.40 0.00 0.00 41.96 38.60 2npf s TYR 587 CO 0.05 -0.92 0.11 -0.48 -1.57 0.00 0.00 175.55 172.74 2npf s LEU 588 N 0.82 2.05 0.36 -1.29 0.05 -0.70 -1.23 118.68 118.74 2npf s LEU 588 Ca 0.12 -1.70 -0.03 0.00 0.05 0.00 0.00 54.13 52.56 2npf s LEU 588 Cb -0.20 -0.22 0.01 0.00 -2.05 0.00 0.00 46.19 43.74 2npf s LEU 588 CO -0.09 -0.95 0.52 -0.54 -0.55 0.00 0.00 176.35 174.75 2npf s LYS 589 N -3.72 1.99 0.04 1.48 1.02 -0.94 -0.78 119.74 118.83 2npf s LYS 589 Ca 0.19 -1.76 -0.10 0.00 0.02 0.00 0.00 55.97 54.32 2npf s LYS 589 Cb 0.02 0.47 0.01 0.00 -0.52 0.00 0.00 37.83 37.80 2npf s LYS 589 CO 0.12 -0.84 0.20 0.00 -0.92 0.00 0.00 175.35 173.92 2npf s ALA 590 N -2.89 -0.39 0.12 5.17 0.00 -1.26 -1.92 121.76 120.59 2npf s ALA 590 Ca 0.29 -0.25 -0.18 0.00 0.00 0.00 0.00 51.96 51.82 2npf s ALA 590 Cb -0.01 0.28 0.04 0.00 0.00 0.00 0.00 23.12 23.43 2npf s ALA 590 CO 0.20 -0.36 0.45 -1.83 0.00 0.00 0.00 175.76 174.21 2npf s GLU 591 N -2.55 1.09 -0.09 0.00 -1.05 -0.43 -0.79 118.70 114.89 2npf s GLU 591 Ca -0.05 -0.60 -0.30 0.00 -0.15 0.00 0.00 54.97 53.87 2npf s GLU 591 Cb -0.01 0.49 -0.02 0.00 -0.44 0.00 0.00 34.13 34.14 2npf s GLU 591 CO -0.04 -0.43 1.16 -1.25 0.95 0.00 0.00 175.26 175.65 2npf s PRO 592 N -3.60 4.35 0.06 -4.83 0.04 -1.26 -1.45 135.00 128.31 2npf s PRO 592 Ca 0.01 1.60 -0.30 0.00 0.04 0.00 0.00 61.00 62.36 2npf s PRO 592 Cb 0.01 -3.58 -0.05 0.00 0.04 0.00 0.00 34.50 30.92 2npf s PRO 592 CO -0.11 -0.46 1.02 0.42 0.04 0.00 0.00 177.00 177.91 2npf s ILE 593 N 2.38 4.55 0.66 0.56 1.01 0.62 -4.90 121.20 126.07 2npf s ILE 593 Ca 0.54 1.94 -0.17 0.00 0.00 0.00 0.00 60.65 62.95 2npf s ILE 593 Cb -0.23 -4.24 -0.04 0.00 0.01 0.00 0.00 42.46 37.96 2npf s ILE 593 CO 0.20 0.21 0.70 0.47 0.00 0.00 0.00 174.94 176.52 2npf n ASP 594 N 3.43 -0.43 -0.13 3.58 8.00 -1.26 -4.72 116.55 125.02 2npf n ASP 594 Ca 0.05 0.68 -0.08 0.00 0.71 0.00 0.00 54.79 56.15 2npf n ASP 594 Cb 0.49 -1.28 0.00 0.00 -0.02 0.00 0.00 41.12 40.31 2npf n ASP 594 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 2npf h GLU 595 N -0.04 0.53 -0.78 -1.24 4.39 -1.99 -1.38 114.58 114.08 2npf h GLU 595 Ca -0.47 -0.04 0.17 0.00 0.34 0.00 0.00 59.36 59.36 2npf h GLU 595 Cb 1.36 -0.12 -0.11 0.00 -0.10 0.00 0.00 28.75 29.79 2npf h GLU 595 CO 0.46 0.37 0.27 0.93 -1.16 0.00 0.00 179.01 179.88 2npf h GLU 596 N 0.54 0.36 -0.25 2.33 5.08 -2.00 -0.95 114.58 119.69 2npf h GLU 596 Ca 0.15 -0.02 -0.18 0.00 -1.00 0.00 0.00 59.36 58.30 2npf h GLU 596 Cb -0.05 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.12 2npf h GLU 596 CO -0.03 0.24 -0.56 0.28 -1.00 0.00 0.00 179.01 177.94 2npf h VAL 597 N 0.37 1.29 -0.85 3.13 2.07 -1.74 -1.87 116.25 118.64 2npf h VAL 597 Ca 0.45 -1.77 0.05 0.00 0.82 0.00 0.00 66.70 66.25 2npf h VAL 597 Cb 0.75 1.69 -0.06 0.00 -1.52 0.00 0.00 31.29 32.16 2npf h VAL 597 CO -0.47 0.57 0.54 0.28 0.02 0.00 0.00 177.57 178.50 2npf h SER 598 N 0.59 0.87 -0.01 0.57 0.02 -0.14 -0.19 113.55 115.26 2npf h SER 598 Ca 0.01 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.96 2npf h SER 598 Cb 1.15 -0.18 -0.00 0.00 0.14 0.00 0.00 62.40 63.51 2npf h SER 598 CO 0.12 0.58 0.00 -0.07 -1.14 0.00 0.00 176.83 176.33 2npf h LEU 599 N 1.02 0.01 -0.82 5.07 4.07 -1.08 -1.32 115.31 122.26 2npf h LEU 599 Ca 0.35 -0.08 0.13 0.00 0.08 0.00 0.00 57.88 58.36 2npf h LEU 599 Cb 0.08 -0.00 -0.09 0.00 1.08 0.00 0.00 40.66 41.73 2npf h LEU 599 CO -0.14 0.09 0.43 0.00 -1.08 0.00 0.00 178.44 177.74 2npf h ALA 600 N 0.92 1.21 -0.25 1.53 0.00 -0.61 0.55 119.26 122.61 2npf h ALA 600 Ca 0.00 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 2npf h ALA 600 Cb 0.08 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2npf h ALA 600 CO -0.00 -0.05 0.02 0.82 0.00 0.00 0.00 179.25 180.04 2npf h ILE 601 N 0.65 1.24 -0.14 0.00 1.08 -0.81 -0.90 117.51 118.64 2npf h ILE 601 Ca 0.43 -0.84 -0.02 0.00 -0.39 0.00 0.00 64.86 64.04 2npf h ILE 601 Cb 0.55 1.31 -0.00 0.00 -3.07 0.00 0.00 36.82 35.60 2npf h ILE 601 CO -0.33 0.27 -0.00 -0.33 -0.69 0.00 0.00 178.15 177.07 2npf h GLU 602 N 0.22 0.25 0.00 2.37 5.08 -0.38 -2.84 114.58 119.27 2npf h GLU 602 Ca 0.07 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2npf h GLU 602 Cb 0.37 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.60 2npf h GLU 602 CO 0.01 0.48 0.00 0.09 -1.00 0.00 0.00 179.01 178.59 2npf n ASN 603 N -4.77 0.00 0.00 1.42 3.02 0.18 -4.88 115.26 110.24 2npf n ASN 603 Ca -0.05 -0.74 0.00 0.00 -0.03 0.00 0.00 54.58 53.75 2npf n ASN 603 Cb 0.21 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.38 2npf n ASN 603 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2npf n GLY 604 N 0.26 0.71 0.10 7.41 0.00 -0.96 -4.91 105.19 107.79 2npf n GLY 604 Ca 0.13 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.03 2npf n GLY 604 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2npf h ILE 605 N 0.00 1.24 -3.08 -0.61 2.04 -1.44 -3.33 117.51 112.32 2npf h ILE 605 Ca 0.00 -0.78 -0.67 0.00 1.00 0.00 0.00 64.86 64.41 2npf h ILE 605 Cb 0.04 1.51 -0.17 0.00 -0.74 0.00 0.00 36.82 37.46 2npf h ILE 605 CO 0.00 0.23 0.20 -0.63 0.00 0.00 0.00 178.15 177.95 2npf s ILE 606 N -5.03 4.72 -0.10 -0.67 1.01 -0.93 -4.98 121.20 115.22 2npf s ILE 606 Ca -0.14 -0.49 0.03 0.00 0.00 0.00 0.00 60.65 60.05 2npf s ILE 606 Cb 0.05 -4.43 -0.01 0.00 0.01 0.00 0.00 42.46 38.09 2npf s ILE 606 CO 0.71 -1.01 -0.21 0.21 0.00 0.00 0.00 174.94 174.63 2npf s ASN 607 N 3.07 3.34 0.51 3.58 3.84 -1.25 -4.36 114.94 123.67 2npf s ASN 607 Ca 0.17 -0.48 0.25 0.00 0.21 0.00 0.00 52.86 53.01 2npf s ASN 607 Cb -0.19 -1.33 1.38 0.00 -0.55 0.00 0.00 41.25 40.56 2npf s ASN 607 CO 0.11 0.19 2.06 -0.65 -2.79 0.00 0.00 177.10 176.02 2npf h PRO 608 N 6.53 0.00 0.00 0.43 0.11 -1.93 -2.77 132.00 134.37 2npf h PRO 608 Ca -0.24 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.87 2npf h PRO 608 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 2npf h PRO 608 CO 0.49 0.13 -0.48 0.00 -0.21 0.00 0.00 178.00 177.92 2npf h ARG 609 N 0.00 0.00 -7.28 1.05 3.08 -1.94 -3.47 114.38 105.81 2npf h ARG 609 Ca -0.00 0.00 -0.48 0.00 0.07 0.00 0.00 59.98 59.57 2npf h ARG 609 Cb 0.32 0.00 0.17 0.00 0.08 0.00 0.00 29.97 30.54 2npf h ARG 609 CO 0.02 0.00 0.19 -0.51 -1.07 0.00 0.00 179.97 178.60 2npf s ASP 610 N -5.75 2.83 0.52 7.04 1.11 -1.05 -4.98 116.67 116.39 2npf s ASP 610 Ca 0.03 1.61 -0.20 0.00 0.18 0.00 0.00 52.55 54.17 2npf s ASP 610 Cb 0.07 -2.26 -0.07 0.00 1.07 0.00 0.00 42.92 41.74 2npf s ASP 610 CO 0.73 -3.06 1.12 -1.81 1.18 0.00 0.00 175.17 173.33 2npf s ASP 611 N -3.10 5.92 0.17 0.27 1.01 -1.26 -4.80 116.67 114.87 2npf s ASP 611 Ca 0.65 2.16 -0.18 0.00 0.71 0.00 0.00 52.55 55.89 2npf s ASP 611 Cb -0.20 -2.58 0.09 0.00 1.01 0.00 0.00 42.92 41.24 2npf s ASP 611 CO 0.59 -1.08 1.66 0.15 0.21 0.00 0.00 175.17 176.69 2npf h PHE 612 N 1.44 -0.30 -0.94 4.23 3.57 -1.95 0.84 116.94 123.83 2npf h PHE 612 Ca -0.50 0.04 0.22 0.00 3.53 0.00 0.00 57.97 61.26 2npf h PHE 612 Cb 1.25 0.19 -0.07 0.00 2.79 0.00 0.00 35.95 40.11 2npf h PHE 612 CO 0.53 -0.21 0.62 1.57 -2.23 0.00 0.00 178.31 178.59 2npf h LYS 613 N -0.05 0.39 0.34 1.11 2.10 -1.97 0.83 116.57 119.33 2npf h LYS 613 Ca 0.19 -0.02 -0.02 0.00 -2.00 0.00 0.00 60.65 58.80 2npf h LYS 613 Cb 0.34 -0.09 0.00 0.00 -0.90 0.00 0.00 32.23 31.58 2npf h LYS 613 CO -0.42 0.26 -0.17 0.00 -2.00 0.00 0.00 179.45 177.12 2npf h ALA 614 N 1.61 -0.71 -0.80 0.07 0.00 -1.23 -2.31 119.26 115.89 2npf h ALA 614 Ca 0.50 -0.10 0.13 0.00 0.00 0.00 0.00 54.91 55.44 2npf h ALA 614 Cb 1.25 0.18 -0.09 0.00 0.00 0.00 0.00 17.79 19.14 2npf h ALA 614 CO -0.20 -0.68 0.40 -0.09 0.00 0.00 0.00 179.25 178.67 2npf h ARG 615 N -0.70 0.58 -0.54 0.00 2.43 -0.80 -1.20 114.38 114.16 2npf h ARG 615 Ca -0.05 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.09 2npf h ARG 615 Cb 0.35 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.75 2npf h ARG 615 CO 0.08 0.39 0.34 0.00 -1.51 0.00 0.00 179.97 179.26 2npf h ALA 616 N 1.51 1.58 -0.00 2.80 0.00 0.61 -1.53 119.26 124.24 2npf h ALA 616 Ca 0.42 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 55.18 2npf h ALA 616 Cb 0.55 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 18.13 2npf h ALA 616 CO -0.34 0.37 -0.38 0.00 0.00 0.00 0.00 179.25 178.91 2npf h ARG 617 N 0.73 0.26 -0.09 0.00 3.08 -0.68 -2.92 114.38 114.76 2npf h ARG 617 Ca 0.20 -0.28 0.04 0.00 0.07 0.00 0.00 59.98 60.01 2npf h ARG 617 Cb -0.05 0.08 -0.06 0.00 0.08 0.00 0.00 29.97 30.02 2npf h ARG 617 CO -0.04 0.99 -0.30 0.82 -1.07 0.00 0.00 179.97 180.37 2npf h ILE 618 N -0.35 0.32 -0.59 2.04 1.08 -1.02 0.21 117.51 119.20 2npf h ILE 618 Ca -0.05 0.00 -0.04 0.00 -0.39 0.00 0.00 64.86 64.38 2npf h ILE 618 Cb 1.12 0.32 -0.03 0.00 -3.07 0.00 0.00 36.82 35.17 2npf h ILE 618 CO 0.08 0.00 0.21 0.24 -0.69 0.00 0.00 178.15 177.99 2npf h MET 619 N -0.40 0.90 0.00 2.37 2.86 -1.41 -1.23 114.93 118.02 2npf h MET 619 Ca 0.09 -0.18 -0.01 0.00 -2.06 0.00 0.00 59.70 57.54 2npf h MET 619 Cb 0.53 -0.14 -0.00 0.00 0.06 0.00 0.00 31.60 32.05 2npf h MET 619 CO -0.32 0.79 -0.07 0.00 1.06 0.00 0.00 176.91 178.36 2npf h ALA 620 N 1.07 0.01 0.08 6.32 0.00 -1.35 0.21 119.26 125.60 2npf h ALA 620 Ca 0.19 -0.39 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 2npf h ALA 620 Cb 0.24 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2npf h ALA 620 CO -0.01 0.05 -0.04 -0.44 0.00 0.00 0.00 179.25 178.81 2npf h ASP 621 N -1.00 -0.09 0.07 0.00 3.32 -0.70 -2.97 116.42 115.05 2npf h ASP 621 Ca -0.02 -0.49 -0.00 0.00 0.02 0.00 0.00 57.03 56.54 2npf h ASP 621 Cb 0.72 0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.29 2npf h ASP 621 CO -0.01 0.58 -0.03 0.44 -1.72 0.00 0.00 179.24 178.49 2npf h ASP 622 N -0.90 -0.08 -0.18 6.45 5.19 -1.38 -3.35 116.42 122.17 2npf h ASP 622 Ca -0.01 -0.48 0.00 0.00 -0.62 0.00 0.00 57.03 55.92 2npf h ASP 622 Cb 0.58 0.02 0.00 0.00 0.18 0.00 0.00 39.33 40.11 2npf h ASP 622 CO 0.02 0.60 0.00 -1.22 -3.12 0.00 0.00 179.24 175.52 2npf n TYR 623 N -4.79 0.24 -1.97 4.55 4.01 -0.54 -4.96 117.16 113.71 2npf n TYR 623 Ca -0.07 -0.12 -0.20 0.00 -0.16 0.00 0.00 57.90 57.36 2npf n TYR 623 Cb 0.27 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.25 2npf n TYR 623 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2npf n GLY 624 N 1.02 0.75 3.81 2.72 0.00 -1.00 -4.93 105.19 107.57 2npf n GLY 624 Ca 0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 2npf n GLY 624 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2npf s TRP 625 N -2.82 3.08 0.12 1.61 0.52 0.70 -4.93 118.94 117.23 2npf s TRP 625 Ca 0.00 1.45 -0.33 0.00 0.02 0.00 0.00 56.10 57.24 2npf s TRP 625 Cb 0.00 -2.92 -0.13 0.00 -1.15 0.00 0.00 33.47 29.27 2npf s TRP 625 CO 0.00 -1.18 1.67 -3.47 0.02 0.00 0.00 176.95 173.99 2npf n ASP 626 N -2.76 3.35 0.00 2.95 -0.08 -1.26 -4.35 116.55 114.40 2npf n ASP 626 Ca 0.08 1.05 0.00 0.00 -1.51 0.00 0.00 54.79 54.41 2npf n ASP 626 Cb 0.53 -1.45 0.00 0.00 2.34 0.00 0.00 41.12 42.55 2npf n ASP 626 CO 0.00 0.00 0.00 0.55 0.12 0.00 0.00 177.20 177.87 2npf n VAL 627 N 3.90 1.44 1.00 5.18 3.14 -1.26 -1.09 118.33 130.63 2npf n VAL 627 Ca 0.18 0.39 0.10 0.00 -2.96 0.00 0.00 64.34 62.05 2npf n VAL 627 Cb 0.30 -1.39 -0.04 0.00 -1.06 0.00 0.00 33.84 31.66 2npf n VAL 627 CO 0.00 0.00 0.00 0.35 -6.46 0.00 0.00 176.83 170.72 2npf n THR 628 N -1.35 0.00 -0.03 1.55 -2.24 -1.26 -4.51 114.28 106.44 2npf n THR 628 Ca 0.00 -0.02 -0.15 0.00 -2.27 0.00 0.00 64.05 61.61 2npf n THR 628 Cb 0.03 0.87 -0.10 0.00 -2.10 0.00 0.00 70.33 69.03 2npf n THR 628 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 2npf h ASP 629 N 0.21 0.28 -0.89 3.42 3.32 -1.47 -3.32 116.42 117.97 2npf h ASP 629 Ca 0.00 -0.66 0.17 0.00 0.02 0.00 0.00 57.03 56.56 2npf h ASP 629 Cb 0.52 -0.08 -0.17 0.00 0.22 0.00 0.00 39.33 39.82 2npf h ASP 629 CO 0.00 0.89 -0.25 0.00 -1.72 0.00 0.00 179.24 178.16 2npf h ALA 630 N 0.39 0.51 0.00 3.45 0.00 -1.79 0.74 119.26 122.55 2npf h ALA 630 Ca -0.02 0.33 0.00 0.00 0.00 0.00 0.00 54.91 55.23 2npf h ALA 630 Cb 0.89 0.73 0.00 0.00 0.00 0.00 0.00 17.79 19.41 2npf h ALA 630 CO 0.05 -0.44 0.00 -0.09 0.00 0.00 0.00 179.25 178.77 2npf h ARG 631 N -0.01 0.00 0.00 0.00 2.43 -1.86 -2.77 114.38 112.17 2npf h ARG 631 Ca 0.41 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.58 2npf h ARG 631 Cb 0.64 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.19 2npf h ARG 631 CO -0.92 0.00 -0.83 1.63 -1.51 0.00 0.00 179.97 178.35 2npf n LYS 632 N -2.71 0.10 -2.23 0.20 5.02 0.25 -4.91 118.16 113.88 2npf n LYS 632 Ca 0.01 -0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.88 2npf n LYS 632 Cb 0.26 -1.53 -0.03 0.00 -0.02 0.00 0.00 35.03 33.71 2npf n LYS 632 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 2npf s ILE 633 N -3.07 3.38 -0.07 -0.18 -4.36 -0.53 -1.50 121.20 114.86 2npf s ILE 633 Ca 0.08 1.04 0.13 0.00 -0.26 0.00 0.00 60.65 61.63 2npf s ILE 633 Cb 0.16 -3.67 -0.23 0.00 1.25 0.00 0.00 42.46 39.97 2npf s ILE 633 CO 0.78 0.11 0.55 0.79 0.24 0.00 0.00 174.94 177.41 2npf n TRP 634 N 3.44 0.84 -3.63 1.37 7.02 0.22 -4.95 117.44 121.75 2npf n TRP 634 Ca 0.09 0.30 -0.01 0.00 -1.02 0.00 0.00 57.50 56.86 2npf n TRP 634 Cb 0.43 -1.15 -0.02 0.00 -2.42 0.00 0.00 31.31 28.15 2npf n TRP 634 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2npf s PHE 636 N -2.03 3.04 0.07 0.00 0.08 -1.24 -3.16 117.98 114.74 2npf s PHE 636 Ca 0.12 -0.04 -0.21 0.00 0.12 0.00 0.00 56.93 56.93 2npf s PHE 636 Cb 0.00 -1.49 0.05 0.00 -0.57 0.00 0.00 43.02 41.01 2npf s PHE 636 CO -0.03 0.51 0.49 0.20 -0.10 0.00 0.00 175.22 176.30 2npf s GLY 637 N -2.82 -0.40 0.65 4.36 0.00 -0.46 -3.52 107.32 105.12 2npf s GLY 637 Ca 0.29 0.45 -0.10 0.00 0.00 0.00 0.00 44.72 45.36 2npf s GLY 637 CO 0.21 0.16 0.88 -1.55 0.00 0.00 0.00 173.10 172.80 2npf n PRO 638 N 0.25 -0.74 -3.54 2.90 -0.04 -1.26 -2.42 135.00 130.14 2npf n PRO 638 Ca -0.18 -1.48 -0.26 0.00 -0.04 0.00 0.00 63.50 61.54 2npf n PRO 638 Cb 0.61 -0.87 0.01 0.00 -0.04 0.00 0.00 33.50 33.21 2npf n PRO 638 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2npf n ASP 639 N -3.49 -4.30 0.00 3.54 8.00 -1.26 -0.70 116.55 118.33 2npf n ASP 639 Ca 0.11 -0.54 0.00 0.00 0.71 0.00 0.00 54.79 55.08 2npf n ASP 639 Cb 0.40 -3.50 0.00 0.00 -0.02 0.00 0.00 41.12 38.00 2npf n ASP 639 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2npf n GLY 640 N -1.38 1.92 0.32 0.44 0.00 -1.23 -4.60 105.19 100.67 2npf n GLY 640 Ca -0.00 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.03 2npf n GLY 640 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2npf n ASN 641 N 0.22 0.38 -4.61 1.61 0.23 -1.02 -3.71 115.26 108.36 2npf n ASN 641 Ca 0.00 -1.92 -0.29 0.00 -0.53 0.00 0.00 54.58 51.85 2npf n ASN 641 Cb 0.00 -0.18 0.19 0.00 -2.08 0.00 0.00 39.78 37.71 2npf n ASN 641 CO 0.00 0.00 0.00 -0.83 -0.93 0.00 0.00 177.26 175.50 2npf s GLY 642 N -1.02 1.56 -1.51 4.83 0.00 0.12 -4.74 107.32 106.55 2npf s GLY 642 Ca 0.04 -0.42 -0.10 0.00 0.00 0.00 0.00 44.72 44.25 2npf s GLY 642 CO 0.00 0.23 2.98 -1.55 0.00 0.00 0.00 173.10 174.77 2npf n PRO 643 N -4.29 3.64 -3.73 2.90 -0.04 -1.17 -3.08 135.00 129.23 2npf n PRO 643 Ca 0.05 -2.19 -0.12 0.00 -0.04 0.00 0.00 63.50 61.21 2npf n PRO 643 Cb 0.57 -2.74 -0.11 0.00 -0.04 0.00 0.00 33.50 31.18 2npf n PRO 643 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 2npf s ASN 644 N 2.07 -0.40 0.32 3.54 0.01 -1.02 -0.44 114.94 119.04 2npf s ASN 644 Ca 0.69 0.73 0.09 0.00 -0.71 0.00 0.00 52.86 53.66 2npf s ASN 644 Cb 0.19 0.66 -0.05 0.00 0.41 0.00 0.00 41.25 42.46 2npf s ASN 644 CO -0.06 -0.16 -0.02 -0.76 -1.51 0.00 0.00 177.10 174.59 2npf s LEU 645 N 0.87 2.95 -0.27 0.60 1.43 -0.59 -1.36 118.68 122.31 2npf s LEU 645 Ca -0.06 -0.96 -0.02 0.00 -1.03 0.00 0.00 54.13 52.06 2npf s LEU 645 Cb -0.06 -1.35 0.09 0.00 0.03 0.00 0.00 46.19 44.89 2npf s LEU 645 CO -0.06 -0.17 0.09 -0.69 0.23 0.00 0.00 176.35 175.75 2npf s VAL 646 N -2.50 0.49 -0.29 -1.59 1.01 -1.19 -0.84 120.40 115.49 2npf s VAL 646 Ca 0.34 -0.95 -0.06 0.00 0.00 0.00 0.00 61.98 61.30 2npf s VAL 646 Cb -0.01 -1.27 0.01 0.00 0.00 0.00 0.00 36.38 35.11 2npf s VAL 646 CO 0.19 -0.54 0.06 -0.63 0.00 0.00 0.00 175.10 174.17 2npf s ILE 647 N 1.83 3.79 -0.53 2.22 1.09 0.27 0.71 121.20 130.56 2npf s ILE 647 Ca 0.06 -0.79 -0.27 0.00 -1.10 0.00 0.00 60.65 58.55 2npf s ILE 647 Cb -0.17 -2.97 -0.01 0.00 -1.06 0.00 0.00 42.46 38.24 2npf s ILE 647 CO -0.23 0.07 1.77 -0.62 -0.10 0.00 0.00 174.94 175.83 2npf s ASP 648 N 1.46 5.56 -0.42 3.58 3.68 -0.56 -1.77 116.67 128.20 2npf s ASP 648 Ca 0.02 0.56 0.04 0.00 2.13 0.00 0.00 52.55 55.30 2npf s ASP 648 Cb -0.17 -2.53 0.46 0.00 -1.45 0.00 0.00 42.92 39.22 2npf s ASP 648 CO 0.01 -2.11 1.47 0.00 0.13 0.00 0.00 175.17 174.68 2npf n GLN 649 N 8.91 3.31 -3.84 4.34 6.02 -0.48 -4.87 117.38 130.77 2npf n GLN 649 Ca 0.20 -3.88 -0.37 0.00 -0.01 0.00 0.00 57.00 52.94 2npf n GLN 649 Cb 0.50 -2.28 -0.06 0.00 1.02 0.00 0.00 30.24 29.42 2npf n GLN 649 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 2npf s THR 650 N -4.68 5.46 0.13 5.09 -4.23 -1.15 -4.56 115.64 111.70 2npf s THR 650 Ca 0.56 0.27 0.07 0.00 -1.18 0.00 0.00 61.69 61.40 2npf s THR 650 Cb 0.44 -3.43 -0.04 0.00 1.34 0.00 0.00 72.50 70.82 2npf s THR 650 CO 0.02 0.61 -0.16 -0.54 -0.54 0.00 0.00 174.62 174.02 2npf s LYS 651 N -1.02 1.07 -1.34 3.99 -0.14 -1.26 -4.81 119.74 116.22 2npf s LYS 651 Ca 0.16 -1.25 -0.06 0.00 -1.36 0.00 0.00 55.97 53.46 2npf s LYS 651 Cb -0.12 -1.03 0.03 0.00 -1.68 0.00 0.00 37.83 35.03 2npf s LYS 651 CO 0.05 0.21 0.40 0.00 -0.76 0.00 0.00 175.35 175.25 2npf n ALA 652 N 0.58 -0.96 -3.12 5.17 0.00 -1.26 -4.94 120.51 115.98 2npf n ALA 652 Ca -0.16 0.15 -0.38 0.00 0.00 0.00 0.00 53.44 53.05 2npf n ALA 652 Cb 0.56 -2.82 -0.12 0.00 0.00 0.00 0.00 19.45 17.07 2npf n ALA 652 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2npf s VAL 653 N -2.94 4.02 0.00 0.00 1.01 -1.26 -5.03 120.40 116.19 2npf s VAL 653 Ca 0.27 -0.92 0.00 0.00 0.00 0.00 0.00 61.98 61.33 2npf s VAL 653 Cb -0.14 -3.20 0.00 0.00 0.00 0.00 0.00 36.38 33.04 2npf s VAL 653 CO 0.34 -0.10 0.49 0.00 0.00 0.00 0.00 175.10 175.82 2npf n GLN 654 N 4.87 0.00 -0.32 2.72 6.02 -1.26 -3.47 117.38 125.93 2npf n GLN 654 Ca -0.13 0.18 -0.04 0.00 -0.01 0.00 0.00 57.00 57.00 2npf n GLN 654 Cb 0.46 -0.99 0.02 0.00 1.02 0.00 0.00 30.24 30.75 2npf n GLN 654 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 2npf n TYR 655 N -0.67 0.46 -0.09 1.08 4.01 -1.26 -4.53 117.16 116.17 2npf n TYR 655 Ca 0.00 -0.89 0.21 0.00 -0.16 0.00 0.00 57.90 57.06 2npf n TYR 655 Cb 0.00 -0.45 0.65 0.00 -0.31 0.00 0.00 39.34 39.24 2npf n TYR 655 CO 0.00 0.00 0.00 1.25 -0.46 0.00 0.00 176.86 177.65 2npf h LEU 656 N 1.59 0.10 -0.12 7.72 5.85 -1.99 -1.31 115.31 127.16 2npf h LEU 656 Ca 0.09 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.82 2npf h LEU 656 Cb 1.18 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.20 2npf h LEU 656 CO 0.19 0.05 -0.01 0.00 -0.34 0.00 0.00 178.44 178.33 2npf n HIS 657 N -4.38 0.00 0.13 1.25 1.44 -1.26 -3.71 115.22 108.68 2npf n HIS 657 Ca 0.13 0.00 -0.24 0.00 -2.01 0.00 0.00 57.72 55.60 2npf n HIS 657 Cb 0.67 -0.06 -0.16 0.00 0.12 0.00 0.00 29.99 30.57 2npf n HIS 657 CO 0.00 0.00 0.00 0.93 -2.81 0.00 0.00 176.34 174.46 2npf h GLU 658 N 0.30 0.50 -0.00 -1.40 4.39 -1.61 -3.33 114.58 113.43 2npf h GLU 658 Ca 0.00 -0.86 0.00 0.00 0.34 0.00 0.00 59.36 58.84 2npf h GLU 658 Cb 0.13 0.32 0.00 0.00 -0.10 0.00 0.00 28.75 29.10 2npf h GLU 658 CO 0.00 1.41 -0.12 0.44 -1.16 0.00 0.00 179.01 179.58 2npf n ILE 659 N -3.73 0.00 -0.40 3.13 -5.35 -1.24 -4.42 119.36 107.35 2npf n ILE 659 Ca -0.18 -0.04 -0.06 0.00 -0.27 0.00 0.00 62.75 62.19 2npf n ILE 659 Cb 1.08 -0.15 -0.04 0.00 -1.74 0.00 0.00 39.64 38.80 2npf n ILE 659 CO 0.00 0.00 0.00 1.17 -1.76 0.00 0.00 176.55 175.96 2npf n LYS 660 N -1.09 -0.34 -0.11 6.28 4.81 -1.25 -0.95 118.16 125.51 2npf n LYS 660 Ca 0.13 1.50 -0.05 0.00 -0.87 0.00 0.00 58.31 59.02 2npf n LYS 660 Cb 0.28 -2.21 0.02 0.00 0.02 0.00 0.00 35.03 33.14 2npf n LYS 660 CO 0.00 0.00 0.00 -0.44 1.17 0.00 0.00 177.40 178.13 2npf h ASP 661 N 0.00 -0.16 -0.27 3.14 5.19 -1.87 0.60 116.42 123.05 2npf h ASP 661 Ca 0.24 0.09 -0.06 0.00 -0.62 0.00 0.00 57.03 56.68 2npf h ASP 661 Cb 0.49 0.16 -0.02 0.00 0.18 0.00 0.00 39.33 40.14 2npf h ASP 661 CO -0.95 -0.04 -0.01 0.28 -3.12 0.00 0.00 179.24 175.40 2npf h SER 662 N 0.10 0.57 -0.28 6.45 0.02 -1.52 -1.35 113.55 117.53 2npf h SER 662 Ca 0.18 -0.12 -0.05 0.00 -0.84 0.00 0.00 61.79 60.97 2npf h SER 662 Cb 0.26 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.64 2npf h SER 662 CO -0.31 0.64 -0.00 0.58 -1.14 0.00 0.00 176.83 176.60 2npf h VAL 663 N 0.57 1.26 -0.21 2.27 2.07 -0.11 -1.04 116.25 121.05 2npf h VAL 663 Ca 0.12 -0.93 0.00 0.00 0.82 0.00 0.00 66.70 66.71 2npf h VAL 663 Cb 0.38 1.31 -0.01 0.00 -1.52 0.00 0.00 31.29 31.45 2npf h VAL 663 CO 0.01 0.30 0.13 0.58 0.02 0.00 0.00 177.57 178.61 2npf h VAL 664 N 0.29 1.07 -0.68 2.57 2.07 -0.65 -1.73 116.25 119.20 2npf h VAL 664 Ca 0.08 -0.17 0.02 0.00 0.82 0.00 0.00 66.70 67.45 2npf h VAL 664 Cb 0.43 0.81 -0.04 0.00 -1.52 0.00 0.00 31.29 30.97 2npf h VAL 664 CO 0.01 0.07 0.43 0.00 0.02 0.00 0.00 177.57 178.11 2npf h ALA 665 N 1.05 0.87 0.00 1.67 0.00 -1.17 -0.04 119.26 121.64 2npf h ALA 665 Ca 0.08 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 2npf h ALA 665 Cb 0.00 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.55 2npf h ALA 665 CO -0.01 0.23 -0.09 0.00 0.00 0.00 0.00 179.25 179.38 2npf h ALA 666 N 1.27 1.63 0.16 0.00 0.00 -0.88 -1.55 119.26 119.89 2npf h ALA 666 Ca 0.26 -0.08 -0.29 0.00 0.00 0.00 0.00 54.91 54.80 2npf h ALA 666 Cb -0.03 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 17.76 2npf h ALA 666 CO -0.08 0.11 -1.31 0.35 0.00 0.00 0.00 179.25 178.32 2npf h PHE 667 N 0.00 0.62 -0.00 0.00 3.57 -0.27 -2.03 116.94 118.83 2npf h PHE 667 Ca -0.00 -0.46 -0.03 0.00 3.53 0.00 0.00 57.97 61.02 2npf h PHE 667 Cb 0.18 -0.02 -0.00 0.00 2.79 0.00 0.00 35.95 38.89 2npf h PHE 667 CO 0.00 1.36 -0.13 1.96 -2.23 0.00 0.00 178.31 179.27 2npf h GLN 668 N 0.09 0.00 0.22 1.11 1.08 -0.12 -1.43 115.11 116.06 2npf h GLN 668 Ca -0.17 -0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.02 2npf h GLN 668 Cb 2.03 -0.00 0.00 0.00 -0.05 0.00 0.00 27.48 29.46 2npf h GLN 668 CO 0.22 0.13 -0.11 2.35 -0.95 0.00 0.00 178.83 180.48 2npf h TRP 669 N 0.00 -0.28 -0.05 2.96 2.91 -1.32 -3.06 115.95 117.11 2npf h TRP 669 Ca -0.00 -0.01 0.02 0.00 1.13 0.00 0.00 58.89 60.03 2npf h TRP 669 Cb 0.23 0.09 -0.00 0.00 -0.51 0.00 0.00 29.16 28.97 2npf h TRP 669 CO 0.00 -0.17 0.17 0.00 -1.03 0.00 0.00 178.44 177.40 2npf h ALA 670 N -1.12 1.35 0.00 2.65 0.00 -1.24 -1.81 119.26 119.09 2npf h ALA 670 Ca -0.03 -0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.69 2npf h ALA 670 Cb 0.23 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 2npf h ALA 670 CO 0.05 -0.19 -1.55 0.25 0.00 0.00 0.00 179.25 177.81 2npf n THR 671 N -3.25 1.18 -0.05 0.00 -2.24 -0.55 -3.66 114.28 105.72 2npf n THR 671 Ca -0.01 -0.70 -0.16 0.00 -2.27 0.00 0.00 64.05 60.91 2npf n THR 671 Cb 0.24 -0.70 -0.07 0.00 -2.10 0.00 0.00 70.33 67.70 2npf n THR 671 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 2npf h LYS 672 N 0.00 0.69 -3.36 -0.78 1.63 -1.23 0.43 116.57 113.95 2npf h LYS 672 Ca -0.20 -0.50 -0.60 0.00 -0.85 0.00 0.00 60.65 58.51 2npf h LYS 672 Cb 1.65 0.08 -0.40 0.00 -0.60 0.00 0.00 32.23 32.96 2npf h LYS 672 CO 0.04 1.12 -0.75 -1.21 -3.45 0.00 0.00 179.45 175.20 2npf s GLU 673 N -3.90 0.96 1.27 1.90 2.02 -0.97 -3.07 118.70 116.92 2npf s GLU 673 Ca -0.12 -1.48 -0.18 0.00 0.02 0.00 0.00 54.97 53.21 2npf s GLU 673 Cb 0.08 -2.16 0.32 0.00 0.10 0.00 0.00 34.13 32.46 2npf s GLU 673 CO 0.86 -1.06 1.00 0.20 0.02 0.00 0.00 175.26 176.28 2npf s GLY 674 N 1.08 1.49 0.09 -1.39 0.00 0.15 -4.65 107.32 104.08 2npf s GLY 674 Ca 0.13 -0.55 -0.13 0.00 0.00 0.00 0.00 44.72 44.17 2npf s GLY 674 CO -0.13 0.31 1.23 -0.56 0.00 0.00 0.00 173.10 173.95 2npf h PRO 675 N -2.93 0.72 -0.27 2.90 0.13 -1.87 -2.66 132.00 128.02 2npf h PRO 675 Ca -0.52 -0.71 0.03 0.00 -0.87 0.00 0.00 66.00 63.93 2npf h PRO 675 Cb 1.33 0.19 -0.05 0.00 0.13 0.00 0.00 31.00 32.60 2npf h PRO 675 CO 0.40 1.30 -0.33 0.82 -0.23 0.00 0.00 178.00 179.96 2npf h ILE 676 N 0.43 0.00 0.00 -3.56 1.08 -1.93 -3.40 117.51 110.13 2npf h ILE 676 Ca -0.10 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.37 2npf h ILE 676 Cb 1.61 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 35.36 2npf h ILE 676 CO 0.19 0.00 -0.20 2.22 -0.69 0.00 0.00 178.15 179.67 2npf n PHE 677 N -4.29 0.00 -0.20 1.37 -0.00 -1.26 -4.85 117.46 108.23 2npf n PHE 677 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.43 2npf n PHE 677 Cb 0.20 0.13 0.00 0.00 -0.00 0.00 0.00 39.48 39.80 2npf n PHE 677 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 2npf n GLY 678 N 0.00 0.62 3.89 4.97 0.00 -1.00 -4.89 105.19 108.77 2npf n GLY 678 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 2npf n GLY 678 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2npf s GLU 679 N -0.78 2.66 0.37 1.61 2.56 -1.26 -4.01 118.70 119.85 2npf s GLU 679 Ca 0.00 0.36 -0.27 0.00 0.00 0.00 0.00 54.97 55.06 2npf s GLU 679 Cb 0.00 -2.02 -0.09 0.00 2.00 0.00 0.00 34.13 34.02 2npf s GLU 679 CO 0.00 -1.14 1.20 -1.21 -0.56 0.00 0.00 175.26 173.55 2npf s GLU 680 N -5.39 4.18 0.62 4.30 2.02 -1.18 0.30 118.70 123.55 2npf s GLU 680 Ca 0.59 1.95 -0.12 0.00 0.02 0.00 0.00 54.97 57.40 2npf s GLU 680 Cb -0.11 -2.83 -0.04 0.00 0.10 0.00 0.00 34.13 31.25 2npf s GLU 680 CO 0.51 -0.24 1.03 -1.64 0.02 0.00 0.00 175.26 174.94 2npf s MET 681 N -2.07 3.48 -0.20 1.61 -1.94 0.14 -1.07 119.30 119.25 2npf s MET 681 Ca 0.54 0.88 -0.13 0.00 -1.71 0.00 0.00 55.69 55.26 2npf s MET 681 Cb -0.34 -2.06 0.06 0.00 2.01 0.00 0.00 34.83 34.50 2npf s MET 681 CO 0.43 -0.66 0.49 0.50 -0.01 0.00 0.00 175.02 175.77 2npf s ARG 682 N -4.83 0.52 -0.91 2.03 3.52 -0.48 -4.76 118.95 114.04 2npf s ARG 682 Ca 0.57 0.83 0.00 0.00 -0.13 0.00 0.00 55.73 57.00 2npf s ARG 682 Cb -0.12 0.12 0.00 0.00 -1.56 0.00 0.00 34.95 33.39 2npf s ARG 682 CO 0.48 -0.12 0.00 0.43 -0.81 0.00 0.00 175.30 175.28 2npf n SER 683 N 3.74 -3.62 -4.41 -2.12 7.64 0.42 -4.42 113.62 110.85 2npf n SER 683 Ca -0.19 0.08 -0.43 0.00 1.01 0.00 0.00 58.87 59.34 2npf n SER 683 Cb 0.56 -2.55 -0.09 0.00 -1.01 0.00 0.00 64.21 61.12 2npf n SER 683 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2npf s VAL 684 N -2.44 5.12 -0.11 0.44 1.01 -1.22 -0.28 120.40 122.92 2npf s VAL 684 Ca 0.00 -0.90 -0.16 0.00 0.00 0.00 0.00 61.98 60.93 2npf s VAL 684 Cb 0.00 -3.96 -0.05 0.00 0.00 0.00 0.00 36.38 32.38 2npf s VAL 684 CO 0.00 -0.43 0.38 -0.60 0.00 0.00 0.00 175.10 174.45 2npf s ARG 685 N 1.64 4.21 -0.14 2.72 3.52 -0.53 -1.54 118.95 128.83 2npf s ARG 685 Ca 0.04 0.29 0.01 0.00 -0.13 0.00 0.00 55.73 55.94 2npf s ARG 685 Cb -0.22 -3.39 0.02 0.00 -1.56 0.00 0.00 34.95 29.81 2npf s ARG 685 CO 0.08 0.31 -0.16 0.08 -0.81 0.00 0.00 175.30 174.79 2npf s VAL 686 N 0.20 1.66 -0.34 7.11 1.01 -0.02 -1.31 120.40 128.71 2npf s VAL 686 Ca 0.22 -0.71 -0.10 0.00 0.00 0.00 0.00 61.98 61.39 2npf s VAL 686 Cb -0.14 -1.53 0.01 0.00 0.00 0.00 0.00 36.38 34.72 2npf s VAL 686 CO 0.08 0.47 0.17 0.20 0.00 0.00 0.00 175.10 176.02 2npf s ASN 687 N 1.30 5.57 -0.70 3.32 0.01 -0.81 -0.57 114.94 123.07 2npf s ASN 687 Ca 0.02 -0.82 -0.26 0.00 -0.71 0.00 0.00 52.86 51.08 2npf s ASN 687 Cb -0.13 -1.99 0.00 0.00 0.41 0.00 0.00 41.25 39.54 2npf s ASN 687 CO -0.08 -0.30 1.60 -0.63 -1.51 0.00 0.00 177.10 176.18 2npf s ILE 688 N 1.56 3.54 0.07 0.60 -1.09 -0.73 -2.20 121.20 122.94 2npf s ILE 688 Ca 0.03 0.23 -0.18 0.00 -2.23 0.00 0.00 60.65 58.50 2npf s ILE 688 Cb -0.18 -4.41 -0.11 0.00 -1.58 0.00 0.00 42.46 36.18 2npf s ILE 688 CO 0.06 -1.36 1.39 -0.07 -1.23 0.00 0.00 174.94 173.73 2npf h LEU 689 N 14.89 0.56 -7.00 2.97 3.38 -1.41 -1.25 115.31 127.45 2npf h LEU 689 Ca -0.24 -0.46 0.04 0.00 0.09 0.00 0.00 57.88 57.31 2npf h LEU 689 Cb 1.10 -0.16 -0.21 0.00 0.09 0.00 0.00 40.66 41.48 2npf h LEU 689 CO 1.25 0.90 0.43 -0.62 0.09 0.00 0.00 178.44 180.50 2npf s ASP 690 N -6.31 -0.46 0.03 -0.43 2.15 -0.41 -4.05 116.67 107.20 2npf s ASP 690 Ca -0.13 0.47 0.04 0.00 0.43 0.00 0.00 52.55 53.36 2npf s ASP 690 Cb 0.07 0.38 -0.02 0.00 -0.30 0.00 0.00 42.92 43.05 2npf s ASP 690 CO 0.79 -0.44 -0.12 -0.69 -0.17 0.00 0.00 175.17 174.53 2npf s VAL 691 N -1.26 0.97 -0.49 1.11 1.01 -1.26 -0.88 120.40 119.59 2npf s VAL 691 Ca -0.04 -0.89 0.03 0.00 0.00 0.00 0.00 61.98 61.08 2npf s VAL 691 Cb -0.00 -0.88 0.14 0.00 0.00 0.00 0.00 36.38 35.63 2npf s VAL 691 CO 0.03 0.00 0.28 0.42 0.00 0.00 0.00 175.10 175.84 2npf s THR 692 N -0.78 1.80 0.44 3.92 -4.23 -0.82 -4.84 115.64 111.13 2npf s THR 692 Ca 0.01 -2.95 -0.05 0.00 -1.18 0.00 0.00 61.69 57.51 2npf s THR 692 Cb -0.07 -2.25 0.10 0.00 1.34 0.00 0.00 72.50 71.62 2npf s THR 692 CO 0.01 -0.91 0.60 0.18 -0.54 0.00 0.00 174.62 173.96 2npf n LEU 693 N 3.21 0.00 -4.98 4.79 4.77 -1.26 -2.20 117.00 121.32 2npf n LEU 693 Ca 0.10 -0.84 -0.20 0.00 -0.03 0.00 0.00 56.01 55.04 2npf n LEU 693 Cb 0.35 -0.44 0.02 0.00 -2.33 0.00 0.00 43.42 41.02 2npf n LEU 693 CO 0.26 -0.89 0.24 -2.28 -1.33 0.00 0.00 177.39 173.39 2npf s HIS 694 N -2.07 2.99 -1.98 -1.77 5.65 -1.26 -4.83 115.29 112.01 2npf s HIS 694 Ca 0.36 -0.08 0.29 0.00 0.25 0.00 0.00 55.06 55.88 2npf s HIS 694 Cb -0.01 -2.42 1.37 0.00 -1.18 0.00 0.00 32.58 30.34 2npf s HIS 694 CO 0.25 -0.48 1.93 0.00 -0.65 0.00 0.00 174.74 175.79 2npf n ALA 695 N -2.03 2.69 -2.72 1.58 0.00 -1.26 -4.90 120.51 113.87 2npf n ALA 695 Ca 0.05 -0.30 -0.10 0.00 0.00 0.00 0.00 53.44 53.10 2npf n ALA 695 Cb 0.59 -1.34 -0.07 0.00 0.00 0.00 0.00 19.45 18.63 2npf n ALA 695 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2npf s ASP 696 N -2.21 0.03 0.08 0.00 -1.08 -1.26 -5.08 116.67 107.14 2npf s ASP 696 Ca 0.37 -0.51 -0.34 0.00 -0.52 0.00 0.00 52.55 51.55 2npf s ASP 696 Cb 0.21 0.35 -0.18 0.00 -1.46 0.00 0.00 42.92 41.84 2npf s ASP 696 CO 0.41 -0.71 1.61 0.00 0.52 0.00 0.00 175.17 177.00 2npf h ALA 697 N 2.86 -0.99 -0.81 3.66 0.00 -1.97 -3.23 119.26 118.78 2npf h ALA 697 Ca -0.33 -0.20 0.26 0.00 0.00 0.00 0.00 54.91 54.64 2npf h ALA 697 Cb 1.21 0.46 -0.06 0.00 0.00 0.00 0.00 17.79 19.39 2npf h ALA 697 CO 0.52 -1.07 0.54 1.51 0.00 0.00 0.00 179.25 180.75 2npf n ILE 698 N -5.53 -0.10 -1.48 0.00 3.06 -1.26 0.66 119.36 114.72 2npf n ILE 698 Ca -0.13 0.90 -0.07 0.00 -2.50 0.00 0.00 62.75 60.95 2npf n ILE 698 Cb 0.41 -1.48 0.19 0.00 0.54 0.00 0.00 39.64 39.30 2npf n ILE 698 CO 0.00 0.00 0.00 1.41 -2.50 0.00 0.00 176.55 175.46 2npf n HIS 699 N -3.52 1.27 -1.57 9.51 8.25 -1.22 -4.51 115.22 123.43 2npf n HIS 699 Ca 0.22 -1.69 0.00 0.00 -0.26 0.00 0.00 57.72 55.99 2npf n HIS 699 Cb 0.89 -0.53 0.00 0.00 1.12 0.00 0.00 29.99 31.47 2npf n HIS 699 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2npf n ARG 700 N -1.11 0.00 -0.07 -0.41 1.74 0.21 -4.81 116.66 112.21 2npf n ARG 700 Ca 0.36 -0.42 -0.04 0.00 -0.77 0.00 0.00 57.85 56.97 2npf n ARG 700 Cb 1.05 -0.32 0.04 0.00 -1.02 0.00 0.00 32.46 32.21 2npf n ARG 700 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2npf n GLY 701 N 0.00 -3.29 0.17 -0.13 0.00 -1.19 -4.49 105.19 96.25 2npf n GLY 701 Ca 0.00 -1.32 -0.09 0.00 0.00 0.00 0.00 46.02 44.62 2npf n GLY 701 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2npf h GLY 702 N -1.15 0.02 1.74 -0.02 0.00 -1.98 -1.97 103.07 99.70 2npf h GLY 702 Ca -0.05 0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.42 2npf h GLY 702 CO 0.03 -0.13 0.09 0.61 0.00 0.00 0.00 176.54 177.15 2npf n GLY 703 N -1.27 -0.74 0.13 4.60 0.00 -1.26 -2.00 105.19 104.65 2npf n GLY 703 Ca -0.02 0.15 -0.22 0.00 0.00 0.00 0.00 46.02 45.93 2npf n GLY 703 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2npf n GLN 704 N -2.10 0.65 -0.03 1.61 1.13 -0.77 -4.58 117.38 113.29 2npf n GLN 704 Ca -0.01 0.28 -0.09 0.00 -1.94 0.00 0.00 57.00 55.24 2npf n GLN 704 Cb 0.12 -1.61 -0.08 0.00 0.11 0.00 0.00 30.24 28.78 2npf n GLN 704 CO 0.00 0.00 0.00 0.82 -1.44 0.00 0.00 177.06 176.44 2npf h ILE 705 N -0.40 1.05 -0.98 5.09 1.08 -1.11 -3.32 117.51 118.94 2npf h ILE 705 Ca -0.53 -1.63 0.11 0.00 -0.39 0.00 0.00 64.86 62.43 2npf h ILE 705 Cb 1.76 1.93 -0.13 0.00 -3.07 0.00 0.00 36.82 37.31 2npf h ILE 705 CO -0.14 0.33 -0.51 -0.38 -0.69 0.00 0.00 178.15 176.76 2npf n ILE 706 N -4.75 -0.61 -0.35 -0.67 5.41 -0.85 -0.12 119.36 117.42 2npf n ILE 706 Ca -0.07 2.34 0.02 0.00 1.00 0.00 0.00 62.75 66.04 2npf n ILE 706 Cb 0.29 -2.95 0.17 0.00 -0.71 0.00 0.00 39.64 36.43 2npf n ILE 706 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 176.55 175.90 2npf h PRO 707 N 0.00 1.07 -0.22 0.38 0.11 -1.80 -1.09 132.00 130.46 2npf h PRO 707 Ca 0.22 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 66.26 2npf h PRO 707 Cb 0.46 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 31.32 2npf h PRO 707 CO -0.94 0.71 0.12 1.15 -0.21 0.00 0.00 178.00 178.84 2npf h THR 708 N 1.11 1.11 0.70 -1.15 2.02 -0.62 -1.20 112.91 114.88 2npf h THR 708 Ca 0.42 -0.28 -0.03 0.00 0.77 0.00 0.00 66.41 67.28 2npf h THR 708 Cb 0.19 0.90 0.01 0.00 -1.74 0.00 0.00 68.15 67.50 2npf h THR 708 CO -0.18 0.10 -0.34 -0.03 0.37 0.00 0.00 175.52 175.45 2npf h MET 709 N 0.25 -0.91 -0.46 6.66 -1.53 -0.71 0.23 114.93 118.47 2npf h MET 709 Ca 0.08 0.06 0.07 0.00 -3.44 0.00 0.00 59.70 56.47 2npf h MET 709 Cb 0.06 0.21 -0.09 0.00 -0.55 0.00 0.00 31.60 31.22 2npf h MET 709 CO -0.01 -0.58 -0.44 -0.09 0.14 0.00 0.00 176.91 175.92 2npf h ARG 710 N -1.19 -0.29 -0.49 0.39 2.43 -1.25 0.49 114.38 114.46 2npf h ARG 710 Ca -0.10 0.02 0.04 0.00 -0.81 0.00 0.00 59.98 59.13 2npf h ARG 710 Cb 0.74 0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 30.32 2npf h ARG 710 CO 0.16 -0.20 0.26 -0.09 -1.51 0.00 0.00 179.97 178.60 2npf h ARG 711 N -0.30 0.51 -0.49 0.20 2.43 -1.26 -1.64 114.38 113.82 2npf h ARG 711 Ca 0.14 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.28 2npf h ARG 711 Cb 0.58 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.99 2npf h ARG 711 CO -0.61 0.34 0.28 0.00 -1.51 0.00 0.00 179.97 178.47 2npf h ALA 712 N 1.25 1.58 -0.14 2.80 0.00 0.94 -2.09 119.26 123.60 2npf h ALA 712 Ca 0.21 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 2npf h ALA 712 Cb 0.09 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 2npf h ALA 712 CO -0.13 0.36 -0.04 1.15 0.00 0.00 0.00 179.25 180.59 2npf h THR 713 N 0.68 1.30 -0.82 0.00 2.02 0.71 -1.13 112.91 115.66 2npf h THR 713 Ca 0.18 -1.01 0.05 0.00 0.77 0.00 0.00 66.41 66.40 2npf h THR 713 Cb -0.01 1.68 -0.06 0.00 -1.74 0.00 0.00 68.15 68.03 2npf h THR 713 CO -0.03 0.29 0.51 1.88 0.37 0.00 0.00 175.52 178.54 2npf h TYR 714 N -0.04 0.95 0.49 3.16 -1.99 -1.08 0.40 116.97 118.85 2npf h TYR 714 Ca 0.03 0.03 -0.01 0.00 2.00 0.00 0.00 58.73 60.78 2npf h TYR 714 Cb 0.48 -0.31 -0.02 0.00 2.00 0.00 0.00 36.73 38.88 2npf h TYR 714 CO 0.06 0.50 -0.46 0.00 -0.00 0.00 0.00 178.16 178.26 2npf h ALA 715 N 1.38 -1.03 -0.96 3.88 0.00 -1.24 0.43 119.26 121.71 2npf h ALA 715 Ca 0.35 -0.17 0.06 0.00 0.00 0.00 0.00 54.91 55.15 2npf h ALA 715 Cb 0.11 0.65 -0.06 0.00 0.00 0.00 0.00 17.79 18.49 2npf h ALA 715 CO -0.15 -1.12 0.62 0.78 0.00 0.00 0.00 179.25 179.38 2npf h GLY 716 N -0.95 1.43 0.59 0.00 0.00 -0.56 0.07 103.07 103.65 2npf h GLY 716 Ca -0.05 -0.45 -0.03 0.00 0.00 0.00 0.00 47.33 46.80 2npf h GLY 716 CO -0.05 0.33 -0.36 -2.75 0.00 0.00 0.00 176.54 173.71 2npf h PHE 717 N 1.12 -0.97 -0.95 5.60 3.57 0.29 -2.49 116.94 123.11 2npf h PHE 717 Ca 0.41 -0.01 0.17 0.00 3.53 0.00 0.00 57.97 62.07 2npf h PHE 717 Cb 0.16 0.34 -0.08 0.00 2.79 0.00 0.00 35.95 39.16 2npf h PHE 717 CO -0.00 -0.54 0.60 -0.07 -2.23 0.00 0.00 178.31 176.07 2npf h LEU 718 N -0.89 0.69 0.00 0.59 4.07 -0.64 0.19 115.31 119.31 2npf h LEU 718 Ca -0.08 0.06 0.00 0.00 0.08 0.00 0.00 57.88 57.94 2npf h LEU 718 Cb 0.71 -0.07 0.00 0.00 1.08 0.00 0.00 40.66 42.39 2npf h LEU 718 CO 0.08 0.30 0.00 0.18 -1.08 0.00 0.00 178.44 177.92 2npf n LEU 719 N -4.63 0.00 -1.40 1.67 4.77 -0.01 -3.51 117.00 113.89 2npf n LEU 719 Ca 0.20 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 56.15 2npf n LEU 719 Cb 0.54 0.00 0.24 0.00 -2.33 0.00 0.00 43.42 41.87 2npf n LEU 719 CO 0.27 0.00 0.84 0.00 -1.33 0.00 0.00 177.39 177.17 2npf n ALA 720 N -0.89 4.15 -3.11 -1.18 0.00 0.66 -0.58 120.51 119.55 2npf n ALA 720 Ca 0.15 -2.70 -0.03 0.00 0.00 0.00 0.00 53.44 50.85 2npf n ALA 720 Cb 0.07 -0.93 0.01 0.00 0.00 0.00 0.00 19.45 18.60 2npf n ALA 720 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2npf n ASP 721 N -0.74 -7.55 -4.69 0.00 2.03 -1.23 -2.39 116.55 101.97 2npf n ASP 721 Ca 0.35 -0.19 -0.33 0.00 0.52 0.00 0.00 54.79 55.14 2npf n ASP 721 Cb 1.15 -5.21 0.13 0.00 -0.72 0.00 0.00 41.12 36.48 2npf n ASP 721 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 2npf s PRO 722 N -3.28 1.52 0.23 -0.67 0.04 -1.26 -1.28 135.00 130.31 2npf s PRO 722 Ca 0.07 1.69 -0.19 0.00 0.04 0.00 0.00 61.00 62.61 2npf s PRO 722 Cb -0.01 -1.77 0.03 0.00 0.04 0.00 0.00 34.50 32.79 2npf s PRO 722 CO 0.75 -2.29 0.62 0.15 0.04 0.00 0.00 177.00 176.27 2npf s LYS 723 N -4.27 1.56 0.01 4.56 3.01 0.94 -4.59 119.74 120.96 2npf s LYS 723 Ca 0.71 -0.91 0.08 0.00 -1.01 0.00 0.00 55.97 54.84 2npf s LYS 723 Cb -0.27 0.56 -0.02 0.00 -1.01 0.00 0.00 37.83 37.09 2npf s LYS 723 CO 0.52 -0.69 -0.24 0.96 0.51 0.00 0.00 175.35 176.41 2npf s ILE 724 N -3.89 1.91 -0.08 2.17 -0.00 -1.26 -0.74 121.20 119.31 2npf s ILE 724 Ca 0.10 -1.13 -0.06 0.00 -0.00 0.00 0.00 60.65 59.56 2npf s ILE 724 Cb -0.03 -1.61 -0.04 0.00 -0.00 0.00 0.00 42.46 40.78 2npf s ILE 724 CO 0.01 0.44 0.17 -1.10 -0.00 0.00 0.00 174.94 174.47 2npf s GLN 725 N -0.82 3.47 -0.05 0.37 -0.21 0.14 -1.94 119.66 120.62 2npf s GLN 725 Ca 0.10 -0.15 0.03 0.00 0.02 0.00 0.00 55.36 55.35 2npf s GLN 725 Cb -0.09 -3.16 -0.03 0.00 1.00 0.00 0.00 33.01 30.73 2npf s GLN 725 CO 0.00 0.74 -0.11 -1.83 -2.12 0.00 0.00 175.29 171.98 2npf s GLU 726 N -1.31 2.58 0.45 2.91 -1.05 -0.33 -1.57 118.70 120.38 2npf s GLU 726 Ca 0.19 -0.65 -0.24 0.00 -0.15 0.00 0.00 54.97 54.13 2npf s GLU 726 Cb -0.12 -2.47 -0.07 0.00 -0.44 0.00 0.00 34.13 31.02 2npf s GLU 726 CO 0.09 0.63 1.20 -1.25 0.95 0.00 0.00 175.26 176.88 2npf s PRO 727 N -0.87 3.77 -0.04 -4.83 0.04 -1.26 -1.71 135.00 130.10 2npf s PRO 727 Ca 0.13 1.87 0.01 0.00 0.04 0.00 0.00 61.00 63.05 2npf s PRO 727 Cb -0.11 -2.48 0.02 0.00 0.04 0.00 0.00 34.50 31.98 2npf s PRO 727 CO 0.02 -0.57 -0.04 0.08 0.04 0.00 0.00 177.00 176.53 2npf s VAL 728 N -1.47 0.51 0.29 -0.36 1.01 0.57 -1.24 120.40 119.71 2npf s VAL 728 Ca 0.62 -0.11 -0.22 0.00 0.00 0.00 0.00 61.98 62.27 2npf s VAL 728 Cb -0.31 -0.54 -0.09 0.00 0.00 0.00 0.00 36.38 35.44 2npf s VAL 728 CO 0.38 0.22 0.83 -0.36 0.00 0.00 0.00 175.10 176.17 2npf s PHE 729 N 0.87 3.61 -0.40 5.22 0.08 -0.21 -0.99 117.98 126.16 2npf s PHE 729 Ca -0.12 1.54 -0.08 0.00 0.12 0.00 0.00 56.93 58.39 2npf s PHE 729 Cb -0.14 -2.75 0.07 0.00 -0.57 0.00 0.00 43.02 39.63 2npf s PHE 729 CO 0.00 0.23 0.22 -1.17 -0.10 0.00 0.00 175.22 174.40 2npf s LEU 730 N -2.20 4.95 -0.17 -0.37 2.96 0.10 -1.40 118.68 122.54 2npf s LEU 730 Ca 0.48 -1.45 -0.05 0.00 -0.22 0.00 0.00 54.13 52.90 2npf s LEU 730 Cb -0.16 -1.95 -0.03 0.00 0.50 0.00 0.00 46.19 44.55 2npf s LEU 730 CO 0.21 -0.48 0.00 0.54 -1.32 0.00 0.00 176.35 175.30 2npf s VAL 731 N 1.40 4.18 -0.19 1.68 0.11 -0.22 -2.49 120.40 124.87 2npf s VAL 731 Ca 0.02 -0.25 -0.05 0.00 -2.93 0.00 0.00 61.98 58.78 2npf s VAL 731 Cb -0.22 -2.86 -0.02 0.00 -1.53 0.00 0.00 36.38 31.74 2npf s VAL 731 CO 0.02 0.47 -0.01 -0.70 -3.33 0.00 0.00 175.10 171.55 2npf s GLU 732 N 0.51 3.62 -0.18 1.54 2.12 -0.64 -1.21 118.70 124.45 2npf s GLU 732 Ca -0.01 -0.52 0.01 0.00 0.36 0.00 0.00 54.97 54.81 2npf s GLU 732 Cb -0.14 -3.06 0.02 0.00 0.26 0.00 0.00 34.13 31.21 2npf s GLU 732 CO 0.02 0.04 -0.19 0.42 -0.54 0.00 0.00 175.26 175.01 2npf s ILE 733 N 0.93 2.16 -0.30 -3.70 1.01 0.22 -2.63 121.20 118.88 2npf s ILE 733 Ca 0.01 -0.91 -0.19 0.00 0.00 0.00 0.00 60.65 59.57 2npf s ILE 733 Cb -0.14 -1.91 -0.01 0.00 0.01 0.00 0.00 42.46 40.40 2npf s ILE 733 CO 0.02 0.53 0.55 -1.10 0.00 0.00 0.00 174.94 174.93 2npf s GLN 734 N 1.28 3.87 0.02 2.79 1.11 -0.64 -0.23 119.66 127.85 2npf s GLN 734 Ca 0.04 0.14 -0.16 0.00 0.01 0.00 0.00 55.36 55.40 2npf s GLN 734 Cb -0.13 -3.73 0.03 0.00 -1.01 0.00 0.00 33.01 28.17 2npf s GLN 734 CO -0.12 -0.52 0.34 0.00 0.01 0.00 0.00 175.29 175.01 2npf s PRO 736 N -1.99 4.18 0.65 0.00 0.02 -1.26 -3.61 135.00 132.98 2npf s PRO 736 Ca -0.09 2.12 0.24 0.00 0.02 0.00 0.00 61.00 63.29 2npf s PRO 736 Cb -0.02 -2.90 1.24 0.00 0.02 0.00 0.00 34.50 32.84 2npf s PRO 736 CO 0.00 -0.30 1.70 1.05 -0.33 0.00 0.00 177.00 179.12 2npf h GLU 737 N 3.02 0.00 0.02 5.54 4.11 -2.00 -1.55 114.58 123.73 2npf h GLU 737 Ca -0.49 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 58.94 2npf h GLU 737 Cb 1.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.48 2npf h GLU 737 CO 0.64 0.00 -0.01 -0.56 0.07 0.00 0.00 179.01 179.15 2npf h GLN 738 N 0.00 -0.03 0.00 1.06 3.07 -2.03 -3.33 115.11 113.85 2npf h GLN 738 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.81 2npf h GLN 738 Cb 1.17 0.01 0.00 0.00 0.08 0.00 0.00 27.48 28.73 2npf h GLN 738 CO -0.00 0.22 0.00 0.00 0.09 0.00 0.00 178.83 179.14 2npf n ALA 739 N -2.73 1.61 0.12 0.06 0.00 -0.64 -3.08 120.51 115.86 2npf n ALA 739 Ca -0.03 0.06 0.16 0.00 0.00 0.00 0.00 53.44 53.63 2npf n ALA 739 Cb 0.12 -1.34 0.48 0.00 0.00 0.00 0.00 19.45 18.71 2npf n ALA 739 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2npf h VAL 740 N 0.00 0.08 -0.11 0.00 2.07 -1.53 1.51 116.25 118.27 2npf h VAL 740 Ca 0.00 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.44 2npf h VAL 740 Cb 0.31 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 30.37 2npf h VAL 740 CO 0.00 0.00 -0.31 1.23 0.02 0.00 0.00 177.57 178.51 2npf h GLY 741 N 0.00 0.23 0.93 2.17 0.00 -1.80 -3.01 103.07 101.59 2npf h GLY 741 Ca 0.19 -0.19 -0.01 0.00 0.00 0.00 0.00 47.33 47.31 2npf h GLY 741 CO -0.00 0.17 0.13 -1.33 0.00 0.00 0.00 176.54 175.51 2npf h GLY 742 N 1.04 0.49 -0.46 4.60 0.00 0.20 -2.13 103.07 106.81 2npf h GLY 742 Ca 0.03 -0.26 0.08 0.00 0.00 0.00 0.00 47.33 47.18 2npf h GLY 742 CO 0.05 0.24 -0.46 -2.22 0.00 0.00 0.00 176.54 174.15 2npf h ILE 743 N 0.36 0.08 -0.28 2.60 2.04 -1.59 -0.34 117.51 120.38 2npf h ILE 743 Ca 0.10 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.00 2npf h ILE 743 Cb 0.16 0.08 -0.04 0.00 -0.74 0.00 0.00 36.82 36.27 2npf h ILE 743 CO -0.01 0.00 0.05 1.88 0.00 0.00 0.00 178.15 180.07 2npf h TYR 744 N -0.27 0.09 -0.44 1.37 0.05 -1.57 -1.08 116.97 115.12 2npf h TYR 744 Ca 0.15 0.02 0.07 0.00 0.05 0.00 0.00 58.73 59.02 2npf h TYR 744 Cb 0.57 0.00 -0.06 0.00 1.01 0.00 0.00 36.73 38.25 2npf h TYR 744 CO -0.71 0.02 0.08 0.66 -1.05 0.00 0.00 178.16 177.16 2npf h SER 745 N 0.15 -0.01 0.64 3.88 4.64 -0.55 -1.60 113.55 120.70 2npf h SER 745 Ca 0.13 0.08 -0.03 0.00 -0.47 0.00 0.00 61.79 61.49 2npf h SER 745 Cb 0.13 0.11 0.01 0.00 -0.31 0.00 0.00 62.40 62.34 2npf h SER 745 CO -0.17 0.03 -0.31 0.58 -0.87 0.00 0.00 176.83 176.09 2npf h VAL 746 N 0.21 0.27 -0.84 0.95 2.07 -0.79 -3.26 116.25 114.85 2npf h VAL 746 Ca 0.21 -0.22 0.13 0.00 0.82 0.00 0.00 66.70 67.65 2npf h VAL 746 Cb 0.28 0.34 -0.14 0.00 -1.52 0.00 0.00 31.29 30.24 2npf h VAL 746 CO -0.29 0.02 -0.37 -0.07 0.02 0.00 0.00 177.57 176.88 2npf h LEU 747 N -1.03 -1.34 -0.99 2.57 3.38 -0.92 -0.97 115.31 116.00 2npf h LEU 747 Ca -0.09 0.28 0.20 0.00 0.09 0.00 0.00 57.88 58.36 2npf h LEU 747 Cb 0.70 0.69 -0.11 0.00 0.09 0.00 0.00 40.66 42.04 2npf h LEU 747 CO 0.15 -0.29 0.59 0.78 0.09 0.00 0.00 178.44 179.75 2npf h ASN 748 N -0.06 0.74 0.70 -0.43 2.35 -1.34 0.22 115.58 117.76 2npf h ASN 748 Ca 0.30 0.11 0.00 0.00 -0.55 0.00 0.00 56.30 56.16 2npf h ASN 748 Cb 0.58 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.93 2npf h ASN 748 CO -0.87 0.23 0.00 1.17 -1.65 0.00 0.00 177.43 176.31 2npf n LYS 749 N -4.81 0.17 -2.25 0.81 3.00 -0.38 -3.47 118.16 111.24 2npf n LYS 749 Ca 0.24 0.40 -0.21 0.00 -0.00 0.00 0.00 58.31 58.74 2npf n LYS 749 Cb 0.60 -1.83 0.02 0.00 0.00 0.00 0.00 35.03 33.82 2npf n LYS 749 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 2npf n LYS 750 N -2.15 3.22 -1.34 1.64 5.02 0.73 -4.96 118.16 120.32 2npf n LYS 750 Ca 0.02 -4.11 -0.10 0.00 -2.02 0.00 0.00 58.31 52.10 2npf n LYS 750 Cb 0.22 -2.14 -0.04 0.00 -0.02 0.00 0.00 35.03 33.05 2npf n LYS 750 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2npf n ARG 751 N -0.62 -1.27 -0.35 1.97 1.74 -1.19 -4.54 116.66 112.41 2npf n ARG 751 Ca 0.37 0.57 -0.30 0.00 -0.77 0.00 0.00 57.85 57.71 2npf n ARG 751 Cb 0.88 -4.77 0.29 0.00 -1.02 0.00 0.00 32.46 27.83 2npf n ARG 751 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 2npf s GLY 752 N -1.83 1.43 -0.27 -0.13 0.00 -0.86 -4.68 107.32 100.97 2npf s GLY 752 Ca 0.00 -0.64 -0.03 0.00 0.00 0.00 0.00 44.72 44.05 2npf s GLY 752 CO 0.00 0.31 0.49 1.62 0.00 0.00 0.00 173.10 175.52 2npf s GLN 753 N -4.89 0.46 0.24 2.90 0.74 -0.27 -4.84 119.66 114.00 2npf s GLN 753 Ca 0.68 0.82 -0.30 0.00 0.05 0.00 0.00 55.36 56.62 2npf s GLN 753 Cb -0.16 0.09 -0.09 0.00 1.10 0.00 0.00 33.01 33.95 2npf s GLN 753 CO 0.60 -0.59 1.20 0.08 -0.55 0.00 0.00 175.29 176.04 2npf s VAL 754 N 2.71 3.34 -0.25 1.34 1.01 -1.26 -0.21 120.40 127.08 2npf s VAL 754 Ca 0.15 1.22 0.02 0.00 0.00 0.00 0.00 61.98 63.36 2npf s VAL 754 Cb -0.15 -3.78 -0.16 0.00 0.00 0.00 0.00 36.38 32.29 2npf s VAL 754 CO -0.18 0.24 -0.22 0.52 0.00 0.00 0.00 175.10 175.46 2npf n VAL 755 N 1.84 1.41 -3.50 2.92 0.31 0.35 -4.89 118.33 116.78 2npf n VAL 755 Ca 0.02 -0.54 -0.11 0.00 -0.01 0.00 0.00 64.34 63.71 2npf n VAL 755 Cb 0.44 -1.38 -0.03 0.00 -0.91 0.00 0.00 33.84 31.96 2npf n VAL 755 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 2npf s SER 756 N -6.41 -0.45 -0.20 4.52 1.04 -1.13 -4.98 113.70 106.10 2npf s SER 756 Ca -0.33 0.15 -0.04 0.00 0.48 0.00 0.00 55.95 56.21 2npf s SER 756 Cb 0.09 0.44 0.08 0.00 0.10 0.00 0.00 66.02 66.73 2npf s SER 756 CO 0.57 -0.65 0.17 -1.61 0.98 0.00 0.00 173.24 172.69 2npf s GLU 757 N -2.71 0.15 0.01 4.02 8.01 -1.26 -1.18 118.70 125.74 2npf s GLU 757 Ca 0.01 0.01 0.07 0.00 0.01 0.00 0.00 54.97 55.07 2npf s GLU 757 Cb -0.01 -1.42 -0.02 0.00 -4.31 0.00 0.00 34.13 28.37 2npf s GLU 757 CO -0.06 -0.71 -0.22 -1.21 0.01 0.00 0.00 175.26 173.07 2npf s GLU 758 N 2.24 1.65 0.58 1.61 0.41 -1.19 -5.03 118.70 118.97 2npf s GLU 758 Ca 0.05 -0.87 -0.01 0.00 -0.41 0.00 0.00 54.97 53.73 2npf s GLU 758 Cb -0.16 -1.67 0.04 0.00 -1.78 0.00 0.00 34.13 30.55 2npf s GLU 758 CO -0.14 0.45 0.84 -1.14 -0.49 0.00 0.00 175.26 174.77 2npf s GLN 759 N -0.82 2.53 -0.59 1.61 2.00 -1.26 -2.13 119.66 121.00 2npf s GLN 759 Ca 0.08 -0.56 0.00 0.00 -2.00 0.00 0.00 55.36 52.88 2npf s GLN 759 Cb -0.09 -2.40 0.00 0.00 0.80 0.00 0.00 33.01 31.33 2npf s GLN 759 CO 0.00 -0.81 0.00 -2.30 -0.50 0.00 0.00 175.29 171.69 2npf n PRO 764 N -2.49 -0.72 0.00 1.67 -0.01 -1.26 -4.96 135.00 127.24 2npf n PRO 764 Ca 0.07 0.59 0.00 0.00 -0.01 0.00 0.00 63.50 64.15 2npf n PRO 764 Cb 0.60 -4.38 0.00 0.00 -0.01 0.00 0.00 33.50 29.70 2npf n PRO 764 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 175.50 176.77 2npf n LEU 765 N -0.64 0.00 -4.37 2.45 4.77 -1.26 -5.12 117.00 112.83 2npf n LEU 765 Ca -0.06 0.00 -0.19 0.00 -0.03 0.00 0.00 56.01 55.74 2npf n LEU 765 Cb 0.27 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.25 2npf n LEU 765 CO 0.09 0.00 -0.32 0.72 -1.33 0.00 0.00 177.39 176.54 2npf s PHE 766 N 0.00 1.70 -0.28 -1.77 -0.12 -1.24 -5.02 117.98 111.25 2npf s PHE 766 Ca 0.00 -0.90 -0.02 0.00 -0.05 0.00 0.00 56.93 55.97 2npf s PHE 766 Cb 0.00 -1.01 0.04 0.00 -0.63 0.00 0.00 43.02 41.42 2npf s PHE 766 CO 0.00 0.01 -0.03 0.95 -0.05 0.00 0.00 175.22 176.10 2npf s THR 767 N -3.34 2.92 0.03 -4.49 -4.23 -0.90 -1.06 115.64 104.56 2npf s THR 767 Ca 0.30 -1.25 -0.22 0.00 -1.18 0.00 0.00 61.69 59.34 2npf s THR 767 Cb 0.06 -2.60 -0.06 0.00 1.34 0.00 0.00 72.50 71.24 2npf s THR 767 CO 0.11 0.02 0.67 -0.69 -0.54 0.00 0.00 174.62 174.19 2npf s VAL 768 N 1.28 4.79 0.13 2.29 1.01 0.68 -3.16 120.40 127.43 2npf s VAL 768 Ca -0.03 1.42 0.10 0.00 0.00 0.00 0.00 61.98 63.47 2npf s VAL 768 Cb -0.18 -4.01 -0.04 0.00 0.00 0.00 0.00 36.38 32.14 2npf s VAL 768 CO -0.03 0.41 -0.23 -0.54 0.00 0.00 0.00 175.10 174.72 2npf s LYS 769 N -0.25 1.56 0.16 2.72 1.02 -0.32 0.69 119.74 125.32 2npf s LYS 769 Ca 0.34 -1.30 -0.24 0.00 0.02 0.00 0.00 55.97 54.78 2npf s LYS 769 Cb -0.19 -1.98 0.06 0.00 -0.52 0.00 0.00 37.83 35.20 2npf s LYS 769 CO 0.20 0.46 0.84 0.00 -0.92 0.00 0.00 175.35 175.93 2npf s ALA 770 N -1.17 -1.57 -0.14 5.17 0.00 -0.35 -0.49 121.76 123.21 2npf s ALA 770 Ca 0.16 0.21 -0.05 0.00 0.00 0.00 0.00 51.96 52.29 2npf s ALA 770 Cb -0.10 0.68 -0.04 0.00 0.00 0.00 0.00 23.12 23.67 2npf s ALA 770 CO 0.08 -0.95 0.03 0.71 0.00 0.00 0.00 175.76 175.64 2npf s TYR 771 N -3.47 3.22 -0.12 0.00 2.02 0.71 -1.05 117.35 118.66 2npf s TYR 771 Ca 0.09 0.10 -0.03 0.00 -0.37 0.00 0.00 57.07 56.87 2npf s TYR 771 Cb -0.02 -1.95 0.04 0.00 -0.40 0.00 0.00 41.96 39.63 2npf s TYR 771 CO -0.00 0.29 0.04 -1.17 -1.57 0.00 0.00 175.55 173.14 2npf s LEU 772 N -0.20 0.57 0.26 -1.29 2.96 -0.50 -1.11 118.68 119.37 2npf s LEU 772 Ca 0.07 -0.34 -0.29 0.00 -0.22 0.00 0.00 54.13 53.35 2npf s LEU 772 Cb -0.12 -0.36 -0.14 0.00 0.50 0.00 0.00 46.19 46.06 2npf s LEU 772 CO 0.02 -0.27 1.06 -2.65 -1.32 0.00 0.00 176.35 173.19 2npf n PRO 773 N 5.19 1.34 -0.22 0.98 -0.02 -1.26 -1.05 135.00 139.97 2npf n PRO 773 Ca -0.07 0.47 -0.04 0.00 -2.02 0.00 0.00 63.50 61.84 2npf n PRO 773 Cb 0.49 -1.88 0.13 0.00 -0.02 0.00 0.00 33.50 32.21 2npf n PRO 773 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2npf h VAL 774 N 2.19 1.24 0.00 -1.45 2.07 -1.52 -1.99 116.25 116.79 2npf h VAL 774 Ca -0.40 -0.81 0.00 0.00 0.82 0.00 0.00 66.70 66.30 2npf h VAL 774 Cb 1.34 0.47 0.00 0.00 -1.52 0.00 0.00 31.29 31.57 2npf h VAL 774 CO 0.63 0.32 0.00 -0.46 0.02 0.00 0.00 177.57 178.09 2npf n ASN 775 N -4.28 0.00 -0.24 0.57 6.94 -1.26 -2.28 115.26 114.71 2npf n ASN 775 Ca 0.06 -1.01 0.04 0.00 -0.02 0.00 0.00 54.58 53.64 2npf n ASN 775 Cb 0.20 0.00 0.08 0.00 -2.36 0.00 0.00 39.78 37.71 2npf n ASN 775 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 2npf n GLU 776 N -0.85 2.66 -0.01 -3.83 -0.58 -0.76 -4.73 120.64 112.54 2npf n GLU 776 Ca 0.13 -1.94 0.10 0.00 -0.42 0.00 0.00 57.16 55.03 2npf n GLU 776 Cb 0.06 -1.23 -0.14 0.00 -0.57 0.00 0.00 31.44 29.56 2npf n GLU 776 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 2npf n SER 777 N -0.43 0.56 -4.67 1.62 3.41 -0.97 -4.78 113.62 108.37 2npf n SER 777 Ca 0.07 -0.34 -0.43 0.00 -0.26 0.00 0.00 58.87 57.92 2npf n SER 777 Cb 0.42 1.60 -0.03 0.00 -0.26 0.00 0.00 64.21 65.94 2npf n SER 777 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 2npf n PHE 778 N -1.95 2.50 -0.14 7.33 7.35 -1.26 -0.45 117.46 130.84 2npf n PHE 778 Ca -0.01 -0.30 0.00 0.00 -0.76 0.00 0.00 57.45 56.38 2npf n PHE 778 Cb 0.45 -2.78 0.00 0.00 0.35 0.00 0.00 39.48 37.50 2npf n PHE 778 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2npf n GLY 779 N 4.50 1.53 0.34 7.13 0.00 -1.26 -4.96 105.19 112.47 2npf n GLY 779 Ca 0.20 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.10 2npf n GLY 779 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2npf h PHE 780 N 0.00 -0.88 -0.96 1.61 3.57 -1.06 -2.26 116.94 116.95 2npf h PHE 780 Ca 0.00 0.03 0.14 0.00 3.53 0.00 0.00 57.97 61.67 2npf h PHE 780 Cb 0.00 0.39 -0.08 0.00 2.79 0.00 0.00 35.95 39.04 2npf h PHE 780 CO 0.00 -0.42 0.61 0.00 -2.23 0.00 0.00 178.31 176.27 2npf h THR 781 N -0.49 0.84 0.52 4.41 1.03 -1.81 0.16 112.91 117.57 2npf h THR 781 Ca 0.05 -0.28 -0.03 0.00 -0.01 0.00 0.00 66.41 66.14 2npf h THR 781 Cb 0.56 -0.06 0.01 0.00 -1.07 0.00 0.00 68.15 67.59 2npf h THR 781 CO -0.25 0.15 -0.25 1.23 -0.01 0.00 0.00 175.52 176.39 2npf h GLY 782 N 0.83 -0.74 0.78 2.99 0.00 -1.82 -2.75 103.07 102.36 2npf h GLY 782 Ca 0.50 0.27 0.14 0.00 0.00 0.00 0.00 47.33 48.24 2npf h GLY 782 CO -0.27 -0.27 0.47 0.83 0.00 0.00 0.00 176.54 177.31 2npf h GLU 783 N -0.92 0.34 0.53 4.80 5.08 -0.84 -2.18 114.58 121.40 2npf h GLU 783 Ca -0.07 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.25 2npf h GLU 783 Cb 0.61 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.78 2npf h GLU 783 CO 0.12 0.22 -0.32 1.25 -1.00 0.00 0.00 179.01 179.28 2npf h LEU 784 N 0.35 -0.81 -1.24 1.33 5.85 -0.43 -0.48 115.31 119.88 2npf h LEU 784 Ca 0.34 0.05 -0.03 0.00 0.84 0.00 0.00 57.88 59.08 2npf h LEU 784 Cb 0.83 0.24 -0.02 0.00 0.37 0.00 0.00 40.66 42.07 2npf h LEU 784 CO -0.09 -0.51 0.20 0.08 -0.34 0.00 0.00 178.44 177.78 2npf h ARG 785 N -0.81 0.73 -0.87 1.25 0.11 -1.26 -2.23 114.38 111.29 2npf h ARG 785 Ca -0.06 -0.10 0.09 0.00 0.10 0.00 0.00 59.98 60.00 2npf h ARG 785 Cb 0.66 -0.13 -0.07 0.00 1.11 0.00 0.00 29.97 31.54 2npf h ARG 785 CO 0.07 0.60 0.52 0.37 0.10 0.00 0.00 179.97 181.63 2npf h GLN 786 N 0.72 0.86 -0.37 0.08 5.75 -0.89 1.16 115.11 122.43 2npf h GLN 786 Ca 0.17 -0.05 0.00 0.00 -0.15 0.00 0.00 58.65 58.62 2npf h GLN 786 Cb 0.14 -0.19 0.00 0.00 1.07 0.00 0.00 27.48 28.50 2npf h GLN 786 CO -0.02 0.57 0.00 0.00 -2.65 0.00 0.00 178.83 176.73 2npf n ALA 787 N -2.37 2.45 -1.79 3.38 0.00 -0.23 -3.78 120.51 118.17 2npf n ALA 787 Ca 0.14 -0.64 0.00 0.00 0.00 0.00 0.00 53.44 52.94 2npf n ALA 787 Cb 0.26 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 18.74 2npf n ALA 787 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2npf n THR 788 N 0.57 0.00 -4.07 0.00 -2.24 -0.27 -4.07 114.28 104.19 2npf n THR 788 Ca 0.12 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.59 2npf n THR 788 Cb 0.31 0.44 -0.03 0.00 -2.10 0.00 0.00 70.33 68.95 2npf n THR 788 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2npf n GLY 789 N 0.00 -0.38 2.40 3.38 0.00 0.37 0.37 105.19 111.33 2npf n GLY 789 Ca 0.00 0.23 -0.14 0.00 0.00 0.00 0.00 46.02 46.10 2npf n GLY 789 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2npf n GLY 790 N -2.18 -0.33 0.10 -0.02 0.00 0.86 -2.86 105.19 100.76 2npf n GLY 790 Ca -0.26 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.63 2npf n GLY 790 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2npf n GLN 791 N -2.78 0.68 -2.85 1.61 6.02 0.16 -4.76 117.38 115.46 2npf n GLN 791 Ca -0.17 0.28 -0.40 0.00 -0.01 0.00 0.00 57.00 56.70 2npf n GLN 791 Cb 0.62 -1.76 -0.05 0.00 1.02 0.00 0.00 30.24 30.07 2npf n GLN 791 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2npf s ALA 792 N -2.58 3.31 -0.38 -1.58 0.00 -1.26 -4.53 121.76 114.74 2npf s ALA 792 Ca -0.11 0.45 -0.01 0.00 0.00 0.00 0.00 51.96 52.29 2npf s ALA 792 Cb 0.07 -3.14 0.10 0.00 0.00 0.00 0.00 23.12 20.15 2npf s ALA 792 CO 0.80 0.04 0.15 -0.06 0.00 0.00 0.00 175.76 176.70 2npf s PHE 793 N -0.16 3.59 0.57 0.00 0.08 -0.31 -4.77 117.98 116.98 2npf s PHE 793 Ca 0.43 -2.47 -0.00 0.00 0.12 0.00 0.00 56.93 55.00 2npf s PHE 793 Cb -0.22 -3.04 0.04 0.00 -0.57 0.00 0.00 43.02 39.23 2npf s PHE 793 CO 0.27 -0.95 0.81 -1.25 -0.10 0.00 0.00 175.22 174.00 2npf s PRO 794 N 1.11 2.50 -0.29 0.24 0.04 -1.26 -1.63 135.00 135.71 2npf s PRO 794 Ca 0.07 -0.69 -0.16 0.00 0.04 0.00 0.00 61.00 60.26 2npf s PRO 794 Cb -0.22 -2.44 0.14 0.00 0.04 0.00 0.00 34.50 32.03 2npf s PRO 794 CO -0.05 -0.78 0.94 1.14 0.04 0.00 0.00 177.00 178.29 2npf s GLN 795 N -4.83 0.40 0.28 4.56 -2.07 -1.08 -4.81 119.66 112.11 2npf s GLN 795 Ca 0.57 0.75 0.07 0.00 -1.82 0.00 0.00 55.36 54.93 2npf s GLN 795 Cb -0.10 0.16 -0.06 0.00 -1.09 0.00 0.00 33.01 31.92 2npf s GLN 795 CO 0.39 -0.09 -0.06 0.00 -1.32 0.00 0.00 175.29 174.21 2npf s MET 796 N 1.59 1.54 -0.13 9.60 0.23 -1.26 -1.63 119.30 129.24 2npf s MET 796 Ca -0.08 -1.78 -0.23 0.00 -1.03 0.00 0.00 55.69 52.57 2npf s MET 796 Cb -0.04 -1.14 0.06 0.00 -1.53 0.00 0.00 34.83 32.17 2npf s MET 796 CO -0.16 0.04 0.57 0.54 -2.03 0.00 0.00 175.02 173.98 2npf s VAL 797 N -3.02 0.01 0.16 5.16 0.11 -1.04 -4.97 120.40 116.81 2npf s VAL 797 Ca 0.29 -0.08 -0.32 0.00 -2.93 0.00 0.00 61.98 58.95 2npf s VAL 797 Cb 0.04 -0.84 -0.11 0.00 -1.53 0.00 0.00 36.38 33.94 2npf s VAL 797 CO 0.12 -0.04 1.67 0.12 -3.33 0.00 0.00 175.10 173.64 2npf s PHE 798 N -0.42 2.79 -0.05 1.54 5.36 -1.26 0.03 117.98 125.97 2npf s PHE 798 Ca -0.06 0.39 0.00 0.00 -0.96 0.00 0.00 56.93 56.31 2npf s PHE 798 Cb -0.03 -4.05 -0.03 0.00 -0.34 0.00 0.00 43.02 38.57 2npf s PHE 798 CO 0.04 -4.01 -0.04 -3.47 -1.46 0.00 0.00 175.22 166.28 2npf n ASP 799 N 4.42 3.43 -3.70 6.13 -0.08 -0.17 -4.79 116.55 121.79 2npf n ASP 799 Ca 0.15 -0.02 -0.02 0.00 -1.51 0.00 0.00 54.79 53.39 2npf n ASP 799 Cb 0.37 -0.08 -0.01 0.00 2.34 0.00 0.00 41.12 43.75 2npf n ASP 799 CO 0.00 0.00 0.00 -1.38 0.12 0.00 0.00 177.20 175.94 2npf s HIS 800 N -2.09 -0.11 0.17 -0.67 -3.43 -0.97 -5.02 115.29 103.16 2npf s HIS 800 Ca -0.06 -0.12 -0.02 0.00 -0.80 0.00 0.00 55.06 54.05 2npf s HIS 800 Cb 0.02 0.61 -0.05 0.00 -1.43 0.00 0.00 32.58 31.73 2npf s HIS 800 CO 0.11 -0.65 0.37 -1.58 -2.00 0.00 0.00 174.74 170.98 2npf s TRP 801 N -3.03 3.48 -0.11 0.38 0.52 -1.26 -0.32 118.94 118.61 2npf s TRP 801 Ca 0.12 0.41 -0.04 0.00 0.02 0.00 0.00 56.10 56.61 2npf s TRP 801 Cb 0.00 -1.90 0.05 0.00 -1.15 0.00 0.00 33.47 30.48 2npf s TRP 801 CO -0.00 0.42 0.22 0.45 0.02 0.00 0.00 176.95 178.06 2npf s SER 802 N -2.85 0.23 0.14 2.95 0.15 -0.70 -4.93 113.70 108.70 2npf s SER 802 Ca 0.39 0.49 -0.30 0.00 0.70 0.00 0.00 55.95 57.23 2npf s SER 802 Cb -0.12 0.48 -0.07 0.00 -1.71 0.00 0.00 66.02 64.60 2npf s SER 802 CO 0.27 -0.21 1.16 -0.89 1.20 0.00 0.00 173.24 174.77 2npf s THR 803 N 1.96 3.82 -0.30 6.45 2.01 -1.26 -1.19 115.64 127.12 2npf s THR 803 Ca -0.02 1.47 -0.18 0.00 0.31 0.00 0.00 61.69 63.27 2npf s THR 803 Cb -0.12 -3.94 -0.02 0.00 0.01 0.00 0.00 72.50 68.44 2npf s THR 803 CO -0.08 0.20 0.50 -0.76 -0.69 0.00 0.00 174.62 173.79 2npf s LEU 804 N 0.11 4.18 0.49 4.42 1.43 -0.82 -4.96 118.68 123.54 2npf s LEU 804 Ca 0.53 0.24 0.18 0.00 -1.03 0.00 0.00 54.13 54.05 2npf s LEU 804 Cb -0.30 -2.60 1.22 0.00 0.03 0.00 0.00 46.19 44.54 2npf s LEU 804 CO 0.34 -0.36 2.05 1.23 0.23 0.00 0.00 176.35 179.84 2npf h GLY 805 N 8.91 0.18 -2.11 -3.19 0.00 -1.95 -3.40 103.07 101.52 2npf h GLY 805 Ca -0.29 -0.06 -0.50 0.00 0.00 0.00 0.00 47.33 46.48 2npf h GLY 805 CO 0.73 0.04 -1.89 1.44 0.00 0.00 0.00 176.54 176.86 2npf n SER 806 N -4.46 -3.47 -4.39 0.19 7.64 -1.26 -4.88 113.62 102.98 2npf n SER 806 Ca 0.05 0.05 -0.44 0.00 1.01 0.00 0.00 58.87 59.54 2npf n SER 806 Cb 0.32 -0.75 -0.06 0.00 -1.01 0.00 0.00 64.21 62.71 2npf n SER 806 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2npf s ASP 807 N -1.32 6.19 0.38 6.43 3.68 -1.26 -4.87 116.67 125.90 2npf s ASP 807 Ca 0.44 -1.27 0.21 0.00 2.13 0.00 0.00 52.55 54.06 2npf s ASP 807 Cb -0.05 -2.24 1.23 0.00 -1.45 0.00 0.00 42.92 40.41 2npf s ASP 807 CO 0.70 -0.84 1.65 -0.65 0.13 0.00 0.00 175.17 176.16 2npf h PRO 808 N 8.93 0.20 -0.00 4.34 0.11 -1.88 0.10 132.00 143.80 2npf h PRO 808 Ca -0.28 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.81 2npf h PRO 808 Cb 1.10 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.16 2npf h PRO 808 CO 0.97 0.13 -0.12 1.28 -0.21 0.00 0.00 178.00 180.05 2npf n LEU 809 N -4.93 0.18 -4.32 2.35 4.32 -1.26 -3.81 117.00 109.53 2npf n LEU 809 Ca 0.34 0.29 -0.46 0.00 -0.02 0.00 0.00 56.01 56.15 2npf n LEU 809 Cb 1.16 -0.37 -0.04 0.00 -1.62 0.00 0.00 43.42 42.55 2npf n LEU 809 CO 0.13 0.04 0.23 -0.62 -1.22 0.00 0.00 177.39 175.96 2npf s ASP 810 N -2.86 6.32 0.09 -1.43 2.15 0.35 -4.88 116.67 116.41 2npf s ASP 810 Ca 0.18 -1.97 0.01 0.00 0.43 0.00 0.00 52.55 51.19 2npf s ASP 810 Cb 0.19 -2.22 0.06 0.00 -0.30 0.00 0.00 42.92 40.65 2npf s ASP 810 CO 0.55 -0.81 0.67 -2.65 -0.17 0.00 0.00 175.17 172.76 2npf n PRO 811 N 5.05 0.01 0.07 4.34 -0.02 -1.26 -1.00 135.00 142.19 2npf n PRO 811 Ca -0.07 0.20 0.09 0.00 -2.02 0.00 0.00 63.50 61.70 2npf n PRO 811 Cb 0.42 -2.00 -0.04 0.00 -0.02 0.00 0.00 33.50 31.85 2npf n PRO 811 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2npf n THR 812 N -1.29 0.64 -2.18 3.45 -2.24 -1.26 -3.58 114.28 107.82 2npf n THR 812 Ca -0.00 -0.57 -0.28 0.00 -2.27 0.00 0.00 64.05 60.93 2npf n THR 812 Cb 0.48 -0.36 0.04 0.00 -2.10 0.00 0.00 70.33 68.39 2npf n THR 812 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2npf s SER 813 N -5.31 5.41 0.19 3.42 1.04 -0.17 -4.84 113.70 113.44 2npf s SER 813 Ca -0.02 0.83 -0.12 0.00 0.48 0.00 0.00 55.95 57.12 2npf s SER 813 Cb 0.10 -1.70 0.21 0.00 0.10 0.00 0.00 66.02 64.73 2npf s SER 813 CO 0.81 -1.25 1.74 0.07 0.98 0.00 0.00 173.24 175.59 2npf h LYS 814 N -0.42 0.34 0.35 4.02 2.10 -1.91 0.43 116.57 121.48 2npf h LYS 814 Ca -0.45 -0.02 -0.01 0.00 -2.00 0.00 0.00 60.65 58.17 2npf h LYS 814 Cb 1.26 -0.08 -0.01 0.00 -0.90 0.00 0.00 32.23 32.51 2npf h LYS 814 CO 0.62 0.22 -0.26 0.00 -2.00 0.00 0.00 179.45 178.03 2npf h ALA 815 N 1.37 -0.60 -0.69 0.07 0.00 -1.89 -2.09 119.26 115.43 2npf h ALA 815 Ca 0.26 -0.11 0.10 0.00 0.00 0.00 0.00 54.91 55.16 2npf h ALA 815 Cb 0.30 0.35 -0.04 0.00 0.00 0.00 0.00 17.79 18.40 2npf h ALA 815 CO -0.28 -0.86 0.46 0.78 0.00 0.00 0.00 179.25 179.35 2npf h GLY 816 N -0.61 0.77 0.91 0.00 0.00 -1.50 0.39 103.07 103.03 2npf h GLY 816 Ca -0.03 -0.22 -0.02 0.00 0.00 0.00 0.00 47.33 47.06 2npf h GLY 816 CO -0.00 0.13 -0.20 0.83 0.00 0.00 0.00 176.54 177.30 2npf h GLU 817 N 0.54 -0.54 0.15 4.80 5.08 -0.51 0.13 114.58 124.23 2npf h GLU 817 Ca 0.32 0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.72 2npf h GLU 817 Cb 0.53 0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.86 2npf h GLU 817 CO -0.10 -0.31 -0.49 0.82 -1.00 0.00 0.00 179.01 177.93 2npf h ILE 818 N -0.66 0.00 -0.89 3.13 2.04 -0.68 0.54 117.51 120.99 2npf h ILE 818 Ca -0.06 0.00 0.20 0.00 1.00 0.00 0.00 64.86 66.00 2npf h ILE 818 Cb 0.49 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 36.50 2npf h ILE 818 CO 0.09 0.00 0.59 0.58 0.00 0.00 0.00 178.15 179.42 2npf h VAL 819 N -0.73 0.68 0.27 1.67 2.07 -0.92 0.33 116.25 119.62 2npf h VAL 819 Ca -0.01 -0.13 -0.01 0.00 0.82 0.00 0.00 66.70 67.36 2npf h VAL 819 Cb 0.72 0.25 0.00 0.00 -1.52 0.00 0.00 31.29 30.75 2npf h VAL 819 CO -0.25 0.07 -0.13 0.25 0.02 0.00 0.00 177.57 177.53 2npf h LEU 820 N 0.39 -0.31 -1.00 2.57 5.85 0.12 -1.57 115.31 121.36 2npf h LEU 820 Ca 0.46 -0.21 0.04 0.00 0.84 0.00 0.00 57.88 59.02 2npf h LEU 820 Cb 1.17 0.08 -0.06 0.00 0.37 0.00 0.00 40.66 42.22 2npf h LEU 820 CO -0.17 0.08 0.65 0.00 -0.34 0.00 0.00 178.44 178.66 2npf h ALA 821 N -0.17 1.35 -0.32 1.25 0.00 0.95 -1.60 119.26 120.72 2npf h ALA 821 Ca -0.04 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 2npf h ALA 821 Cb 0.50 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2npf h ALA 821 CO 0.06 0.53 -0.01 0.00 0.00 0.00 0.00 179.25 179.83 2npf h ALA 822 N 1.42 0.43 -0.25 0.00 0.00 -0.97 -1.27 119.26 118.62 2npf h ALA 822 Ca 0.41 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 2npf h ALA 822 Cb 0.04 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2npf h ALA 822 CO -0.14 0.19 0.15 0.00 0.00 0.00 0.00 179.25 179.45 2npf h ARG 823 N 0.36 0.33 -0.16 0.00 3.08 -0.93 -0.90 114.38 116.16 2npf h ARG 823 Ca 0.09 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.11 2npf h ARG 823 Cb 0.46 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.43 2npf h ARG 823 CO 0.02 0.27 0.10 -0.22 -1.07 0.00 0.00 179.97 179.07 2npf h LYS 824 N 0.30 0.20 -0.79 0.04 1.63 -1.27 -0.70 116.57 115.99 2npf h LYS 824 Ca 0.09 -0.01 0.11 0.00 -0.85 0.00 0.00 60.65 59.99 2npf h LYS 824 Cb 0.02 -0.05 -0.05 0.00 -0.60 0.00 0.00 32.23 31.55 2npf h LYS 824 CO -0.02 0.13 0.51 -0.09 -3.45 0.00 0.00 179.45 176.54 2npf h ARG 825 N 0.21 0.64 0.00 1.90 2.43 -0.93 -0.47 114.38 118.15 2npf h ARG 825 Ca 0.06 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 2npf h ARG 825 Cb -0.01 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.39 2npf h ARG 825 CO -0.02 0.42 -0.22 0.72 -1.51 0.00 0.00 179.97 179.36 2npf n HIS 826 N -4.51 0.07 -2.39 2.20 8.25 -0.37 -4.94 115.22 113.54 2npf n HIS 826 Ca 0.14 0.02 -0.04 0.00 -0.26 0.00 0.00 57.72 57.58 2npf n HIS 826 Cb 0.38 -0.43 0.01 0.00 1.12 0.00 0.00 29.99 31.06 2npf n HIS 826 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2npf n GLY 827 N 1.48 0.46 3.90 -1.41 0.00 -0.19 -5.05 105.19 104.39 2npf n GLY 827 Ca 0.06 -0.62 -0.20 0.00 0.00 0.00 0.00 46.02 45.26 2npf n GLY 827 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2npf s MET 828 N -4.73 2.88 0.52 1.61 -1.94 -0.56 -5.04 119.30 112.04 2npf s MET 828 Ca 0.05 -1.18 -0.22 0.00 -1.71 0.00 0.00 55.69 52.63 2npf s MET 828 Cb -0.02 -2.60 -0.06 0.00 2.01 0.00 0.00 34.83 34.15 2npf s MET 828 CO 0.07 0.11 1.27 1.17 -0.01 0.00 0.00 175.02 177.63 2npf n LYS 829 N -1.45 1.64 0.18 2.03 3.00 -1.26 -4.52 118.16 117.79 2npf n LYS 829 Ca -0.02 0.60 0.04 0.00 -0.00 0.00 0.00 58.31 58.93 2npf n LYS 829 Cb 0.59 -2.46 0.31 0.00 0.00 0.00 0.00 35.03 33.47 2npf n LYS 829 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 2npf h GLU 830 N 1.48 0.00 -5.91 1.64 5.08 -1.95 -3.44 114.58 111.48 2npf h GLU 830 Ca -0.50 0.00 -0.60 0.00 -1.00 0.00 0.00 59.36 57.26 2npf h GLU 830 Cb 1.31 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.50 2npf h GLU 830 CO 0.57 0.42 -0.21 -1.83 -1.00 0.00 0.00 179.01 176.96 2npf s GLU 831 N -3.65 4.00 -0.35 2.33 -1.05 -1.26 -4.88 118.70 113.84 2npf s GLU 831 Ca -0.00 0.37 -0.28 0.00 -0.15 0.00 0.00 54.97 54.91 2npf s GLU 831 Cb 0.12 -3.27 0.02 0.00 -0.44 0.00 0.00 34.13 30.55 2npf s GLU 831 CO 0.70 0.57 1.02 0.08 0.95 0.00 0.00 175.26 178.58 2npf s VAL 832 N -0.66 4.51 -0.08 1.83 1.01 -1.26 -4.98 120.40 120.77 2npf s VAL 832 Ca 0.23 1.48 -0.38 0.00 0.00 0.00 0.00 61.98 63.32 2npf s VAL 832 Cb -0.16 -4.40 -0.16 0.00 0.00 0.00 0.00 36.38 31.67 2npf s VAL 832 CO 0.12 -0.54 1.57 -2.65 0.00 0.00 0.00 175.10 173.59 2npf n PRO 833 N 6.91 1.29 -1.35 2.72 -0.02 -1.26 -4.93 135.00 138.36 2npf n PRO 833 Ca 0.10 0.47 -0.29 0.00 -2.02 0.00 0.00 63.50 61.76 2npf n PRO 833 Cb 0.48 -2.15 0.14 0.00 -0.02 0.00 0.00 33.50 31.94 2npf n PRO 833 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 2npf s GLY 834 N 2.12 1.59 0.47 -1.23 0.00 -1.26 -4.91 107.32 104.09 2npf s GLY 834 Ca 0.91 -0.29 0.22 0.00 0.00 0.00 0.00 44.72 45.55 2npf s GLY 834 CO 0.55 0.24 1.90 0.11 0.00 0.00 0.00 173.10 175.89 2npf h TRP 835 N -1.55 0.32 -0.99 1.90 5.08 -1.91 -1.85 115.95 116.95 2npf h TRP 835 Ca -0.51 0.01 0.13 0.00 1.08 0.00 0.00 58.89 59.60 2npf h TRP 835 Cb 1.31 -0.10 -0.09 0.00 -3.00 0.00 0.00 29.16 27.28 2npf h TRP 835 CO 0.36 0.09 0.62 1.96 -1.28 0.00 0.00 178.44 180.19 2npf h GLN 836 N 0.25 0.92 -0.05 0.12 7.50 -1.91 0.58 115.11 122.52 2npf h GLN 836 Ca 0.41 -0.06 0.02 0.00 0.50 0.00 0.00 58.65 59.52 2npf h GLN 836 Cb 1.22 -0.21 -0.00 0.00 0.05 0.00 0.00 27.48 28.54 2npf h GLN 836 CO -0.10 0.61 0.39 1.49 -1.50 0.00 0.00 178.83 179.72 2npf h GLU 837 N 0.95 0.00 0.00 1.46 4.57 -1.68 -0.30 114.58 119.58 2npf h GLU 837 Ca 0.51 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.69 2npf h GLU 837 Cb 0.55 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.14 2npf h GLU 837 CO -0.28 0.00 -1.05 0.66 -1.18 0.00 0.00 179.01 177.15 2npf n TYR 838 N -2.97 0.00 -2.59 0.92 4.02 0.06 -5.00 117.16 111.60 2npf n TYR 838 Ca -0.01 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.46 2npf n TYR 838 Cb 0.45 -0.11 -0.03 0.00 -0.02 0.00 0.00 39.34 39.62 2npf n TYR 838 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 176.86 175.38 2npf s TYR 839 N -2.25 3.53 -0.66 -0.72 5.04 -0.12 -4.60 117.35 117.58 2npf s TYR 839 Ca -0.01 1.51 -0.07 0.00 -2.44 0.00 0.00 57.07 56.06 2npf s TYR 839 Cb 0.04 -3.25 0.17 0.00 0.35 0.00 0.00 41.96 39.27 2npf s TYR 839 CO 0.27 -0.57 0.51 -0.51 -1.34 0.00 0.00 175.55 173.91 2npf s ASP 840 N 1.07 5.74 0.04 4.32 1.11 0.11 -4.90 116.67 124.16 2npf s ASP 840 Ca 0.54 -2.66 -0.26 0.00 0.18 0.00 0.00 52.55 50.36 2npf s ASP 840 Cb -0.24 -1.98 -0.14 0.00 1.07 0.00 0.00 42.92 41.64 2npf s ASP 840 CO 0.27 -0.48 0.64 0.29 1.18 0.00 0.00 175.17 177.07 2npf n LYS 841 N 3.85 0.00 0.00 8.23 4.76 -1.26 -4.45 118.16 129.29 2npf n LYS 841 Ca 0.07 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.51 2npf n LYS 841 Cb 0.41 -0.96 0.00 0.00 -1.84 0.00 0.00 35.03 32.64 2npf n LYS 841 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31