#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fer n TRP 24 N 0.00 0.00 1.88 6.00 2.14 -1.26 -2.10 117.44 124.10 3fer n TRP 24 Ca 0.00 0.00 0.10 0.00 2.07 0.00 0.00 57.50 59.67 3fer n TRP 24 Cb 0.00 -0.50 0.62 0.00 -0.81 0.00 0.00 31.31 30.62 3fer n TRP 24 CO 0.00 0.00 0.00 1.63 2.07 0.00 0.00 177.69 181.39 3fer n LYS 25 N -1.50 0.94 0.00 -2.67 5.02 -1.26 -2.78 118.16 115.91 3fer n LYS 25 Ca 0.02 0.00 0.06 0.00 -2.02 0.00 0.00 58.31 56.37 3fer n LYS 25 Cb 0.11 -1.35 0.02 0.00 -0.02 0.00 0.00 35.03 33.78 3fer n LYS 25 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 3fer n LYS 26 N -0.85 1.56 -0.20 1.97 4.81 -0.89 -4.66 118.16 119.90 3fer n LYS 26 Ca 0.16 -0.83 -0.03 0.00 -0.87 0.00 0.00 58.31 56.75 3fer n LYS 26 Cb 0.07 -1.15 0.08 0.00 0.02 0.00 0.00 35.03 34.05 3fer n LYS 26 CO 0.00 0.00 0.00 0.82 1.17 0.00 0.00 177.40 179.39 3fer h ILE 27 N 1.60 0.94 -0.27 3.15 2.04 -1.71 0.35 117.51 123.61 3fer h ILE 27 Ca 0.00 -0.20 -0.04 0.00 1.00 0.00 0.00 64.86 65.62 3fer h ILE 27 Cb 0.42 0.31 -0.01 0.00 -0.74 0.00 0.00 36.82 36.80 3fer h ILE 27 CO 0.00 0.11 0.01 -0.61 0.00 0.00 0.00 178.15 177.66 3fer h GLN 28 N 0.58 0.47 -0.11 2.37 4.15 -1.83 -0.29 115.11 120.45 3fer h GLN 28 Ca 0.27 -0.14 0.03 0.00 0.77 0.00 0.00 58.65 59.58 3fer h GLN 28 Cb 0.18 -0.05 -0.04 0.00 0.21 0.00 0.00 27.48 27.79 3fer h GLN 28 CO -0.18 0.62 -0.12 0.37 -1.93 0.00 0.00 178.83 177.59 3fer h GLN 29 N 0.26 -0.14 0.04 1.69 4.15 -1.71 -0.13 115.11 119.28 3fer h GLN 29 Ca 0.08 0.01 0.03 0.00 0.77 0.00 0.00 58.65 59.54 3fer h GLN 29 Cb 0.40 0.03 -0.05 0.00 0.21 0.00 0.00 27.48 28.07 3fer h GLN 29 CO 0.01 -0.09 -0.34 -0.91 -1.93 0.00 0.00 178.83 175.57 3fer h ASN 30 N -0.15 -1.00 -0.16 -0.69 -0.26 -0.04 0.67 115.58 113.95 3fer h ASN 30 Ca 0.08 0.12 0.02 0.00 -0.56 0.00 0.00 56.30 55.97 3fer h ASN 30 Cb 0.26 0.39 -0.02 0.00 -1.06 0.00 0.00 38.32 37.89 3fer h ASN 30 CO -0.20 -0.41 0.01 0.74 -1.06 0.00 0.00 177.43 176.52 3fer h THR 31 N -0.52 0.91 -0.58 2.81 2.02 -0.89 0.01 112.91 116.67 3fer h THR 31 Ca 0.05 -0.03 0.00 0.00 0.77 0.00 0.00 66.41 67.21 3fer h THR 31 Cb 0.58 0.83 -0.03 0.00 -1.74 0.00 0.00 68.15 67.79 3fer h THR 31 CO -0.25 0.01 0.37 -0.26 0.37 0.00 0.00 175.52 175.76 3fer h PHE 32 N 0.07 0.74 -0.30 3.16 -1.00 -0.82 0.38 116.94 119.17 3fer h PHE 32 Ca 0.07 0.01 -0.09 0.00 2.81 0.00 0.00 57.97 60.78 3fer h PHE 32 Cb 0.08 -0.25 -0.01 0.00 3.61 0.00 0.00 35.95 39.38 3fer h PHE 32 CO -0.15 0.48 -0.15 1.15 -1.61 0.00 0.00 178.31 178.04 3fer h THR 33 N 0.79 1.29 -0.70 -1.55 2.02 -0.17 -2.60 112.91 111.99 3fer h THR 33 Ca 0.21 -1.25 -0.05 0.00 0.77 0.00 0.00 66.41 66.09 3fer h THR 33 Cb -0.06 1.46 -0.03 0.00 -1.74 0.00 0.00 68.15 67.78 3fer h THR 33 CO -0.04 0.40 0.23 0.03 0.37 0.00 0.00 175.52 176.51 3fer h ARG 34 N 0.39 1.08 -0.72 6.66 3.08 -0.31 -2.09 114.38 122.47 3fer h ARG 34 Ca 0.07 -0.23 0.04 0.00 0.07 0.00 0.00 59.98 59.94 3fer h ARG 34 Cb 0.67 -0.16 -0.05 0.00 0.08 0.00 0.00 29.97 30.51 3fer h ARG 34 CO 0.04 0.93 0.43 2.35 -1.07 0.00 0.00 179.97 182.65 3fer h TRP 35 N 1.02 0.80 -0.44 3.04 7.01 -0.89 -1.12 115.95 125.38 3fer h TRP 35 Ca 0.23 0.02 -0.05 0.00 2.11 0.00 0.00 58.89 61.21 3fer h TRP 35 Cb 0.29 -0.26 -0.02 0.00 -2.10 0.00 0.00 29.16 27.07 3fer h TRP 35 CO 0.02 0.43 0.10 0.00 -2.79 0.00 0.00 178.44 176.20 3fer h ASN 37 N 0.58 0.63 -0.39 0.00 -0.26 -0.88 0.14 115.58 115.39 3fer h ASN 37 Ca 0.14 -0.09 -0.00 0.00 -0.56 0.00 0.00 56.30 55.78 3fer h ASN 37 Cb 0.34 -0.16 -0.02 0.00 -1.06 0.00 0.00 38.32 37.41 3fer h ASN 37 CO 0.00 0.62 0.25 -0.08 -1.06 0.00 0.00 177.43 177.15 3fer h GLU 38 N 0.67 0.54 0.13 0.81 4.57 -1.08 -0.42 114.58 119.79 3fer h GLU 38 Ca 0.15 -0.04 -0.32 0.00 -1.18 0.00 0.00 59.36 57.97 3fer h GLU 38 Cb 0.23 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 28.69 3fer h GLU 38 CO -0.01 0.38 -1.66 0.45 -1.18 0.00 0.00 179.01 177.00 3fer h HIS 39 N 0.55 0.49 0.00 0.92 3.86 -1.32 -3.36 115.15 116.29 3fer h HIS 39 Ca 0.15 -0.35 0.00 0.00 -1.16 0.00 0.00 60.37 59.00 3fer h HIS 39 Cb -0.03 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 28.43 3fer h HIS 39 CO 0.00 1.47 0.00 -0.07 0.86 0.00 0.00 177.93 180.19 3fer h LEU 40 N 0.07 0.00 -0.70 2.43 3.38 -0.26 -3.22 115.31 117.01 3fer h LEU 40 Ca -0.29 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.60 3fer h LEU 40 Cb 2.04 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.76 3fer h LEU 40 CO 0.15 0.00 0.10 0.07 0.09 0.00 0.00 178.44 178.85 3fer h LYS 41 N 0.00 1.10 -0.01 1.13 2.10 -1.07 0.11 116.57 119.94 3fer h LYS 41 Ca 0.00 -0.30 0.00 0.00 -2.00 0.00 0.00 60.65 58.35 3fer h LYS 41 Cb 0.57 -0.13 -0.00 0.00 -0.90 0.00 0.00 32.23 31.78 3fer h LYS 41 CO 0.00 1.01 0.02 0.00 -2.00 0.00 0.00 179.45 178.49 3fer n VAL 43 N -3.25 2.46 -3.82 0.00 0.24 -0.98 -4.98 118.33 108.00 3fer n VAL 43 Ca -0.03 -2.21 -0.24 0.00 -2.04 0.00 0.00 64.34 59.82 3fer n VAL 43 Cb 0.10 -0.30 0.01 0.00 -1.47 0.00 0.00 33.84 32.18 3fer n VAL 43 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 3fer n ASN 44 N -0.77 -1.21 -4.18 -1.34 5.15 0.16 -5.01 115.26 108.05 3fer n ASN 44 Ca 0.28 -0.94 -0.11 0.00 -0.60 0.00 0.00 54.58 53.22 3fer n ASN 44 Cb 1.00 -3.48 -0.10 0.00 -0.53 0.00 0.00 39.78 36.68 3fer n ASN 44 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 3fer s LYS 45 N -6.26 0.91 -0.15 1.20 1.02 0.35 -4.99 119.74 111.82 3fer s LYS 45 Ca 0.06 -1.40 -0.26 0.00 0.02 0.00 0.00 55.97 54.39 3fer s LYS 45 Cb -0.02 -0.15 0.06 0.00 -0.52 0.00 0.00 37.83 37.21 3fer s LYS 45 CO 0.86 -0.08 0.64 0.50 -0.92 0.00 0.00 175.35 176.34 3fer s ARG 46 N -3.89 0.88 -0.17 1.68 3.52 -1.26 -3.26 118.95 116.45 3fer s ARG 46 Ca 0.17 0.56 -0.10 0.00 -0.13 0.00 0.00 55.73 56.22 3fer s ARG 46 Cb 0.06 0.42 -0.05 0.00 -1.56 0.00 0.00 34.95 33.82 3fer s ARG 46 CO -0.02 -0.20 0.17 0.42 -0.81 0.00 0.00 175.30 174.87 3fer s ILE 47 N -0.42 5.40 -0.24 4.11 1.01 -1.26 -4.98 121.20 124.82 3fer s ILE 47 Ca -0.06 0.28 -0.16 0.00 0.00 0.00 0.00 60.65 60.72 3fer s ILE 47 Cb -0.03 -3.50 -0.12 0.00 0.01 0.00 0.00 42.46 38.83 3fer s ILE 47 CO 0.05 0.46 -0.22 0.61 0.00 0.00 0.00 174.94 175.84 3fer n GLY 48 N 3.20 -0.59 3.03 6.18 0.00 -1.26 -4.89 105.19 110.85 3fer n GLY 48 Ca -0.16 -0.12 -0.31 0.00 0.00 0.00 0.00 46.02 45.44 3fer n GLY 48 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3fer s ASN 49 N -6.97 3.12 0.34 1.61 3.84 -1.26 -5.01 114.94 110.61 3fer s ASN 49 Ca -0.33 -0.72 0.04 0.00 0.21 0.00 0.00 52.86 52.07 3fer s ASN 49 Cb 0.10 -1.26 0.62 0.00 -0.55 0.00 0.00 41.25 40.16 3fer s ASN 49 CO 0.48 -0.09 1.89 0.25 -2.79 0.00 0.00 177.10 176.85 3fer h LEU 50 N 7.99 0.50 -1.90 3.21 5.85 -1.95 0.26 115.31 129.27 3fer h LEU 50 Ca -0.34 -0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.29 3fer h LEU 50 Cb 1.12 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 42.02 3fer h LEU 50 CO 0.52 0.54 -0.03 -0.61 -0.34 0.00 0.00 178.44 178.53 3fer h GLN 51 N 0.52 0.00 0.00 1.25 4.15 -1.95 -3.35 115.11 115.73 3fer h GLN 51 Ca 0.12 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.54 3fer h GLN 51 Cb 0.28 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.97 3fer h GLN 51 CO 0.00 0.03 -0.31 -2.37 -1.93 0.00 0.00 178.83 174.25 3fer n THR 52 N -3.17 0.00 1.69 2.39 5.66 -0.97 -4.34 114.28 115.55 3fer n THR 52 Ca -0.01 -0.09 0.09 0.00 -3.05 0.00 0.00 64.05 61.00 3fer n THR 52 Cb 0.24 0.52 0.45 0.00 -1.55 0.00 0.00 70.33 69.99 3fer n THR 52 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 3fer n ASP 53 N -0.65 0.66 -0.33 1.09 8.00 0.88 -3.19 116.55 123.01 3fer n ASP 53 Ca 0.00 -1.57 0.04 0.00 0.71 0.00 0.00 54.79 53.97 3fer n ASP 53 Cb 0.00 -0.04 0.04 0.00 -0.02 0.00 0.00 41.12 41.09 3fer n ASP 53 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3fer n LEU 54 N -0.33 1.71 -0.18 0.64 4.77 -1.26 -4.51 117.00 117.83 3fer n LEU 54 Ca 0.14 -1.03 -0.07 0.00 -0.03 0.00 0.00 56.01 55.02 3fer n LEU 54 Cb 0.16 -0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.27 3fer n LEU 54 CO 0.11 0.34 1.03 0.28 -1.33 0.00 0.00 177.39 177.82 3fer h SER 55 N 1.61 0.67 0.00 -1.43 0.02 -1.75 -1.67 113.55 111.00 3fer h SER 55 Ca 0.00 -0.10 0.00 0.00 -0.84 0.00 0.00 61.79 60.85 3fer h SER 55 Cb 0.35 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.72 3fer h SER 55 CO 0.00 0.57 0.00 -0.90 -1.14 0.00 0.00 176.83 175.36 3fer n ASP 56 N -4.62 0.00 0.00 3.07 5.68 -1.26 -4.38 116.55 115.04 3fer n ASP 56 Ca 0.03 -1.41 0.00 0.00 -0.50 0.00 0.00 54.79 52.90 3fer n ASP 56 Cb 0.09 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.07 3fer n ASP 56 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3fer n GLY 57 N 0.46 1.17 0.14 6.12 0.00 -0.63 -4.67 105.19 107.79 3fer n GLY 57 Ca 0.07 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.97 3fer n GLY 57 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3fer h LEU 58 N 0.00 0.38 -0.77 0.99 3.38 -1.88 -1.55 115.31 115.85 3fer h LEU 58 Ca 0.00 -0.33 -0.13 0.00 0.09 0.00 0.00 57.88 57.51 3fer h LEU 58 Cb 0.00 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 3fer h LEU 58 CO 0.00 0.62 -0.54 0.03 0.09 0.00 0.00 178.44 178.64 3fer h ARG 59 N 0.13 0.20 -0.41 1.13 3.08 -1.88 -1.06 114.38 115.59 3fer h ARG 59 Ca 0.06 -0.12 -0.05 0.00 0.07 0.00 0.00 59.98 59.93 3fer h ARG 59 Cb 0.44 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.49 3fer h ARG 59 CO 0.01 0.69 0.06 1.25 -1.07 0.00 0.00 179.97 180.92 3fer h LEU 60 N 0.16 0.65 -0.23 3.04 5.85 -1.81 0.13 115.31 123.09 3fer h LEU 60 Ca 0.00 -0.26 -0.01 0.00 0.84 0.00 0.00 57.88 58.45 3fer h LEU 60 Cb 1.01 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.85 3fer h LEU 60 CO 0.08 0.75 0.11 0.40 -0.34 0.00 0.00 178.44 179.45 3fer h ILE 61 N 0.53 1.14 -0.38 4.05 2.04 -1.06 -1.05 117.51 122.78 3fer h ILE 61 Ca 0.12 -0.39 0.05 0.00 1.00 0.00 0.00 64.86 65.64 3fer h ILE 61 Cb 0.38 0.97 -0.05 0.00 -0.74 0.00 0.00 36.82 37.38 3fer h ILE 61 CO 0.01 0.14 0.09 0.00 0.00 0.00 0.00 178.15 178.39 3fer h ALA 62 N 0.98 0.42 -0.67 1.87 0.00 -0.91 -0.00 119.26 120.94 3fer h ALA 62 Ca 0.08 0.07 0.05 0.00 0.00 0.00 0.00 54.91 55.10 3fer h ALA 62 Cb 0.11 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.93 3fer h ALA 62 CO -0.01 -0.31 0.39 1.25 0.00 0.00 0.00 179.25 180.57 3fer h LEU 63 N 0.23 0.60 -0.69 0.00 5.85 -0.57 -1.74 115.31 119.00 3fer h LEU 63 Ca 0.18 0.02 -0.10 0.00 0.84 0.00 0.00 57.88 58.82 3fer h LEU 63 Cb 0.19 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.10 3fer h LEU 63 CO -0.22 0.40 -0.06 -0.07 -0.34 0.00 0.00 178.44 178.15 3fer h LEU 64 N 0.74 0.94 -1.15 2.25 3.38 -0.43 -1.65 115.31 119.40 3fer h LEU 64 Ca 0.29 -0.28 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 3fer h LEU 64 Cb 0.13 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 3fer h LEU 64 CO -0.16 1.03 0.11 -0.33 0.09 0.00 0.00 178.44 179.19 3fer h GLU 65 N 0.87 0.71 0.03 1.13 5.08 -0.47 -1.19 114.58 120.74 3fer h GLU 65 Ca 0.15 -0.13 -0.00 0.00 -1.00 0.00 0.00 59.36 58.37 3fer h GLU 65 Cb 0.59 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.73 3fer h GLU 65 CO 0.04 0.65 -0.01 0.28 -1.00 0.00 0.00 179.01 178.96 3fer h VAL 66 N 0.69 1.34 0.24 3.13 2.07 -1.09 0.16 116.25 122.81 3fer h VAL 66 Ca 0.16 -1.23 -0.01 0.00 0.82 0.00 0.00 66.70 66.44 3fer h VAL 66 Cb 0.26 2.16 -0.01 0.00 -1.52 0.00 0.00 31.29 32.18 3fer h VAL 66 CO -0.00 0.31 -0.16 -0.07 0.02 0.00 0.00 177.57 177.67 3fer h LEU 67 N -0.58 -0.40 0.00 2.57 3.38 -1.19 -3.03 115.31 116.06 3fer h LEU 67 Ca -0.00 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3fer h LEU 67 Cb 0.54 0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.41 3fer h LEU 67 CO 0.01 -0.25 -0.12 0.77 0.09 0.00 0.00 178.44 178.93 3fer h SER 68 N -0.40 0.00 -0.55 -0.43 4.64 -1.33 -3.47 113.55 112.01 3fer h SER 68 Ca -0.02 -0.04 -0.24 0.00 -0.47 0.00 0.00 61.79 61.02 3fer h SER 68 Cb 0.33 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 62.33 3fer h SER 68 CO 0.02 0.02 -0.22 0.00 -0.87 0.00 0.00 176.83 175.78 3fer n GLN 69 N -2.28 -1.56 -4.32 4.77 1.13 0.57 -4.96 117.38 110.72 3fer n GLN 69 Ca 0.05 0.90 -0.26 0.00 -1.94 0.00 0.00 57.00 55.75 3fer n GLN 69 Cb 0.44 -5.25 -0.09 0.00 0.11 0.00 0.00 30.24 25.45 3fer n GLN 69 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 3fer s LYS 70 N -2.93 2.03 0.00 -1.09 1.02 -1.20 -5.01 119.74 112.56 3fer s LYS 70 Ca 0.00 -1.37 0.00 0.00 0.02 0.00 0.00 55.97 54.62 3fer s LYS 70 Cb 0.00 -2.09 0.00 0.00 -0.52 0.00 0.00 37.83 35.22 3fer s LYS 70 CO 0.00 0.41 0.00 2.89 -0.92 0.00 0.00 175.35 177.73 3fer n ARG 71 N -0.21 0.00 -0.07 1.68 1.85 -1.26 -4.35 116.66 114.30 3fer n ARG 71 Ca -0.09 0.00 -0.08 0.00 -1.00 0.00 0.00 57.85 56.68 3fer n ARG 71 Cb 0.57 0.00 -0.10 0.00 -1.05 0.00 0.00 32.46 31.87 3fer n ARG 71 CO 0.00 0.00 0.00 2.48 -0.01 0.00 0.00 177.63 180.10 3fer n TYR 73 N 0.00 0.00 -4.32 2.89 0.18 -1.26 -5.09 117.16 109.56 3fer n TYR 73 Ca 0.00 0.00 -0.19 0.00 1.88 0.00 0.00 57.90 59.59 3fer n TYR 73 Cb 0.00 -0.69 -0.06 0.00 -0.38 0.00 0.00 39.34 38.21 3fer n TYR 73 CO 0.00 0.00 0.00 2.89 -2.08 0.00 0.00 176.86 177.67 3fer n ARG 74 N -2.61 0.46 -2.82 -3.48 1.85 -1.26 -5.15 116.66 103.65 3fer n ARG 74 Ca -0.24 -2.89 -0.32 0.00 -1.00 0.00 0.00 57.85 53.40 3fer n ARG 74 Cb 0.93 2.04 -0.05 0.00 -1.05 0.00 0.00 32.46 34.33 3fer n ARG 74 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 3fer s LYS 75 N -3.23 3.97 0.26 2.89 -0.14 -1.26 -5.09 119.74 117.15 3fer s LYS 75 Ca 0.27 0.77 0.03 0.00 -1.36 0.00 0.00 55.97 55.68 3fer s LYS 75 Cb 0.01 -2.30 -0.05 0.00 -1.68 0.00 0.00 37.83 33.81 3fer s LYS 75 CO 0.19 -0.04 0.03 1.52 -0.76 0.00 0.00 175.35 176.30 3fer s TYR 76 N -2.28 1.65 -0.29 3.18 -0.85 -1.26 -5.05 117.35 112.45 3fer s TYR 76 Ca 0.56 -0.98 -0.28 0.00 -0.52 0.00 0.00 57.07 55.85 3fer s TYR 76 Cb -0.10 -0.99 0.01 0.00 0.38 0.00 0.00 41.96 41.26 3fer s TYR 76 CO 0.24 -0.09 1.01 -1.01 -1.52 0.00 0.00 175.55 174.18 3fer s HIS 77 N -3.46 3.22 -2.07 -3.49 3.76 -1.26 -4.91 115.29 107.09 3fer s HIS 77 Ca 0.32 1.22 0.29 0.00 -0.15 0.00 0.00 55.06 56.74 3fer s HIS 77 Cb 0.07 -3.47 1.67 0.00 1.11 0.00 0.00 32.58 31.96 3fer s HIS 77 CO 0.11 -0.64 2.09 1.04 -0.85 0.00 0.00 174.74 176.49 3fer n GLN 78 N 6.57 1.10 -2.84 1.40 6.02 -1.26 -4.09 117.38 124.28 3fer n GLN 78 Ca 0.10 -0.15 -0.11 0.00 -0.01 0.00 0.00 57.00 56.84 3fer n GLN 78 Cb 0.47 -1.47 0.04 0.00 1.02 0.00 0.00 30.24 30.30 3fer n GLN 78 CO 0.00 0.00 0.00 2.89 -1.01 0.00 0.00 177.06 178.94 3fer n ARG 79 N -0.79 0.87 -2.30 -1.09 1.85 -1.26 -5.10 116.66 108.84 3fer n ARG 79 Ca 0.22 -2.13 -0.40 0.00 -1.00 0.00 0.00 57.85 54.54 3fer n ARG 79 Cb 0.14 -1.31 -0.03 0.00 -1.05 0.00 0.00 32.46 30.21 3fer n ARG 79 CO 0.00 0.00 0.00 -1.25 -0.01 0.00 0.00 177.63 176.37 3fer s PRO 80 N 0.04 2.92 -0.02 2.89 0.04 -1.26 -4.83 135.00 134.79 3fer s PRO 80 Ca 0.30 0.20 0.03 0.00 0.04 0.00 0.00 61.00 61.57 3fer s PRO 80 Cb 0.25 -4.28 -0.25 0.00 0.04 0.00 0.00 34.50 30.26 3fer s PRO 80 CO -0.15 -2.42 0.75 1.79 0.04 0.00 0.00 177.00 177.01 3fer h THR 81 N 6.46 1.02 -3.42 1.26 1.35 -1.99 -3.45 112.91 114.14 3fer h THR 81 Ca -0.27 -2.75 -0.53 0.00 -0.55 0.00 0.00 66.41 62.31 3fer h THR 81 Cb 1.11 2.61 -0.02 0.00 -1.73 0.00 0.00 68.15 70.11 3fer h THR 81 CO 1.25 0.73 -0.10 -0.36 -0.25 0.00 0.00 175.52 176.79 3fer s PHE 82 N -2.61 3.43 0.36 4.73 0.08 -1.26 -4.99 117.98 117.73 3fer s PHE 82 Ca -0.09 0.86 0.06 0.00 0.12 0.00 0.00 56.93 57.88 3fer s PHE 82 Cb 0.07 -2.25 0.74 0.00 -0.57 0.00 0.00 43.02 41.01 3fer s PHE 82 CO 0.83 0.22 1.96 -0.09 -0.10 0.00 0.00 175.22 178.03 3fer h ARG 83 N 2.28 0.74 -0.90 0.44 2.43 -2.02 -2.69 114.38 114.66 3fer h ARG 83 Ca -0.47 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.66 3fer h ARG 83 Cb 1.17 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 30.56 3fer h ARG 83 CO 0.68 0.49 0.00 0.94 -1.51 0.00 0.00 179.97 180.57 3fer n GLN 84 N -4.48 0.00 0.00 0.20 -0.06 -1.26 -1.25 117.38 110.53 3fer n GLN 84 Ca 0.11 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.11 3fer n GLN 84 Cb 0.23 -1.21 0.00 0.00 -4.06 0.00 0.00 30.24 25.20 3fer n GLN 84 CO 0.00 0.00 0.00 1.04 -0.20 0.00 0.00 177.06 177.90 3fer n GLN 86 N 0.71 0.00 -0.18 3.69 6.02 -1.01 -1.33 117.38 125.27 3fer n GLN 86 Ca 0.00 0.00 -0.10 0.00 -0.01 0.00 0.00 57.00 56.89 3fer n GLN 86 Cb 0.00 0.00 0.01 0.00 1.02 0.00 0.00 30.24 31.27 3fer n GLN 86 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 3fer h LEU 87 N 0.00 0.92 -0.67 1.08 3.38 -1.47 0.16 115.31 118.71 3fer h LEU 87 Ca 0.00 -0.31 -0.07 0.00 0.09 0.00 0.00 57.88 57.59 3fer h LEU 87 Cb 0.00 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.48 3fer h LEU 87 CO 0.00 1.00 0.13 -0.33 0.09 0.00 0.00 178.44 179.33 3fer h GLU 88 N 0.81 1.09 -0.23 1.13 5.08 -1.47 -0.39 114.58 120.60 3fer h GLU 88 Ca 0.15 -0.28 -0.01 0.00 -1.00 0.00 0.00 59.36 58.22 3fer h GLU 88 Cb 0.53 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 3fer h GLU 88 CO 0.03 0.99 0.11 -0.91 -1.00 0.00 0.00 179.01 178.22 3fer h ASN 89 N 1.01 0.30 -0.00 1.42 4.21 -1.69 -1.86 115.58 118.97 3fer h ASN 89 Ca 0.21 -0.12 -0.05 0.00 1.21 0.00 0.00 56.30 57.55 3fer h ASN 89 Cb 0.41 -0.08 -0.01 0.00 -1.12 0.00 0.00 38.32 37.52 3fer h ASN 89 CO 0.01 0.33 -0.12 0.58 -1.29 0.00 0.00 177.43 176.94 3fer h VAL 90 N 0.24 1.18 -0.62 2.81 2.07 -0.79 -1.67 116.25 119.47 3fer h VAL 90 Ca 0.08 -0.79 0.02 0.00 0.82 0.00 0.00 66.70 66.83 3fer h VAL 90 Cb 0.11 1.19 -0.03 0.00 -1.52 0.00 0.00 31.29 31.04 3fer h VAL 90 CO -0.01 0.25 0.41 0.28 0.02 0.00 0.00 177.57 178.52 3fer h SER 91 N 0.25 0.68 -0.48 0.57 0.02 -0.30 0.50 113.55 114.79 3fer h SER 91 Ca 0.05 -0.01 -0.12 0.00 -0.84 0.00 0.00 61.79 60.87 3fer h SER 91 Cb 0.37 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.73 3fer h SER 91 CO 0.02 0.48 -0.18 0.58 -1.14 0.00 0.00 176.83 176.59 3fer h VAL 92 N 0.79 1.27 -0.44 2.27 2.07 -0.59 0.90 116.25 122.52 3fer h VAL 92 Ca 0.24 -1.33 -0.14 0.00 0.82 0.00 0.00 66.70 66.29 3fer h VAL 92 Cb -0.02 1.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.87 3fer h VAL 92 CO -0.06 0.46 -0.27 0.00 0.02 0.00 0.00 177.57 177.72 3fer h ALA 93 N 0.87 0.69 -0.12 1.67 0.00 -0.92 -1.81 119.26 119.64 3fer h ALA 93 Ca 0.11 -0.41 -0.17 0.00 0.00 0.00 0.00 54.91 54.44 3fer h ALA 93 Cb 0.75 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 3fer h ALA 93 CO 0.06 0.67 -0.64 -0.07 0.00 0.00 0.00 179.25 179.27 3fer h LEU 94 N 0.80 0.53 -0.69 0.00 3.38 0.15 -2.17 115.31 117.31 3fer h LEU 94 Ca 0.09 -0.32 -0.12 0.00 0.09 0.00 0.00 57.88 57.63 3fer h LEU 94 Cb 0.84 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 3fer h LEU 94 CO 0.07 1.03 -0.26 -0.08 0.09 0.00 0.00 178.44 179.30 3fer h GLU 95 N 0.34 0.73 -0.34 1.13 4.57 -0.80 -1.40 114.58 118.81 3fer h GLU 95 Ca -0.01 -0.31 0.04 0.00 -1.18 0.00 0.00 59.36 57.90 3fer h GLU 95 Cb 1.19 -0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 29.72 3fer h GLU 95 CO 0.11 0.91 0.12 0.35 -1.18 0.00 0.00 179.01 179.33 3fer h PHE 96 N 0.63 0.23 -0.79 0.92 3.57 -1.13 0.32 116.94 120.69 3fer h PHE 96 Ca 0.08 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.55 3fer h PHE 96 Cb 0.77 -0.05 -0.03 0.00 2.79 0.00 0.00 35.95 39.42 3fer h PHE 96 CO 0.04 0.10 0.29 -0.07 -2.23 0.00 0.00 178.31 176.44 3fer h LEU 97 N 0.27 1.11 -0.70 0.59 3.38 -1.17 -2.01 115.31 116.77 3fer h LEU 97 Ca 0.15 -0.19 0.02 0.00 0.09 0.00 0.00 57.88 57.95 3fer h LEU 97 Cb 0.11 -0.29 -0.04 0.00 0.09 0.00 0.00 40.66 40.54 3fer h LEU 97 CO -0.15 0.99 0.46 -0.78 0.09 0.00 0.00 178.44 179.06 3fer h ASP 98 N 1.16 0.77 0.47 -0.43 1.82 -0.57 -1.66 116.42 117.98 3fer h ASP 98 Ca 0.26 -0.01 -0.10 0.00 -0.39 0.00 0.00 57.03 56.79 3fer h ASP 98 Cb 0.25 -0.18 -0.01 0.00 0.68 0.00 0.00 39.33 40.06 3fer h ASP 98 CO -0.02 0.55 -0.48 0.03 -1.61 0.00 0.00 179.24 177.71 3fer h ARG 99 N 0.91 0.01 -0.01 0.28 3.08 -0.62 -2.36 114.38 115.68 3fer h ARG 99 Ca 0.27 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.31 3fer h ARG 99 Cb -0.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.00 3fer h ARG 99 CO -0.08 0.49 0.00 0.39 -1.07 0.00 0.00 179.97 179.70 3fer n GLU 100 N -3.97 1.15 -2.25 0.04 -0.58 -0.79 -4.89 120.64 109.35 3fer n GLU 100 Ca -0.02 -0.22 -0.14 0.00 -0.42 0.00 0.00 57.16 56.37 3fer n GLU 100 Cb 0.50 -1.48 -0.01 0.00 -0.57 0.00 0.00 31.44 29.89 3fer n GLU 100 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 3fer n SER 101 N -0.72 -4.21 -4.38 1.62 7.64 -0.89 -4.97 113.62 107.72 3fer n SER 101 Ca 0.22 -0.01 -0.45 0.00 1.01 0.00 0.00 58.87 59.64 3fer n SER 101 Cb 0.16 -3.38 -0.05 0.00 -1.01 0.00 0.00 64.21 59.93 3fer n SER 101 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3fer s ILE 102 N -2.68 4.86 0.06 0.44 1.01 -0.67 -5.03 121.20 119.18 3fer s ILE 102 Ca 0.00 -0.99 -0.31 0.00 0.00 0.00 0.00 60.65 59.36 3fer s ILE 102 Cb 0.00 -4.46 -0.07 0.00 0.01 0.00 0.00 42.46 37.94 3fer s ILE 102 CO 0.00 -1.07 1.53 -0.54 0.00 0.00 0.00 174.94 174.86 3fer s LYS 103 N 2.59 4.24 0.20 2.79 1.02 -1.26 -4.55 119.74 124.77 3fer s LYS 103 Ca 0.11 2.18 0.06 0.00 0.02 0.00 0.00 55.97 58.34 3fer s LYS 103 Cb -0.24 -3.51 -0.04 0.00 -0.52 0.00 0.00 37.83 33.52 3fer s LYS 103 CO 0.06 -0.64 0.18 -0.51 -0.92 0.00 0.00 175.35 173.53 3fer s LEU 104 N 2.26 3.86 -0.35 3.17 1.43 -1.26 -5.04 118.68 122.74 3fer s LEU 104 Ca 0.69 -0.16 -0.12 0.00 -1.03 0.00 0.00 54.13 53.52 3fer s LEU 104 Cb -0.37 -2.43 0.01 0.00 0.03 0.00 0.00 46.19 43.43 3fer s LEU 104 CO 0.30 0.02 0.21 0.68 0.23 0.00 0.00 176.35 177.79 3fer s VAL 105 N -1.92 4.82 -1.51 -1.59 -7.23 -1.26 -4.61 120.40 107.10 3fer s VAL 105 Ca 0.32 -0.57 -0.13 0.00 -1.81 0.00 0.00 61.98 59.79 3fer s VAL 105 Cb -0.09 -3.58 0.08 0.00 0.56 0.00 0.00 36.38 33.35 3fer s VAL 105 CO 0.24 -0.11 0.91 -1.20 -0.31 0.00 0.00 175.10 174.63 3fer n SER 106 N 5.04 -4.85 -4.44 4.85 7.64 -1.26 -4.90 113.62 115.71 3fer n SER 106 Ca -0.12 -0.70 -0.33 0.00 1.01 0.00 0.00 58.87 58.73 3fer n SER 106 Cb 0.48 -3.88 -0.13 0.00 -1.01 0.00 0.00 64.21 59.66 3fer n SER 106 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3fer s ILE 107 N -3.25 3.36 0.29 0.44 1.01 -1.26 -5.02 121.20 116.77 3fer s ILE 107 Ca 0.62 -0.56 0.02 0.00 0.00 0.00 0.00 60.65 60.73 3fer s ILE 107 Cb -0.31 -2.42 -0.05 0.00 0.01 0.00 0.00 42.46 39.69 3fer s ILE 107 CO 0.76 0.53 0.10 1.51 0.00 0.00 0.00 174.94 177.84 3fer s ASP 108 N 0.15 1.62 0.23 3.58 1.47 -1.26 -5.05 116.67 117.40 3fer s ASP 108 Ca -0.05 -1.43 -0.06 0.00 1.18 0.00 0.00 52.55 52.19 3fer s ASP 108 Cb -0.14 0.17 0.22 0.00 -0.34 0.00 0.00 42.92 42.82 3fer s ASP 108 CO 0.04 -0.74 1.76 0.77 0.68 0.00 0.00 175.17 177.68 3fer h SER 109 N 2.26 0.98 -0.84 2.11 4.64 -1.93 -2.81 113.55 117.96 3fer h SER 109 Ca -0.38 -0.19 0.17 0.00 -0.47 0.00 0.00 61.79 60.92 3fer h SER 109 Cb 1.25 -0.26 -0.06 0.00 -0.31 0.00 0.00 62.40 63.02 3fer h SER 109 CO 0.61 0.93 0.56 0.50 -0.87 0.00 0.00 176.83 178.56 3fer h LYS 110 N 1.00 0.44 -0.24 4.77 3.64 -1.97 -1.84 116.57 122.37 3fer h LYS 110 Ca 0.21 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.55 3fer h LYS 110 Cb 0.33 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.04 3fer h LYS 110 CO -0.00 0.29 0.07 0.00 -2.27 0.00 0.00 179.45 177.54 3fer h ALA 111 N 1.62 0.31 0.46 5.00 0.00 -1.89 -1.62 119.26 123.14 3fer h ALA 111 Ca 0.43 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.17 3fer h ALA 111 Cb 0.98 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.69 3fer h ALA 111 CO -0.16 -0.06 -0.22 0.82 0.00 0.00 0.00 179.25 179.63 3fer h ILE 112 N 0.22 0.37 -0.84 0.00 1.08 -1.47 -1.88 117.51 114.99 3fer h ILE 112 Ca 0.08 -0.51 0.13 0.00 -0.39 0.00 0.00 64.86 64.17 3fer h ILE 112 Cb 0.24 0.54 -0.06 0.00 -3.07 0.00 0.00 36.82 34.47 3fer h ILE 112 CO -0.00 0.06 0.55 0.58 -0.69 0.00 0.00 178.15 178.65 3fer h VAL 113 N -0.98 0.86 -0.01 1.67 2.07 -1.42 -1.82 116.25 116.62 3fer h VAL 113 Ca -0.06 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 67.23 3fer h VAL 113 Cb 0.58 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 30.50 3fer h VAL 113 CO 0.10 0.12 -0.04 0.47 0.02 0.00 0.00 177.57 178.24 3fer n ASP 114 N -4.53 0.66 -1.63 0.57 8.00 -0.61 -4.85 116.55 114.17 3fer n ASP 114 Ca 0.16 -1.01 -0.08 0.00 0.71 0.00 0.00 54.79 54.57 3fer n ASP 114 Cb 0.44 -0.02 0.03 0.00 -0.02 0.00 0.00 41.12 41.55 3fer n ASP 114 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3fer n GLY 115 N 1.16 0.38 3.56 0.44 0.00 -0.68 -4.94 105.19 105.11 3fer n GLY 115 Ca 0.19 -0.34 -0.38 0.00 0.00 0.00 0.00 46.02 45.49 3fer n GLY 115 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3fer s ASN 116 N -3.18 6.24 0.20 1.61 3.84 -0.72 -4.87 114.94 118.05 3fer s ASN 116 Ca 0.16 -1.35 -0.18 0.00 0.21 0.00 0.00 52.86 51.70 3fer s ASN 116 Cb -0.07 -2.57 0.18 0.00 -0.55 0.00 0.00 41.25 38.24 3fer s ASN 116 CO 0.25 -1.75 1.58 0.25 -2.79 0.00 0.00 177.10 174.64 3fer h LEU 117 N 13.83 -1.14 -1.45 3.21 5.85 -1.88 -1.41 115.31 132.31 3fer h LEU 117 Ca 0.19 0.25 0.04 0.00 0.84 0.00 0.00 57.88 59.20 3fer h LEU 117 Cb 1.00 0.60 -0.04 0.00 0.37 0.00 0.00 40.66 42.59 3fer h LEU 117 CO 1.39 -0.29 0.41 0.50 -0.34 0.00 0.00 178.44 180.11 3fer h LYS 118 N -0.10 0.68 0.02 1.25 3.64 -1.99 -1.82 116.57 118.24 3fer h LYS 118 Ca 0.28 -0.04 -0.23 0.00 -1.27 0.00 0.00 60.65 59.39 3fer h LYS 118 Cb 0.56 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 32.20 3fer h LYS 118 CO -0.77 0.45 -1.16 -0.07 -2.27 0.00 0.00 179.45 175.64 3fer h LEU 119 N 0.70 0.07 -0.71 5.20 3.38 -1.68 -2.77 115.31 119.49 3fer h LEU 119 Ca 0.26 -0.09 -0.12 0.00 0.09 0.00 0.00 57.88 58.03 3fer h LEU 119 Cb 0.14 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 3fer h LEU 119 CO -0.07 1.07 -0.55 0.16 0.09 0.00 0.00 178.44 179.13 3fer h ILE 120 N 0.01 1.22 -0.33 1.22 -0.00 -1.05 -2.00 117.51 116.58 3fer h ILE 120 Ca -0.08 -2.01 -0.10 0.00 -0.00 0.00 0.00 64.86 62.67 3fer h ILE 120 Cb 1.84 2.14 -0.01 0.00 -0.00 0.00 0.00 36.82 40.79 3fer h ILE 120 CO 0.13 0.54 -0.22 -0.07 -0.00 0.00 0.00 178.15 178.53 3fer h LEU 121 N 0.00 0.63 -0.84 0.16 3.38 -1.35 -0.53 115.31 116.77 3fer h LEU 121 Ca -0.01 -0.22 -0.04 0.00 0.09 0.00 0.00 57.88 57.71 3fer h LEU 121 Cb 1.10 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.64 3fer h LEU 121 CO 0.07 0.85 0.35 1.23 0.09 0.00 0.00 178.44 181.03 3fer h GLY 122 N 0.99 1.29 0.92 0.83 0.00 -1.15 -1.53 103.07 104.41 3fer h GLY 122 Ca 0.08 -0.68 -0.01 0.00 0.00 0.00 0.00 47.33 46.72 3fer h GLY 122 CO 0.05 0.64 0.11 -2.00 0.00 0.00 0.00 176.54 175.35 3fer h LEU 123 N 1.17 0.37 -0.93 3.11 5.85 -0.64 -0.46 115.31 123.78 3fer h LEU 123 Ca 0.27 -0.15 -0.02 0.00 0.84 0.00 0.00 57.88 58.82 3fer h LEU 123 Cb 0.18 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.08 3fer h LEU 123 CO -0.03 0.42 0.47 0.58 -0.34 0.00 0.00 178.44 179.54 3fer h VAL 124 N 0.29 1.26 -0.54 1.05 2.07 -0.85 -0.92 116.25 118.60 3fer h VAL 124 Ca 0.09 -0.65 -0.09 0.00 0.82 0.00 0.00 66.70 66.87 3fer h VAL 124 Cb 0.16 0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 29.99 3fer h VAL 124 CO -0.01 0.29 -0.01 -0.25 0.02 0.00 0.00 177.57 177.61 3fer h TRP 125 N 1.23 1.01 -0.30 1.57 2.91 -1.05 0.15 115.95 121.47 3fer h TRP 125 Ca 0.31 -0.16 0.01 0.00 1.13 0.00 0.00 58.89 60.18 3fer h TRP 125 Cb 0.04 -0.27 -0.02 0.00 -0.51 0.00 0.00 29.16 28.40 3fer h TRP 125 CO 0.01 0.92 0.17 1.15 -1.03 0.00 0.00 178.44 179.65 3fer h THR 126 N 0.86 1.02 -0.53 2.65 2.02 -0.15 0.31 112.91 119.09 3fer h THR 126 Ca 0.16 -0.12 -0.04 0.00 0.77 0.00 0.00 66.41 67.18 3fer h THR 126 Cb 0.53 0.64 -0.02 0.00 -1.74 0.00 0.00 68.15 67.56 3fer h THR 126 CO 0.03 0.06 0.17 -0.07 0.37 0.00 0.00 175.52 176.09 3fer h LEU 127 N 0.35 0.76 -0.23 2.58 3.38 -0.89 -0.41 115.31 120.84 3fer h LEU 127 Ca 0.12 -0.20 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 3fer h LEU 127 Cb 0.01 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 3fer h LEU 127 CO -0.06 0.75 0.14 0.40 0.09 0.00 0.00 178.44 179.76 3fer h ILE 128 N 0.72 1.09 -0.58 1.22 2.04 -0.32 -1.22 117.51 120.47 3fer h ILE 128 Ca 0.17 -0.22 -0.02 0.00 1.00 0.00 0.00 64.86 65.79 3fer h ILE 128 Cb 0.26 0.82 -0.03 0.00 -0.74 0.00 0.00 36.82 37.13 3fer h ILE 128 CO -0.01 0.09 0.28 0.25 0.00 0.00 0.00 178.15 178.76 3fer h LEU 129 N 0.29 0.75 0.44 1.44 5.85 -0.15 0.18 115.31 124.11 3fer h LEU 129 Ca 0.08 -0.13 -0.02 0.00 0.84 0.00 0.00 57.88 58.65 3fer h LEU 129 Cb 0.02 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 40.86 3fer h LEU 129 CO -0.02 0.67 -0.21 -0.74 -0.34 0.00 0.00 178.44 177.80 3fer h HIS 130 N 0.78 -0.55 -0.00 1.25 2.76 -0.93 -1.66 115.15 116.81 3fer h HIS 130 Ca 0.20 -0.01 -0.10 0.00 -2.20 0.00 0.00 60.37 58.25 3fer h HIS 130 Cb 0.11 0.18 -0.01 0.00 1.55 0.00 0.00 27.41 29.24 3fer h HIS 130 CO -0.00 -0.34 -0.48 1.88 -1.30 0.00 0.00 177.93 177.69 3fer h TYR 131 N -0.83 0.01 0.00 5.26 0.05 -1.31 -3.07 116.97 117.07 3fer h TYR 131 Ca -0.06 -0.00 -0.20 0.00 0.05 0.00 0.00 58.73 58.52 3fer h TYR 131 Cb 0.45 -0.00 -0.04 0.00 1.01 0.00 0.00 36.73 38.16 3fer h TYR 131 CO 0.05 0.48 -1.79 0.43 -1.05 0.00 0.00 178.16 176.28 3fer n SER 132 N -3.97 0.48 0.00 3.88 7.64 0.05 -4.26 113.62 117.44 3fer n SER 132 Ca -0.02 0.21 0.00 0.00 1.01 0.00 0.00 58.87 60.08 3fer n SER 132 Cb 0.50 0.69 0.00 0.00 -1.01 0.00 0.00 64.21 64.39 3fer n SER 132 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 3fer n ILE 133 N -2.75 0.00 0.38 0.44 5.41 -1.01 -4.74 119.36 117.09 3fer n ILE 133 Ca -0.15 0.00 0.03 0.00 1.00 0.00 0.00 62.75 63.62 3fer n ILE 133 Cb 0.89 -1.45 0.16 0.00 -0.71 0.00 0.00 39.64 38.53 3fer n ILE 133 CO 0.00 0.00 0.00 -1.20 0.00 0.00 0.00 176.55 175.35 3fer n SER 134 N -2.98 0.00 -0.84 4.38 7.64 -0.66 -4.99 113.62 116.18 3fer n SER 134 Ca 0.00 -0.21 0.00 0.00 1.01 0.00 0.00 58.87 59.67 3fer n SER 134 Cb 0.48 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.68 3fer n SER 134 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 3fer n PRO 136 N -0.95 0.00 -3.33 1.43 -0.02 -1.26 -5.07 135.00 125.80 3fer n PRO 136 Ca 0.04 0.00 -0.38 0.00 -2.02 0.00 0.00 63.50 61.14 3fer n PRO 136 Cb 0.02 -0.42 -0.06 0.00 -0.02 0.00 0.00 33.50 33.02 3fer n PRO 136 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3fer s VAL 137 N -3.24 5.15 -0.09 -1.45 0.11 -1.26 -5.06 120.40 114.55 3fer s VAL 137 Ca 0.00 0.96 0.02 0.00 -2.93 0.00 0.00 61.98 60.03 3fer s VAL 137 Cb 0.00 -3.81 0.01 0.00 -1.53 0.00 0.00 36.38 31.05 3fer s VAL 137 CO 0.00 0.36 -0.13 0.26 -3.33 0.00 0.00 175.10 172.26 3fer s TRP 138 N 0.35 1.71 0.00 1.54 0.51 -1.26 -4.89 118.94 116.90 3fer s TRP 138 Ca 0.26 -0.72 0.00 0.00 -2.12 0.00 0.00 56.10 53.52 3fer s TRP 138 Cb -0.16 -1.25 0.00 0.00 -0.81 0.00 0.00 33.47 31.26 3fer s TRP 138 CO 0.11 -0.38 0.00 -0.85 -0.51 0.00 0.00 176.95 175.32 3fer n GLU 139 N 4.05 2.54 -1.47 4.98 0.28 -1.26 -4.43 120.64 125.32 3fer n GLU 139 Ca -0.20 0.00 -0.17 0.00 -0.16 0.00 0.00 57.16 56.63 3fer n GLU 139 Cb 0.51 0.00 -0.07 0.00 1.43 0.00 0.00 31.44 33.31 3fer n GLU 139 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 3fer n ASP 140 N 0.00 -4.94 -2.93 -1.84 2.03 -1.26 -4.01 116.55 103.60 3fer n ASP 140 Ca 0.00 0.41 -0.29 0.00 0.52 0.00 0.00 54.79 55.43 3fer n ASP 140 Cb 0.00 -4.25 0.03 0.00 -0.72 0.00 0.00 41.12 36.17 3fer n ASP 140 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 3fer n GLU 141 N -1.91 -1.42 -3.00 -0.67 4.07 -1.26 -4.98 120.64 111.47 3fer n GLU 141 Ca -0.17 1.02 -0.16 0.00 -0.06 0.00 0.00 57.16 57.80 3fer n GLU 141 Cb 0.59 -1.50 -0.02 0.00 -0.06 0.00 0.00 31.44 30.45 3fer n GLU 141 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3fer n GLY 142 N -0.23 1.29 2.95 8.31 0.00 -1.26 -4.94 105.19 111.32 3fer n GLY 142 Ca -0.08 -0.65 -0.13 0.00 0.00 0.00 0.00 46.02 45.16 3fer n GLY 142 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3fer n LYS 148 N 1.86 -2.59 -3.56 1.61 2.85 -1.26 -2.85 118.16 114.22 3fer n LYS 148 Ca 0.17 0.22 -0.14 0.00 -1.05 0.00 0.00 58.31 57.51 3fer n LYS 148 Cb 0.56 -4.78 -0.06 0.00 -0.65 0.00 0.00 35.03 30.10 3fer n LYS 148 CO 0.00 0.00 0.00 1.14 -0.05 0.00 0.00 177.40 178.49 3fer s GLN 149 N -5.52 0.78 0.79 -1.58 -2.07 -1.26 -5.15 119.66 105.65 3fer s GLN 149 Ca 0.20 0.28 -0.14 0.00 -1.82 0.00 0.00 55.36 53.88 3fer s GLN 149 Cb -0.11 0.37 0.05 0.00 -1.09 0.00 0.00 33.01 32.23 3fer s GLN 149 CO 0.24 -0.22 1.01 -2.37 -1.32 0.00 0.00 175.29 172.62 3fer n THR 150 N 1.05 2.03 -0.23 3.63 5.66 -1.26 -4.75 114.28 120.41 3fer n THR 150 Ca -0.14 -0.26 -0.05 0.00 -3.05 0.00 0.00 64.05 60.55 3fer n THR 150 Cb 0.57 -1.08 0.06 0.00 -1.55 0.00 0.00 70.33 68.33 3fer n THR 150 CO 0.00 0.00 0.00 -0.65 -3.05 0.00 0.00 175.07 171.37 3fer h PRO 151 N -0.75 0.82 -0.97 1.09 0.11 -1.96 -1.49 132.00 128.84 3fer h PRO 151 Ca -0.46 -0.05 0.15 0.00 0.11 0.00 0.00 66.00 65.75 3fer h PRO 151 Cb 1.31 -0.18 -0.09 0.00 0.11 0.00 0.00 31.00 32.15 3fer h PRO 151 CO 0.45 0.54 0.61 -0.22 -0.21 0.00 0.00 178.00 179.17 3fer h LYS 152 N 0.84 0.79 -0.31 1.05 3.64 -1.99 -0.92 116.57 119.66 3fer h LYS 152 Ca 0.25 -0.05 -0.07 0.00 -1.27 0.00 0.00 60.65 59.51 3fer h LYS 152 Cb -0.04 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.60 3fer h LYS 152 CO -0.08 0.52 -0.09 1.96 -2.27 0.00 0.00 179.45 179.49 3fer h GLN 153 N 0.81 0.61 -0.12 1.90 4.20 -1.64 -1.37 115.11 119.51 3fer h GLN 153 Ca 0.51 -0.24 0.02 0.00 0.06 0.00 0.00 58.65 59.01 3fer h GLN 153 Cb 0.72 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.45 3fer h GLN 153 CO -0.28 0.81 -0.04 -0.09 -0.67 0.00 0.00 178.83 178.56 3fer h ARG 154 N 0.38 -0.01 -0.53 1.46 2.43 -0.47 0.63 114.38 118.26 3fer h ARG 154 Ca 0.08 0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.18 3fer h ARG 154 Cb 0.59 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.12 3fer h ARG 154 CO 0.03 -0.01 0.06 1.25 -1.51 0.00 0.00 179.97 179.80 3fer h LEU 155 N -0.01 0.87 -1.27 3.80 5.85 -1.34 -0.60 115.31 122.61 3fer h LEU 155 Ca 0.06 -0.27 -0.04 0.00 0.84 0.00 0.00 57.88 58.47 3fer h LEU 155 Cb 0.10 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.88 3fer h LEU 155 CO -0.13 0.92 0.07 0.25 -0.34 0.00 0.00 178.44 179.22 3fer h LEU 156 N 0.78 0.53 -0.22 2.25 5.85 -0.84 -1.26 115.31 122.40 3fer h LEU 156 Ca 0.16 -0.08 -0.16 0.00 0.84 0.00 0.00 57.88 58.63 3fer h LEU 156 Cb 0.44 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.34 3fer h LEU 156 CO 0.02 0.55 -0.50 1.23 -0.34 0.00 0.00 178.44 179.39 3fer h GLY 157 N 0.81 0.81 0.88 3.75 0.00 0.73 -2.04 103.07 108.01 3fer h GLY 157 Ca 0.13 -0.98 -0.01 0.00 0.00 0.00 0.00 47.33 46.47 3fer h GLY 157 CO 0.00 0.88 0.06 -0.25 0.00 0.00 0.00 176.54 177.23 3fer h TRP 158 N 0.46 0.24 -0.18 5.60 7.01 -0.72 -2.23 115.95 126.13 3fer h TRP 158 Ca -0.00 -0.02 0.01 0.00 2.11 0.00 0.00 58.89 60.99 3fer h TRP 158 Cb 1.12 -0.07 -0.01 0.00 -2.10 0.00 0.00 29.16 28.09 3fer h TRP 158 CO 0.09 0.31 0.10 0.82 -2.79 0.00 0.00 178.44 176.97 3fer h ILE 159 N 0.10 1.01 -0.92 2.65 2.04 -1.30 -1.99 117.51 119.11 3fer h ILE 159 Ca 0.05 -0.07 0.09 0.00 1.00 0.00 0.00 64.86 65.93 3fer h ILE 159 Cb 0.17 0.78 -0.07 0.00 -0.74 0.00 0.00 36.82 36.97 3fer h ILE 159 CO -0.00 0.04 0.60 -0.61 0.00 0.00 0.00 178.15 178.17 3fer h GLN 160 N 0.21 0.94 -0.40 2.37 5.75 -1.25 -0.22 115.11 122.51 3fer h GLN 160 Ca 0.07 -0.06 -0.09 0.00 -0.15 0.00 0.00 58.65 58.42 3fer h GLN 160 Cb 0.00 -0.21 -0.02 0.00 1.07 0.00 0.00 27.48 28.32 3fer h GLN 160 CO -0.04 0.62 -0.12 -0.97 -2.65 0.00 0.00 178.83 175.68 3fer h ASN 161 N 0.97 0.70 -0.50 -0.69 -0.73 -1.00 -2.18 115.58 112.16 3fer h ASN 161 Ca 0.42 -0.21 -0.06 0.00 1.87 0.00 0.00 56.30 58.32 3fer h ASN 161 Cb 0.33 -0.19 -0.02 0.00 0.27 0.00 0.00 38.32 38.71 3fer h ASN 161 CO -0.18 0.85 0.06 0.11 -0.37 0.00 0.00 177.43 177.90 3fer h LYS 162 N 0.65 0.84 -2.33 6.67 1.79 -0.32 -3.36 116.57 120.52 3fer h LYS 162 Ca 0.11 -0.24 -0.59 0.00 -2.18 0.00 0.00 60.65 57.75 3fer h LYS 162 Cb 0.58 -0.09 -0.40 0.00 -1.58 0.00 0.00 32.23 30.73 3fer h LYS 162 CO 0.04 0.84 -0.80 0.44 -1.08 0.00 0.00 179.45 178.89 3fer n ILE 163 N -4.39 0.78 0.13 1.86 -0.00 -0.84 -4.86 119.36 112.04 3fer n ILE 163 Ca 0.01 -4.53 0.01 0.00 -0.00 0.00 0.00 62.75 58.25 3fer n ILE 163 Cb 0.27 -2.01 0.07 0.00 -0.00 0.00 0.00 39.64 37.97 3fer n ILE 163 CO 0.00 0.00 0.00 -0.81 -0.00 0.00 0.00 176.55 175.74 3fer n PRO 164 N 1.52 0.05 -0.31 6.28 -0.04 -0.83 -2.25 135.00 139.41 3fer n PRO 164 Ca 0.25 0.19 0.12 0.00 -0.04 0.00 0.00 63.50 64.02 3fer n PRO 164 Cb 0.45 -1.50 0.29 0.00 -0.04 0.00 0.00 33.50 32.69 3fer n PRO 164 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3fer n TYR 165 N -1.21 0.82 -4.62 0.54 4.01 -1.26 -4.86 117.16 110.58 3fer n TYR 165 Ca 0.01 -0.41 -0.24 0.00 -0.16 0.00 0.00 57.90 57.10 3fer n TYR 165 Cb 0.02 -0.00 -0.16 0.00 -0.31 0.00 0.00 39.34 38.88 3fer n TYR 165 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3fer s LEU 166 N -1.18 1.73 -0.67 7.72 1.02 -0.96 -5.08 118.68 121.26 3fer s LEU 166 Ca 0.46 -0.30 -0.27 0.00 0.02 0.00 0.00 54.13 54.04 3fer s LEU 166 Cb 0.25 -0.83 0.02 0.00 0.02 0.00 0.00 46.19 45.65 3fer s LEU 166 CO 0.33 0.06 1.37 -2.16 0.02 0.00 0.00 176.35 175.97 3fer s PRO 167 N 0.46 3.18 -0.53 1.29 0.04 -1.26 -4.94 135.00 133.24 3fer s PRO 167 Ca -0.11 0.06 -0.16 0.00 0.04 0.00 0.00 61.00 60.83 3fer s PRO 167 Cb -0.14 -4.18 0.11 0.00 0.04 0.00 0.00 34.50 30.33 3fer s PRO 167 CO 0.03 -2.13 0.51 0.42 0.04 0.00 0.00 177.00 175.88 3fer s ILE 168 N 6.13 5.14 -0.12 0.56 -1.09 -1.26 -4.84 121.20 125.71 3fer s ILE 168 Ca 0.43 -1.26 0.03 0.00 -2.23 0.00 0.00 60.65 57.62 3fer s ILE 168 Cb -0.09 -4.31 -0.04 0.00 -1.58 0.00 0.00 42.46 36.44 3fer s ILE 168 CO 0.19 -0.84 0.13 0.41 -1.23 0.00 0.00 174.94 173.60 3fer n THR 169 N 5.30 0.00 -4.19 2.92 -1.04 -1.26 -4.85 114.28 111.17 3fer n THR 169 Ca -0.13 -0.34 -0.17 0.00 -2.04 0.00 0.00 64.05 61.37 3fer n THR 169 Cb 0.42 0.86 -0.06 0.00 -1.82 0.00 0.00 70.33 69.73 3fer n THR 169 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 3fer s ASN 170 N -1.57 1.39 -0.22 8.00 2.20 -1.26 -5.06 114.94 118.42 3fer s ASN 170 Ca 0.01 -1.66 0.11 0.00 -0.94 0.00 0.00 52.86 50.38 3fer s ASN 170 Cb 0.02 0.63 0.42 0.00 -2.00 0.00 0.00 41.25 40.33 3fer s ASN 170 CO 0.14 -1.21 1.23 0.49 -2.94 0.00 0.00 177.10 174.81 3fer n PHE 171 N -0.62 0.09 0.00 1.54 3.72 -1.26 -4.66 117.46 116.27 3fer n PHE 171 Ca 0.04 -1.52 0.00 0.00 -0.05 0.00 0.00 57.45 55.93 3fer n PHE 171 Cb 0.62 -0.26 0.00 0.00 -0.94 0.00 0.00 39.48 38.89 3fer n PHE 171 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98 3fer n ASN 172 N -1.11 0.00 -0.17 4.37 0.23 -1.26 -4.35 115.26 112.97 3fer n ASN 172 Ca 0.20 0.00 0.15 0.00 -0.53 0.00 0.00 54.58 54.40 3fer n ASN 172 Cb 0.71 0.00 0.50 0.00 -2.08 0.00 0.00 39.78 38.91 3fer n ASN 172 CO 0.00 0.00 0.00 -0.61 -0.93 0.00 0.00 177.26 175.72 3fer h GLN 173 N 0.00 0.41 0.00 -3.83 5.75 -1.94 -1.43 115.11 114.07 3fer h GLN 173 Ca 0.00 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.48 3fer h GLN 173 Cb 0.00 -0.09 0.00 0.00 1.07 0.00 0.00 27.48 28.46 3fer h GLN 173 CO 0.00 0.27 0.00 -0.91 -2.65 0.00 0.00 178.83 175.54 3fer h ASN 174 N 0.42 0.00 -0.01 -0.69 2.35 -1.92 -2.79 115.58 112.94 3fer h ASN 174 Ca 0.37 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.12 3fer h ASN 174 Cb 0.84 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.21 3fer h ASN 174 CO -0.12 0.00 -0.42 0.79 -1.65 0.00 0.00 177.43 176.03 3fer n TRP 175 N -3.03 0.00 -0.24 1.19 7.02 -0.55 -4.59 117.44 117.24 3fer n TRP 175 Ca -0.02 0.00 0.04 0.00 -1.02 0.00 0.00 57.50 56.50 3fer n TRP 175 Cb 0.15 0.00 0.16 0.00 -2.42 0.00 0.00 31.31 29.20 3fer n TRP 175 CO 0.00 0.00 0.00 0.37 -2.02 0.00 0.00 177.69 176.04 3fer h GLN 176 N 1.25 0.40 0.00 -0.99 4.15 -1.42 -1.10 115.11 117.40 3fer h GLN 176 Ca 0.00 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.40 3fer h GLN 176 Cb 0.48 -0.09 0.00 0.00 0.21 0.00 0.00 27.48 28.08 3fer h GLN 176 CO 0.00 0.26 0.00 -0.40 -1.93 0.00 0.00 178.83 176.76 3fer n ASP 177 N -5.02 0.00 0.00 -0.69 5.68 -1.26 -4.75 116.55 110.50 3fer n ASP 177 Ca 0.13 0.09 0.00 0.00 -0.50 0.00 0.00 54.79 54.51 3fer n ASP 177 Cb 0.38 -0.36 0.00 0.00 -1.14 0.00 0.00 41.12 40.01 3fer n ASP 177 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3fer n GLY 178 N 1.09 1.39 0.23 6.12 0.00 -0.42 -4.23 105.19 109.37 3fer n GLY 178 Ca 0.11 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.96 3fer n GLY 178 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3fer h LYS 179 N 2.57 0.80 -0.16 1.61 1.57 -1.90 -3.17 116.57 117.90 3fer h LYS 179 Ca 0.00 -0.63 -0.01 0.00 -1.87 0.00 0.00 60.65 58.14 3fer h LYS 179 Cb 0.00 0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 3fer h LYS 179 CO 0.00 1.24 0.03 0.00 -0.57 0.00 0.00 179.45 180.15 3fer h ALA 180 N 0.59 1.77 -0.67 3.86 0.00 -1.88 -0.48 119.26 122.45 3fer h ALA 180 Ca -0.04 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.72 3fer h ALA 180 Cb 1.37 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 19.06 3fer h ALA 180 CO 0.15 0.19 0.14 -0.07 0.00 0.00 0.00 179.25 179.66 3fer h LEU 181 N 0.22 1.04 -0.52 0.00 3.38 -1.88 0.19 115.31 117.74 3fer h LEU 181 Ca 0.05 -0.25 -0.09 0.00 0.09 0.00 0.00 57.88 57.69 3fer h LEU 181 Cb 0.10 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 3fer h LEU 181 CO -0.00 1.02 -0.03 1.23 0.09 0.00 0.00 178.44 180.74 3fer h GLY 182 N 1.01 1.02 1.02 0.83 0.00 -1.22 -1.74 103.07 103.99 3fer h GLY 182 Ca 0.21 -0.77 -0.02 0.00 0.00 0.00 0.00 47.33 46.75 3fer h GLY 182 CO 0.01 0.71 0.43 0.00 0.00 0.00 0.00 176.54 177.69 3fer h ALA 183 N 0.93 1.01 -0.04 3.60 0.00 -0.68 -0.78 119.26 123.31 3fer h ALA 183 Ca 0.14 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 3fer h ALA 183 Cb 0.57 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 3fer h ALA 183 CO 0.03 0.52 0.01 1.25 0.00 0.00 0.00 179.25 181.06 3fer h LEU 184 N 1.09 0.06 -0.22 0.00 5.85 -0.37 -1.03 115.31 120.69 3fer h LEU 184 Ca 0.28 -0.25 0.00 0.00 0.84 0.00 0.00 57.88 58.75 3fer h LEU 184 Cb 0.04 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 3fer h LEU 184 CO -0.04 0.29 0.14 0.58 -0.34 0.00 0.00 178.44 179.07 3fer h VAL 185 N -0.18 1.06 0.00 1.05 2.07 -1.15 -1.94 116.25 117.17 3fer h VAL 185 Ca 0.01 -0.13 -0.04 0.00 0.82 0.00 0.00 66.70 67.36 3fer h VAL 185 Cb 0.26 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 30.78 3fer h VAL 185 CO 0.00 0.06 -0.21 -0.78 0.02 0.00 0.00 177.57 176.66 3fer h ASP 186 N 0.29 0.00 -0.45 0.57 3.58 -1.13 -1.96 116.42 117.32 3fer h ASP 186 Ca 0.08 0.00 -0.10 0.00 0.42 0.00 0.00 57.03 57.43 3fer h ASP 186 Cb -0.02 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.01 3fer h ASP 186 CO -0.02 0.21 -0.08 -1.28 -2.88 0.00 0.00 179.24 175.20 3fer h SER 187 N 0.00 0.89 -0.25 2.28 0.87 -0.44 -0.45 113.55 116.45 3fer h SER 187 Ca -0.00 -0.27 -0.15 0.00 -1.23 0.00 0.00 61.79 60.14 3fer h SER 187 Cb 0.40 -0.24 -0.00 0.00 -0.44 0.00 0.00 62.40 62.12 3fer h SER 187 CO 0.03 1.00 -0.41 0.00 -0.53 0.00 0.00 176.83 176.91 3fer s ALA 189 N -4.16 1.73 -0.30 0.00 0.00 -0.79 -4.98 121.76 113.26 3fer s ALA 189 Ca -0.12 -2.50 -0.38 0.00 0.00 0.00 0.00 51.96 48.96 3fer s ALA 189 Cb 0.09 -1.73 -0.14 0.00 0.00 0.00 0.00 23.12 21.34 3fer s ALA 189 CO 0.85 -2.04 1.94 -2.30 0.00 0.00 0.00 175.76 174.21 3fer n PRO 190 N 3.19 1.16 0.00 0.00 -0.02 -0.19 -1.65 135.00 137.50 3fer n PRO 190 Ca 0.20 0.39 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 3fer n PRO 190 Cb 0.41 -2.25 0.00 0.00 -0.02 0.00 0.00 33.50 31.64 3fer n PRO 190 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3fer n GLY 191 N 5.27 1.50 0.12 -1.23 0.00 -1.26 -4.88 105.19 104.70 3fer n GLY 191 Ca 0.33 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.25 3fer n GLY 191 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3fer h LEU 192 N 0.00 0.30 -5.49 0.99 5.85 -1.59 -2.43 115.31 112.93 3fer h LEU 192 Ca 0.00 -0.26 -0.37 0.00 0.84 0.00 0.00 57.88 58.09 3fer h LEU 192 Cb 0.00 -0.09 -0.27 0.00 0.37 0.00 0.00 40.66 40.67 3fer h LEU 192 CO 0.00 1.10 -0.81 0.00 -0.34 0.00 0.00 178.44 178.39 3fer h PRO 194 N 3.31 0.14 -0.92 0.00 0.13 -1.81 -3.17 132.00 129.68 3fer h PRO 194 Ca -0.01 -0.02 -0.62 0.00 -0.87 0.00 0.00 66.00 64.48 3fer h PRO 194 Cb 1.01 -0.03 -0.36 0.00 0.13 0.00 0.00 31.00 31.76 3fer h PRO 194 CO 0.34 0.22 0.02 -0.40 -0.23 0.00 0.00 178.00 177.95 3fer n ASP 195 N -4.38 6.28 -0.05 1.44 5.68 -1.26 -4.63 116.55 119.64 3fer n ASP 195 Ca -0.01 -3.77 -0.04 0.00 -0.50 0.00 0.00 54.79 50.47 3fer n ASP 195 Cb 0.19 -0.66 0.19 0.00 -1.14 0.00 0.00 41.12 39.71 3fer n ASP 195 CO 0.00 0.00 0.00 4.11 -1.33 0.00 0.00 177.20 179.98 3fer h TRP 196 N 2.13 0.69 0.00 2.11 5.08 -1.90 -2.81 115.95 121.25 3fer h TRP 196 Ca 0.48 -0.11 -0.01 0.00 1.08 0.00 0.00 58.89 60.33 3fer h TRP 196 Cb 1.15 -0.18 -0.00 0.00 -3.00 0.00 0.00 29.16 27.12 3fer h TRP 196 CO 1.13 0.72 -0.05 1.49 -1.28 0.00 0.00 178.44 180.45 3fer h GLU 197 N 0.59 0.00 -0.07 0.12 4.81 -1.88 -0.27 114.58 117.88 3fer h GLU 197 Ca 0.11 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.34 3fer h GLU 197 Cb 0.52 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.90 3fer h GLU 197 CO 0.03 0.05 0.00 -1.13 -0.73 0.00 0.00 179.01 177.23 3fer n SER 198 N -3.52 2.34 -4.77 1.04 3.41 -1.06 -4.93 113.62 106.12 3fer n SER 198 Ca -0.02 -1.78 -0.40 0.00 -0.26 0.00 0.00 58.87 56.41 3fer n SER 198 Cb 0.17 -0.03 0.01 0.00 -0.26 0.00 0.00 64.21 64.10 3fer n SER 198 CO 0.00 0.00 0.00 0.26 -0.16 0.00 0.00 175.04 175.14 3fer s TRP 199 N -1.94 2.58 -0.32 7.33 0.51 -0.11 -4.92 118.94 122.08 3fer s TRP 199 Ca 0.33 1.30 -0.29 0.00 -2.12 0.00 0.00 56.10 55.32 3fer s TRP 199 Cb 0.20 -3.85 0.00 0.00 -0.81 0.00 0.00 33.47 29.02 3fer s TRP 199 CO 0.31 -2.68 1.31 0.34 -0.51 0.00 0.00 176.95 175.73 3fer s ASP 200 N -0.55 6.63 0.61 2.95 2.15 -1.26 -4.90 116.67 122.31 3fer s ASP 200 Ca 0.59 1.14 0.31 0.00 0.43 0.00 0.00 52.55 55.02 3fer s ASP 200 Cb -0.42 -2.54 1.69 0.00 -0.30 0.00 0.00 42.92 41.34 3fer s ASP 200 CO 0.55 -1.13 2.04 1.55 -0.17 0.00 0.00 175.17 178.01 3fer h PRO 201 N 9.46 0.00 -0.93 4.34 0.13 -1.91 -2.47 132.00 140.62 3fer h PRO 201 Ca -0.26 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.63 3fer h PRO 201 Cb 1.10 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.09 3fer h PRO 201 CO 1.04 0.00 0.30 1.04 -0.23 0.00 0.00 178.00 180.15 3fer n GLN 202 N -3.50 2.20 -3.15 0.86 6.02 -1.26 -4.02 117.38 114.53 3fer n GLN 202 Ca 0.02 -1.89 -0.22 0.00 -0.01 0.00 0.00 57.00 54.90 3fer n GLN 202 Cb 0.39 -1.80 -0.04 0.00 1.02 0.00 0.00 30.24 29.81 3fer n GLN 202 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 3fer n LYS 203 N -0.29 1.57 -0.12 -1.09 5.02 -0.93 -5.00 118.16 117.33 3fer n LYS 203 Ca 0.32 -3.79 -0.05 0.00 -2.02 0.00 0.00 58.31 52.76 3fer n LYS 203 Cb 1.13 -1.79 0.01 0.00 -0.02 0.00 0.00 35.03 34.36 3fer n LYS 203 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 3fer h PRO 204 N 3.23 -0.11 -0.77 1.97 0.13 -1.74 -2.70 132.00 132.02 3fer h PRO 204 Ca 0.11 0.01 -0.04 0.00 -0.87 0.00 0.00 66.00 65.20 3fer h PRO 204 Cb 0.82 0.03 -0.03 0.00 0.13 0.00 0.00 31.00 31.95 3fer h PRO 204 CO 0.59 -0.07 0.31 -0.39 -0.23 0.00 0.00 178.00 178.21 3fer h VAL 205 N -0.12 1.26 -0.34 1.56 -1.51 -1.88 -1.01 116.25 114.21 3fer h VAL 205 Ca 0.20 -0.81 -0.08 0.00 -1.23 0.00 0.00 66.70 64.78 3fer h VAL 205 Cb 0.43 0.34 -0.02 0.00 -2.13 0.00 0.00 31.29 29.91 3fer h VAL 205 CO -0.49 0.33 -0.13 0.44 -1.23 0.00 0.00 177.57 176.49 3fer h ASP 206 N 1.11 0.58 -0.06 4.19 3.32 -1.93 0.22 116.42 123.86 3fer h ASP 206 Ca 0.26 -0.16 -0.02 0.00 0.02 0.00 0.00 57.03 57.13 3fer h ASP 206 Cb 0.21 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 39.60 3fer h ASP 206 CO -0.02 0.74 -0.04 0.78 -1.72 0.00 0.00 179.24 178.98 3fer h ASN 207 N 0.54 0.13 0.31 6.45 4.21 -1.23 -1.64 115.58 124.36 3fer h ASN 207 Ca 0.10 -0.44 -0.01 0.00 1.21 0.00 0.00 56.30 57.16 3fer h ASN 207 Cb 0.54 -0.04 -0.01 0.00 -1.12 0.00 0.00 38.32 37.70 3fer h ASN 207 CO 0.03 0.54 -0.21 0.00 -1.29 0.00 0.00 177.43 176.50 3fer h ALA 208 N 0.60 -0.50 0.01 -0.83 0.00 -0.95 -1.57 119.26 116.01 3fer h ALA 208 Ca 0.01 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 54.86 3fer h ALA 208 Cb 0.50 0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.52 3fer h ALA 208 CO 0.01 -0.80 -0.21 -0.09 0.00 0.00 0.00 179.25 178.16 3fer h ARG 209 N -0.52 -0.33 -0.05 0.00 2.43 -0.61 -2.88 114.38 112.43 3fer h ARG 209 Ca -0.03 0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.20 3fer h ARG 209 Cb 0.44 0.07 -0.06 0.00 -0.42 0.00 0.00 29.97 30.00 3fer h ARG 209 CO 0.02 -0.22 -0.43 1.49 -1.51 0.00 0.00 179.97 179.32 3fer h GLU 210 N -0.34 -0.53 0.00 0.20 4.57 -1.21 0.38 114.58 117.65 3fer h GLU 210 Ca 0.06 0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.27 3fer h GLU 210 Cb 0.42 0.12 0.00 0.00 -0.16 0.00 0.00 28.75 29.13 3fer h GLU 210 CO -0.19 -0.35 0.00 0.00 -1.18 0.00 0.00 179.01 177.29 3fer n ALA 211 N -2.90 0.97 0.00 2.92 0.00 -0.60 -2.17 120.51 118.73 3fer n ALA 211 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 3fer n ALA 211 Cb 0.37 -0.72 0.00 0.00 0.00 0.00 0.00 19.45 19.10 3fer n ALA 211 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 3fer n GLN 213 N -0.14 0.00 0.03 0.00 -0.06 0.13 -1.47 117.38 115.88 3fer n GLN 213 Ca 0.00 0.00 -0.08 0.00 -2.00 0.00 0.00 57.00 54.92 3fer n GLN 213 Cb 0.00 0.00 0.07 0.00 -4.06 0.00 0.00 30.24 26.25 3fer n GLN 213 CO 0.00 0.00 0.00 1.96 -0.20 0.00 0.00 177.06 178.82 3fer h GLN 214 N 0.00 0.47 -0.19 3.69 1.08 -1.65 0.22 115.11 118.73 3fer h GLN 214 Ca 0.00 -0.31 -0.17 0.00 -1.45 0.00 0.00 58.65 56.72 3fer h GLN 214 Cb 0.00 0.04 -0.00 0.00 -0.05 0.00 0.00 27.48 27.47 3fer h GLN 214 CO 0.00 0.91 -0.58 0.00 -0.95 0.00 0.00 178.83 178.21 3fer h ALA 215 N 1.02 0.63 -0.15 3.87 0.00 -1.52 0.08 119.26 123.19 3fer h ALA 215 Ca 0.00 -0.53 -0.02 0.00 0.00 0.00 0.00 54.91 54.36 3fer h ALA 215 Cb 1.11 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 3fer h ALA 215 CO 0.10 0.70 0.01 0.22 0.00 0.00 0.00 179.25 180.28 3fer h ASP 216 N 0.45 0.25 0.40 0.00 1.82 -1.54 0.12 116.42 117.92 3fer h ASP 216 Ca 0.00 -0.29 -0.02 0.00 -0.39 0.00 0.00 57.03 56.33 3fer h ASP 216 Cb 1.14 -0.07 0.00 0.00 0.68 0.00 0.00 39.33 41.09 3fer h ASP 216 CO 0.11 0.48 -0.19 0.44 -1.61 0.00 0.00 179.24 178.48 3fer h ASP 217 N 0.01 -0.45 -0.01 2.28 3.32 -0.86 -3.14 116.42 117.58 3fer h ASP 217 Ca 0.04 -0.12 0.00 0.00 0.02 0.00 0.00 57.03 56.97 3fer h ASP 217 Cb 0.35 0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.02 3fer h ASP 217 CO 0.01 -0.04 -0.57 0.79 -1.72 0.00 0.00 179.24 177.71 3fer n TRP 218 N -5.16 0.00 0.02 4.55 7.02 0.00 -4.30 117.44 119.57 3fer n TRP 218 Ca -0.09 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.39 3fer n TRP 218 Cb 0.28 0.00 -0.00 0.00 -2.42 0.00 0.00 31.31 29.17 3fer n TRP 218 CO 0.00 0.00 0.00 1.28 -2.02 0.00 0.00 177.69 176.95 3fer n LEU 219 N -0.38 0.57 -2.01 -0.99 4.77 -0.63 -1.30 117.00 117.03 3fer n LEU 219 Ca 0.08 -0.77 -0.19 0.00 -0.03 0.00 0.00 56.01 55.10 3fer n LEU 219 Cb 0.41 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.48 3fer n LEU 219 CO 0.30 0.14 -0.23 0.61 -1.33 0.00 0.00 177.39 176.88 3fer n GLY 220 N 0.47 0.03 3.62 -0.72 0.00 0.33 -3.65 105.19 105.26 3fer n GLY 220 Ca 0.00 -0.10 -0.39 0.00 0.00 0.00 0.00 46.02 45.53 3fer n GLY 220 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3fer s VAL 221 N -2.89 5.12 0.46 1.61 -7.23 -0.66 -4.94 120.40 111.87 3fer s VAL 221 Ca 0.00 0.77 -0.23 0.00 -1.81 0.00 0.00 61.98 60.71 3fer s VAL 221 Cb 0.00 -3.78 -0.07 0.00 0.56 0.00 0.00 36.38 33.09 3fer s VAL 221 CO 0.00 0.13 1.16 -2.16 -0.31 0.00 0.00 175.10 173.92 3fer s PRO 222 N 2.12 3.73 -1.31 4.82 0.04 -1.26 -3.41 135.00 139.73 3fer s PRO 222 Ca 0.19 1.77 -0.14 0.00 0.04 0.00 0.00 61.00 62.85 3fer s PRO 222 Cb -0.16 -2.38 0.11 0.00 0.04 0.00 0.00 34.50 32.11 3fer s PRO 222 CO 0.09 -0.57 1.81 1.04 0.04 0.00 0.00 177.00 179.41 3fer n GLN 223 N -0.54 3.25 0.30 4.56 6.02 -1.26 -4.70 117.38 125.01 3fer n GLN 223 Ca 0.08 -3.31 0.18 0.00 -0.01 0.00 0.00 57.00 53.93 3fer n GLN 223 Cb 0.48 -3.22 0.88 0.00 1.02 0.00 0.00 30.24 29.41 3fer n GLN 223 CO 0.00 0.00 0.00 -0.39 -1.01 0.00 0.00 177.06 175.66 3fer h VAL 224 N 4.58 0.15 -4.25 5.09 -1.51 -1.92 -3.39 116.25 115.00 3fer h VAL 224 Ca 0.43 -0.35 -0.60 0.00 -1.23 0.00 0.00 66.70 64.96 3fer h VAL 224 Cb 0.76 1.30 -0.27 0.00 -2.13 0.00 0.00 31.29 30.95 3fer h VAL 224 CO 1.54 0.03 -0.85 -0.51 -1.23 0.00 0.00 177.57 176.56 3fer s ILE 225 N -3.97 1.71 0.42 7.19 2.07 -1.26 -4.01 121.20 123.36 3fer s ILE 225 Ca -0.02 -1.14 -0.04 0.00 -1.41 0.00 0.00 60.65 58.04 3fer s ILE 225 Cb 0.11 -1.47 -0.04 0.00 0.13 0.00 0.00 42.46 41.20 3fer s ILE 225 CO 0.51 0.29 0.71 0.42 -1.91 0.00 0.00 174.94 174.95 3fer s THR 226 N -0.72 4.95 0.36 4.00 -4.23 -1.26 -4.89 115.64 113.86 3fer s THR 226 Ca 0.08 0.07 0.07 0.00 -1.18 0.00 0.00 61.69 60.73 3fer s THR 226 Cb -0.09 -3.84 0.30 0.00 1.34 0.00 0.00 72.50 70.21 3fer s THR 226 CO 0.01 -0.70 1.94 1.55 -0.54 0.00 0.00 174.62 176.89 3fer h PRO 227 N 0.59 0.70 -0.44 3.99 0.13 -1.93 -0.06 132.00 134.98 3fer h PRO 227 Ca -0.48 -0.04 -0.04 0.00 -0.87 0.00 0.00 66.00 64.57 3fer h PRO 227 Cb 1.20 -0.16 -0.02 0.00 0.13 0.00 0.00 31.00 32.15 3fer h PRO 227 CO 0.62 0.47 0.08 0.93 -0.23 0.00 0.00 178.00 179.87 3fer h GLU 228 N 0.73 0.66 0.19 0.86 3.07 -1.94 -3.17 114.58 114.98 3fer h GLU 228 Ca 0.33 -0.13 -0.25 0.00 -0.50 0.00 0.00 59.36 58.81 3fer h GLU 228 Cb 0.35 -0.10 0.03 0.00 -0.84 0.00 0.00 28.75 28.19 3fer h GLU 228 CO -0.12 0.62 -1.12 0.93 -1.40 0.00 0.00 179.01 177.93 3fer h GLU 229 N 0.64 0.41 -0.29 2.33 5.08 -1.57 -3.23 114.58 117.95 3fer h GLU 229 Ca 0.14 -0.70 0.07 0.00 -1.00 0.00 0.00 59.36 57.88 3fer h GLU 229 Cb 0.28 0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 3fer h GLU 229 CO 0.00 1.33 0.20 0.97 -1.00 0.00 0.00 179.01 180.52 3fer h ILE 230 N -0.14 0.88 -0.01 3.13 -0.00 -1.05 -2.39 117.51 117.93 3fer h ILE 230 Ca -0.20 -0.02 0.00 0.00 -0.00 0.00 0.00 64.86 64.65 3fer h ILE 230 Cb 1.88 0.83 0.00 0.00 -0.00 0.00 0.00 36.82 39.53 3fer h ILE 230 CO 0.21 0.01 -0.60 2.30 -0.00 0.00 0.00 178.15 180.06 3fer n ILE 231 N -4.46 0.00 -1.67 2.19 -5.35 -1.20 -4.67 119.36 104.20 3fer n ILE 231 Ca 0.04 -0.20 -0.40 0.00 -0.27 0.00 0.00 62.75 61.92 3fer n ILE 231 Cb 0.33 1.20 0.03 0.00 -1.74 0.00 0.00 39.64 39.45 3fer n ILE 231 CO 0.00 0.00 0.00 1.57 -1.76 0.00 0.00 176.55 176.36 3fer n HIS 232 N -0.38 1.62 0.28 4.28 -0.00 -0.90 -4.76 115.22 115.36 3fer n HIS 232 Ca 0.08 0.49 0.12 0.00 0.46 0.00 0.00 57.72 58.87 3fer n HIS 232 Cb 0.43 -2.28 0.80 0.00 -0.12 0.00 0.00 29.99 28.82 3fer n HIS 232 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 3fer h PRO 233 N 1.48 0.00 0.00 1.57 0.11 -1.93 -2.90 132.00 130.33 3fer h PRO 233 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3fer h PRO 233 Cb 1.32 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.43 3fer h PRO 233 CO 0.57 0.02 -0.82 -0.25 -0.21 0.00 0.00 178.00 177.30 3fer n ASP 234 N -4.08 0.78 -4.26 -2.05 8.00 -1.26 -5.00 116.55 108.67 3fer n ASP 234 Ca -0.03 -0.67 -0.54 0.00 0.71 0.00 0.00 54.79 54.26 3fer n ASP 234 Cb 0.10 0.71 -0.07 0.00 -0.02 0.00 0.00 41.12 41.85 3fer n ASP 234 CO 0.00 0.00 0.00 0.55 -0.39 0.00 0.00 177.20 177.36 3fer n VAL 235 N -1.53 0.37 -3.10 2.53 3.14 -1.10 -4.91 118.33 113.73 3fer n VAL 235 Ca 0.04 -0.09 -0.38 0.00 -2.96 0.00 0.00 64.34 60.95 3fer n VAL 235 Cb 0.34 0.00 -0.06 0.00 -1.06 0.00 0.00 33.84 33.06 3fer n VAL 235 CO 0.00 0.00 0.00 1.51 -6.46 0.00 0.00 176.83 171.88 3fer s ASP 236 N -0.18 7.21 0.38 6.55 1.47 -1.26 -4.90 116.67 125.94 3fer s ASP 236 Ca 0.82 1.47 0.14 0.00 1.18 0.00 0.00 52.55 56.16 3fer s ASP 236 Cb -1.15 -2.44 0.98 0.00 -0.34 0.00 0.00 42.92 39.98 3fer s ASP 236 CO 0.54 0.18 1.83 -0.33 0.68 0.00 0.00 175.17 178.07 3fer h GLU 237 N 4.14 0.50 -0.46 2.11 5.08 -1.91 -2.06 114.58 121.97 3fer h GLU 237 Ca -0.48 -0.03 0.02 0.00 -1.00 0.00 0.00 59.36 57.87 3fer h GLU 237 Cb 1.20 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 30.31 3fer h GLU 237 CO 0.65 0.33 0.29 0.45 -1.00 0.00 0.00 179.01 179.73 3fer h HIS 238 N 0.51 0.54 -0.55 4.33 3.86 -1.93 -2.59 115.15 119.33 3fer h HIS 238 Ca 0.51 0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.71 3fer h HIS 238 Cb 1.11 -0.18 -0.03 0.00 1.06 0.00 0.00 27.41 29.38 3fer h HIS 238 CO -0.00 0.32 0.27 0.77 0.86 0.00 0.00 177.93 180.15 3fer h SER 239 N 0.58 0.71 0.00 2.45 0.02 -1.75 0.41 113.55 115.97 3fer h SER 239 Ca 0.18 -0.13 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 3fer h SER 239 Cb -0.02 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.34 3fer h SER 239 CO -0.07 0.64 0.00 0.52 -1.14 0.00 0.00 176.83 176.78 3fer n VAL 240 N -4.57 0.24 0.00 2.27 0.31 -0.97 -2.19 118.33 113.42 3fer n VAL 240 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.36 3fer n VAL 240 Cb 0.12 -0.58 0.00 0.00 -0.91 0.00 0.00 33.84 32.47 3fer n VAL 240 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 3fer n THR 242 N 0.80 0.00 -0.05 2.52 -1.04 0.13 -0.84 114.28 115.79 3fer n THR 242 Ca 0.00 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 61.88 3fer n THR 242 Cb 0.13 0.00 -0.07 0.00 -1.82 0.00 0.00 70.33 68.57 3fer n THR 242 CO 0.00 0.00 0.00 0.22 -0.64 0.00 0.00 175.07 174.65 3fer h TYR 243 N 0.00 0.42 0.00 -1.42 3.20 -1.70 -3.19 116.97 114.28 3fer h TYR 243 Ca 0.00 -0.13 0.00 0.00 3.14 0.00 0.00 58.73 61.74 3fer h TYR 243 Cb 0.00 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 38.18 3fer h TYR 243 CO 0.00 0.76 0.00 -0.07 -1.64 0.00 0.00 178.16 177.21 3fer h LEU 244 N -0.04 0.00 0.00 2.82 4.07 -1.26 -2.78 115.31 118.12 3fer h LEU 244 Ca 0.02 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.98 3fer h LEU 244 Cb 0.70 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.44 3fer h LEU 244 CO 0.04 0.00 0.00 -1.54 -1.08 0.00 0.00 178.44 175.86 3fer n SER 245 N -2.48 0.00 0.01 -0.43 3.41 -1.21 -2.63 113.62 110.29 3fer n SER 245 Ca 0.02 -0.63 0.11 0.00 -0.26 0.00 0.00 58.87 58.12 3fer n SER 245 Cb 0.28 -0.03 0.12 0.00 -0.26 0.00 0.00 64.21 64.32 3fer n SER 245 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3fer n GLN 246 N -1.03 0.07 0.03 4.33 6.02 -1.05 -4.43 117.38 121.31 3fer n GLN 246 Ca 0.16 0.00 -0.17 0.00 -0.01 0.00 0.00 57.00 56.98 3fer n GLN 246 Cb 0.09 -1.53 -0.07 0.00 1.02 0.00 0.00 30.24 29.75 3fer n GLN 246 CO 0.00 0.00 0.00 0.74 -1.01 0.00 0.00 177.06 176.79 3fer h PHE 247 N 0.00 0.93 -0.88 1.08 -1.00 -1.72 -3.23 116.94 112.11 3fer h PHE 247 Ca 0.00 -0.47 0.18 0.00 2.81 0.00 0.00 57.97 60.49 3fer h PHE 247 Cb 0.56 -0.12 -0.07 0.00 3.61 0.00 0.00 35.95 39.93 3fer h PHE 247 CO 0.00 1.29 0.58 -1.35 -1.61 0.00 0.00 178.31 177.22 3fer h PRO 248 N 0.40 0.48 -0.46 1.51 0.11 -1.81 -1.11 132.00 131.12 3fer h PRO 248 Ca -0.09 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.99 3fer h PRO 248 Cb 1.56 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.56 3fer h PRO 248 CO 0.18 0.32 0.00 1.63 -0.21 0.00 0.00 178.00 179.91 3fer n LYS 249 N -4.53 2.44 -2.38 1.05 4.76 -1.25 -4.68 118.16 113.57 3fer n LYS 249 Ca 0.18 -2.20 -0.35 0.00 -2.87 0.00 0.00 58.31 53.08 3fer n LYS 249 Cb 0.61 -1.50 -0.01 0.00 -1.84 0.00 0.00 35.03 32.28 3fer n LYS 249 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3fer s ALA 250 N -1.40 2.79 -0.01 7.82 0.00 -0.42 -5.06 121.76 125.48 3fer s ALA 250 Ca 0.40 0.74 0.00 0.00 0.00 0.00 0.00 51.96 53.10 3fer s ALA 250 Cb 0.22 -3.32 0.01 0.00 0.00 0.00 0.00 23.12 20.04 3fer s ALA 250 CO 0.31 -0.57 0.01 0.15 0.00 0.00 0.00 175.76 175.66 3fer s LYS 251 N -3.22 0.01 0.24 0.00 1.02 -1.24 -5.07 119.74 111.48 3fer s LYS 251 Ca 0.70 0.04 -0.31 0.00 0.02 0.00 0.00 55.97 56.42 3fer s LYS 251 Cb -0.21 -0.08 -0.12 0.00 -0.52 0.00 0.00 37.83 36.90 3fer s LYS 251 CO 0.24 -0.04 1.69 -0.11 -0.92 0.00 0.00 175.35 176.21 3fer n LEU 252 N 3.37 4.17 -4.92 3.17 0.00 -1.26 -4.45 117.00 117.08 3fer n LEU 252 Ca -0.16 1.09 -0.27 0.00 0.00 0.00 0.00 56.01 56.67 3fer n LEU 252 Cb 0.57 -1.59 0.06 0.00 0.00 0.00 0.00 43.42 42.46 3fer n LEU 252 CO 0.25 0.19 0.62 -0.54 0.00 0.00 0.00 177.39 177.92 3fer s LYS 253 N 0.59 2.47 0.35 1.96 -0.14 -0.42 -5.01 119.74 119.54 3fer s LYS 253 Ca 0.71 -0.06 -0.15 0.00 -1.36 0.00 0.00 55.97 55.11 3fer s LYS 253 Cb -0.50 -2.16 -0.09 0.00 -1.68 0.00 0.00 37.83 33.40 3fer s LYS 253 CO 0.38 -1.09 0.77 -1.25 -0.76 0.00 0.00 175.35 173.40 3fer s PRO 254 N -5.22 3.99 -0.30 -1.68 0.04 -1.26 -3.97 135.00 126.60 3fer s PRO 254 Ca 0.58 0.70 0.00 0.00 0.04 0.00 0.00 61.00 62.32 3fer s PRO 254 Cb -0.11 -2.39 0.00 0.00 0.04 0.00 0.00 34.50 32.05 3fer s PRO 254 CO 0.46 0.09 0.00 0.41 0.04 0.00 0.00 177.00 178.00 3fer n GLY 255 N -0.57 0.54 3.67 0.56 0.00 -1.26 -4.99 105.19 103.13 3fer n GLY 255 Ca 0.04 -0.91 -0.43 0.00 0.00 0.00 0.00 46.02 44.72 3fer n GLY 255 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fer s ALA 256 N -2.12 3.62 -0.52 4.61 0.00 -1.25 -4.95 121.76 121.16 3fer s ALA 256 Ca 0.00 0.63 -0.27 0.00 0.00 0.00 0.00 51.96 52.32 3fer s ALA 256 Cb 0.00 -3.63 -0.01 0.00 0.00 0.00 0.00 23.12 19.48 3fer s ALA 256 CO 0.00 -1.13 1.75 -1.25 0.00 0.00 0.00 175.76 175.13 3fer s PRO 257 N 3.28 2.98 -0.12 0.00 0.04 -1.26 -4.98 135.00 134.93 3fer s PRO 257 Ca 0.60 0.82 -0.01 0.00 0.04 0.00 0.00 61.00 62.45 3fer s PRO 257 Cb -0.26 -4.27 -0.03 0.00 0.04 0.00 0.00 34.50 29.98 3fer s PRO 257 CO 0.20 -2.30 -0.07 -0.51 0.04 0.00 0.00 177.00 174.36 3fer s LEU 258 N 7.80 3.11 -0.02 -3.56 1.43 -1.26 -4.71 118.68 121.46 3fer s LEU 258 Ca 0.68 -0.14 0.06 0.00 -1.03 0.00 0.00 54.13 53.70 3fer s LEU 258 Cb -0.15 -1.71 -0.01 0.00 0.03 0.00 0.00 46.19 44.34 3fer s LEU 258 CO 0.26 0.23 -0.21 -0.75 0.23 0.00 0.00 176.35 176.10 3fer s LYS 259 N -0.01 1.81 0.00 1.70 2.20 -0.91 -5.02 119.74 119.49 3fer s LYS 259 Ca -0.00 -0.76 0.00 0.00 -0.36 0.00 0.00 55.97 54.85 3fer s LYS 259 Cb -0.14 -1.70 0.00 0.00 -1.51 0.00 0.00 37.83 34.48 3fer s LYS 259 CO 0.03 0.43 0.00 -2.30 -0.36 0.00 0.00 175.35 173.15 3fer n PRO 260 N 2.65 0.42 0.00 4.03 -0.02 -1.26 -4.53 135.00 136.29 3fer n PRO 260 Ca -0.16 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.32 3fer n PRO 260 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.01 3fer n PRO 260 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11