#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cwm n LYS 25 N 0.00 0.08 0.00 1.20 4.81 -1.26 -1.52 118.16 121.47 3cwm n LYS 25 Ca 0.00 0.41 0.12 0.00 -0.87 0.00 0.00 58.31 57.96 3cwm n LYS 25 Cb 0.00 -1.68 0.08 0.00 0.02 0.00 0.00 35.03 33.45 3cwm n LYS 25 CO 0.00 0.00 0.00 0.44 1.17 0.00 0.00 177.40 179.01 3cwm n ILE 26 N -1.84 0.00 -0.16 3.15 -5.35 -1.26 -4.60 119.36 109.30 3cwm n ILE 26 Ca 0.02 -0.33 -0.03 0.00 -0.27 0.00 0.00 62.75 62.14 3cwm n ILE 26 Cb 0.14 1.23 0.06 0.00 -1.74 0.00 0.00 39.64 39.33 3cwm n ILE 26 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 3cwm h THR 27 N 3.07 0.79 -0.42 7.28 2.02 -1.59 -0.95 112.91 123.13 3cwm h THR 27 Ca 0.00 -0.10 0.07 0.00 0.77 0.00 0.00 66.41 67.14 3cwm h THR 27 Cb 0.80 0.46 -0.06 0.00 -1.74 0.00 0.00 68.15 67.62 3cwm h THR 27 CO 0.00 0.06 0.08 -0.65 0.37 0.00 0.00 175.52 175.37 3cwm h PRO 28 N 0.30 0.20 -0.45 6.66 0.11 -1.81 0.14 132.00 137.15 3cwm h PRO 28 Ca 0.24 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.34 3cwm h PRO 28 Cb 0.28 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 31.32 3cwm h PRO 28 CO -0.27 0.13 0.28 -0.91 -0.21 0.00 0.00 178.00 177.03 3cwm h ASN 29 N 0.21 0.53 -0.64 -2.05 4.21 -1.73 -0.29 115.58 115.83 3cwm h ASN 29 Ca 0.20 -0.04 0.09 0.00 1.21 0.00 0.00 56.30 57.77 3cwm h ASN 29 Cb 0.25 -0.13 -0.07 0.00 -1.12 0.00 0.00 38.32 37.25 3cwm h ASN 29 CO -0.27 0.42 0.27 -0.07 -1.29 0.00 0.00 177.43 176.49 3cwm h LEU 30 N 0.61 0.31 -0.63 1.61 3.38 -0.82 -0.31 115.31 119.45 3cwm h LEU 30 Ca 0.16 0.07 -0.06 0.00 0.09 0.00 0.00 57.88 58.15 3cwm h LEU 30 Cb -0.03 0.03 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 3cwm h LEU 30 CO -0.03 0.18 0.17 0.00 0.09 0.00 0.00 178.44 178.84 3cwm h ALA 31 N 1.42 0.83 -0.38 1.53 0.00 -0.45 -0.46 119.26 121.74 3cwm h ALA 31 Ca 0.32 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 3cwm h ALA 31 Cb 0.38 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 3cwm h ALA 31 CO -0.29 0.53 0.02 0.93 0.00 0.00 0.00 179.25 180.43 3cwm h GLU 32 N 0.92 0.60 -0.32 0.00 4.39 -0.60 -2.31 114.58 117.26 3cwm h GLU 32 Ca 0.20 -0.13 -0.08 0.00 0.34 0.00 0.00 59.36 59.69 3cwm h GLU 32 Cb 0.33 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.89 3cwm h GLU 32 CO -0.00 0.61 -0.10 0.35 -1.16 0.00 0.00 179.01 178.72 3cwm h PHE 33 N 0.58 0.72 -0.41 4.33 3.57 -0.75 -0.34 116.94 124.64 3cwm h PHE 33 Ca 0.12 -0.16 0.08 0.00 3.53 0.00 0.00 57.97 61.54 3cwm h PHE 33 Cb 0.34 -0.17 -0.07 0.00 2.79 0.00 0.00 35.95 38.84 3cwm h PHE 33 CO 0.01 0.82 -0.02 0.00 -2.23 0.00 0.00 178.31 176.90 3cwm h ALA 34 N 0.79 0.36 -0.14 2.41 0.00 -0.71 -0.45 119.26 121.53 3cwm h ALA 34 Ca 0.08 0.13 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 3cwm h ALA 34 Cb 0.60 0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 3cwm h ALA 34 CO 0.04 -0.40 -0.09 0.74 0.00 0.00 0.00 179.25 179.54 3cwm h PHE 35 N 0.09 0.35 -0.56 0.00 0.04 -1.33 -0.02 116.94 115.50 3cwm h PHE 35 Ca 0.20 -0.09 0.10 0.00 2.80 0.00 0.00 57.97 60.98 3cwm h PHE 35 Cb 0.30 -0.08 -0.08 0.00 2.20 0.00 0.00 35.95 38.29 3cwm h PHE 35 CO -0.29 0.66 0.11 0.77 -0.60 0.00 0.00 178.31 178.96 3cwm h SER 36 N -0.06 -0.01 -0.38 2.17 0.02 -0.81 0.42 113.55 114.91 3cwm h SER 36 Ca 0.03 0.10 -0.11 0.00 -0.84 0.00 0.00 61.79 60.98 3cwm h SER 36 Cb 0.58 0.15 -0.01 0.00 0.14 0.00 0.00 62.40 63.25 3cwm h SER 36 CO 0.02 0.01 -0.18 0.25 -1.14 0.00 0.00 176.83 175.80 3cwm h LEU 37 N 0.25 0.81 -0.13 5.07 5.85 -1.02 -2.20 115.31 123.93 3cwm h LEU 37 Ca 0.29 -0.40 -0.01 0.00 0.84 0.00 0.00 57.88 58.60 3cwm h LEU 37 Cb 0.42 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 3cwm h LEU 37 CO -0.38 1.03 0.04 0.22 -0.34 0.00 0.00 178.44 179.01 3cwm h TYR 38 N 0.58 0.22 -0.90 1.25 3.20 -0.15 -0.82 116.97 120.35 3cwm h TYR 38 Ca 0.08 -0.03 0.03 0.00 3.14 0.00 0.00 58.73 61.96 3cwm h TYR 38 Cb 0.72 -0.06 -0.05 0.00 1.54 0.00 0.00 36.73 38.88 3cwm h TYR 38 CO 0.06 0.36 0.59 0.00 -1.64 0.00 0.00 178.16 177.53 3cwm h ARG 39 N 0.02 1.10 0.38 1.82 3.08 -0.22 0.41 114.38 120.97 3cwm h ARG 39 Ca 0.04 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.02 3cwm h ARG 39 Cb 0.25 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 3cwm h ARG 39 CO -0.00 0.73 -0.26 0.37 -1.07 0.00 0.00 179.97 179.74 3cwm h GLN 40 N 1.13 -0.60 -0.97 0.04 5.75 -1.18 -1.59 115.11 117.70 3cwm h GLN 40 Ca 0.36 0.04 -0.00 0.00 -0.15 0.00 0.00 58.65 58.90 3cwm h GLN 40 Cb 0.02 0.14 -0.05 0.00 1.07 0.00 0.00 27.48 28.65 3cwm h GLN 40 CO -0.11 -0.40 0.60 -0.07 -2.65 0.00 0.00 178.83 176.21 3cwm h LEU 41 N -0.62 1.14 -0.21 -2.39 3.38 -0.61 -0.97 115.31 115.03 3cwm h LEU 41 Ca -0.04 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.88 3cwm h LEU 41 Cb 0.52 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 40.99 3cwm h LEU 41 CO 0.02 0.86 0.00 0.00 0.09 0.00 0.00 178.44 179.41 3cwm n ALA 42 N -2.39 1.83 -0.04 1.53 0.00 0.14 -2.17 120.51 119.42 3cwm n ALA 42 Ca 0.11 -0.01 -0.21 0.00 0.00 0.00 0.00 53.44 53.32 3cwm n ALA 42 Cb 0.04 -1.34 -0.13 0.00 0.00 0.00 0.00 19.45 18.02 3cwm n ALA 42 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3cwm h HIS 43 N 0.00 0.28 0.32 0.00 -0.00 -0.58 -3.40 115.15 111.77 3cwm h HIS 43 Ca 0.00 -0.20 -0.01 0.00 -0.00 0.00 0.00 60.37 60.16 3cwm h HIS 43 Cb 0.38 -0.01 -0.02 0.00 -0.00 0.00 0.00 27.41 27.75 3cwm h HIS 43 CO 0.00 1.58 -0.41 1.96 -0.00 0.00 0.00 177.93 181.06 3cwm h GLN 44 N -0.48 -0.72 -4.92 5.26 4.20 -0.89 -3.43 115.11 114.14 3cwm h GLN 44 Ca -0.35 0.05 -0.44 0.00 0.06 0.00 0.00 58.65 57.97 3cwm h GLN 44 Cb 1.65 0.16 -0.29 0.00 0.30 0.00 0.00 27.48 29.30 3cwm h GLN 44 CO -0.04 -0.48 -0.79 0.45 -0.67 0.00 0.00 178.83 177.30 3cwm s SER 45 N -3.99 1.34 0.00 1.46 0.15 -0.92 -5.01 113.70 106.73 3cwm s SER 45 Ca -0.14 -0.21 0.11 0.00 0.70 0.00 0.00 55.95 56.42 3cwm s SER 45 Cb 0.04 -0.21 0.17 0.00 -1.71 0.00 0.00 66.02 64.31 3cwm s SER 45 CO 0.47 0.12 1.00 0.59 1.20 0.00 0.00 173.24 176.63 3cwm n ASN 46 N 2.92 2.29 -0.39 5.45 4.13 -1.26 -4.41 115.26 123.99 3cwm n ASN 46 Ca -0.15 -1.65 0.05 0.00 1.68 0.00 0.00 54.58 54.50 3cwm n ASN 46 Cb 0.56 -0.08 0.05 0.00 -1.54 0.00 0.00 39.78 38.77 3cwm n ASN 46 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 3cwm n SER 47 N 0.60 1.92 -4.35 6.41 7.64 -1.26 -5.01 113.62 119.57 3cwm n SER 47 Ca 0.08 -1.48 -0.31 0.00 1.01 0.00 0.00 58.87 58.18 3cwm n SER 47 Cb 0.33 -0.03 -0.15 0.00 -1.01 0.00 0.00 64.21 63.36 3cwm n SER 47 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3cwm s THR 48 N -0.80 2.26 0.34 0.44 -4.23 -1.26 -4.91 115.64 107.47 3cwm s THR 48 Ca 0.12 -1.20 -0.27 0.00 -1.18 0.00 0.00 61.69 59.17 3cwm s THR 48 Cb 0.08 -1.85 -0.13 0.00 1.34 0.00 0.00 72.50 71.94 3cwm s THR 48 CO 0.12 0.47 1.03 0.59 -0.54 0.00 0.00 174.62 176.28 3cwm n ASN 49 N 2.06 1.40 -4.22 3.99 3.02 -1.26 -4.77 115.26 115.48 3cwm n ASN 49 Ca -0.16 1.14 -0.31 0.00 -0.03 0.00 0.00 54.58 55.21 3cwm n ASN 49 Cb 0.52 -1.32 -0.17 0.00 -0.61 0.00 0.00 39.78 38.19 3cwm n ASN 49 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3cwm s ILE 50 N -1.14 2.01 -0.23 2.41 1.01 -0.46 -4.95 121.20 119.85 3cwm s ILE 50 Ca 0.59 -1.00 -0.09 0.00 0.00 0.00 0.00 60.65 60.15 3cwm s ILE 50 Cb -0.64 -1.73 0.10 0.00 0.01 0.00 0.00 42.46 40.20 3cwm s ILE 50 CO 0.59 0.55 0.50 0.12 0.00 0.00 0.00 174.94 176.71 3cwm s PHE 51 N 0.23 -0.96 0.14 3.97 5.36 -1.26 -0.44 117.98 125.02 3cwm s PHE 51 Ca -0.15 1.78 -0.15 0.00 -0.96 0.00 0.00 56.93 57.44 3cwm s PHE 51 Cb -0.17 0.47 0.03 0.00 -0.34 0.00 0.00 43.02 43.01 3cwm s PHE 51 CO 0.07 -0.52 0.40 -0.59 -1.46 0.00 0.00 175.22 173.12 3cwm s PHE 52 N 2.50 -0.14 -0.37 10.12 -0.71 -0.74 -3.64 117.98 125.00 3cwm s PHE 52 Ca -0.04 -0.19 -0.13 0.00 -1.04 0.00 0.00 56.93 55.52 3cwm s PHE 52 Cb -0.11 0.25 0.01 0.00 -1.21 0.00 0.00 43.02 41.95 3cwm s PHE 52 CO -0.15 -0.73 0.26 0.45 -1.34 0.00 0.00 175.22 173.71 3cwm s SER 53 N -2.83 6.02 0.14 1.98 0.15 -1.26 -1.55 113.70 116.35 3cwm s SER 53 Ca 0.05 -0.71 -0.16 0.00 0.70 0.00 0.00 55.95 55.83 3cwm s SER 53 Cb 0.02 -2.13 0.00 0.00 -1.71 0.00 0.00 66.02 62.20 3cwm s SER 53 CO -0.10 -0.35 1.74 -0.65 1.20 0.00 0.00 173.24 175.08 3cwm h PRO 54 N 8.54 0.57 -0.04 5.44 0.11 -1.70 -2.62 132.00 142.30 3cwm h PRO 54 Ca -0.29 -0.07 0.02 0.00 0.11 0.00 0.00 66.00 65.77 3cwm h PRO 54 Cb 1.13 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 32.12 3cwm h PRO 54 CO 0.68 0.47 -0.06 0.28 -0.21 0.00 0.00 178.00 179.16 3cwm h VAL 55 N 0.52 0.82 -0.94 3.15 2.07 -1.74 -1.75 116.25 118.38 3cwm h VAL 55 Ca 0.14 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.69 3cwm h VAL 55 Cb 0.08 0.82 -0.05 0.00 -1.52 0.00 0.00 31.29 30.62 3cwm h VAL 55 CO -0.02 0.00 0.62 -1.28 0.02 0.00 0.00 177.57 176.90 3cwm h SER 56 N -0.09 1.04 0.01 0.57 0.87 -1.83 0.59 113.55 114.70 3cwm h SER 56 Ca 0.04 -0.01 -0.14 0.00 -1.23 0.00 0.00 61.79 60.44 3cwm h SER 56 Cb 0.15 -0.24 0.01 0.00 -0.44 0.00 0.00 62.40 61.88 3cwm h SER 56 CO -0.10 0.72 -0.57 0.40 -0.53 0.00 0.00 176.83 176.76 3cwm h ILE 57 N 1.21 1.46 0.22 2.23 2.04 -1.43 -2.90 117.51 120.34 3cwm h ILE 57 Ca 0.37 -2.11 -0.01 0.00 1.00 0.00 0.00 64.86 64.10 3cwm h ILE 57 Cb -0.04 2.69 0.00 0.00 -0.74 0.00 0.00 36.82 38.73 3cwm h ILE 57 CO -0.11 0.61 -0.11 0.00 0.00 0.00 0.00 178.15 178.54 3cwm h ALA 58 N 0.28 -0.29 -0.82 1.87 0.00 -1.14 -1.63 119.26 117.53 3cwm h ALA 58 Ca -0.08 -0.12 0.19 0.00 0.00 0.00 0.00 54.91 54.91 3cwm h ALA 58 Cb 1.30 0.11 -0.12 0.00 0.00 0.00 0.00 17.79 19.09 3cwm h ALA 58 CO 0.11 -0.60 0.28 1.15 0.00 0.00 0.00 179.25 180.20 3cwm h THR 59 N -0.43 0.50 -0.51 0.00 2.02 -1.02 0.48 112.91 113.94 3cwm h THR 59 Ca -0.03 -0.12 -0.13 0.00 0.77 0.00 0.00 66.41 66.91 3cwm h THR 59 Cb 0.33 0.13 -0.02 0.00 -1.74 0.00 0.00 68.15 66.85 3cwm h THR 59 CO 0.05 0.06 -0.17 0.00 0.37 0.00 0.00 175.52 175.83 3cwm h ALA 60 N 1.66 0.72 0.00 6.16 0.00 -1.25 -1.99 119.26 124.56 3cwm h ALA 60 Ca 0.49 -0.38 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 3cwm h ALA 60 Cb 0.87 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 3cwm h ALA 60 CO -0.52 0.68 -0.58 0.74 0.00 0.00 0.00 179.25 179.56 3cwm h PHE 61 N 0.89 0.00 -0.34 0.00 -1.00 -0.27 -1.41 116.94 114.81 3cwm h PHE 61 Ca 0.12 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.91 3cwm h PHE 61 Cb 0.75 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.29 3cwm h PHE 61 CO 0.05 0.36 0.22 0.00 -1.61 0.00 0.00 178.31 177.33 3cwm h ALA 62 N 1.64 0.43 -0.09 2.45 0.00 -0.03 -1.47 119.26 122.18 3cwm h ALA 62 Ca -0.03 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 3cwm h ALA 62 Cb 1.30 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 3cwm h ALA 62 CO 0.04 -0.11 -0.01 1.98 0.00 0.00 0.00 179.25 181.15 3cwm h MET 63 N 0.46 0.17 -0.90 0.00 1.85 -1.11 -2.47 114.93 112.92 3cwm h MET 63 Ca 0.12 -0.06 0.16 0.00 -0.61 0.00 0.00 59.70 59.31 3cwm h MET 63 Cb -0.05 -0.01 -0.07 0.00 0.43 0.00 0.00 31.60 31.89 3cwm h MET 63 CO -0.03 0.46 0.58 1.25 -0.40 0.00 0.00 176.91 178.77 3cwm h LEU 64 N -0.14 0.62 -2.75 3.39 5.85 -1.27 -1.29 115.31 119.72 3cwm h LEU 64 Ca 0.02 0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.79 3cwm h LEU 64 Cb 0.39 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.34 3cwm h LEU 64 CO 0.01 0.29 -0.00 0.77 -0.34 0.00 0.00 178.44 179.17 3cwm h SER 65 N 0.65 0.00 0.33 1.25 4.64 -0.77 -1.25 113.55 118.39 3cwm h SER 65 Ca 0.47 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.76 3cwm h SER 65 Cb 0.82 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.91 3cwm h SER 65 CO -0.22 0.00 -0.12 -0.07 -0.87 0.00 0.00 176.83 175.55 3cwm h LEU 66 N 0.00 0.00 -2.92 5.97 3.38 -1.23 -2.51 115.31 118.00 3cwm h LEU 66 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3cwm h LEU 66 Cb 0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.81 3cwm h LEU 66 CO 0.00 0.12 0.00 0.61 0.09 0.00 0.00 178.44 179.26 3cwm n GLY 67 N -0.75 2.52 3.62 0.83 0.00 -0.47 -4.84 105.19 106.09 3cwm n GLY 67 Ca -0.02 -0.79 -0.27 0.00 0.00 0.00 0.00 46.02 44.93 3cwm n GLY 67 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3cwm s THR 68 N -1.85 2.07 0.07 2.61 -4.23 -0.94 -2.44 115.64 110.92 3cwm s THR 68 Ca 0.48 -2.01 -0.03 0.00 -1.18 0.00 0.00 61.69 58.94 3cwm s THR 68 Cb 0.31 -2.94 -0.03 0.00 1.34 0.00 0.00 72.50 71.18 3cwm s THR 68 CO 0.23 -0.03 0.04 -0.54 -0.54 0.00 0.00 174.62 173.78 3cwm s LYS 69 N -3.71 0.70 4.51 3.99 1.02 -1.15 -4.75 119.74 120.35 3cwm s LYS 69 Ca 0.35 -1.15 0.00 0.00 0.02 0.00 0.00 55.97 55.19 3cwm s LYS 69 Cb 0.08 0.25 0.00 0.00 -0.52 0.00 0.00 37.83 37.65 3cwm s LYS 69 CO 0.18 -0.17 0.00 0.00 -0.92 0.00 0.00 175.35 174.44 3cwm n ALA 70 N 0.05 0.00 -0.20 5.17 0.00 -1.26 -2.26 120.51 122.01 3cwm n ALA 70 Ca -0.14 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.28 3cwm n ALA 70 Cb 0.62 0.00 0.08 0.00 0.00 0.00 0.00 19.45 20.15 3cwm n ALA 70 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3cwm h ASP 71 N 0.00 0.38 -0.19 0.00 3.32 -1.99 0.11 116.42 118.06 3cwm h ASP 71 Ca 0.00 0.04 0.05 0.00 0.02 0.00 0.00 57.03 57.14 3cwm h ASP 71 Cb 0.00 -0.02 -0.05 0.00 0.22 0.00 0.00 39.33 39.48 3cwm h ASP 71 CO 0.00 0.25 -0.13 0.74 -1.72 0.00 0.00 179.24 178.38 3cwm h THR 72 N 0.53 0.62 0.52 0.35 2.02 -1.83 0.22 112.91 115.33 3cwm h THR 72 Ca 0.27 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.43 3cwm h THR 72 Cb 0.22 0.62 0.00 0.00 -1.74 0.00 0.00 68.15 67.25 3cwm h THR 72 CO -0.21 0.00 -0.26 -0.74 0.37 0.00 0.00 175.52 174.68 3cwm h HIS 73 N -0.13 -0.67 -0.39 3.16 -0.00 -0.95 -3.15 115.15 113.01 3cwm h HIS 73 Ca 0.11 -0.01 -0.04 0.00 -0.00 0.00 0.00 60.37 60.43 3cwm h HIS 73 Cb 0.29 0.23 -0.02 0.00 -0.00 0.00 0.00 27.41 27.91 3cwm h HIS 73 CO -0.28 -0.41 0.08 -0.44 -0.00 0.00 0.00 177.93 176.88 3cwm h ASP 74 N -0.71 0.54 -0.85 3.26 5.19 -0.62 -2.51 116.42 120.72 3cwm h ASP 74 Ca -0.07 -0.08 -0.01 0.00 -0.62 0.00 0.00 57.03 56.25 3cwm h ASP 74 Cb 0.55 -0.14 -0.04 0.00 0.18 0.00 0.00 39.33 39.88 3cwm h ASP 74 CO 0.11 0.55 0.50 -0.08 -3.12 0.00 0.00 179.24 177.20 3cwm h GLU 75 N 0.57 1.17 -0.01 3.56 4.81 -0.94 -0.69 114.58 123.05 3cwm h GLU 75 Ca 0.13 -0.11 -0.00 0.00 -0.13 0.00 0.00 59.36 59.25 3cwm h GLU 75 Cb 0.24 -0.24 -0.00 0.00 0.63 0.00 0.00 28.75 29.38 3cwm h GLU 75 CO -0.00 0.83 0.00 0.82 -0.73 0.00 0.00 179.01 179.93 3cwm h ILE 76 N 1.18 1.24 -0.08 2.32 2.04 -1.42 0.63 117.51 123.43 3cwm h ILE 76 Ca 0.31 -0.72 -0.13 0.00 1.00 0.00 0.00 64.86 65.32 3cwm h ILE 76 Cb -0.03 1.71 -0.01 0.00 -0.74 0.00 0.00 36.82 37.75 3cwm h ILE 76 CO -0.06 0.19 -0.53 -0.07 0.00 0.00 0.00 178.15 177.68 3cwm h LEU 77 N -0.28 0.25 -0.67 1.44 3.38 -1.39 -0.11 115.31 117.93 3cwm h LEU 77 Ca 0.00 -0.13 -0.13 0.00 0.09 0.00 0.00 57.88 57.71 3cwm h LEU 77 Cb 0.31 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 3cwm h LEU 77 CO 0.00 0.74 -0.36 -0.33 0.09 0.00 0.00 178.44 178.57 3cwm h GLU 78 N 0.18 0.63 0.00 1.13 4.39 -1.15 -0.61 114.58 119.15 3cwm h GLU 78 Ca 0.00 -0.30 0.00 0.00 0.34 0.00 0.00 59.36 59.40 3cwm h GLU 78 Cb 0.99 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.64 3cwm h GLU 78 CO 0.08 0.89 0.00 0.78 -1.16 0.00 0.00 179.01 179.61 3cwm h GLY 79 N 1.01 0.00 -2.75 -3.84 0.00 -0.03 -1.15 103.07 96.32 3cwm h GLY 79 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.38 3cwm h GLY 79 CO 0.07 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.65 3cwm n LEU 80 N -2.82 4.23 -2.21 3.11 4.77 -0.13 -4.93 117.00 119.02 3cwm n LEU 80 Ca 0.01 -2.14 -0.13 0.00 -0.03 0.00 0.00 56.01 53.71 3cwm n LEU 80 Cb 0.25 -0.56 0.04 0.00 -2.33 0.00 0.00 43.42 40.83 3cwm n LEU 80 CO 0.24 0.64 0.14 0.59 -1.33 0.00 0.00 177.39 177.66 3cwm n ASN 81 N 0.76 -4.43 -4.54 -1.43 3.02 -0.43 -4.61 115.26 103.59 3cwm n ASN 81 Ca 0.21 -0.30 -0.34 0.00 -0.03 0.00 0.00 54.58 54.13 3cwm n ASN 81 Cb 0.83 -3.01 -0.12 0.00 -0.61 0.00 0.00 39.78 36.88 3cwm n ASN 81 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 3cwm s PHE 82 N -3.17 3.02 -0.50 3.10 0.08 -0.26 -4.69 117.98 115.55 3cwm s PHE 82 Ca 0.32 -0.15 -0.19 0.00 0.12 0.00 0.00 56.93 57.03 3cwm s PHE 82 Cb -0.14 -1.87 0.06 0.00 -0.57 0.00 0.00 43.02 40.49 3cwm s PHE 82 CO 0.40 0.13 0.64 1.21 -0.10 0.00 0.00 175.22 177.50 3cwm s ASN 83 N -0.11 6.23 0.00 1.36 2.47 -1.26 -3.87 114.94 119.76 3cwm s ASN 83 Ca 0.02 -0.86 0.21 0.00 0.42 0.00 0.00 52.86 52.65 3cwm s ASN 83 Cb -0.13 -2.30 1.17 0.00 -1.45 0.00 0.00 41.25 38.55 3cwm s ASN 83 CO 0.03 -0.90 1.67 0.18 -3.72 0.00 0.00 177.10 174.36 3cwm n LEU 84 N 6.23 0.00 -0.55 3.21 4.77 -1.26 -1.00 117.00 128.40 3cwm n LEU 84 Ca -0.06 0.15 0.12 0.00 -0.03 0.00 0.00 56.01 56.19 3cwm n LEU 84 Cb 0.46 -0.15 0.23 0.00 -2.33 0.00 0.00 43.42 41.63 3cwm n LEU 84 CO 0.54 -0.05 0.59 0.35 -1.33 0.00 0.00 177.39 177.50 3cwm n THR 85 N -1.15 0.00 -0.02 -5.08 -2.24 -1.26 -4.51 114.28 100.03 3cwm n THR 85 Ca 0.13 -0.28 -0.03 0.00 -2.27 0.00 0.00 64.05 61.60 3cwm n THR 85 Cb 0.12 0.94 -0.02 0.00 -2.10 0.00 0.00 70.33 69.28 3cwm n THR 85 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3cwm n GLU 86 N 0.20 0.08 -4.02 -0.78 1.02 -0.17 -5.03 120.64 111.94 3cwm n GLU 86 Ca 0.13 0.02 -0.35 0.00 -0.02 0.00 0.00 57.16 56.95 3cwm n GLU 86 Cb 0.45 -0.97 -0.13 0.00 -0.02 0.00 0.00 31.44 30.77 3cwm n GLU 86 CO 0.00 0.00 0.00 -1.50 1.18 0.00 0.00 177.13 176.81 3cwm s ILE 87 N -2.07 3.70 0.66 -3.67 2.07 -0.54 -5.10 121.20 116.25 3cwm s ILE 87 Ca -0.05 -0.39 -0.16 0.00 -1.41 0.00 0.00 60.65 58.64 3cwm s ILE 87 Cb 0.01 -2.68 -0.00 0.00 0.13 0.00 0.00 42.46 39.93 3cwm s ILE 87 CO 0.08 0.42 1.14 -2.16 -1.91 0.00 0.00 174.94 172.50 3cwm s PRO 88 N 1.21 2.74 0.36 3.50 0.04 -1.26 -4.57 135.00 137.01 3cwm s PRO 88 Ca 0.03 1.51 0.12 0.00 0.04 0.00 0.00 61.00 62.70 3cwm s PRO 88 Cb -0.14 -1.93 0.67 0.00 0.04 0.00 0.00 34.50 33.13 3cwm s PRO 88 CO 0.00 -1.32 1.80 0.93 0.04 0.00 0.00 177.00 178.45 3cwm h GLU 89 N 0.14 0.01 -0.29 4.56 5.08 -1.99 -2.85 114.58 119.24 3cwm h GLU 89 Ca -0.47 -0.00 0.04 0.00 -1.00 0.00 0.00 59.36 57.92 3cwm h GLU 89 Cb 1.26 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.48 3cwm h GLU 89 CO 0.53 0.41 0.07 0.00 -1.00 0.00 0.00 179.01 179.03 3cwm h ALA 90 N 1.59 0.31 0.01 3.43 0.00 -2.00 -1.82 119.26 120.78 3cwm h ALA 90 Ca -0.00 0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.97 3cwm h ALA 90 Cb 0.72 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 3cwm h ALA 90 CO 0.05 -0.34 -0.14 1.96 0.00 0.00 0.00 179.25 180.78 3cwm h GLN 91 N 0.19 -0.23 -0.53 0.00 1.08 -1.90 0.72 115.11 114.44 3cwm h GLN 91 Ca 0.13 0.02 0.08 0.00 -1.45 0.00 0.00 58.65 57.43 3cwm h GLN 91 Cb 0.12 0.05 -0.10 0.00 -0.05 0.00 0.00 27.48 27.51 3cwm h GLN 91 CO -0.16 -0.16 -0.46 0.82 -0.95 0.00 0.00 178.83 177.93 3cwm h ILE 92 N -0.24 0.08 -0.41 2.54 2.04 -1.43 0.35 117.51 120.43 3cwm h ILE 92 Ca 0.05 0.00 -0.12 0.00 1.00 0.00 0.00 64.86 65.79 3cwm h ILE 92 Cb 0.30 0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 36.44 3cwm h ILE 92 CO -0.13 0.00 -0.20 0.45 0.00 0.00 0.00 178.15 178.26 3cwm h HIS 93 N -0.27 1.00 0.00 1.37 3.86 -1.06 -2.08 115.15 117.97 3cwm h HIS 93 Ca 0.15 -0.25 -0.03 0.00 -1.16 0.00 0.00 60.37 59.09 3cwm h HIS 93 Cb 0.57 -0.23 -0.00 0.00 1.06 0.00 0.00 27.41 28.81 3cwm h HIS 93 CO -0.70 1.03 -0.14 0.93 0.86 0.00 0.00 177.93 179.90 3cwm h GLU 94 N 0.68 0.00 0.09 2.45 5.08 -0.44 0.13 114.58 122.56 3cwm h GLU 94 Ca 0.09 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.45 3cwm h GLU 94 Cb 0.77 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.02 3cwm h GLU 94 CO 0.06 0.14 -0.04 0.78 -1.00 0.00 0.00 179.01 178.95 3cwm h GLY 95 N 0.55 -0.12 1.01 -3.84 0.00 0.15 -1.09 103.07 99.73 3cwm h GLY 95 Ca -0.00 0.05 -0.05 0.00 0.00 0.00 0.00 47.33 47.33 3cwm h GLY 95 CO 0.02 -0.04 0.18 0.74 0.00 0.00 0.00 176.54 177.43 3cwm h PHE 96 N -0.38 0.96 -0.22 5.60 0.04 -0.82 -2.11 116.94 120.01 3cwm h PHE 96 Ca -0.01 -0.10 0.03 0.00 2.80 0.00 0.00 57.97 60.69 3cwm h PHE 96 Cb 0.32 -0.28 -0.05 0.00 2.20 0.00 0.00 35.95 38.14 3cwm h PHE 96 CO 0.01 0.80 -0.38 1.96 -0.60 0.00 0.00 178.31 180.10 3cwm h GLN 97 N 0.85 -0.31 -0.88 1.51 7.50 -0.76 0.30 115.11 123.32 3cwm h GLN 97 Ca 0.19 0.02 0.17 0.00 0.50 0.00 0.00 58.65 59.54 3cwm h GLN 97 Cb 0.30 0.07 -0.10 0.00 0.05 0.00 0.00 27.48 27.79 3cwm h GLN 97 CO -0.00 -0.20 0.44 0.93 -1.50 0.00 0.00 178.83 178.49 3cwm h GLU 98 N -0.32 0.54 -0.34 1.46 4.39 -1.10 0.12 114.58 119.34 3cwm h GLU 98 Ca 0.04 -0.03 -0.16 0.00 0.34 0.00 0.00 59.36 59.55 3cwm h GLU 98 Cb 0.43 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.95 3cwm h GLU 98 CO -0.38 0.36 -0.41 1.25 -1.16 0.00 0.00 179.01 178.67 3cwm h LEU 99 N 0.56 0.91 -0.93 1.33 5.85 -0.88 -2.45 115.31 119.69 3cwm h LEU 99 Ca 0.50 -0.42 -0.11 0.00 0.84 0.00 0.00 57.88 58.69 3cwm h LEU 99 Cb 0.81 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.57 3cwm h LEU 99 CO -0.42 1.20 -0.53 -0.07 -0.34 0.00 0.00 178.44 178.28 3cwm h LEU 100 N 0.69 0.00 -0.26 2.25 3.38 0.60 -2.43 115.31 119.54 3cwm h LEU 100 Ca 0.05 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 3cwm h LEU 100 Cb 0.99 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.73 3cwm h LEU 100 CO 0.10 0.53 0.04 0.03 0.09 0.00 0.00 178.44 179.23 3cwm h ARG 101 N 0.00 0.43 0.00 1.13 3.08 -0.66 -2.45 114.38 115.91 3cwm h ARG 101 Ca -0.01 -0.11 0.00 0.00 0.07 0.00 0.00 59.98 59.93 3cwm h ARG 101 Cb 0.94 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.94 3cwm h ARG 101 CO 0.07 0.55 0.00 1.79 -1.07 0.00 0.00 179.97 181.31 3cwm h THR 102 N 0.24 0.00 0.15 2.04 1.35 -1.36 -3.26 112.91 112.08 3cwm h THR 102 Ca 0.08 -0.51 -0.33 0.00 -0.55 0.00 0.00 66.41 65.10 3cwm h THR 102 Cb 0.33 1.46 0.00 0.00 -1.73 0.00 0.00 68.15 68.20 3cwm h THR 102 CO 0.00 0.00 -1.70 -0.07 -0.25 0.00 0.00 175.52 173.50 3cwm h LEU 103 N 0.00 0.51 -4.63 3.87 3.38 -1.42 -3.38 115.31 113.63 3cwm h LEU 103 Ca 0.00 -0.91 -0.70 0.00 0.09 0.00 0.00 57.88 56.36 3cwm h LEU 103 Cb 0.69 -0.16 -0.26 0.00 0.09 0.00 0.00 40.66 41.02 3cwm h LEU 103 CO 0.00 1.76 0.91 0.59 0.09 0.00 0.00 178.44 181.79 3cwm n ASN 104 N -3.68 7.41 -4.77 -0.43 3.02 -0.93 -4.97 115.26 110.91 3cwm n ASN 104 Ca -0.26 -3.72 -0.38 0.00 -0.03 0.00 0.00 54.58 50.19 3cwm n ASN 104 Cb 1.02 -1.07 -0.05 0.00 -0.61 0.00 0.00 39.78 39.07 3cwm n ASN 104 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 3cwm s GLN 105 N -3.63 4.56 0.15 3.52 -0.21 -1.24 -4.97 119.66 117.83 3cwm s GLN 105 Ca 0.55 1.52 -0.16 0.00 0.02 0.00 0.00 55.36 57.28 3cwm s GLN 105 Cb 0.44 -2.93 0.00 0.00 1.00 0.00 0.00 33.01 31.53 3cwm s GLN 105 CO -0.28 0.22 1.79 -1.35 -2.12 0.00 0.00 175.29 173.55 3cwm h PRO 106 N 3.37 0.52 -1.69 2.91 0.11 -1.94 -3.18 132.00 132.10 3cwm h PRO 106 Ca -0.47 -0.04 -0.44 0.00 0.11 0.00 0.00 66.00 65.16 3cwm h PRO 106 Cb 1.20 -0.11 -0.17 0.00 0.11 0.00 0.00 31.00 32.03 3cwm h PRO 106 CO 0.65 0.38 0.46 -0.25 -0.21 0.00 0.00 178.00 179.03 3cwm n ASP 107 N -4.79 6.61 -4.48 -2.05 9.92 -1.26 -4.89 116.55 115.61 3cwm n ASP 107 Ca 0.00 -3.21 -0.43 0.00 -0.53 0.00 0.00 54.79 50.63 3cwm n ASP 107 Cb 0.04 -1.13 -0.10 0.00 -0.64 0.00 0.00 41.12 39.30 3cwm n ASP 107 CO 0.00 0.00 0.00 -0.55 0.13 0.00 0.00 177.20 176.78 3cwm s SER 108 N 0.05 6.14 0.00 -2.24 0.15 -1.21 -4.92 113.70 111.67 3cwm s SER 108 Ca 0.46 -0.74 0.08 0.00 0.70 0.00 0.00 55.95 56.46 3cwm s SER 108 Cb 0.33 -2.18 0.40 0.00 -1.71 0.00 0.00 66.02 62.86 3cwm s SER 108 CO -0.11 -0.47 1.14 0.00 1.20 0.00 0.00 173.24 175.00 3cwm n GLN 109 N 5.32 0.10 -2.38 5.44 6.02 -1.26 -4.73 117.38 125.90 3cwm n GLN 109 Ca -0.10 0.23 -0.43 0.00 -0.01 0.00 0.00 57.00 56.69 3cwm n GLN 109 Cb 0.47 -1.50 -0.02 0.00 1.02 0.00 0.00 30.24 30.21 3cwm n GLN 109 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 3cwm s LEU 110 N -2.63 4.14 -1.19 1.08 2.96 -1.26 -4.40 118.68 117.38 3cwm s LEU 110 Ca 0.07 1.66 -0.17 0.00 -0.22 0.00 0.00 54.13 55.48 3cwm s LEU 110 Cb 0.05 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 43.17 3cwm s LEU 110 CO 0.13 -0.84 2.13 1.67 -1.32 0.00 0.00 176.35 178.12 3cwm n GLN 111 N 6.80 2.34 -4.07 1.98 -0.06 -1.26 -4.87 117.38 118.24 3cwm n GLN 111 Ca 0.14 -2.28 -0.32 0.00 -2.00 0.00 0.00 57.00 52.54 3cwm n GLN 111 Cb 0.45 -3.12 -0.15 0.00 -4.06 0.00 0.00 30.24 23.36 3cwm n GLN 111 CO 0.00 0.00 0.00 -1.17 -0.20 0.00 0.00 177.06 175.69 3cwm s LEU 112 N 1.71 3.16 -0.57 1.69 2.96 -1.26 -3.40 118.68 122.97 3cwm s LEU 112 Ca 0.51 -1.21 -0.03 0.00 -0.22 0.00 0.00 54.13 53.18 3cwm s LEU 112 Cb 0.14 -1.54 0.15 0.00 0.50 0.00 0.00 46.19 45.44 3cwm s LEU 112 CO -0.01 -0.15 0.38 -0.89 -1.32 0.00 0.00 176.35 174.37 3cwm s THR 113 N 1.15 3.63 0.03 3.68 2.01 -0.82 -5.00 115.64 120.33 3cwm s THR 113 Ca -0.05 -2.71 0.06 0.00 0.31 0.00 0.00 61.69 59.29 3cwm s THR 113 Cb -0.18 -3.40 -0.03 0.00 0.01 0.00 0.00 72.50 68.90 3cwm s THR 113 CO -0.07 -0.83 -0.13 0.28 -0.69 0.00 0.00 174.62 173.18 3cwm s THR 114 N 0.27 3.17 -0.07 -0.82 -1.32 -1.26 -1.72 115.64 113.88 3cwm s THR 114 Ca 0.14 -1.02 -0.28 0.00 -1.21 0.00 0.00 61.69 59.32 3cwm s THR 114 Cb -0.21 -2.36 0.06 0.00 -1.51 0.00 0.00 72.50 68.48 3cwm s THR 114 CO -0.04 0.35 0.63 -0.83 -2.21 0.00 0.00 174.62 172.52 3cwm s GLY 115 N -1.47 -0.51 -0.13 6.08 0.00 -0.56 -5.00 107.32 105.72 3cwm s GLY 115 Ca 0.16 1.26 -0.00 0.00 0.00 0.00 0.00 44.72 46.14 3cwm s GLY 115 CO 0.07 0.93 -0.11 -1.31 0.00 0.00 0.00 173.10 172.67 3cwm s ASN 116 N -1.01 2.46 -0.22 1.64 0.01 -1.26 -1.52 114.94 115.04 3cwm s ASN 116 Ca -0.10 -0.40 -0.05 0.00 -0.71 0.00 0.00 52.86 51.59 3cwm s ASN 116 Cb -0.01 -1.03 -0.02 0.00 0.41 0.00 0.00 41.25 40.60 3cwm s ASN 116 CO 0.08 -0.08 0.01 -0.83 -1.51 0.00 0.00 177.10 174.76 3cwm s GLY 117 N 1.58 1.70 -0.20 0.66 0.00 0.68 -1.88 107.32 109.87 3cwm s GLY 117 Ca 0.05 -1.07 -0.06 0.00 0.00 0.00 0.00 44.72 43.64 3cwm s GLY 117 CO -0.10 0.36 0.02 1.08 0.00 0.00 0.00 173.10 174.47 3cwm s LEU 118 N 1.27 3.42 -0.22 0.66 1.43 0.08 -0.33 118.68 124.99 3cwm s LEU 118 Ca 0.04 -0.13 0.00 0.00 -1.03 0.00 0.00 54.13 53.01 3cwm s LEU 118 Cb -0.15 -1.87 0.06 0.00 0.03 0.00 0.00 46.19 44.26 3cwm s LEU 118 CO 0.01 0.09 -0.04 -0.36 0.23 0.00 0.00 176.35 176.28 3cwm s PHE 119 N 0.89 2.12 0.02 0.29 0.40 0.35 0.18 117.98 122.23 3cwm s PHE 119 Ca 0.02 -1.56 0.07 0.00 -0.60 0.00 0.00 56.93 54.86 3cwm s PHE 119 Cb -0.14 -1.47 -0.03 0.00 0.51 0.00 0.00 43.02 41.89 3cwm s PHE 119 CO 0.02 -0.74 -0.20 -0.51 0.70 0.00 0.00 175.22 174.50 3cwm s LEU 120 N 1.49 2.49 0.21 -0.37 1.02 -0.37 -0.23 118.68 122.91 3cwm s LEU 120 Ca -0.05 -0.42 -0.32 0.00 0.02 0.00 0.00 54.13 53.36 3cwm s LEU 120 Cb -0.18 -1.46 -0.13 0.00 0.02 0.00 0.00 46.19 44.44 3cwm s LEU 120 CO -0.07 0.28 1.64 -0.24 0.02 0.00 0.00 176.35 177.99 3cwm n SER 121 N 1.84 3.61 -4.76 2.29 2.88 0.96 -1.65 113.62 118.79 3cwm n SER 121 Ca -0.16 1.08 -0.40 0.00 -1.33 0.00 0.00 58.87 58.06 3cwm n SER 121 Cb 0.52 -1.52 -0.04 0.00 -0.75 0.00 0.00 64.21 62.42 3cwm n SER 121 CO 0.00 0.00 0.00 -1.83 -1.23 0.00 0.00 175.04 171.98 3cwm s GLU 122 N 0.77 4.55 0.00 -1.46 -1.05 -0.44 -3.39 118.70 117.68 3cwm s GLU 122 Ca 0.74 1.92 0.00 0.00 -0.15 0.00 0.00 54.97 57.48 3cwm s GLU 122 Cb -0.57 -3.16 0.00 0.00 -0.44 0.00 0.00 34.13 29.96 3cwm s GLU 122 CO 0.37 0.08 0.00 0.41 0.95 0.00 0.00 175.26 177.07 3cwm n GLY 123 N 1.18 2.04 3.71 -3.83 0.00 -1.26 -4.95 105.19 102.08 3cwm n GLY 123 Ca -0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3cwm n GLY 123 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3cwm s LEU 124 N 0.00 4.30 -0.46 0.99 1.43 -1.22 -5.02 118.68 118.71 3cwm s LEU 124 Ca 0.00 1.31 -0.28 0.00 -1.03 0.00 0.00 54.13 54.12 3cwm s LEU 124 Cb 0.00 -3.24 0.01 0.00 0.03 0.00 0.00 46.19 42.99 3cwm s LEU 124 CO 0.00 -0.21 1.43 -0.75 0.23 0.00 0.00 176.35 177.05 3cwm s LYS 125 N 1.10 3.48 0.01 1.70 2.36 -1.26 -5.00 119.74 122.13 3cwm s LYS 125 Ca 0.41 0.80 -0.18 0.00 -2.55 0.00 0.00 55.97 54.46 3cwm s LYS 125 Cb -0.18 -4.06 -0.06 0.00 -1.05 0.00 0.00 37.83 32.48 3cwm s LYS 125 CO 0.20 -1.70 0.51 -0.51 1.55 0.00 0.00 175.35 175.40 3cwm s LEU 126 N 5.71 4.45 0.10 5.43 1.43 -1.26 -4.30 118.68 130.23 3cwm s LEU 126 Ca 0.59 1.09 -0.31 0.00 -1.03 0.00 0.00 54.13 54.47 3cwm s LEU 126 Cb -0.13 -2.78 -0.09 0.00 0.03 0.00 0.00 46.19 43.22 3cwm s LEU 126 CO 0.30 0.22 1.67 -0.69 0.23 0.00 0.00 176.35 178.08 3cwm s VAL 127 N -0.66 2.86 0.24 -1.59 1.01 -0.08 -4.91 120.40 117.28 3cwm s VAL 127 Ca 0.27 0.39 -0.07 0.00 0.00 0.00 0.00 61.98 62.58 3cwm s VAL 127 Cb -0.18 -3.25 0.24 0.00 0.00 0.00 0.00 36.38 33.19 3cwm s VAL 127 CO 0.16 0.00 1.92 0.44 0.00 0.00 0.00 175.10 177.62 3cwm h ASP 128 N 8.12 1.11 -0.15 3.32 3.32 -1.92 -2.83 116.42 127.38 3cwm h ASP 128 Ca -0.43 -0.03 -0.09 0.00 0.02 0.00 0.00 57.03 56.50 3cwm h ASP 128 Cb 1.20 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 40.46 3cwm h ASP 128 CO 0.93 0.80 -0.18 0.50 -1.72 0.00 0.00 179.24 179.57 3cwm h LYS 129 N 1.31 0.56 -0.50 3.56 3.64 -1.92 0.22 116.57 123.44 3cwm h LYS 129 Ca 0.35 -0.19 -0.12 0.00 -1.27 0.00 0.00 60.65 59.42 3cwm h LYS 129 Cb -0.15 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.61 3cwm h LYS 129 CO -0.08 0.72 -0.15 0.35 -2.27 0.00 0.00 179.45 178.03 3cwm h PHE 130 N 0.51 1.11 -0.16 1.91 3.57 -1.72 0.46 116.94 122.63 3cwm h PHE 130 Ca 0.08 -0.25 -0.11 0.00 3.53 0.00 0.00 57.97 61.23 3cwm h PHE 130 Cb 0.60 -0.27 -0.01 0.00 2.79 0.00 0.00 35.95 39.06 3cwm h PHE 130 CO 0.02 1.06 -0.38 -0.07 -2.23 0.00 0.00 178.31 176.71 3cwm h LEU 131 N 0.84 0.35 -0.12 0.59 3.38 -1.24 -0.88 115.31 118.24 3cwm h LEU 131 Ca 0.12 -0.14 -0.13 0.00 0.09 0.00 0.00 57.88 57.82 3cwm h LEU 131 Cb 0.72 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.37 3cwm h LEU 131 CO 0.05 0.71 -0.41 -0.08 0.09 0.00 0.00 178.44 178.80 3cwm h GLU 132 N 0.29 0.50 -0.73 1.13 4.81 -0.35 -2.25 114.58 117.98 3cwm h GLU 132 Ca 0.03 -0.37 -0.04 0.00 -0.13 0.00 0.00 59.36 58.84 3cwm h GLU 132 Cb 0.81 0.07 -0.03 0.00 0.63 0.00 0.00 28.75 30.22 3cwm h GLU 132 CO 0.06 0.99 0.28 -0.44 -0.73 0.00 0.00 179.01 179.18 3cwm h ASP 133 N 0.10 1.01 0.58 1.04 3.32 -0.03 -0.73 116.42 121.72 3cwm h ASP 133 Ca -0.02 -0.18 -0.03 0.00 0.02 0.00 0.00 57.03 56.83 3cwm h ASP 133 Cb 1.04 -0.26 0.01 0.00 0.22 0.00 0.00 39.33 40.33 3cwm h ASP 133 CO 0.09 0.92 -0.28 0.58 -1.72 0.00 0.00 179.24 178.83 3cwm h VAL 134 N 1.05 0.43 0.42 -1.35 2.07 -1.19 -2.71 116.25 114.98 3cwm h VAL 134 Ca 0.24 -0.03 -0.02 0.00 0.82 0.00 0.00 66.70 67.71 3cwm h VAL 134 Cb 0.23 0.44 0.00 0.00 -1.52 0.00 0.00 31.29 30.44 3cwm h VAL 134 CO -0.02 0.00 -0.20 0.11 0.02 0.00 0.00 177.57 177.48 3cwm h LYS 135 N -0.79 -0.55 -1.28 1.57 1.57 -1.38 -2.22 116.57 113.49 3cwm h LYS 135 Ca -0.08 0.04 -0.49 0.00 -1.87 0.00 0.00 60.65 58.25 3cwm h LYS 135 Cb 0.60 0.12 -0.21 0.00 0.08 0.00 0.00 32.23 32.83 3cwm h LYS 135 CO 0.13 -0.37 0.63 1.17 -0.57 0.00 0.00 179.45 180.45 3cwm n LYS 136 N -4.17 2.22 0.00 3.15 3.00 -0.28 -1.66 118.16 120.41 3cwm n LYS 136 Ca -0.07 -2.38 0.00 0.00 -0.00 0.00 0.00 58.31 55.86 3cwm n LYS 136 Cb 0.22 -1.93 0.00 0.00 0.00 0.00 0.00 35.03 33.32 3cwm n LYS 136 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 3cwm n LEU 137 N -0.25 0.00 0.00 3.14 4.77 -1.02 -4.90 117.00 118.74 3cwm n LEU 137 Ca 0.45 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.43 3cwm n LEU 137 Cb 0.62 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.71 3cwm n LEU 137 CO 0.58 0.00 0.24 -1.22 -1.33 0.00 0.00 177.39 175.66 3cwm n TYR 138 N -0.26 0.00 -3.97 -1.77 4.02 -0.86 -4.81 117.16 109.51 3cwm n TYR 138 Ca 0.00 -0.12 -0.28 0.00 -0.01 0.00 0.00 57.90 57.49 3cwm n TYR 138 Cb 0.00 -0.01 -0.00 0.00 -0.02 0.00 0.00 39.34 39.31 3cwm n TYR 138 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 176.86 176.57 3cwm n HIS 139 N -0.12 -1.88 -4.39 -0.72 8.25 -0.67 -4.96 115.22 110.75 3cwm n HIS 139 Ca 0.00 0.81 -0.24 0.00 -0.26 0.00 0.00 57.72 58.03 3cwm n HIS 139 Cb 0.22 -3.72 -0.09 0.00 1.12 0.00 0.00 29.99 27.52 3cwm n HIS 139 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 3cwm s SER 140 N -3.85 3.97 -0.18 0.41 0.01 -1.15 -4.81 113.70 108.10 3cwm s SER 140 Ca 0.34 -0.84 -0.09 0.00 1.31 0.00 0.00 55.95 56.67 3cwm s SER 140 Cb -0.18 -0.53 -0.05 0.00 0.21 0.00 0.00 66.02 65.48 3cwm s SER 140 CO 0.87 0.04 0.13 -1.61 0.41 0.00 0.00 173.24 173.08 3cwm s GLU 141 N -3.43 4.01 -0.19 12.44 8.01 -0.79 -4.12 118.70 134.64 3cwm s GLU 141 Ca 0.29 -0.20 0.01 0.00 0.01 0.00 0.00 54.97 55.07 3cwm s GLU 141 Cb -0.06 -3.36 0.04 0.00 -4.31 0.00 0.00 34.13 26.44 3cwm s GLU 141 CO 0.16 0.41 -0.10 0.00 0.01 0.00 0.00 175.26 175.74 3cwm s ALA 142 N 0.05 1.92 0.13 5.21 0.00 -1.26 -0.75 121.76 127.06 3cwm s ALA 142 Ca 0.09 -1.13 0.10 0.00 0.00 0.00 0.00 51.96 51.02 3cwm s ALA 142 Cb -0.11 -1.24 -0.04 0.00 0.00 0.00 0.00 23.12 21.73 3cwm s ALA 142 CO -0.01 -0.78 -0.20 -0.06 0.00 0.00 0.00 175.76 174.71 3cwm s PHE 143 N 1.44 2.46 -0.23 0.00 0.08 0.13 -4.98 117.98 116.87 3cwm s PHE 143 Ca -0.00 -0.30 -0.05 0.00 0.12 0.00 0.00 56.93 56.70 3cwm s PHE 143 Cb -0.16 -1.29 -0.01 0.00 -0.57 0.00 0.00 43.02 40.99 3cwm s PHE 143 CO -0.08 0.40 -0.01 0.95 -0.10 0.00 0.00 175.22 176.38 3cwm s THR 144 N -1.23 3.65 0.16 0.64 -4.23 -1.26 -1.23 115.64 112.14 3cwm s THR 144 Ca 0.18 -0.42 0.06 0.00 -1.18 0.00 0.00 61.69 60.33 3cwm s THR 144 Cb -0.10 -2.69 -0.04 0.00 1.34 0.00 0.00 72.50 71.01 3cwm s THR 144 CO 0.09 0.38 -0.12 0.68 -0.54 0.00 0.00 174.62 175.11 3cwm s VAL 145 N 1.52 1.41 -0.63 2.29 -7.23 -0.66 -4.79 120.40 112.31 3cwm s VAL 145 Ca 0.06 -2.07 -0.24 0.00 -1.81 0.00 0.00 61.98 57.91 3cwm s VAL 145 Cb -0.15 -1.88 0.05 0.00 0.56 0.00 0.00 36.38 34.97 3cwm s VAL 145 CO -0.01 -0.64 1.03 0.21 -0.31 0.00 0.00 175.10 175.38 3cwm s ASN 146 N -3.12 6.25 0.00 4.85 3.84 -1.26 -1.32 114.94 124.17 3cwm s ASN 146 Ca 0.18 -0.57 0.24 0.00 0.21 0.00 0.00 52.86 52.92 3cwm s ASN 146 Cb 0.00 -2.46 1.22 0.00 -0.55 0.00 0.00 41.25 39.46 3cwm s ASN 146 CO 0.03 -1.44 1.78 0.49 -2.79 0.00 0.00 177.10 175.17 3cwm n PHE 147 N 7.99 0.00 0.25 0.43 3.72 -1.26 -3.06 117.46 125.53 3cwm n PHE 147 Ca 0.00 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.51 3cwm n PHE 147 Cb 0.47 -0.26 0.67 0.00 -0.94 0.00 0.00 39.48 39.42 3cwm n PHE 147 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 3cwm h GLY 148 N 3.89 0.00 -7.54 1.37 0.00 -1.90 -3.37 103.07 95.52 3cwm h GLY 148 Ca 0.00 0.00 -0.70 0.00 0.00 0.00 0.00 47.33 46.63 3cwm h GLY 148 CO 0.00 0.00 -0.56 -0.35 0.00 0.00 0.00 176.54 175.63 3cwm s ASP 149 N -6.37 5.29 0.21 0.19 -1.08 -1.17 -4.99 116.67 108.74 3cwm s ASP 149 Ca -0.03 -1.71 -0.08 0.00 -0.52 0.00 0.00 52.55 50.20 3cwm s ASP 149 Cb 0.14 -1.85 0.16 0.00 -1.46 0.00 0.00 42.92 39.91 3cwm s ASP 149 CO 0.61 -0.48 1.81 0.74 0.52 0.00 0.00 175.17 178.38 3cwm h THR 150 N 6.30 1.25 -0.30 1.71 2.02 -1.85 -1.60 112.91 120.44 3cwm h THR 150 Ca -0.18 -0.67 -0.09 0.00 0.77 0.00 0.00 66.41 66.25 3cwm h THR 150 Cb 1.06 0.21 -0.01 0.00 -1.74 0.00 0.00 68.15 67.68 3cwm h THR 150 CO 0.68 0.29 -0.15 -0.33 0.37 0.00 0.00 175.52 176.38 3cwm h GLU 151 N 1.12 0.63 0.03 6.66 4.39 -1.95 -0.50 114.58 124.95 3cwm h GLU 151 Ca 0.28 -0.28 -0.00 0.00 0.34 0.00 0.00 59.36 59.70 3cwm h GLU 151 Cb 0.09 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.72 3cwm h GLU 151 CO -0.04 0.86 -0.01 1.49 -1.16 0.00 0.00 179.01 180.15 3cwm h GLU 152 N 0.38 -0.04 -0.56 2.33 4.81 -1.89 -0.05 114.58 119.56 3cwm h GLU 152 Ca 0.07 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.29 3cwm h GLU 152 Cb 0.67 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.04 3cwm h GLU 152 CO 0.04 0.14 0.33 0.00 -0.73 0.00 0.00 179.01 178.79 3cwm h ALA 153 N 0.77 0.71 -0.58 2.92 0.00 -1.33 -0.55 119.26 121.20 3cwm h ALA 153 Ca -0.00 -0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 3cwm h ALA 153 Cb 0.19 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3cwm h ALA 153 CO 0.01 0.20 0.01 -0.22 0.00 0.00 0.00 179.25 179.25 3cwm h LYS 154 N 0.75 0.99 -0.04 0.00 3.64 -1.01 -1.71 116.57 119.20 3cwm h LYS 154 Ca 0.20 -0.29 -0.19 0.00 -1.27 0.00 0.00 60.65 59.09 3cwm h LYS 154 Cb -0.00 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.71 3cwm h LYS 154 CO -0.04 0.97 -0.81 -0.22 -2.27 0.00 0.00 179.45 177.08 3cwm h LYS 155 N 0.92 0.33 -0.00 1.90 3.64 -0.82 -1.85 116.57 120.69 3cwm h LYS 155 Ca 0.17 -0.31 0.00 0.00 -1.27 0.00 0.00 60.65 59.24 3cwm h LYS 155 Cb 0.51 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.41 3cwm h LYS 155 CO 0.03 0.98 -0.04 0.94 -2.27 0.00 0.00 179.45 179.08 3cwm n GLN 156 N -3.77 0.31 -0.07 1.90 7.27 -0.23 -0.54 117.38 122.25 3cwm n GLN 156 Ca -0.04 -0.04 -0.22 0.00 0.07 0.00 0.00 57.00 56.77 3cwm n GLN 156 Cb 0.76 -1.50 -0.12 0.00 2.41 0.00 0.00 30.24 31.78 3cwm n GLN 156 CO 0.00 0.00 0.00 -0.89 0.07 0.00 0.00 177.06 176.24 3cwm n ILE 157 N -1.31 1.62 0.27 1.69 5.41 -0.65 -3.83 119.36 122.55 3cwm n ILE 157 Ca 0.12 -0.30 0.16 0.00 1.00 0.00 0.00 62.75 63.73 3cwm n ILE 157 Cb 0.28 -1.90 0.58 0.00 -0.71 0.00 0.00 39.64 37.89 3cwm n ILE 157 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 176.55 177.33 3cwm h ASN 158 N -0.59 0.00 0.84 4.38 2.35 -1.30 -2.90 115.58 118.35 3cwm h ASN 158 Ca -0.42 0.00 -0.22 0.00 -0.55 0.00 0.00 56.30 55.12 3cwm h ASN 158 Cb 1.61 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.96 3cwm h ASN 158 CO -0.12 0.00 -1.01 -0.78 -1.65 0.00 0.00 177.43 173.86 3cwm h ASP 159 N 0.00 0.13 0.53 5.81 1.82 -1.01 -2.47 116.42 121.23 3cwm h ASP 159 Ca 0.00 -0.13 -0.12 0.00 -0.39 0.00 0.00 57.03 56.39 3cwm h ASP 159 Cb 0.61 -0.04 -0.02 0.00 0.68 0.00 0.00 39.33 40.56 3cwm h ASP 159 CO 0.00 1.06 -0.57 0.22 -1.61 0.00 0.00 179.24 178.34 3cwm h TYR 160 N 0.03 0.05 0.00 0.28 3.20 -1.62 -2.75 116.97 116.16 3cwm h TYR 160 Ca -0.04 -0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.74 3cwm h TYR 160 Cb 1.74 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 39.99 3cwm h TYR 160 CO 0.02 0.60 -0.48 0.28 -1.64 0.00 0.00 178.16 176.94 3cwm h VAL 161 N 0.03 0.52 -0.21 1.81 2.07 -1.54 -2.08 116.25 116.85 3cwm h VAL 161 Ca -0.00 -1.77 -0.02 0.00 0.82 0.00 0.00 66.70 65.73 3cwm h VAL 161 Cb 1.01 2.21 -0.01 0.00 -1.52 0.00 0.00 31.29 32.98 3cwm h VAL 161 CO 0.08 0.30 0.07 -0.33 0.02 0.00 0.00 177.57 177.70 3cwm h GLU 162 N 0.00 0.33 -0.18 1.57 5.08 -1.18 -2.40 114.58 117.80 3cwm h GLU 162 Ca -0.02 -0.07 -0.11 0.00 -1.00 0.00 0.00 59.36 58.16 3cwm h GLU 162 Cb 1.27 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.47 3cwm h GLU 162 CO 0.04 0.42 -0.33 -0.22 -1.00 0.00 0.00 179.01 177.92 3cwm h LYS 163 N 0.18 0.54 -0.82 2.33 3.64 -1.56 0.30 116.57 121.18 3cwm h LYS 163 Ca 0.07 -0.34 0.03 0.00 -1.27 0.00 0.00 60.65 59.14 3cwm h LYS 163 Cb 0.23 0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 32.04 3cwm h LYS 163 CO -0.00 0.95 0.54 0.78 -2.27 0.00 0.00 179.45 179.44 3cwm h GLY 164 N 0.18 1.15 -3.52 5.01 0.00 -1.40 -2.71 103.07 101.78 3cwm h GLY 164 Ca 0.01 -0.40 -0.16 0.00 0.00 0.00 0.00 47.33 46.78 3cwm h GLY 164 CO 0.07 0.35 0.20 -1.30 0.00 0.00 0.00 176.54 175.86 3cwm n THR 165 N -4.45 2.71 -0.68 4.70 -2.24 -0.90 -4.88 114.28 108.55 3cwm n THR 165 Ca 0.10 -1.45 0.00 0.00 -2.27 0.00 0.00 64.05 60.44 3cwm n THR 165 Cb 0.11 -0.37 0.00 0.00 -2.10 0.00 0.00 70.33 67.97 3cwm n THR 165 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3cwm n GLN 166 N 0.06 -0.92 0.00 -0.78 1.13 -1.02 -1.04 117.38 114.81 3cwm n GLN 166 Ca 0.35 0.21 0.00 0.00 -1.94 0.00 0.00 57.00 55.63 3cwm n GLN 166 Cb 1.28 -4.51 0.00 0.00 0.11 0.00 0.00 30.24 27.12 3cwm n GLN 166 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3cwm n GLY 167 N -0.54 1.33 0.10 1.08 0.00 0.09 -4.98 105.19 102.28 3cwm n GLY 167 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 3cwm n GLY 167 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3cwm h LYS 168 N 1.40 0.20 -4.73 1.61 1.79 -1.30 -3.43 116.57 112.11 3cwm h LYS 168 Ca 0.00 -0.34 -0.69 0.00 -2.18 0.00 0.00 60.65 57.44 3cwm h LYS 168 Cb 0.00 0.13 -0.28 0.00 -1.58 0.00 0.00 32.23 30.50 3cwm h LYS 168 CO 0.00 1.05 -0.61 0.42 -1.08 0.00 0.00 179.45 179.23 3cwm s ILE 169 N -2.63 3.85 0.30 1.86 1.01 -1.26 -5.10 121.20 119.24 3cwm s ILE 169 Ca -0.07 -0.95 0.08 0.00 0.00 0.00 0.00 60.65 59.71 3cwm s ILE 169 Cb 0.07 -3.10 -0.04 0.00 0.01 0.00 0.00 42.46 39.40 3cwm s ILE 169 CO 0.85 -0.07 0.12 0.68 0.00 0.00 0.00 174.94 176.52 3cwm s VAL 170 N 1.44 3.41 -1.23 2.92 -7.23 -1.26 -3.46 120.40 114.99 3cwm s VAL 170 Ca 0.00 -1.69 -0.05 0.00 -1.81 0.00 0.00 61.98 58.43 3cwm s VAL 170 Cb -0.19 -3.02 0.05 0.00 0.56 0.00 0.00 36.38 33.79 3cwm s VAL 170 CO 0.03 -0.26 0.14 0.47 -0.31 0.00 0.00 175.10 175.16 3cwm n ASP 171 N -1.10 0.08 0.45 4.85 10.43 -1.26 -4.84 116.55 125.16 3cwm n ASP 171 Ca -0.05 -0.94 -0.18 0.00 2.57 0.00 0.00 54.79 56.19 3cwm n ASP 171 Cb 0.60 -1.18 -0.08 0.00 1.84 0.00 0.00 41.12 42.29 3cwm n ASP 171 CO 0.00 0.00 0.00 0.25 -1.07 0.00 0.00 177.20 176.38 3cwm h LEU 172 N -0.94 -0.98 -8.86 0.64 5.85 -1.86 -3.41 115.31 105.75 3cwm h LEU 172 Ca -0.48 0.03 -0.57 0.00 0.84 0.00 0.00 57.88 57.71 3cwm h LEU 172 Cb 1.04 0.25 -0.06 0.00 0.37 0.00 0.00 40.66 42.26 3cwm h LEU 172 CO 0.57 -0.66 0.98 -0.69 -0.34 0.00 0.00 178.44 178.30 3cwm s VAL 173 N -5.40 4.12 0.04 1.05 1.01 -1.26 -4.90 120.40 115.06 3cwm s VAL 173 Ca -0.17 1.21 -0.15 0.00 0.00 0.00 0.00 61.98 62.87 3cwm s VAL 173 Cb 0.02 -4.30 -0.33 0.00 0.00 0.00 0.00 36.38 31.77 3cwm s VAL 173 CO 0.51 -0.68 1.05 0.11 0.00 0.00 0.00 175.10 176.09 3cwm h LYS 174 N 9.56 0.58 -3.78 2.72 1.79 -1.99 -3.47 116.57 121.99 3cwm h LYS 174 Ca -0.25 -0.89 -0.16 0.00 -2.18 0.00 0.00 60.65 57.17 3cwm h LYS 174 Cb 1.09 0.32 -0.21 0.00 -1.58 0.00 0.00 32.23 31.84 3cwm h LYS 174 CO 1.07 1.42 -0.61 -1.83 -1.08 0.00 0.00 179.45 178.41 3cwm s GLU 175 N -2.77 0.38 -0.10 3.15 -1.05 -1.26 -5.14 118.70 111.91 3cwm s GLU 175 Ca -0.09 -0.51 -0.01 0.00 -0.15 0.00 0.00 54.97 54.21 3cwm s GLU 175 Cb 0.05 0.15 0.03 0.00 -0.44 0.00 0.00 34.13 33.91 3cwm s GLU 175 CO 0.94 -0.08 -0.03 -0.51 0.95 0.00 0.00 175.26 176.54 3cwm s LEU 176 N -1.40 0.87 0.51 1.83 1.43 -1.26 -5.14 118.68 115.52 3cwm s LEU 176 Ca -0.15 -0.22 -0.17 0.00 -1.03 0.00 0.00 54.13 52.56 3cwm s LEU 176 Cb -0.09 -0.61 -0.08 0.00 0.03 0.00 0.00 46.19 45.44 3cwm s LEU 176 CO 0.00 -0.17 1.00 1.51 0.23 0.00 0.00 176.35 178.92 3cwm s ASP 177 N 1.86 6.51 0.42 2.29 1.47 -1.26 -4.96 116.67 122.99 3cwm s ASP 177 Ca 0.05 1.66 0.09 0.00 1.18 0.00 0.00 52.55 55.52 3cwm s ASP 177 Cb -0.13 -2.52 0.90 0.00 -0.34 0.00 0.00 42.92 40.83 3cwm s ASP 177 CO -0.07 -0.67 2.04 -0.09 0.68 0.00 0.00 175.17 177.07 3cwm h ARG 178 N 1.04 0.42 0.00 2.11 2.43 -2.01 -2.88 114.38 115.49 3cwm h ARG 178 Ca -0.47 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.66 3cwm h ARG 178 Cb 1.19 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.66 3cwm h ARG 178 CO 0.60 0.32 0.00 -0.40 -1.51 0.00 0.00 179.97 178.98 3cwm n ASP 179 N -4.45 0.02 -4.63 -3.80 5.75 -1.26 -4.88 116.55 103.31 3cwm n ASP 179 Ca 0.02 0.50 -0.48 0.00 -0.01 0.00 0.00 54.79 54.82 3cwm n ASP 179 Cb 0.10 -0.51 -0.04 0.00 -1.03 0.00 0.00 41.12 39.64 3cwm n ASP 179 CO 0.00 0.00 0.00 1.07 -0.11 0.00 0.00 177.20 178.16 3cwm n THR 180 N -1.52 0.31 0.00 2.12 5.66 -1.09 -4.89 114.28 114.86 3cwm n THR 180 Ca 0.04 -0.08 0.00 0.00 -3.05 0.00 0.00 64.05 60.97 3cwm n THR 180 Cb 0.22 -1.18 0.00 0.00 -1.55 0.00 0.00 70.33 67.82 3cwm n THR 180 CO 0.00 0.00 0.00 1.33 -3.05 0.00 0.00 175.07 173.35 3cwm n VAL 181 N 2.55 0.00 -3.56 1.08 0.24 -1.26 -4.83 118.33 112.54 3cwm n VAL 181 Ca 0.16 -0.03 -0.07 0.00 -2.04 0.00 0.00 64.34 62.36 3cwm n VAL 181 Cb 0.25 0.40 -0.08 0.00 -1.47 0.00 0.00 33.84 32.94 3cwm n VAL 181 CO 0.00 0.00 0.00 0.12 -2.14 0.00 0.00 176.83 174.81 3cwm s PHE 182 N -1.36 -0.90 -0.02 6.34 5.36 -1.25 -0.03 117.98 126.12 3cwm s PHE 182 Ca 0.00 1.46 0.06 0.00 -0.96 0.00 0.00 56.93 57.49 3cwm s PHE 182 Cb 0.00 0.30 -0.01 0.00 -0.34 0.00 0.00 43.02 42.97 3cwm s PHE 182 CO 0.00 -0.57 -0.19 0.00 -1.46 0.00 0.00 175.22 173.00 3cwm s ALA 183 N 2.64 1.62 -0.13 11.12 0.00 0.68 -0.43 121.76 137.26 3cwm s ALA 183 Ca 0.02 -0.81 0.01 0.00 0.00 0.00 0.00 51.96 51.17 3cwm s ALA 183 Cb -0.13 -0.44 -0.01 0.00 0.00 0.00 0.00 23.12 22.54 3cwm s ALA 183 CO -0.14 0.37 -0.15 -1.17 0.00 0.00 0.00 175.76 174.67 3cwm s LEU 184 N -0.34 2.59 -0.14 0.00 0.20 0.64 -0.49 118.68 121.14 3cwm s LEU 184 Ca 0.05 -0.38 0.00 0.00 0.69 0.00 0.00 54.13 54.49 3cwm s LEU 184 Cb -0.09 -1.57 0.02 0.00 -0.43 0.00 0.00 46.19 44.12 3cwm s LEU 184 CO 0.00 0.16 -0.13 -0.69 -0.29 0.00 0.00 176.35 175.40 3cwm s VAL 185 N 0.38 1.47 -0.23 1.68 1.01 0.55 -1.21 120.40 124.05 3cwm s VAL 185 Ca -0.12 -0.57 0.02 0.00 0.00 0.00 0.00 61.98 61.31 3cwm s VAL 185 Cb -0.16 -1.39 0.05 0.00 0.00 0.00 0.00 36.38 34.88 3cwm s VAL 185 CO 0.06 0.44 -0.13 0.21 0.00 0.00 0.00 175.10 175.68 3cwm s ASN 186 N 1.48 3.99 0.20 3.32 3.84 0.77 -0.23 114.94 128.30 3cwm s ASN 186 Ca 0.04 -1.15 0.09 0.00 0.21 0.00 0.00 52.86 52.05 3cwm s ASN 186 Cb -0.13 -1.49 -0.04 0.00 -0.55 0.00 0.00 41.25 39.04 3cwm s ASN 186 CO -0.09 -0.14 -0.19 -0.72 -2.79 0.00 0.00 177.10 173.17 3cwm s TYR 187 N 1.19 1.95 -0.28 0.43 -0.85 -0.57 -0.89 117.35 118.32 3cwm s TYR 187 Ca -0.05 -0.45 -0.16 0.00 -0.52 0.00 0.00 57.07 55.90 3cwm s TYR 187 Cb -0.18 -0.93 0.10 0.00 0.38 0.00 0.00 41.96 41.33 3cwm s TYR 187 CO -0.07 0.43 0.77 -1.50 -1.52 0.00 0.00 175.55 173.65 3cwm s ILE 188 N -2.27 -0.08 -0.07 -3.49 2.07 -0.77 -1.50 121.20 115.09 3cwm s ILE 188 Ca 0.20 0.00 0.02 0.00 -1.41 0.00 0.00 60.65 59.47 3cwm s ILE 188 Cb -0.05 -1.00 0.01 0.00 0.13 0.00 0.00 42.46 41.55 3cwm s ILE 188 CO 0.09 0.00 -0.14 0.12 -1.91 0.00 0.00 174.94 173.09 3cwm s PHE 189 N 1.66 1.66 -0.02 3.50 5.36 -0.70 -0.82 117.98 128.62 3cwm s PHE 189 Ca -0.09 -0.64 0.00 0.00 -0.96 0.00 0.00 56.93 55.24 3cwm s PHE 189 Cb -0.05 -1.19 0.03 0.00 -0.34 0.00 0.00 43.02 41.47 3cwm s PHE 189 CO -0.19 -0.31 0.02 0.12 -1.46 0.00 0.00 175.22 173.40 3cwm s PHE 190 N 0.64 0.10 -0.36 10.12 5.36 -0.20 -1.95 117.98 131.69 3cwm s PHE 190 Ca -0.15 0.09 0.01 0.00 -0.96 0.00 0.00 56.93 55.93 3cwm s PHE 190 Cb -0.16 -0.26 0.15 0.00 -0.34 0.00 0.00 43.02 42.40 3cwm s PHE 190 CO 0.04 -0.09 0.29 0.21 -1.46 0.00 0.00 175.22 174.22 3cwm s LYS 191 N 0.97 0.57 0.40 10.12 2.47 -1.22 -1.80 119.74 131.25 3cwm s LYS 191 Ca -0.09 -1.02 -0.17 0.00 -1.56 0.00 0.00 55.97 53.14 3cwm s LYS 191 Cb -0.12 -0.98 -0.09 0.00 -1.46 0.00 0.00 37.83 35.18 3cwm s LYS 191 CO -0.02 -1.19 0.86 0.20 0.16 0.00 0.00 175.35 175.36 3cwm s GLY 192 N 1.34 2.29 -0.29 5.54 0.00 -1.26 -4.53 107.32 110.41 3cwm s GLY 192 Ca 0.17 0.19 -0.09 0.00 0.00 0.00 0.00 44.72 44.98 3cwm s GLY 192 CO -0.04 0.43 0.14 0.54 0.00 0.00 0.00 173.10 174.17 3cwm s LYS 193 N -3.29 3.53 0.29 2.90 1.02 -1.26 -2.90 119.74 120.03 3cwm s LYS 193 Ca 0.58 -0.58 -0.30 0.00 0.02 0.00 0.00 55.97 55.69 3cwm s LYS 193 Cb -0.10 -3.52 -0.10 0.00 -0.52 0.00 0.00 37.83 33.59 3cwm s LYS 193 CO 0.19 -0.31 1.46 -1.58 -0.92 0.00 0.00 175.35 174.18 3cwm s TRP 194 N 1.64 2.90 0.32 3.18 0.23 -1.26 0.10 118.94 126.06 3cwm s TRP 194 Ca 0.06 1.05 0.00 0.00 -2.03 0.00 0.00 56.10 55.18 3cwm s TRP 194 Cb -0.16 -3.88 0.54 0.00 0.03 0.00 0.00 33.47 29.99 3cwm s TRP 194 CO 0.06 -2.80 1.98 0.93 0.96 0.00 0.00 176.95 178.09 3cwm h GLU 195 N 4.46 0.93 -3.24 4.98 5.08 -1.59 -3.35 114.58 121.86 3cwm h GLU 195 Ca -0.47 -0.07 -0.63 0.00 -1.00 0.00 0.00 59.36 57.19 3cwm h GLU 195 Cb 1.22 -0.21 -0.41 0.00 0.50 0.00 0.00 28.75 29.86 3cwm h GLU 195 CO 0.74 0.63 -0.68 1.03 -1.00 0.00 0.00 179.01 179.74 3cwm s ARG 196 N -5.77 1.65 0.79 2.33 0.52 -1.26 -5.03 118.95 112.17 3cwm s ARG 196 Ca -0.11 -2.32 -0.12 0.00 -0.52 0.00 0.00 55.73 52.67 3cwm s ARG 196 Cb 0.18 -2.87 0.06 0.00 0.52 0.00 0.00 34.95 32.84 3cwm s ARG 196 CO 0.78 -1.13 1.10 -1.25 0.02 0.00 0.00 175.30 174.82 3cwm s PRO 197 N 0.04 2.18 0.53 3.54 0.04 -1.26 -5.06 135.00 135.01 3cwm s PRO 197 Ca 0.17 0.57 -0.01 0.00 0.04 0.00 0.00 61.00 61.77 3cwm s PRO 197 Cb -0.25 -1.94 0.02 0.00 0.04 0.00 0.00 34.50 32.37 3cwm s PRO 197 CO -0.00 -1.54 0.78 -0.06 0.04 0.00 0.00 177.00 176.22 3cwm s PHE 198 N -3.22 3.06 -0.21 0.56 0.08 -0.43 -5.03 117.98 112.79 3cwm s PHE 198 Ca 0.60 0.22 -0.07 0.00 0.12 0.00 0.00 56.93 57.80 3cwm s PHE 198 Cb -0.14 -2.62 -0.04 0.00 -0.57 0.00 0.00 43.02 39.65 3cwm s PHE 198 CO 0.53 -0.72 0.07 -1.21 -0.10 0.00 0.00 175.22 173.79 3cwm s GLU 199 N -4.76 3.84 0.23 0.44 2.02 -1.26 -4.56 118.70 114.65 3cwm s GLU 199 Ca 0.54 -0.40 -0.08 0.00 0.02 0.00 0.00 54.97 55.04 3cwm s GLU 199 Cb -0.10 -3.26 0.38 0.00 0.10 0.00 0.00 34.13 31.24 3cwm s GLU 199 CO 0.40 0.08 1.65 0.28 0.02 0.00 0.00 175.26 177.68 3cwm h VAL 200 N 5.16 0.40 -0.53 2.63 2.07 -1.97 -0.45 116.25 123.57 3cwm h VAL 200 Ca -0.37 -0.04 0.16 0.00 0.82 0.00 0.00 66.70 67.27 3cwm h VAL 200 Cb 1.17 0.28 -0.02 0.00 -1.52 0.00 0.00 31.29 31.20 3cwm h VAL 200 CO 0.64 0.02 0.68 0.07 0.02 0.00 0.00 177.57 179.01 3cwm h LYS 201 N 0.11 0.00 -0.01 1.57 2.10 -2.00 -0.38 116.57 117.96 3cwm h LYS 201 Ca 0.38 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.03 3cwm h LYS 201 Cb 0.64 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.97 3cwm h LYS 201 CO -0.61 0.00 -0.44 -0.25 -2.00 0.00 0.00 179.45 176.15 3cwm n ASP 202 N -3.43 1.26 -4.69 7.07 8.00 -0.18 -4.88 116.55 119.70 3cwm n ASP 202 Ca 0.11 -1.00 -0.42 0.00 0.71 0.00 0.00 54.79 54.18 3cwm n ASP 202 Cb 0.88 0.35 -0.03 0.00 -0.02 0.00 0.00 41.12 42.31 3cwm n ASP 202 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3cwm s THR 203 N -2.62 4.39 0.06 -3.53 2.01 -0.16 -4.21 115.64 111.59 3cwm s THR 203 Ca 0.19 1.70 0.05 0.00 0.31 0.00 0.00 61.69 63.94 3cwm s THR 203 Cb 0.18 -4.09 -0.03 0.00 0.01 0.00 0.00 72.50 68.57 3cwm s THR 203 CO 0.60 -0.01 -0.13 -1.61 -0.69 0.00 0.00 174.62 172.78 3cwm s GLU 204 N 2.24 0.79 0.06 4.92 2.02 -0.83 -4.91 118.70 122.99 3cwm s GLU 204 Ca 0.54 -0.88 -0.31 0.00 0.02 0.00 0.00 54.97 54.34 3cwm s GLU 204 Cb -0.23 -0.76 -0.07 0.00 0.10 0.00 0.00 34.13 33.17 3cwm s GLU 204 CO 0.20 0.17 1.48 -2.00 0.02 0.00 0.00 175.26 175.14 3cwm s GLU 205 N -1.59 4.26 0.13 1.61 2.56 -1.26 0.08 118.70 124.49 3cwm s GLU 205 Ca -0.02 2.13 -0.03 0.00 0.00 0.00 0.00 54.97 57.04 3cwm s GLU 205 Cb -0.10 -3.46 -0.03 0.00 2.00 0.00 0.00 34.13 32.55 3cwm s GLU 205 CO 0.02 -0.59 0.11 -1.21 -0.56 0.00 0.00 175.26 173.04 3cwm s GLU 206 N 2.02 0.97 0.39 4.30 0.41 0.27 -4.88 118.70 122.18 3cwm s GLU 206 Ca 0.67 -1.34 -0.26 0.00 -0.41 0.00 0.00 54.97 53.63 3cwm s GLU 206 Cb -0.36 0.28 -0.09 0.00 -1.78 0.00 0.00 34.13 32.18 3cwm s GLU 206 CO 0.29 -0.29 1.24 -0.51 -0.49 0.00 0.00 175.26 175.50 3cwm s ASP 207 N -3.01 6.47 -0.08 -0.19 1.01 -1.26 -0.77 116.67 118.83 3cwm s ASP 207 Ca 0.21 2.51 0.03 0.00 0.71 0.00 0.00 52.55 56.01 3cwm s ASP 207 Cb 0.06 -2.63 0.01 0.00 1.01 0.00 0.00 42.92 41.37 3cwm s ASP 207 CO 0.00 -0.73 -0.18 0.12 0.21 0.00 0.00 175.17 174.59 3cwm s PHE 208 N -1.31 2.01 -0.52 4.23 2.19 0.61 -4.84 117.98 120.35 3cwm s PHE 208 Ca 0.56 -0.78 -0.20 0.00 0.33 0.00 0.00 56.93 56.85 3cwm s PHE 208 Cb -0.35 -1.39 0.06 0.00 -1.31 0.00 0.00 43.02 40.04 3cwm s PHE 208 CO 0.45 -0.33 0.67 -1.01 1.83 0.00 0.00 175.22 176.82 3cwm s HIS 209 N 0.44 3.01 -0.30 10.12 3.76 0.30 -1.37 115.29 131.25 3cwm s HIS 209 Ca -0.16 -0.55 0.20 0.00 -0.15 0.00 0.00 55.06 54.41 3cwm s HIS 209 Cb -0.16 -3.65 0.17 0.00 1.11 0.00 0.00 32.58 30.04 3cwm s HIS 209 CO 0.06 -1.10 1.40 -0.39 -0.85 0.00 0.00 174.74 173.86 3cwm h VAL 210 N 5.88 0.27 -3.35 -0.90 -1.51 -1.63 -3.34 116.25 111.67 3cwm h VAL 210 Ca -0.28 -1.40 -0.14 0.00 -1.23 0.00 0.00 66.70 63.66 3cwm h VAL 210 Cb 1.09 2.02 -0.03 0.00 -2.13 0.00 0.00 31.29 32.25 3cwm h VAL 210 CO 0.99 0.15 0.06 -0.90 -1.23 0.00 0.00 177.57 176.65 3cwm n ASP 211 N -3.04 -1.66 0.29 4.19 5.68 -1.22 -4.91 116.55 115.89 3cwm n ASP 211 Ca 0.02 -2.57 0.19 0.00 -0.50 0.00 0.00 54.79 51.92 3cwm n ASP 211 Cb 0.61 2.88 0.84 0.00 -1.14 0.00 0.00 41.12 44.32 3cwm n ASP 211 CO 0.00 0.00 0.00 1.56 -1.33 0.00 0.00 177.20 177.43 3cwm h GLN 212 N 0.00 0.00 -0.07 0.11 4.20 -2.03 -2.97 115.11 114.35 3cwm h GLN 212 Ca -0.27 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.44 3cwm h GLN 212 Cb 1.09 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.87 3cwm h GLN 212 CO 0.36 0.00 0.00 1.33 -0.67 0.00 0.00 178.83 179.85 3cwm n VAL 213 N -3.04 0.66 -4.09 -0.54 0.24 -1.26 -5.05 118.33 105.25 3cwm n VAL 213 Ca -0.00 -0.83 -0.18 0.00 -2.04 0.00 0.00 64.34 61.29 3cwm n VAL 213 Cb 0.23 0.69 -0.16 0.00 -1.47 0.00 0.00 33.84 33.13 3cwm n VAL 213 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 3cwm s THR 214 N -0.75 0.38 0.21 3.34 2.01 -1.12 -5.11 115.64 114.59 3cwm s THR 214 Ca 0.06 -0.09 0.10 0.00 0.31 0.00 0.00 61.69 62.07 3cwm s THR 214 Cb 0.03 -0.40 -0.04 0.00 0.01 0.00 0.00 72.50 72.09 3cwm s THR 214 CO 0.04 0.17 -0.21 0.42 -0.69 0.00 0.00 174.62 174.35 3cwm s THR 215 N 0.63 2.17 0.06 -0.82 -4.23 -1.26 -1.84 115.64 110.35 3cwm s THR 215 Ca -0.07 -2.10 0.04 0.00 -1.18 0.00 0.00 61.69 58.38 3cwm s THR 215 Cb -0.11 -2.07 -0.03 0.00 1.34 0.00 0.00 72.50 71.63 3cwm s THR 215 CO -0.00 -0.28 -0.11 0.54 -0.54 0.00 0.00 174.62 174.23 3cwm s VAL 216 N -2.08 0.83 -0.08 2.29 0.11 -0.47 -4.94 120.40 116.06 3cwm s VAL 216 Ca 0.21 -1.24 -0.25 0.00 -2.93 0.00 0.00 61.98 57.77 3cwm s VAL 216 Cb -0.06 -0.89 -0.03 0.00 -1.53 0.00 0.00 36.38 33.87 3cwm s VAL 216 CO 0.10 -0.34 0.78 -0.54 -3.33 0.00 0.00 175.10 171.78 3cwm s LYS 217 N -1.79 4.43 0.04 1.54 -0.14 -1.26 -0.28 119.74 122.27 3cwm s LYS 217 Ca -0.05 1.01 0.03 0.00 -1.36 0.00 0.00 55.97 55.61 3cwm s LYS 217 Cb -0.09 -3.48 -0.02 0.00 -1.68 0.00 0.00 37.83 32.56 3cwm s LYS 217 CO 0.01 -0.04 -0.10 0.14 -0.76 0.00 0.00 175.35 174.60 3cwm s VAL 218 N 1.13 0.77 -0.16 3.17 -7.23 0.05 -4.92 120.40 113.22 3cwm s VAL 218 Ca 0.41 -0.92 -0.29 0.00 -1.81 0.00 0.00 61.98 59.37 3cwm s VAL 218 Cb -0.18 -0.75 -0.05 0.00 0.56 0.00 0.00 36.38 35.96 3cwm s VAL 218 CO 0.19 -0.14 2.03 -2.16 -0.31 0.00 0.00 175.10 174.71 3cwm s PRO 219 N -1.17 3.53 -0.32 4.82 0.04 -1.26 -0.57 135.00 140.06 3cwm s PRO 219 Ca -0.03 2.09 -0.12 0.00 0.04 0.00 0.00 61.00 62.98 3cwm s PRO 219 Cb -0.08 -4.25 -0.02 0.00 0.04 0.00 0.00 34.50 30.19 3cwm s PRO 219 CO 0.01 -1.65 0.21 1.41 0.04 0.00 0.00 177.00 177.03 3cwm s MET 220 N 5.52 3.58 0.42 4.56 1.75 0.11 -0.86 119.30 134.38 3cwm s MET 220 Ca 0.91 -0.58 -0.22 0.00 -1.25 0.00 0.00 55.69 54.55 3cwm s MET 220 Cb -0.34 -3.73 -0.10 0.00 2.84 0.00 0.00 34.83 33.50 3cwm s MET 220 CO 0.36 -0.38 0.99 -1.64 -0.65 0.00 0.00 175.02 173.71 3cwm s MET 221 N 1.72 4.17 -0.08 4.11 -1.94 0.11 -1.97 119.30 125.42 3cwm s MET 221 Ca 0.06 1.30 -0.05 0.00 -1.71 0.00 0.00 55.69 55.30 3cwm s MET 221 Cb -0.17 -2.34 0.04 0.00 2.01 0.00 0.00 34.83 34.36 3cwm s MET 221 CO 0.10 -0.10 0.19 0.15 -0.01 0.00 0.00 175.02 175.35 3cwm s LYS 222 N -2.85 0.16 -0.17 2.03 1.02 -1.26 -1.13 119.74 117.54 3cwm s LYS 222 Ca 0.60 0.40 -0.10 0.00 0.02 0.00 0.00 55.97 56.90 3cwm s LYS 222 Cb -0.15 -0.09 0.06 0.00 -0.52 0.00 0.00 37.83 37.12 3cwm s LYS 222 CO 0.20 -0.13 0.41 0.50 -0.92 0.00 0.00 175.35 175.40 3cwm s ARG 223 N 0.95 0.40 -0.31 1.68 3.52 -0.98 -4.63 118.95 119.57 3cwm s ARG 223 Ca -0.07 0.77 -0.20 0.00 -0.13 0.00 0.00 55.73 56.10 3cwm s ARG 223 Cb -0.09 -0.01 -0.01 0.00 -1.56 0.00 0.00 34.95 33.29 3cwm s ARG 223 CO -0.05 -0.15 0.60 -1.17 -0.81 0.00 0.00 175.30 173.72 3cwm s LEU 224 N 1.31 4.17 0.00 -0.88 2.96 -1.26 -1.74 118.68 123.24 3cwm s LEU 224 Ca -0.09 0.35 0.00 0.00 -0.22 0.00 0.00 54.13 54.17 3cwm s LEU 224 Cb -0.08 -2.77 0.00 0.00 0.50 0.00 0.00 46.19 43.84 3cwm s LEU 224 CO -0.12 -0.47 0.00 0.61 -1.32 0.00 0.00 176.35 175.05 3cwm n GLY 225 N 4.50 1.42 3.43 7.98 0.00 -0.48 -5.01 105.19 117.03 3cwm n GLY 225 Ca -0.02 -0.82 -0.39 0.00 0.00 0.00 0.00 46.02 44.80 3cwm n GLY 225 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3cwm s MET 226 N -0.90 3.26 0.23 1.61 -1.94 -1.26 -0.97 119.30 119.34 3cwm s MET 226 Ca 0.00 -0.77 0.11 0.00 -1.71 0.00 0.00 55.69 53.32 3cwm s MET 226 Cb 0.00 -3.58 -0.05 0.00 2.01 0.00 0.00 34.83 33.21 3cwm s MET 226 CO 0.00 -0.46 -0.20 -0.06 -0.01 0.00 0.00 175.02 174.29 3cwm s PHE 227 N 1.60 2.15 -1.12 -0.03 0.08 0.68 -4.79 117.98 116.55 3cwm s PHE 227 Ca 0.04 -0.39 -0.20 0.00 0.12 0.00 0.00 56.93 56.51 3cwm s PHE 227 Cb -0.17 -0.99 0.08 0.00 -0.57 0.00 0.00 43.02 41.37 3cwm s PHE 227 CO 0.06 0.57 1.50 1.21 -0.10 0.00 0.00 175.22 178.46 3cwm s ASN 228 N -3.17 6.69 -0.02 1.36 3.04 -1.26 0.26 114.94 121.85 3cwm s ASN 228 Ca 0.25 -2.03 -0.01 0.00 0.04 0.00 0.00 52.86 51.10 3cwm s ASN 228 Cb -0.05 -2.53 0.01 0.00 -1.54 0.00 0.00 41.25 37.14 3cwm s ASN 228 CO 0.12 -1.25 0.04 -0.51 -3.04 0.00 0.00 177.10 172.45 3cwm s ILE 229 N 4.04 -0.01 -0.04 -5.21 2.07 -1.26 -2.09 121.20 118.69 3cwm s ILE 229 Ca 0.46 0.05 -0.27 0.00 -1.41 0.00 0.00 60.65 59.48 3cwm s ILE 229 Cb 0.00 -0.07 0.06 0.00 0.13 0.00 0.00 42.46 42.59 3cwm s ILE 229 CO -0.03 0.02 0.60 0.00 -1.91 0.00 0.00 174.94 173.62 3cwm s GLN 230 N 0.28 0.97 0.06 3.50 0.00 -1.01 -4.71 119.66 118.75 3cwm s GLN 230 Ca -0.02 0.16 0.00 0.00 -0.00 0.00 0.00 55.36 55.50 3cwm s GLN 230 Cb -0.03 0.45 0.01 0.00 0.00 0.00 0.00 33.01 33.44 3cwm s GLN 230 CO -0.01 -0.30 0.08 1.58 0.00 0.00 0.00 175.29 176.65 3cwm n HIS 231 N 0.99 -3.27 0.00 9.60 -0.00 -1.26 -0.74 115.22 120.55 3cwm n HIS 231 Ca -0.20 -0.16 0.00 0.00 0.46 0.00 0.00 57.72 57.83 3cwm n HIS 231 Cb 0.57 -0.06 0.00 0.00 -0.12 0.00 0.00 29.99 30.38 3cwm n HIS 231 CO 0.00 0.00 0.00 1.63 0.46 0.00 0.00 176.34 178.43 3cwm n LYS 233 N -1.15 0.00 -0.12 1.57 5.02 -1.26 -4.98 118.16 117.24 3cwm n LYS 233 Ca 0.01 0.00 -0.05 0.00 -2.02 0.00 0.00 58.31 56.26 3cwm n LYS 233 Cb 0.05 -0.45 0.03 0.00 -0.02 0.00 0.00 35.03 34.64 3cwm n LYS 233 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 3cwm h LYS 234 N 0.00 0.14 -0.04 1.97 3.64 -2.06 -1.11 116.57 119.12 3cwm h LYS 234 Ca 0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 3cwm h LYS 234 Cb 0.00 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.79 3cwm h LYS 234 CO 0.00 0.09 0.00 1.28 -2.27 0.00 0.00 179.45 178.55 3cwm n LEU 235 N -5.16 0.81 -4.23 5.20 4.77 -1.26 -4.96 117.00 112.17 3cwm n LEU 235 Ca 0.03 -0.30 -0.32 0.00 -0.03 0.00 0.00 56.01 55.39 3cwm n LEU 235 Cb 0.20 -0.02 -0.07 0.00 -2.33 0.00 0.00 43.42 41.20 3cwm n LEU 235 CO 0.21 0.15 -0.41 -1.20 -1.33 0.00 0.00 177.39 174.81 3cwm n SER 236 N -0.32 0.18 -3.78 -1.43 7.64 -0.42 -4.50 113.62 110.98 3cwm n SER 236 Ca 0.19 -1.24 -0.13 0.00 1.01 0.00 0.00 58.87 58.70 3cwm n SER 236 Cb 0.22 -1.83 -0.09 0.00 -1.01 0.00 0.00 64.21 61.50 3cwm n SER 236 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 3cwm s SER 237 N -4.29 -0.17 0.22 6.43 0.01 -1.26 -0.52 113.70 114.12 3cwm s SER 237 Ca 0.06 0.12 -0.30 0.00 1.31 0.00 0.00 55.95 57.14 3cwm s SER 237 Cb -0.03 0.34 -0.09 0.00 0.21 0.00 0.00 66.02 66.46 3cwm s SER 237 CO 0.98 -0.37 1.06 0.26 0.41 0.00 0.00 173.24 175.58 3cwm s TRP 238 N -1.09 3.68 -0.15 2.43 0.52 -0.23 -4.46 118.94 119.64 3cwm s TRP 238 Ca -0.11 1.71 0.00 0.00 0.02 0.00 0.00 56.10 57.72 3cwm s TRP 238 Cb -0.05 -3.21 0.03 0.00 -1.15 0.00 0.00 33.47 29.09 3cwm s TRP 238 CO 0.03 -0.33 -0.11 0.08 0.02 0.00 0.00 176.95 176.63 3cwm s VAL 239 N -0.75 1.44 -0.07 4.03 1.01 0.08 -0.57 120.40 125.57 3cwm s VAL 239 Ca 0.46 -0.63 0.05 0.00 0.00 0.00 0.00 61.98 61.85 3cwm s VAL 239 Cb -0.29 -1.42 -0.00 0.00 0.00 0.00 0.00 36.38 34.66 3cwm s VAL 239 CO 0.36 0.36 -0.23 -0.22 0.00 0.00 0.00 175.10 175.38 3cwm s LEU 240 N 1.53 2.03 -0.13 3.92 2.96 -0.11 -2.42 118.68 126.46 3cwm s LEU 240 Ca 0.04 -0.50 0.02 0.00 -0.22 0.00 0.00 54.13 53.47 3cwm s LEU 240 Cb -0.14 -1.31 0.00 0.00 0.50 0.00 0.00 46.19 45.25 3cwm s LEU 240 CO -0.10 0.19 -0.21 -0.76 -1.32 0.00 0.00 176.35 174.16 3cwm s LEU 241 N 0.09 2.20 -0.03 -0.68 1.02 -0.89 0.48 118.68 120.87 3cwm s LEU 241 Ca -0.10 -0.56 0.03 0.00 0.02 0.00 0.00 54.13 53.53 3cwm s LEU 241 Cb -0.15 -1.46 0.00 0.00 0.02 0.00 0.00 46.19 44.60 3cwm s LEU 241 CO 0.05 0.11 -0.11 -0.04 0.02 0.00 0.00 176.35 176.38 3cwm s MET 242 N 0.65 1.18 0.21 1.70 -1.94 -0.08 -4.29 119.30 116.73 3cwm s MET 242 Ca -0.10 -0.39 -0.16 0.00 -1.71 0.00 0.00 55.69 53.33 3cwm s MET 242 Cb -0.16 -1.07 -0.08 0.00 2.01 0.00 0.00 34.83 35.53 3cwm s MET 242 CO 0.02 0.15 0.64 0.15 -0.01 0.00 0.00 175.02 175.98 3cwm s LYS 243 N 0.14 4.07 0.19 2.03 1.02 -1.26 -0.16 119.74 125.77 3cwm s LYS 243 Ca -0.03 0.65 0.04 0.00 0.02 0.00 0.00 55.97 56.64 3cwm s LYS 243 Cb -0.09 -2.81 -0.03 0.00 -0.52 0.00 0.00 37.83 34.37 3cwm s LYS 243 CO 0.01 0.38 0.31 0.71 -0.92 0.00 0.00 175.35 175.85 3cwm s TYR 244 N -1.59 3.46 0.61 3.18 1.51 -0.25 -1.68 117.35 122.58 3cwm s TYR 244 Ca 0.43 0.05 -0.19 0.00 -1.01 0.00 0.00 57.07 56.35 3cwm s TYR 244 Cb -0.15 -1.62 -0.03 0.00 -0.11 0.00 0.00 41.96 40.06 3cwm s TYR 244 CO 0.20 0.48 1.25 -0.51 -1.11 0.00 0.00 175.55 175.86 3cwm s LEU 245 N -3.58 3.65 0.06 -1.29 1.02 0.28 -4.23 118.68 114.59 3cwm s LEU 245 Ca 0.34 2.50 0.00 0.00 0.02 0.00 0.00 54.13 56.99 3cwm s LEU 245 Cb -0.10 -4.58 0.00 0.00 0.02 0.00 0.00 46.19 41.53 3cwm s LEU 245 CO 0.29 -1.73 0.00 0.61 0.02 0.00 0.00 176.35 175.54 3cwm n GLY 246 N 0.67 -1.68 2.99 -3.19 0.00 -1.26 -4.17 105.19 98.55 3cwm n GLY 246 Ca 0.14 -1.46 -0.35 0.00 0.00 0.00 0.00 46.02 44.35 3cwm n GLY 246 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3cwm n ASN 247 N -2.08 4.33 -4.09 1.61 5.03 -1.26 -4.91 115.26 113.89 3cwm n ASN 247 Ca -0.00 -3.21 -0.07 0.00 0.87 0.00 0.00 54.58 52.16 3cwm n ASN 247 Cb 0.10 -1.01 -0.10 0.00 -1.02 0.00 0.00 39.78 37.75 3cwm n ASN 247 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3cwm s ALA 248 N -1.70 0.55 -0.03 5.41 0.00 -1.26 -0.64 121.76 124.09 3cwm s ALA 248 Ca 0.30 -1.24 0.01 0.00 0.00 0.00 0.00 51.96 51.02 3cwm s ALA 248 Cb -0.02 0.37 0.02 0.00 0.00 0.00 0.00 23.12 23.49 3cwm s ALA 248 CO -0.09 -0.39 -0.02 0.99 0.00 0.00 0.00 175.76 176.25 3cwm s THR 249 N -3.94 0.28 -0.15 0.00 2.01 0.08 -1.09 115.64 112.83 3cwm s THR 249 Ca 0.10 0.01 -0.17 0.00 0.31 0.00 0.00 61.69 61.94 3cwm s THR 249 Cb 0.08 -0.34 -0.04 0.00 0.01 0.00 0.00 72.50 72.20 3cwm s THR 249 CO -0.08 0.16 0.41 0.00 -0.69 0.00 0.00 174.62 174.42 3cwm s ALA 250 N 0.88 3.52 -0.10 7.40 0.00 0.77 -0.42 121.76 133.81 3cwm s ALA 250 Ca -0.10 -0.32 0.03 0.00 0.00 0.00 0.00 51.96 51.57 3cwm s ALA 250 Cb -0.13 -2.58 0.01 0.00 0.00 0.00 0.00 23.12 20.42 3cwm s ALA 250 CO -0.01 -0.04 -0.20 -1.50 0.00 0.00 0.00 175.76 174.02 3cwm s ILE 251 N 0.73 1.75 -0.07 0.00 2.07 0.12 -0.90 121.20 124.90 3cwm s ILE 251 Ca 0.22 -0.83 0.04 0.00 -1.41 0.00 0.00 60.65 58.67 3cwm s ILE 251 Cb -0.14 -1.54 -0.02 0.00 0.13 0.00 0.00 42.46 40.88 3cwm s ILE 251 CO 0.08 0.49 -0.18 -0.36 -1.91 0.00 0.00 174.94 173.06 3cwm s PHE 252 N 0.57 2.62 -0.18 3.50 0.08 0.18 -1.08 117.98 123.67 3cwm s PHE 252 Ca -0.15 -0.50 0.01 0.00 0.12 0.00 0.00 56.93 56.41 3cwm s PHE 252 Cb -0.17 -1.67 0.02 0.00 -0.57 0.00 0.00 43.02 40.64 3cwm s PHE 252 CO 0.05 -0.07 -0.19 -0.06 -0.10 0.00 0.00 175.22 174.85 3cwm s PHE 253 N -0.24 2.70 -0.44 0.36 0.08 0.11 -0.94 117.98 119.61 3cwm s PHE 253 Ca 0.00 -1.60 -0.02 0.00 0.12 0.00 0.00 56.93 55.43 3cwm s PHE 253 Cb -0.13 -1.88 0.12 0.00 -0.57 0.00 0.00 43.02 40.56 3cwm s PHE 253 CO 0.03 -0.79 0.23 -1.17 -0.10 0.00 0.00 175.22 173.42 3cwm s LEU 254 N 1.31 5.20 0.54 -0.37 2.96 0.26 -1.38 118.68 127.21 3cwm s LEU 254 Ca 0.05 -2.18 -0.20 0.00 -0.22 0.00 0.00 54.13 51.57 3cwm s LEU 254 Cb -0.13 -1.82 -0.05 0.00 0.50 0.00 0.00 46.19 44.69 3cwm s LEU 254 CO -0.13 -0.50 1.21 -2.16 -1.32 0.00 0.00 176.35 173.45 3cwm s PRO 255 N 0.91 3.28 1.02 0.98 0.04 -1.26 -1.07 135.00 138.90 3cwm s PRO 255 Ca 0.10 1.84 -0.12 0.00 0.04 0.00 0.00 61.00 62.86 3cwm s PRO 255 Cb -0.22 -2.12 0.20 0.00 0.04 0.00 0.00 34.50 32.40 3cwm s PRO 255 CO -0.04 -0.96 1.08 -0.51 0.04 0.00 0.00 177.00 176.60 3cwm s ASP 256 N -1.46 2.21 0.12 6.66 1.01 0.32 -4.84 116.67 120.69 3cwm s ASP 256 Ca 0.72 1.67 -0.33 0.00 0.71 0.00 0.00 52.55 55.32 3cwm s ASP 256 Cb -0.30 -2.32 -0.12 0.00 1.01 0.00 0.00 42.92 41.19 3cwm s ASP 256 CO 0.35 -3.46 1.74 1.21 0.21 0.00 0.00 175.17 175.22 3cwm n GLU 257 N -4.43 2.50 -0.78 8.23 4.07 -1.26 -1.25 120.64 127.71 3cwm n GLU 257 Ca 0.06 0.91 0.00 0.00 -0.06 0.00 0.00 57.16 58.07 3cwm n GLU 257 Cb 0.54 -2.75 0.00 0.00 -0.06 0.00 0.00 31.44 29.18 3cwm n GLU 257 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3cwm n GLY 258 N 3.95 0.79 0.40 8.31 0.00 -1.26 -4.92 105.19 112.46 3cwm n GLY 258 Ca 0.18 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.24 3cwm n GLY 258 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3cwm n LYS 259 N -2.29 1.68 -0.05 1.61 4.76 -0.38 -4.66 118.16 118.84 3cwm n LYS 259 Ca 0.00 -1.49 -0.08 0.00 -2.87 0.00 0.00 58.31 53.86 3cwm n LYS 259 Cb 0.00 -1.18 -0.02 0.00 -1.84 0.00 0.00 35.03 32.00 3cwm n LYS 259 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 3cwm h LEU 260 N 1.52 -0.71 -0.41 -0.35 5.85 -1.89 0.12 115.31 119.43 3cwm h LEU 260 Ca 0.00 0.13 -0.15 0.00 0.84 0.00 0.00 57.88 58.70 3cwm h LEU 260 Cb 0.52 0.34 -0.01 0.00 0.37 0.00 0.00 40.66 41.88 3cwm h LEU 260 CO 0.00 -0.26 -0.34 -0.61 -0.34 0.00 0.00 178.44 176.89 3cwm h GLN 261 N -0.23 0.96 -0.14 1.25 5.75 -1.97 0.73 115.11 121.46 3cwm h GLN 261 Ca 0.14 -0.48 0.04 0.00 -0.15 0.00 0.00 58.65 58.20 3cwm h GLN 261 Cb 0.43 0.01 -0.05 0.00 1.07 0.00 0.00 27.48 28.94 3cwm h GLN 261 CO -0.37 1.15 -0.15 1.25 -2.65 0.00 0.00 178.83 178.06 3cwm h HIS 262 N 0.79 -0.37 -0.09 3.99 2.76 -1.81 -0.46 115.15 119.97 3cwm h HIS 262 Ca 0.07 0.02 0.04 0.00 -2.20 0.00 0.00 60.37 58.31 3cwm h HIS 262 Cb 0.94 0.19 -0.05 0.00 1.55 0.00 0.00 27.41 30.03 3cwm h HIS 262 CO 0.06 -0.21 -0.23 1.25 -1.30 0.00 0.00 177.93 177.49 3cwm h LEU 263 N -0.17 -0.71 -1.12 0.26 7.12 -0.35 -1.28 115.31 119.06 3cwm h LEU 263 Ca 0.10 0.11 0.15 0.00 0.13 0.00 0.00 57.88 58.37 3cwm h LEU 263 Cb 0.32 0.31 -0.09 0.00 -0.53 0.00 0.00 40.66 40.67 3cwm h LEU 263 CO -0.25 -0.29 0.61 -0.33 -0.13 0.00 0.00 178.44 178.05 3cwm h GLU 264 N -0.32 0.78 -0.09 1.25 5.08 -0.46 -2.28 114.58 118.53 3cwm h GLU 264 Ca 0.09 -0.05 -0.15 0.00 -1.00 0.00 0.00 59.36 58.25 3cwm h GLU 264 Cb 0.45 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 3cwm h GLU 264 CO -0.27 0.52 -0.58 -0.91 -1.00 0.00 0.00 179.01 176.76 3cwm h ASN 265 N 0.81 0.34 0.50 1.42 2.35 -0.25 -3.32 115.58 117.42 3cwm h ASN 265 Ca 0.51 -0.19 0.00 0.00 -0.55 0.00 0.00 56.30 56.07 3cwm h ASN 265 Cb 0.72 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.99 3cwm h ASN 265 CO -0.28 0.85 -0.46 -0.62 -1.65 0.00 0.00 177.43 175.27 3cwm n GLU 266 N -3.90 0.07 -1.96 0.81 -0.58 -0.56 -4.91 120.64 109.62 3cwm n GLU 266 Ca -0.02 -0.04 -0.41 0.00 -0.42 0.00 0.00 57.16 56.26 3cwm n GLU 266 Cb 0.61 -1.50 -0.02 0.00 -0.57 0.00 0.00 31.44 29.96 3cwm n GLU 266 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 3cwm s LEU 267 N -2.96 4.38 0.14 -4.62 1.43 -1.11 -5.03 118.68 110.91 3cwm s LEU 267 Ca 0.12 2.77 -0.02 0.00 -1.03 0.00 0.00 54.13 55.97 3cwm s LEU 267 Cb 0.18 -3.63 -0.04 0.00 0.03 0.00 0.00 46.19 42.73 3cwm s LEU 267 CO 0.68 -0.73 0.08 0.42 0.23 0.00 0.00 176.35 177.03 3cwm s THR 268 N -0.31 0.09 0.11 5.49 -4.23 -1.26 -5.06 115.64 110.47 3cwm s THR 268 Ca 0.58 -1.87 -0.19 0.00 -1.18 0.00 0.00 61.69 59.02 3cwm s THR 268 Cb -0.43 -2.07 -0.06 0.00 1.34 0.00 0.00 72.50 71.28 3cwm s THR 268 CO 0.48 -0.41 1.71 -0.74 -0.54 0.00 0.00 174.62 175.12 3cwm h HIS 269 N 2.81 0.32 -0.88 3.99 2.76 -1.95 -2.84 115.15 119.36 3cwm h HIS 269 Ca -0.35 -0.01 0.13 0.00 -2.20 0.00 0.00 60.37 57.95 3cwm h HIS 269 Cb 1.21 -0.10 -0.07 0.00 1.55 0.00 0.00 27.41 30.00 3cwm h HIS 269 CO 0.42 0.28 0.57 -0.44 -1.30 0.00 0.00 177.93 177.46 3cwm h ASP 270 N 0.27 0.68 0.47 3.26 3.45 -1.98 0.37 116.42 122.94 3cwm h ASP 270 Ca 0.08 0.04 -0.02 0.00 0.43 0.00 0.00 57.03 57.55 3cwm h ASP 270 Cb 0.06 -0.10 0.00 0.00 -0.56 0.00 0.00 39.33 38.74 3cwm h ASP 270 CO -0.01 0.36 -0.23 0.40 -1.57 0.00 0.00 179.24 178.19 3cwm h ILE 271 N 0.73 0.49 -0.46 0.35 2.04 -1.94 -0.73 117.51 117.99 3cwm h ILE 271 Ca 0.43 -0.31 0.09 0.00 1.00 0.00 0.00 64.86 66.08 3cwm h ILE 271 Cb 0.64 0.62 -0.10 0.00 -0.74 0.00 0.00 36.82 37.24 3cwm h ILE 271 CO -0.19 0.05 -0.29 0.40 0.00 0.00 0.00 178.15 178.12 3cwm h ILE 272 N -0.83 0.26 -0.76 -0.67 1.08 -1.17 0.02 117.51 115.44 3cwm h ILE 272 Ca -0.07 0.00 0.17 0.00 -0.39 0.00 0.00 64.86 64.58 3cwm h ILE 272 Cb 0.57 0.26 -0.13 0.00 -3.07 0.00 0.00 36.82 34.45 3cwm h ILE 272 CO 0.11 0.00 0.02 0.74 -0.69 0.00 0.00 178.15 178.32 3cwm h THR 273 N -0.19 0.35 -0.64 -0.27 2.02 -0.89 -2.01 112.91 111.27 3cwm h THR 273 Ca 0.20 -0.04 -0.01 0.00 0.77 0.00 0.00 66.41 67.33 3cwm h THR 273 Cb 0.52 0.23 -0.03 0.00 -1.74 0.00 0.00 68.15 67.12 3cwm h THR 273 CO -0.57 0.02 0.34 0.11 0.37 0.00 0.00 175.52 175.79 3cwm h LYS 274 N 0.11 0.89 -0.23 6.66 1.57 0.57 -2.23 116.57 123.91 3cwm h LYS 274 Ca 0.42 -0.10 -0.16 0.00 -1.87 0.00 0.00 60.65 58.94 3cwm h LYS 274 Cb 0.73 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.86 3cwm h LYS 274 CO -0.66 0.67 -0.51 0.74 -0.57 0.00 0.00 179.45 179.12 3cwm h PHE 275 N 0.90 0.79 0.00 -1.35 0.04 -0.77 -3.06 116.94 113.48 3cwm h PHE 275 Ca 0.23 -0.27 -0.07 0.00 2.80 0.00 0.00 57.97 60.66 3cwm h PHE 275 Cb 0.04 -0.15 -0.01 0.00 2.20 0.00 0.00 35.95 38.03 3cwm h PHE 275 CO 0.01 1.01 -0.35 -0.07 -0.60 0.00 0.00 178.31 178.31 3cwm h LEU 276 N 0.50 0.00 -0.98 1.54 3.38 -1.06 -2.99 115.31 115.70 3cwm h LEU 276 Ca 0.02 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.88 3cwm h LEU 276 Cb 1.06 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.79 3cwm h LEU 276 CO 0.10 0.35 -0.51 -0.33 0.09 0.00 0.00 178.44 178.14 3cwm h GLU 277 N 0.00 0.00 -5.15 1.13 5.08 -1.31 -3.43 114.58 110.90 3cwm h GLU 277 Ca -0.00 0.00 -0.62 0.00 -1.00 0.00 0.00 59.36 57.73 3cwm h GLU 277 Cb 0.74 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 29.85 3cwm h GLU 277 CO 0.04 0.51 -0.33 1.21 -1.00 0.00 0.00 179.01 179.44 3cwm s ASN 278 N -6.87 6.22 -0.11 1.42 3.84 -1.13 -4.95 114.94 113.35 3cwm s ASN 278 Ca -0.02 0.25 0.15 0.00 0.21 0.00 0.00 52.86 53.44 3cwm s ASN 278 Cb 0.13 -2.18 0.50 0.00 -0.55 0.00 0.00 41.25 39.15 3cwm s ASN 278 CO 0.74 -0.09 1.41 -0.62 -2.79 0.00 0.00 177.10 175.75 3cwm n GLU 279 N 4.92 3.12 -1.64 0.43 1.02 -1.26 -4.96 120.64 122.27 3cwm n GLU 279 Ca -0.11 -2.60 -0.46 0.00 -0.02 0.00 0.00 57.16 53.98 3cwm n GLU 279 Cb 0.51 -1.68 -0.03 0.00 -0.02 0.00 0.00 31.44 30.22 3cwm n GLU 279 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3cwm n ASP 280 N 0.13 2.24 -4.39 1.62 8.00 -1.26 -4.97 116.55 117.92 3cwm n ASP 280 Ca 0.19 1.15 -0.31 0.00 0.71 0.00 0.00 54.79 56.53 3cwm n ASP 280 Cb 0.75 -1.36 -0.14 0.00 -0.02 0.00 0.00 41.12 40.35 3cwm n ASP 280 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 3cwm s ARG 281 N -0.51 2.06 0.12 -1.24 0.52 -1.26 -4.38 118.95 114.26 3cwm s ARG 281 Ca 0.69 -0.97 0.02 0.00 -0.52 0.00 0.00 55.73 54.94 3cwm s ARG 281 Cb -0.71 -2.11 -0.04 0.00 0.52 0.00 0.00 34.95 32.60 3cwm s ARG 281 CO 0.51 0.55 -0.04 -0.98 0.02 0.00 0.00 175.30 175.37 3cwm s ARG 282 N -1.06 0.92 0.11 3.54 1.70 0.14 -4.87 118.95 119.43 3cwm s ARG 282 Ca 0.12 -1.40 -0.31 0.00 -0.47 0.00 0.00 55.73 53.67 3cwm s ARG 282 Cb -0.10 -0.19 -0.07 0.00 -0.57 0.00 0.00 34.95 34.01 3cwm s ARG 282 CO 0.02 -0.07 1.35 0.45 -1.08 0.00 0.00 175.30 175.97 3cwm s SER 283 N -3.08 6.88 -0.13 -2.89 0.15 -1.26 -0.23 113.70 113.13 3cwm s SER 283 Ca 0.16 2.27 -0.29 0.00 0.70 0.00 0.00 55.95 58.79 3cwm s SER 283 Cb 0.06 -2.59 0.08 0.00 -1.71 0.00 0.00 66.02 61.87 3cwm s SER 283 CO -0.02 -0.61 0.77 0.00 1.20 0.00 0.00 173.24 174.58 3cwm s ALA 284 N 1.07 -1.82 -0.64 5.45 0.00 -0.14 -4.32 121.76 121.36 3cwm s ALA 284 Ca 0.63 1.55 -0.16 0.00 0.00 0.00 0.00 51.96 53.98 3cwm s ALA 284 Cb -0.35 -0.47 0.15 0.00 0.00 0.00 0.00 23.12 22.44 3cwm s ALA 284 CO 0.30 -0.34 0.64 0.45 0.00 0.00 0.00 175.76 176.81 3cwm s SER 285 N -0.75 6.35 -0.08 0.00 0.15 0.40 -1.38 113.70 118.39 3cwm s SER 285 Ca -0.06 -1.95 -0.15 0.00 0.70 0.00 0.00 55.95 54.49 3cwm s SER 285 Cb -0.01 -2.24 -0.05 0.00 -1.71 0.00 0.00 66.02 62.01 3cwm s SER 285 CO 0.06 -0.86 0.40 -0.22 1.20 0.00 0.00 173.24 173.82 3cwm s LEU 286 N 1.54 4.36 -0.19 3.45 2.96 -0.71 -1.48 118.68 128.60 3cwm s LEU 286 Ca 0.10 0.80 -0.03 0.00 -0.22 0.00 0.00 54.13 54.78 3cwm s LEU 286 Cb -0.23 -2.56 -0.01 0.00 0.50 0.00 0.00 46.19 43.89 3cwm s LEU 286 CO 0.00 0.17 -0.06 -1.00 -1.32 0.00 0.00 176.35 174.14 3cwm s HIS 287 N -0.17 2.94 -0.04 5.38 3.76 -0.55 -2.33 115.29 124.28 3cwm s HIS 287 Ca 0.23 -0.74 -0.00 0.00 -0.15 0.00 0.00 55.06 54.39 3cwm s HIS 287 Cb -0.15 -2.02 0.03 0.00 1.11 0.00 0.00 32.58 31.54 3cwm s HIS 287 CO 0.10 -0.37 0.00 -1.17 -0.85 0.00 0.00 174.74 172.45 3cwm s LEU 288 N 1.02 0.95 0.34 0.89 2.96 -0.28 0.14 118.68 124.69 3cwm s LEU 288 Ca 0.00 -0.04 -0.28 0.00 -0.22 0.00 0.00 54.13 53.59 3cwm s LEU 288 Cb -0.15 -0.29 -0.10 0.00 0.50 0.00 0.00 46.19 46.15 3cwm s LEU 288 CO -0.00 -0.13 1.26 -2.16 -1.32 0.00 0.00 176.35 174.00 3cwm s PRO 289 N 1.34 4.33 0.20 0.98 0.04 -1.26 0.09 135.00 140.72 3cwm s PRO 289 Ca -0.05 2.12 -0.30 0.00 0.04 0.00 0.00 61.00 62.81 3cwm s PRO 289 Cb -0.13 -3.02 -0.09 0.00 0.04 0.00 0.00 34.50 31.30 3cwm s PRO 289 CO -0.02 -0.17 1.30 0.21 0.04 0.00 0.00 177.00 178.35 3cwm s LYS 290 N -1.84 4.40 0.20 4.56 2.20 -0.04 -4.78 119.74 124.44 3cwm s LYS 290 Ca 0.50 2.04 -0.19 0.00 -0.36 0.00 0.00 55.97 57.96 3cwm s LYS 290 Cb -0.38 -3.20 0.03 0.00 -1.51 0.00 0.00 37.83 32.78 3cwm s LYS 290 CO 0.50 -0.23 0.56 -0.48 -0.36 0.00 0.00 175.35 175.33 3cwm s LEU 291 N -0.17 -0.05 -0.15 5.43 2.34 0.12 -4.69 118.68 121.52 3cwm s LEU 291 Ca 0.56 -0.45 -0.04 0.00 0.06 0.00 0.00 54.13 54.25 3cwm s LEU 291 Cb -0.36 2.27 0.05 0.00 -0.56 0.00 0.00 46.19 47.60 3cwm s LEU 291 CO 0.38 -1.09 0.08 -0.55 -1.06 0.00 0.00 176.35 174.11 3cwm s SER 292 N -2.87 2.14 0.06 1.48 0.15 -1.26 0.36 113.70 113.76 3cwm s SER 292 Ca 0.09 -0.48 0.05 0.00 0.70 0.00 0.00 55.95 56.30 3cwm s SER 292 Cb -0.02 -0.25 -0.03 0.00 -1.71 0.00 0.00 66.02 64.02 3cwm s SER 292 CO -0.02 -0.33 -0.14 0.27 1.20 0.00 0.00 173.24 174.23 3cwm s ILE 293 N 2.13 1.06 -0.02 6.45 -4.36 0.08 -4.99 121.20 121.55 3cwm s ILE 293 Ca 0.02 -1.21 0.03 0.00 -0.26 0.00 0.00 60.65 59.23 3cwm s ILE 293 Cb -0.15 -1.01 -0.00 0.00 1.25 0.00 0.00 42.46 42.54 3cwm s ILE 293 CO -0.08 -0.18 -0.10 0.42 0.24 0.00 0.00 174.94 175.24 3cwm s THR 294 N -1.18 0.80 -0.16 8.37 -4.23 -1.26 -0.41 115.64 117.58 3cwm s THR 294 Ca -0.02 -0.41 -0.00 0.00 -1.18 0.00 0.00 61.69 60.09 3cwm s THR 294 Cb -0.09 -0.69 -0.00 0.00 1.34 0.00 0.00 72.50 73.05 3cwm s THR 294 CO 0.02 0.24 -0.15 -0.83 -0.54 0.00 0.00 174.62 173.36 3cwm s GLY 295 N -0.04 1.48 -0.21 3.99 0.00 0.05 -4.80 107.32 107.78 3cwm s GLY 295 Ca 0.01 -1.07 -0.04 0.00 0.00 0.00 0.00 44.72 43.62 3cwm s GLY 295 CO 0.00 0.08 -0.05 -1.59 0.00 0.00 0.00 173.10 171.54 3cwm s THR 296 N 0.90 3.36 -0.02 0.90 2.01 -1.26 -0.95 115.64 120.59 3cwm s THR 296 Ca -0.04 -0.50 0.03 0.00 0.31 0.00 0.00 61.69 61.50 3cwm s THR 296 Cb -0.15 -2.52 -0.00 0.00 0.01 0.00 0.00 72.50 69.84 3cwm s THR 296 CO -0.01 0.43 -0.12 -0.31 -0.69 0.00 0.00 174.62 173.92 3cwm s TYR 297 N 1.37 1.19 -0.49 4.92 2.02 0.57 -5.01 117.35 121.92 3cwm s TYR 297 Ca 0.04 -0.28 -0.22 0.00 -0.37 0.00 0.00 57.07 56.24 3cwm s TYR 297 Cb -0.14 -0.81 0.04 0.00 -0.40 0.00 0.00 41.96 40.65 3cwm s TYR 297 CO -0.03 -0.08 0.79 0.34 -1.57 0.00 0.00 175.55 175.00 3cwm s ASP 298 N -0.03 6.34 0.36 2.29 -1.08 -1.26 -1.26 116.67 122.03 3cwm s ASP 298 Ca -0.00 -0.36 0.19 0.00 -0.52 0.00 0.00 52.55 51.86 3cwm s ASP 298 Cb -0.08 -2.38 0.54 0.00 -1.46 0.00 0.00 42.92 39.54 3cwm s ASP 298 CO 0.00 -1.00 1.66 -0.07 0.52 0.00 0.00 175.17 176.29 3cwm h LEU 299 N 10.28 0.00 -0.19 -1.34 3.38 -1.31 0.29 115.31 126.43 3cwm h LEU 299 Ca -0.26 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.73 3cwm h LEU 299 Cb 1.08 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.82 3cwm h LEU 299 CO 1.00 0.36 0.08 0.50 0.09 0.00 0.00 178.44 180.47 3cwm h LYS 300 N 0.00 0.17 0.36 1.13 3.64 -1.92 0.27 116.57 120.23 3cwm h LYS 300 Ca -0.00 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.35 3cwm h LYS 300 Cb 1.02 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.80 3cwm h LYS 300 CO 0.05 0.11 -0.17 1.03 -2.27 0.00 0.00 179.45 178.20 3cwm h SER 301 N 0.18 -0.41 0.17 4.20 0.87 -1.84 -2.22 113.55 114.49 3cwm h SER 301 Ca 0.08 -0.14 -0.01 0.00 -1.23 0.00 0.00 61.79 60.49 3cwm h SER 301 Cb 0.03 0.11 0.00 0.00 -0.44 0.00 0.00 62.40 62.10 3cwm h SER 301 CO -0.07 0.01 -0.08 0.58 -0.53 0.00 0.00 176.83 176.74 3cwm h VAL 302 N -0.94 0.89 0.00 2.23 2.07 -0.96 -2.38 116.25 117.16 3cwm h VAL 302 Ca -0.05 -0.28 -0.02 0.00 0.82 0.00 0.00 66.70 67.18 3cwm h VAL 302 Cb 0.53 1.07 -0.00 0.00 -1.52 0.00 0.00 31.29 31.37 3cwm h VAL 302 CO 0.08 0.07 -0.08 -0.07 0.02 0.00 0.00 177.57 177.58 3cwm h LEU 303 N -0.36 0.00 -0.80 2.57 3.38 -0.61 -2.22 115.31 117.27 3cwm h LEU 303 Ca -0.02 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.96 3cwm h LEU 303 Cb 0.28 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.99 3cwm h LEU 303 CO 0.04 0.08 0.53 1.23 0.09 0.00 0.00 178.44 180.41 3cwm h GLY 304 N 2.16 1.13 2.00 0.83 0.00 -1.01 -0.83 103.07 107.35 3cwm h GLY 304 Ca -0.00 -0.42 -0.03 0.00 0.00 0.00 0.00 47.33 46.89 3cwm h GLY 304 CO 0.01 0.40 -0.12 1.46 0.00 0.00 0.00 176.54 178.29 3cwm h GLN 305 N 1.07 0.00 -0.25 4.80 1.08 -0.90 -2.67 115.11 118.24 3cwm h GLN 305 Ca 0.30 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.50 3cwm h GLN 305 Cb -0.11 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.32 3cwm h GLN 305 CO -0.07 0.12 0.00 1.28 -0.95 0.00 0.00 178.83 179.21 3cwm n LEU 306 N -3.87 1.98 0.00 1.46 4.77 -0.79 -4.91 117.00 115.64 3cwm n LEU 306 Ca -0.02 -0.88 0.00 0.00 -0.03 0.00 0.00 56.01 55.08 3cwm n LEU 306 Cb 0.22 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 3cwm n LEU 306 CO 0.32 0.44 0.00 0.61 -1.33 0.00 0.00 177.39 177.42 3cwm n GLY 307 N 1.17 1.03 3.20 -0.72 0.00 -1.00 -4.60 105.19 104.27 3cwm n GLY 307 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 3cwm n GLY 307 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3cwm s ILE 308 N -2.00 4.40 0.00 -0.61 1.01 -0.39 -4.79 121.20 118.82 3cwm s ILE 308 Ca 0.00 -2.38 0.00 0.00 0.00 0.00 0.00 60.65 58.27 3cwm s ILE 308 Cb 0.00 -3.83 0.00 0.00 0.01 0.00 0.00 42.46 38.64 3cwm s ILE 308 CO 0.00 -0.88 0.00 0.35 0.00 0.00 0.00 174.94 174.41 3cwm n THR 309 N 4.16 0.00 -0.07 2.92 -2.24 -1.26 -3.31 114.28 114.47 3cwm n THR 309 Ca 0.03 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.74 3cwm n THR 309 Cb 0.41 -0.52 -0.01 0.00 -2.10 0.00 0.00 70.33 68.11 3cwm n THR 309 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 3cwm h LYS 310 N 0.00 0.20 0.00 -0.78 3.64 -1.93 -1.29 116.57 116.41 3cwm h LYS 310 Ca 0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 3cwm h LYS 310 Cb 0.89 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.67 3cwm h LYS 310 CO 0.00 0.13 0.00 -0.24 -2.27 0.00 0.00 179.45 177.07 3cwm h VAL 311 N 0.21 0.00 -0.02 2.00 3.04 -1.89 -1.15 116.25 118.43 3cwm h VAL 311 Ca 0.12 -0.03 0.00 0.00 -1.01 0.00 0.00 66.70 65.78 3cwm h VAL 311 Cb 0.10 0.57 0.00 0.00 -2.01 0.00 0.00 31.29 29.94 3cwm h VAL 311 CO -0.13 0.00 -0.24 0.49 -1.01 0.00 0.00 177.57 176.68 3cwm n PHE 312 N -2.31 0.00 -4.48 3.17 3.72 -0.50 -2.21 117.46 114.85 3cwm n PHE 312 Ca -0.01 0.00 -0.28 0.00 -0.05 0.00 0.00 57.45 57.11 3cwm n PHE 312 Cb 0.06 -0.00 -0.09 0.00 -0.94 0.00 0.00 39.48 38.51 3cwm n PHE 312 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 3cwm s SER 313 N -2.25 4.13 0.61 4.37 1.04 -0.44 -4.69 113.70 116.47 3cwm s SER 313 Ca 0.23 -1.36 0.32 0.00 0.48 0.00 0.00 55.95 55.63 3cwm s SER 313 Cb 0.19 -0.14 1.90 0.00 0.10 0.00 0.00 66.02 68.08 3cwm s SER 313 CO 0.44 -0.62 2.24 0.78 0.98 0.00 0.00 173.24 177.07 3cwm h ASN 314 N 1.51 0.00 0.15 7.02 2.35 -1.93 -1.69 115.58 122.99 3cwm h ASN 314 Ca -0.43 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.32 3cwm h ASN 314 Cb 1.27 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.64 3cwm h ASN 314 CO 0.75 0.00 -0.02 0.61 -1.65 0.00 0.00 177.43 177.12 3cwm n GLY 315 N -1.29 -0.86 3.64 2.83 0.00 -1.26 -4.89 105.19 103.36 3cwm n GLY 315 Ca -0.02 -0.25 -0.50 0.00 0.00 0.00 0.00 46.02 45.25 3cwm n GLY 315 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cwm n ALA 316 N -0.83 0.27 -3.01 4.61 0.00 -0.64 -4.91 120.51 116.00 3cwm n ALA 316 Ca 0.20 0.45 -0.44 0.00 0.00 0.00 0.00 53.44 53.65 3cwm n ALA 316 Cb 0.20 -2.25 -0.02 0.00 0.00 0.00 0.00 19.45 17.39 3cwm n ALA 316 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3cwm s ASP 317 N 1.30 6.72 -0.34 0.00 -1.08 -1.26 -4.70 116.67 117.31 3cwm s ASP 317 Ca 0.84 -2.30 0.08 0.00 -0.52 0.00 0.00 52.55 50.65 3cwm s ASP 317 Cb -0.82 -2.36 0.60 0.00 -1.46 0.00 0.00 42.92 38.88 3cwm s ASP 317 CO 0.45 -0.92 1.67 0.18 0.52 0.00 0.00 175.17 177.07 3cwm n LEU 318 N 5.90 5.33 0.20 -1.34 4.77 -1.26 -2.94 117.00 127.66 3cwm n LEU 318 Ca 0.24 -3.57 0.14 0.00 -0.03 0.00 0.00 56.01 52.79 3cwm n LEU 318 Cb 0.48 -0.72 0.67 0.00 -2.33 0.00 0.00 43.42 41.52 3cwm n LEU 318 CO 0.49 1.07 0.92 0.77 -1.33 0.00 0.00 177.39 179.30 3cwm h SER 319 N 1.33 0.00 1.38 -1.43 4.64 -1.66 0.36 113.55 118.17 3cwm h SER 319 Ca 0.36 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.66 3cwm h SER 319 Cb 2.18 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 64.26 3cwm h SER 319 CO 0.68 0.00 -0.09 1.23 -0.87 0.00 0.00 176.83 177.78 3cwm h GLY 320 N 1.02 0.00 0.07 -0.77 0.00 -1.76 -3.27 103.07 98.37 3cwm h GLY 320 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.11 3cwm h GLY 320 CO 0.00 0.00 -1.22 -2.08 0.00 0.00 0.00 176.54 173.24 3cwm h VAL 321 N 0.00 0.97 -3.58 4.60 2.07 -0.24 -3.40 116.25 116.67 3cwm h VAL 321 Ca -0.00 -2.21 -0.27 0.00 0.82 0.00 0.00 66.70 65.03 3cwm h VAL 321 Cb 0.81 2.36 -0.32 0.00 -1.52 0.00 0.00 31.29 32.62 3cwm h VAL 321 CO 0.01 0.40 -0.72 0.28 0.02 0.00 0.00 177.57 177.56 3cwm s THR 322 N -2.37 -0.04 0.04 2.57 -1.32 -0.78 -0.90 115.64 112.84 3cwm s THR 322 Ca -0.27 0.14 -0.17 0.00 -1.21 0.00 0.00 61.69 60.18 3cwm s THR 322 Cb 0.05 -0.06 -0.19 0.00 -1.51 0.00 0.00 72.50 70.79 3cwm s THR 322 CO 0.62 0.06 1.21 -0.33 -2.21 0.00 0.00 174.62 173.97 3cwm h GLU 323 N 6.91 0.55 0.00 7.08 5.08 -1.74 -3.31 114.58 129.14 3cwm h GLU 323 Ca -0.39 -0.49 -0.20 0.00 -1.00 0.00 0.00 59.36 57.29 3cwm h GLU 323 Cb 1.15 0.11 -0.03 0.00 0.50 0.00 0.00 28.75 30.48 3cwm h GLU 323 CO 0.49 1.11 -1.45 0.39 -1.00 0.00 0.00 179.01 178.55 3cwm n GLU 324 N -4.16 0.54 -2.78 2.33 -0.58 -1.26 -4.89 120.64 109.84 3cwm n GLU 324 Ca -0.09 0.38 -0.39 0.00 -0.42 0.00 0.00 57.16 56.64 3cwm n GLU 324 Cb 0.66 -1.58 -0.06 0.00 -0.57 0.00 0.00 31.44 29.89 3cwm n GLU 324 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3cwm s ALA 325 N -2.62 3.30 0.30 0.62 0.00 -1.26 -5.01 121.76 117.09 3cwm s ALA 325 Ca -0.29 0.57 -0.29 0.00 0.00 0.00 0.00 51.96 51.94 3cwm s ALA 325 Cb 0.07 -3.18 -0.12 0.00 0.00 0.00 0.00 23.12 19.89 3cwm s ALA 325 CO 0.44 0.20 1.39 -0.35 0.00 0.00 0.00 175.76 177.45 3cwm n PRO 326 N 1.16 2.21 -3.78 0.00 -0.04 -1.26 -4.91 135.00 128.38 3cwm n PRO 326 Ca -0.01 0.78 -0.13 0.00 -0.04 0.00 0.00 63.50 64.11 3cwm n PRO 326 Cb 0.48 -2.43 -0.12 0.00 -0.04 0.00 0.00 33.50 31.40 3cwm n PRO 326 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3cwm s LEU 327 N -0.61 1.01 0.03 1.53 2.96 -1.26 -5.15 118.68 117.20 3cwm s LEU 327 Ca 0.61 0.51 -0.01 0.00 -0.22 0.00 0.00 54.13 55.02 3cwm s LEU 327 Cb -0.58 0.86 -0.02 0.00 0.50 0.00 0.00 46.19 46.94 3cwm s LEU 327 CO 0.56 -0.09 -0.01 -1.59 -1.32 0.00 0.00 176.35 173.89 3cwm s LYS 328 N 0.18 0.42 -0.48 1.98 -2.85 -1.26 -4.56 119.74 113.17 3cwm s LYS 328 Ca -0.00 -0.78 -0.28 0.00 -1.00 0.00 0.00 55.97 53.91 3cwm s LYS 328 Cb -0.02 0.15 0.01 0.00 -2.06 0.00 0.00 37.83 35.91 3cwm s LYS 328 CO -0.00 -0.08 1.46 -1.17 0.10 0.00 0.00 175.35 175.66 3cwm s LEU 329 N -1.90 3.49 0.09 2.77 2.96 -0.94 -4.15 118.68 121.00 3cwm s LEU 329 Ca -0.09 0.59 -0.14 0.00 -0.22 0.00 0.00 54.13 54.27 3cwm s LEU 329 Cb -0.04 -3.28 -0.16 0.00 0.50 0.00 0.00 46.19 43.20 3cwm s LEU 329 CO -0.04 -1.61 1.29 0.28 -1.32 0.00 0.00 176.35 174.95 3cwm h SER 330 N 11.19 0.87 -3.50 3.68 0.02 -1.06 -3.41 113.55 121.34 3cwm h SER 330 Ca -0.27 -0.63 -0.22 0.00 -0.84 0.00 0.00 61.79 59.83 3cwm h SER 330 Cb 1.11 -0.26 -0.30 0.00 0.14 0.00 0.00 62.40 63.09 3cwm h SER 330 CO 1.13 1.35 -0.55 -0.75 -1.14 0.00 0.00 176.83 176.87 3cwm s LYS 331 N -3.75 0.15 -0.04 3.45 2.20 -1.12 -5.04 119.74 115.59 3cwm s LYS 331 Ca -0.11 0.37 -0.02 0.00 -0.36 0.00 0.00 55.97 55.86 3cwm s LYS 331 Cb 0.08 -0.09 0.03 0.00 -1.51 0.00 0.00 37.83 36.34 3cwm s LYS 331 CO 0.89 -0.13 0.06 0.00 -0.36 0.00 0.00 175.35 175.81 3cwm s ALA 332 N 0.91 0.17 -0.02 3.13 0.00 -1.26 -0.26 121.76 124.44 3cwm s ALA 332 Ca -0.07 0.24 0.06 0.00 0.00 0.00 0.00 51.96 52.19 3cwm s ALA 332 Cb -0.09 -0.55 -0.01 0.00 0.00 0.00 0.00 23.12 22.47 3cwm s ALA 332 CO -0.05 -0.41 -0.20 0.08 0.00 0.00 0.00 175.76 175.18 3cwm s VAL 333 N 1.94 1.60 -0.11 0.00 1.01 -0.35 -0.77 120.40 123.72 3cwm s VAL 333 Ca 0.02 -0.86 0.03 0.00 0.00 0.00 0.00 61.98 61.17 3cwm s VAL 333 Cb -0.12 -1.33 0.01 0.00 0.00 0.00 0.00 36.38 34.93 3cwm s VAL 333 CO -0.03 0.45 -0.21 -2.28 0.00 0.00 0.00 175.10 173.03 3cwm s HIS 334 N -0.42 2.38 -0.13 5.22 2.46 -0.39 -0.17 115.29 124.24 3cwm s HIS 334 Ca 0.06 -1.07 0.00 0.00 0.47 0.00 0.00 55.06 54.52 3cwm s HIS 334 Cb -0.08 -1.63 0.02 0.00 -0.13 0.00 0.00 32.58 30.76 3cwm s HIS 334 CO -0.00 -0.48 -0.12 0.21 -2.47 0.00 0.00 174.74 171.87 3cwm s LYS 335 N 0.64 2.07 -0.10 2.88 2.47 -0.07 -0.32 119.74 127.32 3cwm s LYS 335 Ca -0.12 -0.47 0.04 0.00 -1.56 0.00 0.00 55.97 53.85 3cwm s LYS 335 Cb -0.16 -1.93 -0.00 0.00 -1.46 0.00 0.00 37.83 34.27 3cwm s LYS 335 CO 0.03 -0.22 -0.24 0.00 0.16 0.00 0.00 175.35 175.08 3cwm s ALA 336 N 1.49 2.16 -0.07 3.13 0.00 -0.12 -1.85 121.76 126.49 3cwm s ALA 336 Ca 0.04 -0.97 0.05 0.00 0.00 0.00 0.00 51.96 51.08 3cwm s ALA 336 Cb -0.13 -0.80 -0.00 0.00 0.00 0.00 0.00 23.12 22.19 3cwm s ALA 336 CO -0.09 0.29 -0.23 0.08 0.00 0.00 0.00 175.76 175.81 3cwm s VAL 337 N 0.32 1.95 -0.03 0.00 1.01 0.00 -0.77 120.40 122.87 3cwm s VAL 337 Ca -0.18 -0.99 0.02 0.00 0.00 0.00 0.00 61.98 60.83 3cwm s VAL 337 Cb -0.18 -1.67 0.01 0.00 0.00 0.00 0.00 36.38 34.55 3cwm s VAL 337 CO 0.09 0.54 -0.07 -0.22 0.00 0.00 0.00 175.10 175.43 3cwm s LEU 338 N 0.08 1.63 -0.15 3.92 2.96 0.46 -1.03 118.68 126.55 3cwm s LEU 338 Ca -0.10 -0.17 -0.00 0.00 -0.22 0.00 0.00 54.13 53.64 3cwm s LEU 338 Cb -0.15 -0.51 -0.01 0.00 0.50 0.00 0.00 46.19 46.02 3cwm s LEU 338 CO 0.06 0.02 -0.13 -0.89 -1.32 0.00 0.00 176.35 174.08 3cwm s THR 339 N 0.47 2.90 -0.21 3.68 2.01 -0.75 -0.74 115.64 123.00 3cwm s THR 339 Ca -0.07 -0.70 -0.05 0.00 0.31 0.00 0.00 61.69 61.18 3cwm s THR 339 Cb -0.11 -2.23 -0.02 0.00 0.01 0.00 0.00 72.50 70.15 3cwm s THR 339 CO 0.01 0.51 -0.01 -0.63 -0.69 0.00 0.00 174.62 173.81 3cwm s ILE 340 N 0.66 3.78 0.06 1.82 -1.09 0.16 -4.10 121.20 122.48 3cwm s ILE 340 Ca -0.07 -0.36 0.00 0.00 -2.23 0.00 0.00 60.65 57.99 3cwm s ILE 340 Cb -0.16 -2.72 -0.00 0.00 -1.58 0.00 0.00 42.46 38.01 3cwm s ILE 340 CO 0.02 0.42 0.07 -0.90 -1.23 0.00 0.00 174.94 173.32 3cwm n ASP 341 N 4.49 -0.19 -0.10 3.58 5.68 -1.26 0.16 116.55 128.92 3cwm n ASP 341 Ca -0.17 -1.35 -0.07 0.00 -0.50 0.00 0.00 54.79 52.70 3cwm n ASP 341 Cb 0.51 0.37 0.01 0.00 -1.14 0.00 0.00 41.12 40.88 3cwm n ASP 341 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 3cwm h GLU 342 N 0.00 0.24 -1.12 0.11 3.07 -1.95 -3.43 114.58 111.50 3cwm h GLU 342 Ca -0.04 -0.01 0.16 0.00 -0.50 0.00 0.00 59.36 58.96 3cwm h GLU 342 Cb 0.21 -0.05 -0.24 0.00 -0.84 0.00 0.00 28.75 27.82 3cwm h GLU 342 CO 0.06 0.16 0.23 0.21 -1.40 0.00 0.00 179.01 178.27 3cwm s LYS 343 N -6.16 0.32 0.00 2.33 2.20 -1.26 -1.31 119.74 115.85 3cwm s LYS 343 Ca -0.13 0.76 0.00 0.00 -0.36 0.00 0.00 55.97 56.23 3cwm s LYS 343 Cb 0.12 0.41 0.00 0.00 -1.51 0.00 0.00 37.83 36.85 3cwm s LYS 343 CO 0.71 -0.10 1.08 0.41 -0.36 0.00 0.00 175.35 177.08 3cwm n GLY 344 N 4.83 1.62 3.31 5.54 0.00 -1.14 -4.63 105.19 114.72 3cwm n GLY 344 Ca -0.10 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.78 3cwm n GLY 344 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3cwm s THR 345 N 0.62 0.05 -2.60 2.61 2.01 -1.26 -4.80 115.64 112.26 3cwm s THR 345 Ca 0.00 -0.40 0.24 0.00 0.31 0.00 0.00 61.69 61.84 3cwm s THR 345 Cb 0.00 -0.80 0.19 0.00 0.01 0.00 0.00 72.50 71.89 3cwm s THR 345 CO 0.00 -0.22 1.29 1.21 -0.69 0.00 0.00 174.62 176.21 3cwm n GLU 346 N 0.94 1.86 -5.17 4.92 4.07 -1.26 -4.88 120.64 121.11 3cwm n GLU 346 Ca -0.20 -1.47 -0.32 0.00 -0.06 0.00 0.00 57.16 55.11 3cwm n GLU 346 Cb 0.57 -1.47 -0.16 0.00 -0.06 0.00 0.00 31.44 30.32 3cwm n GLU 346 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3cwm s ALA 347 N -2.16 2.25 0.00 4.31 0.00 -1.26 -5.13 121.76 119.77 3cwm s ALA 347 Ca 0.26 -0.99 0.00 0.00 0.00 0.00 0.00 51.96 51.24 3cwm s ALA 347 Cb 0.20 -0.82 0.00 0.00 0.00 0.00 0.00 23.12 22.50 3cwm s ALA 347 CO 0.39 0.34 0.00 0.00 0.00 0.00 0.00 175.76 176.49 3cwm n ALA 348 N 3.26 0.00 0.00 0.00 0.00 -1.26 -5.02 120.51 117.49 3cwm n ALA 348 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.26 3cwm n ALA 348 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 3cwm n ALA 348 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3cwm n GLY 349 N 5.00 3.87 3.70 0.00 0.00 -1.26 -5.12 105.19 111.39 3cwm n GLY 349 Ca 0.00 -0.58 -0.42 0.00 0.00 0.00 0.00 46.02 45.02 3cwm n GLY 349 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cwm s ALA 350 N -0.01 3.26 -0.07 4.61 0.00 -1.26 -5.05 121.76 123.24 3cwm s ALA 350 Ca 0.00 0.40 0.01 0.00 0.00 0.00 0.00 51.96 52.37 3cwm s ALA 350 Cb 0.00 -3.28 0.02 0.00 0.00 0.00 0.00 23.12 19.86 3cwm s ALA 350 CO 0.00 -0.30 -0.08 1.41 0.00 0.00 0.00 175.76 176.78 3cwm s MET 351 N 1.23 1.36 0.00 0.00 1.75 -1.26 -5.14 119.30 117.25 3cwm s MET 351 Ca 0.48 -0.26 0.00 0.00 -1.25 0.00 0.00 55.69 54.66 3cwm s MET 351 Cb -0.20 -1.27 0.00 0.00 2.84 0.00 0.00 34.83 36.20 3cwm s MET 351 CO 0.23 -0.09 0.00 1.97 -0.65 0.00 0.00 175.02 176.48 3cwm n PHE 352 N 4.22 0.00 -3.21 4.11 1.16 -1.26 -5.17 117.46 117.32 3cwm n PHE 352 Ca -0.20 0.00 0.04 0.00 -1.87 0.00 0.00 57.45 55.42 3cwm n PHE 352 Cb 0.51 0.00 -0.02 0.00 -1.61 0.00 0.00 39.48 38.36 3cwm n PHE 352 CO 0.00 0.00 0.00 -1.17 -1.87 0.00 0.00 176.76 173.72 3cwm s LEU 353 N 0.00 -0.77 -0.13 5.98 0.20 -1.26 -5.15 118.68 117.55 3cwm s LEU 353 Ca 0.00 0.58 -0.13 0.00 0.69 0.00 0.00 54.13 55.27 3cwm s LEU 353 Cb 0.00 1.68 -0.05 0.00 -0.43 0.00 0.00 46.19 47.40 3cwm s LEU 353 CO 0.00 -0.14 0.29 -1.61 -0.29 0.00 0.00 176.35 174.59 3cwm s GLU 354 N 2.84 4.09 -0.19 1.98 2.02 -1.26 -5.08 118.70 123.11 3cwm s GLU 354 Ca 0.05 0.11 -0.25 0.00 0.02 0.00 0.00 54.97 54.90 3cwm s GLU 354 Cb -0.11 -3.36 -0.01 0.00 0.10 0.00 0.00 34.13 30.75 3cwm s GLU 354 CO -0.15 0.38 0.83 0.00 0.02 0.00 0.00 175.26 176.35 3cwm s ALA 355 N 0.02 3.56 -0.14 5.21 0.00 -1.26 -5.00 121.76 124.16 3cwm s ALA 355 Ca 0.17 -0.01 -0.13 0.00 0.00 0.00 0.00 51.96 51.99 3cwm s ALA 355 Cb -0.13 -3.25 -0.05 0.00 0.00 0.00 0.00 23.12 19.69 3cwm s ALA 355 CO 0.05 -0.74 0.28 0.42 0.00 0.00 0.00 175.76 175.77 3cwm s ILE 356 N 2.38 5.30 0.84 0.00 1.09 -1.26 -4.89 121.20 124.66 3cwm s ILE 356 Ca 0.37 0.52 -0.11 0.00 -1.10 0.00 0.00 60.65 60.33 3cwm s ILE 356 Cb -0.16 -3.61 0.10 0.00 -1.06 0.00 0.00 42.46 37.73 3cwm s ILE 356 CO 0.11 0.44 1.09 -2.84 -0.10 0.00 0.00 174.94 173.64 3cwm s PRO 357 N 0.10 1.70 0.34 2.79 0.02 -1.26 -4.96 135.00 133.72 3cwm s PRO 357 Ca 0.17 0.82 0.02 0.00 0.02 0.00 0.00 61.00 62.03 3cwm s PRO 357 Cb -0.13 -1.86 0.60 0.00 0.02 0.00 0.00 34.50 33.13 3cwm s PRO 357 CO 0.05 -1.94 1.95 1.98 -0.33 0.00 0.00 177.00 178.71 3cwm h MET 358 N -1.33 0.75 -7.02 5.54 4.05 -2.07 -3.45 114.93 111.41 3cwm h MET 358 Ca -0.48 -0.09 -0.54 0.00 -0.28 0.00 0.00 59.70 58.31 3cwm h MET 358 Cb 1.27 -0.15 0.19 0.00 -0.80 0.00 0.00 31.60 32.11 3cwm h MET 358 CO 0.56 0.58 0.06 -1.13 0.23 0.00 0.00 176.91 177.21 3cwm n SER 359 N -4.38 0.19 -4.72 1.39 3.41 -1.26 -4.93 113.62 103.32 3cwm n SER 359 Ca 0.05 0.57 -0.42 0.00 -0.26 0.00 0.00 58.87 58.81 3cwm n SER 359 Cb 0.12 -1.41 -0.03 0.00 -0.26 0.00 0.00 64.21 62.63 3cwm n SER 359 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3cwm s ILE 360 N -2.07 4.43 0.19 -1.33 -1.09 -1.26 -5.03 121.20 115.05 3cwm s ILE 360 Ca 0.70 1.82 -0.19 0.00 -2.23 0.00 0.00 60.65 60.75 3cwm s ILE 360 Cb -0.30 -4.17 -0.08 0.00 -1.58 0.00 0.00 42.46 36.34 3cwm s ILE 360 CO 0.54 0.18 0.68 -2.16 -1.23 0.00 0.00 174.94 172.95 3cwm s PRO 361 N 0.70 4.21 0.43 2.79 0.05 -1.26 -5.05 135.00 136.87 3cwm s PRO 361 Ca 0.53 0.80 -0.24 0.00 0.05 0.00 0.00 61.00 62.13 3cwm s PRO 361 Cb -0.25 -2.94 -0.10 0.00 0.05 0.00 0.00 34.50 31.26 3cwm s PRO 361 CO 0.30 0.44 1.12 -0.35 0.05 0.00 0.00 177.00 178.56 3cwm n PRO 362 N 0.86 1.57 -3.20 0.56 -0.04 -1.26 -4.63 135.00 128.86 3cwm n PRO 362 Ca -0.04 0.56 -0.40 0.00 -0.04 0.00 0.00 63.50 63.59 3cwm n PRO 362 Cb 0.51 -2.20 -0.07 0.00 -0.04 0.00 0.00 33.50 31.70 3cwm n PRO 362 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 3cwm s GLU 363 N -2.15 4.16 -0.26 0.54 2.12 -1.26 -0.45 118.70 121.39 3cwm s GLU 363 Ca 0.63 0.45 0.02 0.00 0.36 0.00 0.00 54.97 56.43 3cwm s GLU 363 Cb -0.53 -3.59 0.06 0.00 0.26 0.00 0.00 34.13 30.33 3cwm s GLU 363 CO 0.56 -0.24 -0.06 0.08 -0.54 0.00 0.00 175.26 175.06 3cwm s VAL 364 N 1.94 1.84 -0.21 3.70 1.01 -0.55 -4.97 120.40 123.16 3cwm s VAL 364 Ca 0.25 -1.50 -0.09 0.00 0.00 0.00 0.00 61.98 60.64 3cwm s VAL 364 Cb -0.16 -2.07 -0.04 0.00 0.00 0.00 0.00 36.38 34.11 3cwm s VAL 364 CO 0.09 -0.13 0.10 -0.54 0.00 0.00 0.00 175.10 174.63 3cwm s LYS 365 N 1.24 3.96 -1.25 2.72 1.02 -1.26 -1.49 119.74 124.68 3cwm s LYS 365 Ca -0.05 -0.34 -0.07 0.00 0.02 0.00 0.00 55.97 55.53 3cwm s LYS 365 Cb -0.19 -3.35 0.18 0.00 -0.52 0.00 0.00 37.83 33.94 3cwm s LYS 365 CO -0.06 0.12 1.96 1.19 -0.92 0.00 0.00 175.35 177.64 3cwm n PHE 366 N 4.03 2.72 -1.56 3.18 3.01 0.12 -4.66 117.46 124.29 3cwm n PHE 366 Ca -0.16 -2.75 0.07 0.00 1.01 0.00 0.00 57.45 55.62 3cwm n PHE 366 Cb 0.52 -1.77 0.17 0.00 -0.01 0.00 0.00 39.48 38.39 3cwm n PHE 366 CO 0.00 0.00 0.00 0.27 1.01 0.00 0.00 176.76 178.04 3cwm n ASN 367 N 2.68 1.74 -3.85 4.37 6.94 -1.26 -4.33 115.26 121.56 3cwm n ASN 367 Ca 0.45 -3.48 -0.11 0.00 -0.02 0.00 0.00 54.58 51.42 3cwm n ASN 367 Cb 0.32 -0.47 -0.06 0.00 -2.36 0.00 0.00 39.78 37.21 3cwm n ASN 367 CO 0.00 0.00 0.00 -1.59 -1.03 0.00 0.00 177.26 174.64 3cwm s LYS 368 N -2.76 1.59 0.23 -3.83 -2.85 -1.26 0.11 119.74 110.96 3cwm s LYS 368 Ca 0.35 -1.42 -0.30 0.00 -1.00 0.00 0.00 55.97 53.60 3cwm s LYS 368 Cb 0.34 0.44 -0.15 0.00 -2.06 0.00 0.00 37.83 36.40 3cwm s LYS 368 CO -0.05 -0.65 1.06 -2.30 0.10 0.00 0.00 175.35 173.51 3cwm n PRO 369 N -0.41 1.18 -3.92 1.78 -0.02 -1.25 -4.95 135.00 127.41 3cwm n PRO 369 Ca -0.01 0.42 -0.08 0.00 -2.02 0.00 0.00 63.50 61.81 3cwm n PRO 369 Cb 0.62 -1.83 -0.08 0.00 -0.02 0.00 0.00 33.50 32.20 3cwm n PRO 369 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 3cwm s PHE 370 N -0.62 0.24 0.09 6.00 -0.12 -0.75 -4.45 117.98 118.37 3cwm s PHE 370 Ca 0.66 -0.69 0.06 0.00 -0.05 0.00 0.00 56.93 56.91 3cwm s PHE 370 Cb -0.79 -0.14 -0.04 0.00 -0.63 0.00 0.00 43.02 41.42 3cwm s PHE 370 CO 0.56 -0.49 -0.08 0.08 -0.05 0.00 0.00 175.22 175.23 3cwm s VAL 371 N -3.79 3.50 0.12 -2.49 1.01 -0.48 -1.07 120.40 117.20 3cwm s VAL 371 Ca 0.05 -1.18 -0.11 0.00 0.00 0.00 0.00 61.98 60.74 3cwm s VAL 371 Cb 0.05 -2.63 0.01 0.00 0.00 0.00 0.00 36.38 33.81 3cwm s VAL 371 CO -0.10 0.14 0.28 0.72 0.00 0.00 0.00 175.10 176.14 3cwm s PHE 372 N -1.21 0.11 0.00 5.22 -0.71 -0.41 0.04 117.98 121.01 3cwm s PHE 372 Ca 0.22 -0.49 -0.07 0.00 -1.04 0.00 0.00 56.93 55.55 3cwm s PHE 372 Cb -0.11 0.04 0.00 0.00 -1.21 0.00 0.00 43.02 41.74 3cwm s PHE 372 CO 0.14 -0.65 0.13 -0.51 -1.34 0.00 0.00 175.22 172.99 3cwm s LEU 373 N -2.87 1.59 -0.20 -1.99 1.02 -0.24 -2.01 118.68 113.97 3cwm s LEU 373 Ca 0.08 -0.20 -0.03 0.00 0.02 0.00 0.00 54.13 54.00 3cwm s LEU 373 Cb 0.03 0.63 -0.01 0.00 0.02 0.00 0.00 46.19 46.86 3cwm s LEU 373 CO -0.08 -0.35 -0.06 -0.04 0.02 0.00 0.00 176.35 175.84 3cwm s MET 374 N -1.30 3.36 -0.16 1.70 -1.94 -1.03 0.13 119.30 120.07 3cwm s MET 374 Ca -0.14 -0.64 -0.02 0.00 -1.71 0.00 0.00 55.69 53.18 3cwm s MET 374 Cb -0.07 -2.93 -0.01 0.00 2.01 0.00 0.00 34.83 33.82 3cwm s MET 374 CO 0.01 -0.13 -0.09 0.42 -0.01 0.00 0.00 175.02 175.22 3cwm s ILE 375 N 1.29 3.26 0.20 2.53 -1.09 0.44 -0.53 121.20 127.30 3cwm s ILE 375 Ca 0.03 -0.57 -0.30 0.00 -2.23 0.00 0.00 60.65 57.58 3cwm s ILE 375 Cb -0.14 -2.41 -0.08 0.00 -1.58 0.00 0.00 42.46 38.24 3cwm s ILE 375 CO -0.03 0.49 1.23 -0.70 -1.23 0.00 0.00 174.94 174.70 3cwm s GLU 376 N 0.65 4.47 0.17 2.79 -6.30 -0.29 -0.74 118.70 119.45 3cwm s GLU 376 Ca -0.05 1.93 0.01 0.00 -2.50 0.00 0.00 54.97 54.36 3cwm s GLU 376 Cb -0.15 -3.22 0.02 0.00 0.00 0.00 0.00 34.13 30.78 3cwm s GLU 376 CO 0.02 -0.12 1.40 1.96 0.02 0.00 0.00 175.26 178.54 3cwm h GLN 377 N 5.14 0.26 -0.08 4.30 4.20 -1.22 0.48 115.11 128.21 3cwm h GLN 377 Ca -0.45 -0.26 -0.19 0.00 0.06 0.00 0.00 58.65 57.82 3cwm h GLN 377 Cb 1.21 0.07 -0.00 0.00 0.30 0.00 0.00 27.48 29.06 3cwm h GLN 377 CO 0.74 0.96 -0.74 -0.91 -0.67 0.00 0.00 178.83 178.21 3cwm h ASN 378 N 0.16 0.48 0.00 1.46 2.35 -1.94 -3.36 115.58 114.74 3cwm h ASN 378 Ca -0.04 -0.32 0.00 0.00 -0.55 0.00 0.00 56.30 55.39 3cwm h ASN 378 Cb 1.44 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 39.66 3cwm h ASN 378 CO 0.13 1.06 -1.29 0.35 -1.65 0.00 0.00 177.43 176.03 3cwm n THR 379 N -3.83 0.00 -1.21 2.81 -2.24 -1.24 -4.51 114.28 104.06 3cwm n THR 379 Ca -0.04 -0.25 -0.07 0.00 -2.27 0.00 0.00 64.05 61.41 3cwm n THR 379 Cb 0.71 0.41 -0.03 0.00 -2.10 0.00 0.00 70.33 69.32 3cwm n THR 379 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3cwm n LYS 380 N -1.75 -0.86 -2.25 -0.78 4.76 0.16 -3.40 118.16 114.04 3cwm n LYS 380 Ca -0.01 0.66 -0.37 0.00 -2.87 0.00 0.00 58.31 55.72 3cwm n LYS 380 Cb 0.26 -4.56 -0.01 0.00 -1.84 0.00 0.00 35.03 28.88 3cwm n LYS 380 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 3cwm s SER 381 N -2.57 6.19 -0.64 4.39 0.01 -1.22 -4.73 113.70 115.13 3cwm s SER 381 Ca 0.00 2.32 -0.22 0.00 1.31 0.00 0.00 55.95 59.35 3cwm s SER 381 Cb 0.00 -2.60 0.07 0.00 0.21 0.00 0.00 66.02 63.69 3cwm s SER 381 CO 0.00 -0.91 0.94 -2.16 0.41 0.00 0.00 173.24 171.53 3cwm s PRO 382 N -2.67 3.13 0.26 12.44 0.04 -1.26 -1.14 135.00 145.81 3cwm s PRO 382 Ca 0.63 -0.79 -0.05 0.00 0.04 0.00 0.00 61.00 60.83 3cwm s PRO 382 Cb -0.29 -4.21 0.30 0.00 0.04 0.00 0.00 34.50 30.34 3cwm s PRO 382 CO 0.35 -1.76 1.93 -0.07 0.04 0.00 0.00 177.00 177.50 3cwm h LEU 383 N 11.22 1.11 -7.88 -3.56 3.38 -1.17 -3.17 115.31 115.25 3cwm h LEU 383 Ca -0.28 -0.03 -0.12 0.00 0.09 0.00 0.00 57.88 57.53 3cwm h LEU 383 Cb 1.07 -0.28 -0.17 0.00 0.09 0.00 0.00 40.66 41.37 3cwm h LEU 383 CO 1.16 0.81 -0.51 -0.36 0.09 0.00 0.00 178.44 179.64 3cwm s PHE 384 N -6.06 0.19 0.03 1.13 0.08 -1.12 -3.80 117.98 108.42 3cwm s PHE 384 Ca -0.13 -0.49 -0.05 0.00 0.12 0.00 0.00 56.93 56.39 3cwm s PHE 384 Cb 0.18 -0.13 -0.01 0.00 -0.57 0.00 0.00 43.02 42.49 3cwm s PHE 384 CO 0.81 -0.38 0.07 1.41 -0.10 0.00 0.00 175.22 177.04 3cwm s MET 385 N -2.65 0.55 0.02 0.44 1.75 -0.59 -2.46 119.30 116.35 3cwm s MET 385 Ca -0.05 -0.75 -0.29 0.00 -1.25 0.00 0.00 55.69 53.36 3cwm s MET 385 Cb -0.01 0.21 0.11 0.00 2.84 0.00 0.00 34.83 37.98 3cwm s MET 385 CO -0.05 -0.13 1.24 0.20 -0.65 0.00 0.00 175.02 175.63 3cwm s GLY 386 N -2.06 -0.28 -0.01 2.11 0.00 -0.85 -1.80 107.32 104.42 3cwm s GLY 386 Ca -0.06 0.40 -0.01 0.00 0.00 0.00 0.00 44.72 45.04 3cwm s GLY 386 CO -0.04 1.61 0.04 1.25 0.00 0.00 0.00 173.10 175.96 3cwm s LYS 387 N -2.38 0.06 -0.27 2.90 2.20 0.41 -1.29 119.74 121.38 3cwm s LYS 387 Ca 0.18 0.03 -0.05 0.00 -0.36 0.00 0.00 55.97 55.77 3cwm s LYS 387 Cb 0.02 0.03 0.00 0.00 -1.51 0.00 0.00 37.83 36.37 3cwm s LYS 387 CO -0.02 -0.01 0.03 0.08 -0.36 0.00 0.00 175.35 175.08 3cwm s VAL 388 N -0.04 3.73 -0.17 4.02 1.01 -0.23 -1.36 120.40 127.36 3cwm s VAL 388 Ca -0.01 -0.62 0.12 0.00 0.00 0.00 0.00 61.98 61.47 3cwm s VAL 388 Cb -0.01 -2.85 -0.19 0.00 0.00 0.00 0.00 36.38 33.34 3cwm s VAL 388 CO 0.00 0.21 0.01 1.33 0.00 0.00 0.00 175.10 176.65 3cwm n VAL 389 N 4.83 1.12 -3.15 2.92 0.24 -1.26 -1.82 118.33 121.21 3cwm n VAL 389 Ca -0.16 -0.64 0.04 0.00 -2.04 0.00 0.00 64.34 61.54 3cwm n VAL 389 Cb 0.49 -0.70 -0.01 0.00 -1.47 0.00 0.00 33.84 32.15 3cwm n VAL 389 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 3cwm s ASN 390 N -5.18 -1.27 0.51 -1.34 2.47 -1.26 -4.60 114.94 104.28 3cwm s ASN 390 Ca -0.12 0.68 0.34 0.00 0.42 0.00 0.00 52.86 54.18 3cwm s ASN 390 Cb 0.05 2.02 1.68 0.00 -1.45 0.00 0.00 41.25 43.55 3cwm s ASN 390 CO 0.63 -0.24 2.04 -0.65 -3.72 0.00 0.00 177.10 175.15 3cwm h PRO 391 N 7.98 0.00 -0.00 0.43 0.11 -1.98 -1.43 132.00 137.12 3cwm h PRO 391 Ca -0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.93 3cwm h PRO 391 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3cwm h PRO 391 CO 0.18 0.00 -0.72 0.25 -0.21 0.00 0.00 178.00 177.50 3cwm n THR 392 N -2.82 0.00 0.00 -1.15 -2.24 -1.26 -4.70 114.28 102.11 3cwm n THR 392 Ca -0.01 -0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.71 3cwm n THR 392 Cb 0.16 0.81 0.00 0.00 -2.10 0.00 0.00 70.33 69.20 3cwm n THR 392 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17