#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fwa h LEU 27 N 0.00 0.36 -0.43 0.64 5.85 -2.00 -1.32 115.31 118.41 3fwa h LEU 27 Ca 0.00 -0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.77 3fwa h LEU 27 Cb 0.00 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 40.89 3fwa h LEU 27 CO 0.00 0.26 0.13 -0.07 -0.34 0.00 0.00 178.44 178.42 3fwa h LEU 28 N 0.43 0.10 -0.67 2.25 3.38 -1.99 -0.42 115.31 118.40 3fwa h LEU 28 Ca 0.12 0.06 0.02 0.00 0.09 0.00 0.00 57.88 58.17 3fwa h LEU 28 Cb -0.04 0.06 -0.04 0.00 0.09 0.00 0.00 40.66 40.73 3fwa h LEU 28 CO -0.04 0.09 0.42 -1.28 0.09 0.00 0.00 178.44 177.73 3fwa h SER 29 N 0.28 0.71 -0.19 -0.43 0.87 -1.93 -0.98 113.55 111.87 3fwa h SER 29 Ca 0.20 -0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.75 3fwa h SER 29 Cb 0.22 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.01 3fwa h SER 29 CO -0.23 0.50 0.08 0.00 -0.53 0.00 0.00 176.83 176.65 3fwa h LEU 31 N 0.17 0.26 -0.49 0.00 3.38 -0.73 -2.11 115.31 115.80 3fwa h LEU 31 Ca 0.07 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3fwa h LEU 31 Cb 0.16 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 3fwa h LEU 31 CO -0.01 0.19 0.30 0.74 0.09 0.00 0.00 178.44 179.76 3fwa h THR 32 N 0.39 1.14 -0.28 0.22 2.02 -1.03 0.63 112.91 116.01 3fwa h THR 32 Ca 0.19 -0.30 0.07 0.00 0.77 0.00 0.00 66.41 67.14 3fwa h THR 32 Cb 0.12 0.47 -0.01 0.00 -1.74 0.00 0.00 68.15 66.98 3fwa h THR 32 CO -0.15 0.14 0.20 0.15 0.37 0.00 0.00 175.52 176.22 3fwa h PHE 33 N 0.65 0.08 -0.42 3.16 3.57 -0.80 -1.33 116.94 121.85 3fwa h PHE 33 Ca 0.18 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.68 3fwa h PHE 33 Cb -0.03 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 38.68 3fwa h PHE 33 CO -0.03 0.04 0.00 0.09 -2.23 0.00 0.00 178.31 176.18 3fwa n ASN 34 N -4.47 3.47 -0.05 0.41 3.02 -0.71 -4.96 115.26 111.96 3fwa n ASN 34 Ca 0.03 -1.99 -0.01 0.00 -0.03 0.00 0.00 54.58 52.59 3fwa n ASN 34 Cb 0.30 -0.27 -0.00 0.00 -0.61 0.00 0.00 39.78 39.20 3fwa n ASN 34 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3fwa n GLY 35 N 1.52 0.43 3.56 7.41 0.00 -0.50 -4.93 105.19 112.68 3fwa n GLY 35 Ca 0.20 -1.01 -0.41 0.00 0.00 0.00 0.00 46.02 44.80 3fwa n GLY 35 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fwa s VAL 36 N -2.02 5.08 -0.03 1.61 1.01 0.10 -4.94 120.40 121.20 3fwa s VAL 36 Ca 0.00 0.29 0.08 0.00 0.00 0.00 0.00 61.98 62.35 3fwa s VAL 36 Cb 0.00 -3.89 -0.12 0.00 0.00 0.00 0.00 36.38 32.36 3fwa s VAL 36 CO 0.00 -0.13 0.14 0.54 0.00 0.00 0.00 175.10 175.65 3fwa n ARG 37 N 5.59 0.94 -2.77 2.72 1.74 -1.26 -3.85 116.66 119.77 3fwa n ARG 37 Ca -0.06 -0.06 -0.43 0.00 -0.77 0.00 0.00 57.85 56.53 3fwa n ARG 37 Cb 0.49 -1.20 -0.01 0.00 -1.02 0.00 0.00 32.46 30.71 3fwa n ARG 37 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 3fwa s ASN 38 N -3.26 6.76 -0.01 0.55 3.84 -1.26 -4.92 114.94 116.63 3fwa s ASN 38 Ca -0.03 -2.24 0.01 0.00 0.21 0.00 0.00 52.86 50.81 3fwa s ASN 38 Cb 0.05 -2.48 0.00 0.00 -0.55 0.00 0.00 41.25 38.27 3fwa s ASN 38 CO 0.35 -1.11 -0.04 -2.28 -2.79 0.00 0.00 177.10 171.22 3fwa s HIS 39 N 3.28 0.45 -0.06 0.43 5.65 -1.26 -1.12 115.29 122.66 3fwa s HIS 39 Ca 0.43 -0.08 -0.01 0.00 0.25 0.00 0.00 55.06 55.65 3fwa s HIS 39 Cb -0.01 -0.32 0.03 0.00 -1.18 0.00 0.00 32.58 31.09 3fwa s HIS 39 CO -0.03 -0.03 0.00 0.99 -0.65 0.00 0.00 174.74 175.01 3fwa s THR 40 N 0.06 0.31 0.50 0.89 2.01 -0.13 -4.99 115.64 114.30 3fwa s THR 40 Ca -0.00 0.11 -0.12 0.00 0.31 0.00 0.00 61.69 61.99 3fwa s THR 40 Cb -0.04 -0.44 -0.06 0.00 0.01 0.00 0.00 72.50 71.97 3fwa s THR 40 CO -0.00 0.22 0.90 0.68 -0.69 0.00 0.00 174.62 175.73 3fwa s VAL 41 N 1.63 4.71 0.24 3.82 -7.23 -1.26 -0.45 120.40 121.86 3fwa s VAL 41 Ca -0.01 0.80 -0.30 0.00 -1.81 0.00 0.00 61.98 60.67 3fwa s VAL 41 Cb -0.13 -3.78 -0.15 0.00 0.56 0.00 0.00 36.38 32.88 3fwa s VAL 41 CO -0.03 -0.78 1.06 0.33 -0.31 0.00 0.00 175.10 175.37 3fwa n PHE 42 N -1.89 1.25 -4.09 2.82 7.35 -0.38 -4.75 117.46 117.77 3fwa n PHE 42 Ca 0.04 0.69 -0.14 0.00 -0.76 0.00 0.00 57.45 57.28 3fwa n PHE 42 Cb 0.54 -2.26 -0.14 0.00 0.35 0.00 0.00 39.48 37.98 3fwa n PHE 42 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 3fwa s SER 43 N -0.35 0.54 0.00 -2.13 0.15 -1.26 -5.02 113.70 105.63 3fwa s SER 43 Ca 0.64 -0.18 0.29 0.00 0.70 0.00 0.00 55.95 57.40 3fwa s SER 43 Cb -0.76 -0.03 1.23 0.00 -1.71 0.00 0.00 66.02 64.75 3fwa s SER 43 CO 0.57 -0.01 1.90 0.00 1.20 0.00 0.00 173.24 176.90 3fwa n ALA 44 N 2.65 2.51 -2.27 5.45 0.00 -1.26 -4.78 120.51 122.81 3fwa n ALA 44 Ca -0.15 -0.15 -0.43 0.00 0.00 0.00 0.00 53.44 52.72 3fwa n ALA 44 Cb 0.58 -1.43 -0.02 0.00 0.00 0.00 0.00 19.45 18.57 3fwa n ALA 44 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3fwa s ASP 45 N -2.87 6.38 0.58 0.00 2.15 -1.26 -4.87 116.67 116.77 3fwa s ASP 45 Ca 0.18 1.17 0.39 0.00 0.43 0.00 0.00 52.55 54.71 3fwa s ASP 45 Cb 0.19 -2.54 2.09 0.00 -0.30 0.00 0.00 42.92 42.36 3fwa s ASP 45 CO 0.53 -1.34 2.19 0.77 -0.17 0.00 0.00 175.17 177.15 3fwa h SER 46 N 10.61 0.00 -0.22 -0.34 4.64 -2.02 0.10 113.55 126.33 3fwa h SER 46 Ca -0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 3fwa h SER 46 Cb 1.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 3fwa h SER 46 CO 1.05 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 177.48 3fwa n ASP 47 N -2.87 3.20 -4.73 4.97 9.92 -1.26 -4.72 116.55 121.05 3fwa n ASP 47 Ca -0.02 -1.98 -0.33 0.00 -0.53 0.00 0.00 54.79 51.93 3fwa n ASP 47 Cb 0.07 -0.13 0.09 0.00 -0.64 0.00 0.00 41.12 40.51 3fwa n ASP 47 CO 0.00 0.00 0.00 -0.55 0.13 0.00 0.00 177.20 176.78 3fwa s SER 48 N -1.68 4.29 0.39 -2.24 0.15 0.36 -4.85 113.70 110.12 3fwa s SER 48 Ca 0.33 2.23 0.06 0.00 0.70 0.00 0.00 55.95 59.26 3fwa s SER 48 Cb 0.21 -2.57 0.78 0.00 -1.71 0.00 0.00 66.02 62.72 3fwa s SER 48 CO 0.30 -2.19 2.02 0.44 1.20 0.00 0.00 173.24 175.01 3fwa h ASP 49 N -0.42 0.53 0.05 5.45 3.32 -1.94 -1.77 116.42 121.64 3fwa h ASP 49 Ca -0.47 -0.03 0.02 0.00 0.02 0.00 0.00 57.03 56.58 3fwa h ASP 49 Cb 1.28 -0.13 -0.04 0.00 0.22 0.00 0.00 39.33 40.66 3fwa h ASP 49 CO 0.50 0.41 -0.22 0.15 -1.72 0.00 0.00 179.24 178.36 3fwa h PHE 50 N 0.61 -0.59 -0.34 4.55 3.57 -1.91 0.25 116.94 123.08 3fwa h PHE 50 Ca 0.16 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.61 3fwa h PHE 50 Cb -0.01 0.25 -0.02 0.00 2.79 0.00 0.00 35.95 38.96 3fwa h PHE 50 CO 0.00 -0.31 -0.08 -0.91 -2.23 0.00 0.00 178.31 174.78 3fwa h ASN 51 N -0.38 0.54 -0.04 0.41 2.35 -1.72 -0.58 115.58 116.16 3fwa h ASN 51 Ca 0.05 -0.13 -0.00 0.00 -0.55 0.00 0.00 56.30 55.66 3fwa h ASN 51 Cb 0.43 -0.14 -0.00 0.00 0.05 0.00 0.00 38.32 38.66 3fwa h ASN 51 CO -0.17 0.66 0.02 -0.09 -1.65 0.00 0.00 177.43 176.21 3fwa h ARG 52 N 0.53 0.06 -0.75 0.81 2.43 -0.89 -1.39 114.38 115.18 3fwa h ARG 52 Ca 0.10 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.22 3fwa h ARG 52 Cb 0.45 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.96 3fwa h ARG 52 CO 0.02 0.13 0.31 0.74 -1.51 0.00 0.00 179.97 179.67 3fwa h PHE 53 N -0.03 1.13 -0.36 2.20 0.04 -0.77 -1.52 116.94 117.64 3fwa h PHE 53 Ca 0.01 -0.08 0.02 0.00 2.80 0.00 0.00 57.97 60.73 3fwa h PHE 53 Cb 0.09 -0.34 -0.03 0.00 2.20 0.00 0.00 35.95 37.87 3fwa h PHE 53 CO -0.04 0.86 0.18 1.25 -0.60 0.00 0.00 178.31 179.96 3fwa h LEU 54 N 1.08 0.27 0.00 1.54 5.85 -0.88 -3.12 115.31 120.05 3fwa h LEU 54 Ca 0.25 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.99 3fwa h LEU 54 Cb 0.20 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.19 3fwa h LEU 54 CO -0.02 0.20 -0.30 0.45 -0.34 0.00 0.00 178.44 178.43 3fwa h HIS 55 N 0.37 0.00 -0.95 1.25 3.86 -1.03 -3.35 115.15 115.30 3fwa h HIS 55 Ca 0.15 0.00 0.19 0.00 -1.16 0.00 0.00 60.37 59.55 3fwa h HIS 55 Cb 0.05 0.00 -0.11 0.00 1.06 0.00 0.00 27.41 28.41 3fwa h HIS 55 CO -0.10 0.00 0.53 -0.07 0.86 0.00 0.00 177.93 179.16 3fwa h LEU 56 N 0.00 0.63 -3.12 2.43 3.38 -1.21 -2.71 115.31 114.71 3fwa h LEU 56 Ca 0.00 0.11 -0.04 0.00 0.09 0.00 0.00 57.88 58.04 3fwa h LEU 56 Cb 0.86 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.60 3fwa h LEU 56 CO 0.00 0.19 -0.17 -1.20 0.09 0.00 0.00 178.44 177.35 3fwa n SER 57 N -4.85 2.42 -4.58 -0.43 7.64 -1.26 -4.93 113.62 107.63 3fwa n SER 57 Ca 0.22 -3.48 -0.43 0.00 1.01 0.00 0.00 58.87 56.19 3fwa n SER 57 Cb 0.58 -0.52 -0.04 0.00 -1.01 0.00 0.00 64.21 63.22 3fwa n SER 57 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3fwa s ILE 58 N -3.06 4.49 -1.70 0.44 1.01 -1.03 -4.01 121.20 117.34 3fwa s ILE 58 Ca 0.38 0.92 0.23 0.00 0.00 0.00 0.00 60.65 62.18 3fwa s ILE 58 Cb 0.34 -4.41 -0.02 0.00 0.01 0.00 0.00 42.46 38.38 3fwa s ILE 58 CO 0.00 -0.75 1.12 0.00 0.00 0.00 0.00 174.94 175.31 3fwa n GLN 59 N 7.09 0.81 -3.92 2.79 1.13 -1.13 -4.69 117.38 119.46 3fwa n GLN 59 Ca 0.07 -0.64 -0.31 0.00 -1.94 0.00 0.00 57.00 54.18 3fwa n GLN 59 Cb 0.48 -1.49 -0.15 0.00 0.11 0.00 0.00 30.24 29.20 3fwa n GLN 59 CO 0.00 0.00 0.00 1.21 -1.44 0.00 0.00 177.06 176.83 3fwa s ASN 60 N -2.63 4.29 0.63 1.08 3.84 -1.26 -4.86 114.94 116.03 3fwa s ASN 60 Ca 0.16 -1.70 0.30 0.00 0.21 0.00 0.00 52.86 51.84 3fwa s ASN 60 Cb 0.18 -1.29 1.62 0.00 -0.55 0.00 0.00 41.25 41.20 3fwa s ASN 60 CO 0.64 -0.34 1.90 -0.65 -2.79 0.00 0.00 177.10 175.87 3fwa h PRO 61 N 7.84 0.00 -0.52 0.43 0.11 -1.84 -0.60 132.00 137.43 3fwa h PRO 61 Ca -0.11 0.00 0.15 0.00 0.11 0.00 0.00 66.00 66.15 3fwa h PRO 61 Cb 1.03 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.12 3fwa h PRO 61 CO 0.47 0.00 0.47 1.25 -0.21 0.00 0.00 178.00 179.99 3fwa h LEU 62 N 0.00 0.00 -3.32 2.35 5.85 -1.89 -2.20 115.31 116.10 3fwa h LEU 62 Ca 0.00 0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.58 3fwa h LEU 62 Cb 0.58 0.00 -0.08 0.00 0.37 0.00 0.00 40.66 41.53 3fwa h LEU 62 CO 0.00 0.00 -0.06 0.49 -0.34 0.00 0.00 178.44 178.53 3fwa n PHE 63 N -3.91 1.02 0.13 1.25 3.72 -0.23 -4.62 117.46 114.82 3fwa n PHE 63 Ca 0.10 -1.43 0.09 0.00 -0.05 0.00 0.00 57.45 56.16 3fwa n PHE 63 Cb 0.68 -0.44 -0.14 0.00 -0.94 0.00 0.00 39.48 38.64 3fwa n PHE 63 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 3fwa n GLN 64 N -1.01 0.63 -0.71 -1.08 6.02 -0.83 -4.93 117.38 115.47 3fwa n GLN 64 Ca 0.30 -0.15 -0.28 0.00 -0.01 0.00 0.00 57.00 56.86 3fwa n GLN 64 Cb 0.99 -1.44 0.24 0.00 1.02 0.00 0.00 30.24 31.05 3fwa n GLN 64 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3fwa s ASN 65 N -3.95 1.22 0.51 1.08 2.20 -1.26 -4.91 114.94 109.83 3fwa s ASN 65 Ca -0.05 1.36 0.32 0.00 -0.94 0.00 0.00 52.86 53.55 3fwa s ASN 65 Cb 0.12 -2.11 1.23 0.00 -2.00 0.00 0.00 41.25 38.49 3fwa s ASN 65 CO 0.79 -4.03 1.92 0.77 -2.94 0.00 0.00 177.10 173.61 3fwa h SER 66 N -2.50 0.00 1.20 3.54 4.64 -2.00 -2.80 113.55 115.62 3fwa h SER 66 Ca -0.60 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.72 3fwa h SER 66 Cb 1.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.43 3fwa h SER 66 CO 0.52 0.00 -0.09 0.18 -0.87 0.00 0.00 176.83 176.57 3fwa n LEU 67 N -2.99 0.50 -4.79 5.97 4.77 -1.26 -4.86 117.00 114.34 3fwa n LEU 67 Ca 0.01 0.48 -0.34 0.00 -0.03 0.00 0.00 56.01 56.13 3fwa n LEU 67 Cb 0.32 -0.37 -0.03 0.00 -2.33 0.00 0.00 43.42 41.02 3fwa n LEU 67 CO 0.27 -0.09 0.73 -0.63 -1.33 0.00 0.00 177.39 176.34 3fwa s ILE 68 N -3.07 3.66 0.51 -0.08 -1.09 -1.06 -5.00 121.20 115.07 3fwa s ILE 68 Ca 0.11 1.04 -0.23 0.00 -2.23 0.00 0.00 60.65 59.35 3fwa s ILE 68 Cb 0.15 -3.43 -0.06 0.00 -1.58 0.00 0.00 42.46 37.54 3fwa s ILE 68 CO 0.59 -0.21 1.39 -0.94 -1.23 0.00 0.00 174.94 174.54 3fwa s SER 69 N -1.92 5.49 0.03 3.58 1.04 -1.26 -5.02 113.70 115.65 3fwa s SER 69 Ca 0.68 2.84 0.05 0.00 0.48 0.00 0.00 55.95 60.00 3fwa s SER 69 Cb -0.18 -2.64 -0.02 0.00 0.10 0.00 0.00 66.02 63.27 3fwa s SER 69 CO 0.22 -1.43 -0.15 -0.54 0.98 0.00 0.00 173.24 172.32 3fwa s LYS 70 N -2.73 1.03 0.58 4.02 -0.14 -1.26 -4.77 119.74 116.47 3fwa s LYS 70 Ca 0.67 -0.76 -0.19 0.00 -1.36 0.00 0.00 55.97 54.33 3fwa s LYS 70 Cb -0.42 -1.06 -0.04 0.00 -1.68 0.00 0.00 37.83 34.63 3fwa s LYS 70 CO 0.51 0.27 1.16 -1.25 -0.76 0.00 0.00 175.35 175.28 3fwa s PRO 71 N -1.06 3.11 0.39 -1.68 0.04 -1.26 -4.75 135.00 129.79 3fwa s PRO 71 Ca 0.03 1.70 0.21 0.00 0.04 0.00 0.00 61.00 62.98 3fwa s PRO 71 Cb -0.08 -1.96 0.57 0.00 0.04 0.00 0.00 34.50 33.07 3fwa s PRO 71 CO 0.01 -1.06 1.68 0.77 0.04 0.00 0.00 177.00 178.44 3fwa h SER 72 N 0.94 0.00 -5.00 6.66 0.02 -1.42 -3.41 113.55 111.34 3fwa h SER 72 Ca -0.50 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.42 3fwa h SER 72 Cb 1.28 0.00 -0.13 0.00 0.14 0.00 0.00 62.40 63.69 3fwa h SER 72 CO 0.56 0.27 0.19 0.00 -1.14 0.00 0.00 176.83 176.71 3fwa s ALA 73 N -3.36 -1.59 -0.12 3.77 0.00 -1.26 -1.24 121.76 117.96 3fwa s ALA 73 Ca 0.03 0.59 0.03 0.00 0.00 0.00 0.00 51.96 52.61 3fwa s ALA 73 Cb 0.08 0.74 0.01 0.00 0.00 0.00 0.00 23.12 23.95 3fwa s ALA 73 CO 0.67 -0.70 -0.23 0.42 0.00 0.00 0.00 175.76 175.93 3fwa s ILE 74 N -3.35 2.02 -0.09 0.00 1.01 0.40 -1.62 121.20 119.57 3fwa s ILE 74 Ca -0.01 -0.98 0.03 0.00 0.00 0.00 0.00 60.65 59.70 3fwa s ILE 74 Cb -0.01 -1.76 -0.01 0.00 0.01 0.00 0.00 42.46 40.69 3fwa s ILE 74 CO -0.09 0.55 -0.20 -0.63 0.00 0.00 0.00 174.94 174.57 3fwa s ILE 75 N 0.57 2.50 -0.72 2.92 1.01 0.29 -0.95 121.20 126.81 3fwa s ILE 75 Ca -0.13 -0.88 0.02 0.00 0.00 0.00 0.00 60.65 59.65 3fwa s ILE 75 Cb -0.17 -1.98 0.18 0.00 0.01 0.00 0.00 42.46 40.50 3fwa s ILE 75 CO 0.04 0.56 0.54 -0.76 0.00 0.00 0.00 174.94 175.31 3fwa s LEU 76 N 0.07 5.04 0.47 2.97 1.43 -0.27 -0.89 118.68 127.48 3fwa s LEU 76 Ca -0.08 -3.52 -0.23 0.00 -1.03 0.00 0.00 54.13 49.27 3fwa s LEU 76 Cb -0.15 -1.76 -0.07 0.00 0.03 0.00 0.00 46.19 44.24 3fwa s LEU 76 CO 0.05 -0.18 1.21 -2.16 0.23 0.00 0.00 176.35 175.50 3fwa s PRO 77 N -1.02 3.67 0.00 1.29 0.04 -1.26 -4.64 135.00 133.09 3fwa s PRO 77 Ca 0.23 1.88 0.04 0.00 0.04 0.00 0.00 61.00 63.20 3fwa s PRO 77 Cb -0.11 -2.41 0.07 0.00 0.04 0.00 0.00 34.50 32.08 3fwa s PRO 77 CO -0.11 -0.66 0.81 0.41 0.04 0.00 0.00 177.00 177.49 3fwa n GLY 78 N 0.52 0.40 3.66 0.56 0.00 -1.26 -4.20 105.19 104.86 3fwa n GLY 78 Ca 0.07 -0.13 -0.09 0.00 0.00 0.00 0.00 46.02 45.88 3fwa n GLY 78 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3fwa s SER 79 N -0.59 -0.15 0.28 1.61 1.04 -1.26 -4.86 113.70 109.76 3fwa s SER 79 Ca 0.06 -0.79 -0.01 0.00 0.48 0.00 0.00 55.95 55.69 3fwa s SER 79 Cb 0.04 0.62 0.40 0.00 0.10 0.00 0.00 66.02 67.18 3fwa s SER 79 CO 0.06 -1.19 1.83 0.07 0.98 0.00 0.00 173.24 174.99 3fwa h LYS 80 N 2.18 0.84 -0.65 4.02 2.10 -1.97 -1.24 116.57 121.84 3fwa h LYS 80 Ca -0.24 -0.17 -0.06 0.00 -2.00 0.00 0.00 60.65 58.18 3fwa h LYS 80 Cb 1.25 -0.13 -0.03 0.00 -0.90 0.00 0.00 32.23 32.42 3fwa h LYS 80 CO 0.32 0.75 0.16 0.93 -2.00 0.00 0.00 179.45 179.60 3fwa h GLU 81 N 0.81 1.05 -0.64 0.07 3.07 -1.99 -0.03 114.58 116.92 3fwa h GLU 81 Ca 0.18 -0.25 -0.05 0.00 -0.50 0.00 0.00 59.36 58.73 3fwa h GLU 81 Cb 0.28 -0.14 -0.03 0.00 -0.84 0.00 0.00 28.75 28.02 3fwa h GLU 81 CO -0.00 0.94 0.19 0.93 -1.40 0.00 0.00 179.01 179.66 3fwa h GLU 82 N 0.97 0.99 -0.27 2.33 5.08 -1.82 0.61 114.58 122.46 3fwa h GLU 82 Ca 0.20 -0.20 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 3fwa h GLU 82 Cb 0.37 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 3fwa h GLU 82 CO 0.00 0.86 0.02 1.25 -1.00 0.00 0.00 179.01 180.14 3fwa h LEU 83 N 0.95 0.45 -0.21 1.33 5.85 -0.87 -0.36 115.31 122.45 3fwa h LEU 83 Ca 0.21 -0.28 0.02 0.00 0.84 0.00 0.00 57.88 58.67 3fwa h LEU 83 Cb 0.29 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 3fwa h LEU 83 CO -0.01 0.62 0.06 -1.28 -0.34 0.00 0.00 178.44 177.50 3fwa h SER 84 N 0.27 0.06 0.39 1.25 0.87 -0.72 -2.19 113.55 113.48 3fwa h SER 84 Ca 0.08 0.02 -0.11 0.00 -1.23 0.00 0.00 61.79 60.56 3fwa h SER 84 Cb 0.38 0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.34 3fwa h SER 84 CO 0.01 0.06 -0.47 0.78 -0.53 0.00 0.00 176.83 176.68 3fwa h ASN 85 N 0.16 0.11 -0.13 6.23 2.35 -0.82 -1.61 115.58 121.86 3fwa h ASN 85 Ca 0.09 -0.05 -0.00 0.00 -0.55 0.00 0.00 56.30 55.79 3fwa h ASN 85 Cb 0.07 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 38.40 3fwa h ASN 85 CO -0.10 0.57 0.06 0.74 -1.65 0.00 0.00 177.43 177.05 3fwa h THR 86 N 0.08 1.11 -0.13 2.81 2.02 -0.82 -0.05 112.91 117.94 3fwa h THR 86 Ca 0.00 -0.33 0.02 0.00 0.77 0.00 0.00 66.41 66.87 3fwa h THR 86 Cb 0.87 1.10 -0.02 0.00 -1.74 0.00 0.00 68.15 68.36 3fwa h THR 86 CO 0.07 0.10 0.02 0.40 0.37 0.00 0.00 175.52 176.48 3fwa h ILE 87 N 0.09 0.93 -0.77 3.11 2.04 -1.20 -1.16 117.51 120.55 3fwa h ILE 87 Ca 0.04 -0.02 0.06 0.00 1.00 0.00 0.00 64.86 65.95 3fwa h ILE 87 Cb 0.11 0.86 -0.06 0.00 -0.74 0.00 0.00 36.82 36.99 3fwa h ILE 87 CO -0.01 0.01 0.46 0.03 0.00 0.00 0.00 178.15 178.64 3fwa h ARG 88 N 0.07 0.81 -0.34 2.37 3.08 -1.12 -2.11 114.38 117.12 3fwa h ARG 88 Ca 0.06 -0.05 -0.13 0.00 0.07 0.00 0.00 59.98 59.93 3fwa h ARG 88 Cb 0.06 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 29.92 3fwa h ARG 88 CO -0.08 0.53 -0.27 0.00 -1.07 0.00 0.00 179.97 179.08 3fwa h ILE 90 N 0.58 1.12 0.00 0.00 2.04 -0.87 -2.42 117.51 117.96 3fwa h ILE 90 Ca 0.06 -0.36 -0.08 0.00 1.00 0.00 0.00 64.86 65.48 3fwa h ILE 90 Cb 0.85 0.73 -0.01 0.00 -0.74 0.00 0.00 36.82 37.64 3fwa h ILE 90 CO 0.07 0.14 -0.39 0.03 0.00 0.00 0.00 178.15 178.01 3fwa h ARG 91 N 0.45 0.00 0.00 2.37 3.08 -1.25 -2.12 114.38 116.91 3fwa h ARG 91 Ca 0.11 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.16 3fwa h ARG 91 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.12 3fwa h ARG 91 CO -0.01 0.39 0.00 0.87 -1.07 0.00 0.00 179.97 180.14 3fwa h LYS 92 N 0.00 0.00 0.00 0.04 1.57 -1.40 -3.42 116.57 113.36 3fwa h LYS 92 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3fwa h LYS 92 Cb 0.69 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.00 3fwa h LYS 92 CO 0.05 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.34 3fwa n GLY 93 N -0.54 1.70 1.02 3.86 0.00 -0.79 -5.04 105.19 105.40 3fwa n GLY 93 Ca -0.01 -2.05 -0.01 0.00 0.00 0.00 0.00 46.02 43.95 3fwa n GLY 93 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3fwa n SER 94 N -1.32 2.48 -4.80 1.61 3.41 -1.26 -5.03 113.62 108.70 3fwa n SER 94 Ca 0.00 -3.71 -0.35 0.00 -0.26 0.00 0.00 58.87 54.56 3fwa n SER 94 Cb 0.00 -0.61 -0.06 0.00 -0.26 0.00 0.00 64.21 63.28 3fwa n SER 94 CO 0.00 0.00 0.00 0.26 -0.16 0.00 0.00 175.04 175.14 3fwa s TRP 95 N -3.20 3.38 -0.06 7.33 0.52 -1.26 -4.95 118.94 120.71 3fwa s TRP 95 Ca 0.43 1.66 -0.24 0.00 0.02 0.00 0.00 56.10 57.97 3fwa s TRP 95 Cb 0.39 -2.92 -0.03 0.00 -1.15 0.00 0.00 33.47 29.76 3fwa s TRP 95 CO -0.00 -0.14 0.75 0.99 0.02 0.00 0.00 176.95 178.56 3fwa s THR 96 N -1.95 5.02 0.04 2.01 2.01 -0.69 -4.90 115.64 117.18 3fwa s THR 96 Ca 0.59 1.54 -0.27 0.00 0.31 0.00 0.00 61.69 63.86 3fwa s THR 96 Cb -0.14 -4.08 -0.05 0.00 0.01 0.00 0.00 72.50 68.24 3fwa s THR 96 CO 0.18 0.23 0.86 -0.63 -0.69 0.00 0.00 174.62 174.57 3fwa s ILE 97 N 0.88 4.74 -0.11 1.82 1.01 -1.26 -1.30 121.20 126.98 3fwa s ILE 97 Ca 0.40 1.82 0.02 0.00 0.00 0.00 0.00 60.65 62.88 3fwa s ILE 97 Cb -0.18 -4.21 0.01 0.00 0.01 0.00 0.00 42.46 38.10 3fwa s ILE 97 CO 0.19 0.29 -0.16 -0.13 0.00 0.00 0.00 174.94 175.13 3fwa s ARG 98 N 0.30 2.31 -0.14 2.79 1.81 -0.62 -4.79 118.95 120.61 3fwa s ARG 98 Ca 0.44 -0.60 -0.07 0.00 -1.72 0.00 0.00 55.73 53.78 3fwa s ARG 98 Cb -0.21 -1.94 -0.04 0.00 -0.45 0.00 0.00 34.95 32.31 3fwa s ARG 98 CO 0.25 -0.04 0.10 -0.51 -0.68 0.00 0.00 175.30 174.42 3fwa s LEU 99 N 0.92 4.09 -0.04 2.53 1.43 -1.26 -0.13 118.68 126.21 3fwa s LEU 99 Ca -0.08 0.29 0.02 0.00 -1.03 0.00 0.00 54.13 53.33 3fwa s LEU 99 Cb -0.15 -2.00 0.01 0.00 0.03 0.00 0.00 46.19 44.08 3fwa s LEU 99 CO -0.01 0.31 -0.08 -0.60 0.23 0.00 0.00 176.35 176.21 3fwa s ARG 100 N -0.47 1.10 0.00 1.70 3.52 -0.45 -4.57 118.95 119.78 3fwa s ARG 100 Ca 0.11 -0.24 0.00 0.00 -0.13 0.00 0.00 55.73 55.47 3fwa s ARG 100 Cb -0.12 -1.00 0.00 0.00 -1.56 0.00 0.00 34.95 32.27 3fwa s ARG 100 CO 0.02 0.00 0.00 0.45 -0.81 0.00 0.00 175.30 174.96 3fwa n SER 101 N 3.77 0.00 -0.02 -2.12 2.88 -1.26 -0.75 113.62 116.13 3fwa n SER 101 Ca -0.23 0.00 0.10 0.00 -1.33 0.00 0.00 58.87 57.42 3fwa n SER 101 Cb 0.52 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.94 3fwa n SER 101 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3fwa n GLY 102 N 3.24 -1.01 2.27 0.46 0.00 -1.26 -4.66 105.19 104.22 3fwa n GLY 102 Ca 0.00 -0.55 -0.09 0.00 0.00 0.00 0.00 46.02 45.38 3fwa n GLY 102 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fwa n GLY 103 N 1.50 1.06 0.12 -0.02 0.00 -1.26 -4.68 105.19 101.91 3fwa n GLY 103 Ca 0.05 -0.60 0.15 0.00 0.00 0.00 0.00 46.02 45.62 3fwa n GLY 103 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3fwa n HIS 104 N -2.73 0.00 -1.70 1.61 8.25 -1.26 -2.82 115.22 116.57 3fwa n HIS 104 Ca -0.09 0.00 -0.63 0.00 -0.26 0.00 0.00 57.72 56.74 3fwa n HIS 104 Cb 0.30 -0.04 -0.09 0.00 1.12 0.00 0.00 29.99 31.28 3fwa n HIS 104 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3fwa n SER 105 N -0.76 1.40 0.30 0.41 2.88 -1.26 -4.77 113.62 111.81 3fwa n SER 105 Ca 0.21 1.15 0.16 0.00 -1.33 0.00 0.00 58.87 59.07 3fwa n SER 105 Cb 0.19 -0.97 0.95 0.00 -0.75 0.00 0.00 64.21 63.63 3fwa n SER 105 CO 0.00 0.00 0.00 1.88 -1.23 0.00 0.00 175.04 175.69 3fwa h TYR 106 N 5.32 0.00 -0.29 0.66 0.05 -1.86 -1.76 116.97 119.08 3fwa h TYR 106 Ca -0.46 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.32 3fwa h TYR 106 Cb 1.36 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.10 3fwa h TYR 106 CO 0.67 0.02 0.00 0.39 -1.05 0.00 0.00 178.16 178.19 3fwa n GLU 107 N -3.63 2.86 -1.81 4.88 -0.58 -1.26 -4.97 120.64 116.13 3fwa n GLU 107 Ca -0.03 -2.20 -0.13 0.00 -0.42 0.00 0.00 57.16 54.38 3fwa n GLU 107 Cb 0.11 -1.39 -0.03 0.00 -0.57 0.00 0.00 31.44 29.56 3fwa n GLU 107 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3fwa n GLY 108 N 0.12 0.60 0.00 0.62 0.00 -0.66 -4.89 105.19 100.99 3fwa n GLY 108 Ca 0.13 -0.39 0.12 0.00 0.00 0.00 0.00 46.02 45.88 3fwa n GLY 108 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3fwa n LEU 109 N -1.65 0.00 0.00 0.99 4.77 -1.26 -2.30 117.00 117.55 3fwa n LEU 109 Ca -0.14 0.37 0.13 0.00 -0.03 0.00 0.00 56.01 56.34 3fwa n LEU 109 Cb 0.52 -0.37 0.36 0.00 -2.33 0.00 0.00 43.42 41.60 3fwa n LEU 109 CO 0.19 -0.06 0.61 -1.54 -1.33 0.00 0.00 177.39 175.25 3fwa n SER 110 N -1.37 0.36 -0.41 -1.43 3.41 -1.26 -4.40 113.62 108.52 3fwa n SER 110 Ca 0.09 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.71 3fwa n SER 110 Cb 0.23 0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.19 3fwa n SER 110 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3fwa n TYR 111 N -1.54 0.00 -4.14 7.33 0.18 -1.02 -4.23 117.16 113.74 3fwa n TYR 111 Ca 0.06 0.00 -0.13 0.00 1.88 0.00 0.00 57.90 59.71 3fwa n TYR 111 Cb 0.34 0.03 -0.11 0.00 -0.38 0.00 0.00 39.34 39.22 3fwa n TYR 111 CO 0.00 0.00 0.00 0.95 -2.08 0.00 0.00 176.86 175.73 3fwa s THR 112 N 0.00 0.75 -0.28 -3.48 -4.23 -0.97 -4.70 115.64 102.72 3fwa s THR 112 Ca 0.00 -1.57 -0.25 0.00 -1.18 0.00 0.00 61.69 58.69 3fwa s THR 112 Cb 0.00 -1.25 0.12 0.00 1.34 0.00 0.00 72.50 72.72 3fwa s THR 112 CO 0.00 -0.61 1.03 -0.55 -0.54 0.00 0.00 174.62 173.95 3fwa s SER 113 N -2.38 -0.45 0.41 3.99 0.15 -1.26 -4.81 113.70 109.34 3fwa s SER 113 Ca 0.03 0.87 0.21 0.00 0.70 0.00 0.00 55.95 57.76 3fwa s SER 113 Cb -0.02 0.89 0.80 0.00 -1.71 0.00 0.00 66.02 65.98 3fwa s SER 113 CO -0.01 -0.15 1.78 0.44 1.20 0.00 0.00 173.24 176.50 3fwa h ASP 114 N 4.25 0.00 -2.90 5.45 3.32 -2.01 -3.44 116.42 121.09 3fwa h ASP 114 Ca -0.28 0.00 -0.61 0.00 0.02 0.00 0.00 57.03 56.16 3fwa h ASP 114 Cb 1.18 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.68 3fwa h ASP 114 CO 0.11 0.29 -0.52 0.42 -1.72 0.00 0.00 179.24 177.82 3fwa s THR 115 N -3.63 5.16 0.17 0.35 -4.23 -1.26 -5.05 115.64 107.15 3fwa s THR 115 Ca 0.00 -0.55 -0.33 0.00 -1.18 0.00 0.00 61.69 59.63 3fwa s THR 115 Cb 0.11 -3.54 -0.15 0.00 1.34 0.00 0.00 72.50 70.25 3fwa s THR 115 CO 0.66 0.09 1.27 -2.65 -0.54 0.00 0.00 174.62 173.44 3fwa n PRO 116 N 0.16 1.37 -4.08 3.99 -0.02 -1.26 -4.80 135.00 130.36 3fwa n PRO 116 Ca -0.06 0.49 -0.07 0.00 -2.02 0.00 0.00 63.50 61.84 3fwa n PRO 116 Cb 0.52 -2.06 -0.10 0.00 -0.02 0.00 0.00 33.50 31.84 3fwa n PRO 116 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 3fwa s PHE 117 N 0.04 0.49 -0.14 6.00 -0.12 -1.26 -1.70 117.98 121.28 3fwa s PHE 117 Ca 0.75 -1.02 -0.00 0.00 -0.05 0.00 0.00 56.93 56.60 3fwa s PHE 117 Cb -0.83 -0.37 -0.01 0.00 -0.63 0.00 0.00 43.02 41.18 3fwa s PHE 117 CO 0.50 -0.37 -0.13 0.42 -0.05 0.00 0.00 175.22 175.59 3fwa s ILE 118 N -3.75 2.99 -0.33 -4.49 -1.09 -0.42 -0.89 121.20 113.22 3fwa s ILE 118 Ca 0.05 -0.67 -0.19 0.00 -2.23 0.00 0.00 60.65 57.61 3fwa s ILE 118 Cb 0.07 -2.27 -0.01 0.00 -1.58 0.00 0.00 42.46 38.67 3fwa s ILE 118 CO -0.09 0.51 0.56 -0.22 -1.23 0.00 0.00 174.94 174.47 3fwa s LEU 119 N 0.56 4.24 -0.53 2.97 2.96 -0.64 -1.58 118.68 126.65 3fwa s LEU 119 Ca -0.08 0.18 -0.17 0.00 -0.22 0.00 0.00 54.13 53.83 3fwa s LEU 119 Cb -0.16 -2.68 0.09 0.00 0.50 0.00 0.00 46.19 43.95 3fwa s LEU 119 CO 0.03 -0.47 0.57 -0.63 -1.32 0.00 0.00 176.35 174.53 3fwa s ILE 120 N 2.49 5.02 -0.15 6.68 1.01 0.82 -0.55 121.20 136.51 3fwa s ILE 120 Ca 0.21 -1.04 -0.15 0.00 0.00 0.00 0.00 60.65 59.68 3fwa s ILE 120 Cb -0.15 -4.33 -0.04 0.00 0.01 0.00 0.00 42.46 37.94 3fwa s ILE 120 CO 0.13 -0.88 0.35 -0.62 0.00 0.00 0.00 174.94 173.93 3fwa s ASP 121 N 3.20 6.51 -0.14 3.58 -1.08 -0.07 -1.34 116.67 127.33 3fwa s ASP 121 Ca 0.08 0.60 0.16 0.00 -0.52 0.00 0.00 52.55 52.88 3fwa s ASP 121 Cb -0.25 -2.22 0.72 0.00 -1.46 0.00 0.00 42.92 39.72 3fwa s ASP 121 CO 0.07 0.06 1.62 0.18 0.52 0.00 0.00 175.17 177.62 3fwa n LEU 122 N 3.65 4.86 0.26 -1.34 4.77 0.07 -3.98 117.00 125.29 3fwa n LEU 122 Ca -0.10 -2.45 0.13 0.00 -0.03 0.00 0.00 56.01 53.55 3fwa n LEU 122 Cb 0.52 -0.60 0.80 0.00 -2.33 0.00 0.00 43.42 41.80 3fwa n LEU 122 CO 0.41 0.72 1.11 0.00 -1.33 0.00 0.00 177.39 178.30 3fwa h MET 123 N 3.88 0.00 0.00 3.23 -0.00 -1.83 0.31 114.93 120.52 3fwa h MET 123 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 3fwa h MET 123 Cb 1.56 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 33.16 3fwa h MET 123 CO 0.30 0.00 -0.05 0.09 -0.00 0.00 0.00 176.91 177.25 3fwa n ASN 124 N -4.11 0.23 -3.86 -0.10 3.02 -1.26 -4.01 115.26 105.16 3fwa n ASN 124 Ca -0.02 0.46 -0.42 0.00 -0.03 0.00 0.00 54.58 54.56 3fwa n ASN 124 Cb 0.14 -0.50 0.01 0.00 -0.61 0.00 0.00 39.78 38.82 3fwa n ASN 124 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3fwa n LEU 125 N -1.68 6.79 -1.29 3.41 4.77 0.10 -4.69 117.00 124.40 3fwa n LEU 125 Ca 0.06 -5.08 -0.03 0.00 -0.03 0.00 0.00 56.01 50.94 3fwa n LEU 125 Cb 0.36 -1.31 0.12 0.00 -2.33 0.00 0.00 43.42 40.26 3fwa n LEU 125 CO 0.29 1.71 0.24 -0.46 -1.33 0.00 0.00 177.39 177.83 3fwa n ASN 126 N 1.75 2.48 -4.72 -1.43 6.94 -1.26 -0.53 115.26 118.50 3fwa n ASN 126 Ca 0.36 -3.45 -0.41 0.00 -0.02 0.00 0.00 54.58 51.06 3fwa n ASN 126 Cb 0.32 -0.44 -0.04 0.00 -2.36 0.00 0.00 39.78 37.26 3fwa n ASN 126 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 3fwa s ARG 127 N -2.92 4.60 -0.14 -3.83 0.52 -1.26 -4.72 118.95 111.19 3fwa s ARG 127 Ca 0.40 1.37 0.01 0.00 -0.52 0.00 0.00 55.73 56.99 3fwa s ARG 127 Cb 0.38 -3.42 -0.00 0.00 0.52 0.00 0.00 34.95 32.42 3fwa s ARG 127 CO -0.05 0.08 -0.16 0.08 0.02 0.00 0.00 175.30 175.26 3fwa s VAL 128 N 0.56 2.65 -0.28 3.52 1.01 -1.26 -1.04 120.40 125.55 3fwa s VAL 128 Ca 0.48 -0.79 0.01 0.00 0.00 0.00 0.00 61.98 61.69 3fwa s VAL 128 Cb -0.22 -2.10 0.06 0.00 0.00 0.00 0.00 36.38 34.12 3fwa s VAL 128 CO 0.28 0.52 -0.06 -0.55 0.00 0.00 0.00 175.10 175.29 3fwa s SER 129 N 0.66 4.63 -0.12 3.32 0.15 0.31 -5.01 113.70 117.65 3fwa s SER 129 Ca -0.08 -1.43 -0.18 0.00 0.70 0.00 0.00 55.95 54.96 3fwa s SER 129 Cb -0.16 -1.61 -0.04 0.00 -1.71 0.00 0.00 66.02 62.50 3fwa s SER 129 CO 0.02 -0.23 0.47 -0.63 1.20 0.00 0.00 173.24 174.07 3fwa s ILE 130 N 1.14 5.19 -0.42 6.45 1.01 -1.26 -1.31 121.20 132.00 3fwa s ILE 130 Ca -0.06 0.93 -0.06 0.00 0.00 0.00 0.00 60.65 61.47 3fwa s ILE 130 Cb -0.20 -3.81 0.10 0.00 0.01 0.00 0.00 42.46 38.56 3fwa s ILE 130 CO -0.04 0.33 0.24 -0.62 0.00 0.00 0.00 174.94 174.85 3fwa s ASP 131 N 0.59 5.43 0.45 3.58 -1.08 -0.03 -4.95 116.67 120.67 3fwa s ASP 131 Ca 0.26 -1.82 0.29 0.00 -0.52 0.00 0.00 52.55 50.76 3fwa s ASP 131 Cb -0.15 -1.90 0.99 0.00 -1.46 0.00 0.00 42.92 40.40 3fwa s ASP 131 CO 0.10 -0.56 1.83 -0.07 0.52 0.00 0.00 175.17 176.99 3fwa h LEU 132 N 8.23 0.00 -0.23 -1.34 3.38 -1.97 0.21 115.31 123.59 3fwa h LEU 132 Ca -0.18 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.58 3fwa h LEU 132 Cb 1.06 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.80 3fwa h LEU 132 CO 0.74 0.00 -0.92 -0.33 0.09 0.00 0.00 178.44 178.02 3fwa h GLU 133 N 0.00 0.23 0.00 1.13 4.39 -1.94 -3.27 114.58 115.12 3fwa h GLU 133 Ca 0.00 -0.26 0.00 0.00 0.34 0.00 0.00 59.36 59.44 3fwa h GLU 133 Cb 0.65 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.37 3fwa h GLU 133 CO 0.00 1.00 -0.99 -1.13 -1.16 0.00 0.00 179.01 176.73 3fwa n SER 134 N -3.66 0.86 -3.66 1.42 3.41 -1.17 -5.00 113.62 105.83 3fwa n SER 134 Ca -0.04 -0.86 -0.23 0.00 -0.26 0.00 0.00 58.87 57.48 3fwa n SER 134 Cb 0.83 1.08 0.04 0.00 -0.26 0.00 0.00 64.21 65.90 3fwa n SER 134 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3fwa n GLU 135 N -1.51 -3.92 -4.29 4.33 1.02 0.69 -4.92 120.64 112.04 3fwa n GLU 135 Ca 0.03 0.61 -0.15 0.00 -0.02 0.00 0.00 57.16 57.63 3fwa n GLU 135 Cb 0.32 -5.04 -0.10 0.00 -0.02 0.00 0.00 31.44 26.60 3fwa n GLU 135 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 3fwa s THR 136 N -3.62 0.42 -0.06 2.62 -4.23 -1.00 -1.19 115.64 108.58 3fwa s THR 136 Ca 0.13 -2.00 -0.07 0.00 -1.18 0.00 0.00 61.69 58.57 3fwa s THR 136 Cb -0.04 -2.60 0.02 0.00 1.34 0.00 0.00 72.50 71.22 3fwa s THR 136 CO 0.82 -0.01 0.19 0.00 -0.54 0.00 0.00 174.62 175.08 3fwa s ALA 137 N -3.86 -0.46 -0.17 3.99 0.00 -0.49 -0.85 121.76 119.93 3fwa s ALA 137 Ca 0.38 0.41 -0.13 0.00 0.00 0.00 0.00 51.96 52.62 3fwa s ALA 137 Cb 0.08 -0.22 -0.05 0.00 0.00 0.00 0.00 23.12 22.93 3fwa s ALA 137 CO 0.13 -0.12 0.25 -1.58 0.00 0.00 0.00 175.76 174.44 3fwa s TRP 138 N -0.24 3.46 -0.23 0.00 0.52 -0.42 -0.89 118.94 121.13 3fwa s TRP 138 Ca -0.03 0.53 -0.01 0.00 0.02 0.00 0.00 56.10 56.61 3fwa s TRP 138 Cb -0.03 -2.28 0.07 0.00 -1.15 0.00 0.00 33.47 30.08 3fwa s TRP 138 CO 0.01 0.28 0.00 0.08 0.02 0.00 0.00 176.95 177.34 3fwa s VAL 139 N 0.35 1.13 0.49 4.03 1.01 0.74 -0.53 120.40 127.62 3fwa s VAL 139 Ca 0.14 -1.06 -0.24 0.00 0.00 0.00 0.00 61.98 60.83 3fwa s VAL 139 Cb -0.12 -1.55 -0.07 0.00 0.00 0.00 0.00 36.38 34.64 3fwa s VAL 139 CO 0.03 -0.23 1.40 -1.61 0.00 0.00 0.00 175.10 174.68 3fwa s GLU 140 N 1.56 3.46 0.00 2.72 2.02 -0.21 -0.76 118.70 127.50 3fwa s GLU 140 Ca -0.02 2.35 0.21 0.00 0.02 0.00 0.00 54.97 57.53 3fwa s GLU 140 Cb -0.18 -2.49 0.94 0.00 0.10 0.00 0.00 34.13 32.50 3fwa s GLU 140 CO -0.09 -0.97 1.66 -1.13 0.02 0.00 0.00 175.26 174.74 3fwa n SER 141 N -0.53 0.00 -0.02 -0.19 3.41 -0.11 -1.48 113.62 114.70 3fwa n SER 141 Ca 0.07 0.30 0.14 0.00 -0.26 0.00 0.00 58.87 59.12 3fwa n SER 141 Cb 0.43 -0.42 0.53 0.00 -0.26 0.00 0.00 64.21 64.49 3fwa n SER 141 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3fwa n GLY 142 N 0.56 -1.33 3.77 5.00 0.00 0.31 -1.90 105.19 111.61 3fwa n GLY 142 Ca 0.07 -0.20 -0.41 0.00 0.00 0.00 0.00 46.02 45.48 3fwa n GLY 142 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3fwa s SER 143 N -2.88 6.75 0.57 1.61 0.01 -0.55 -4.71 113.70 114.50 3fwa s SER 143 Ca 0.17 2.71 -0.04 0.00 1.31 0.00 0.00 55.95 60.10 3fwa s SER 143 Cb 0.19 -2.65 0.02 0.00 0.21 0.00 0.00 66.02 63.78 3fwa s SER 143 CO 0.56 -0.55 0.85 0.42 0.41 0.00 0.00 173.24 174.93 3fwa s THR 144 N -1.14 3.45 0.23 1.44 -4.23 -1.26 -0.73 115.64 113.40 3fwa s THR 144 Ca 0.49 -0.20 -0.08 0.00 -1.18 0.00 0.00 61.69 60.72 3fwa s THR 144 Cb -0.40 -3.35 0.20 0.00 1.34 0.00 0.00 72.50 70.28 3fwa s THR 144 CO 0.54 -0.33 1.88 -0.07 -0.54 0.00 0.00 174.62 176.10 3fwa h LEU 145 N -0.09 0.92 -0.38 4.79 3.38 -0.86 -1.11 115.31 121.96 3fwa h LEU 145 Ca -0.45 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.50 3fwa h LEU 145 Cb 1.27 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.79 3fwa h LEU 145 CO 0.59 0.64 0.22 1.23 0.09 0.00 0.00 178.44 181.22 3fwa h GLY 146 N 1.08 0.56 1.01 0.83 0.00 -1.03 0.16 103.07 105.69 3fwa h GLY 146 Ca 0.33 -0.24 0.00 0.00 0.00 0.00 0.00 47.33 47.42 3fwa h GLY 146 CO -0.10 0.24 0.50 0.83 0.00 0.00 0.00 176.54 178.00 3fwa h GLU 147 N 0.49 1.06 0.06 4.80 5.08 -1.24 0.02 114.58 124.86 3fwa h GLU 147 Ca 0.14 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 58.41 3fwa h GLU 147 Cb 0.03 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.05 3fwa h GLU 147 CO -0.02 0.73 -0.03 1.25 -1.00 0.00 0.00 179.01 179.94 3fwa h LEU 148 N 1.08 -0.07 -0.75 1.33 5.85 -0.82 -1.42 115.31 120.50 3fwa h LEU 148 Ca 0.29 -0.15 0.04 0.00 0.84 0.00 0.00 57.88 58.89 3fwa h LEU 148 Cb -0.07 0.02 -0.05 0.00 0.37 0.00 0.00 40.66 40.93 3fwa h LEU 148 CO -0.06 0.11 0.47 1.88 -0.34 0.00 0.00 178.44 180.50 3fwa h TYR 149 N -0.25 0.88 -0.30 1.25 0.05 -0.50 -1.02 116.97 117.07 3fwa h TYR 149 Ca -0.01 0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.79 3fwa h TYR 149 Cb 0.22 -0.29 -0.01 0.00 1.01 0.00 0.00 36.73 37.66 3fwa h TYR 149 CO -0.02 0.49 0.16 -0.92 -1.05 0.00 0.00 178.16 176.82 3fwa h TYR 150 N 0.90 0.42 -0.82 4.88 3.20 -0.90 -0.87 116.97 123.77 3fwa h TYR 150 Ca 0.31 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.19 3fwa h TYR 150 Cb 0.06 -0.13 -0.05 0.00 1.54 0.00 0.00 36.73 38.15 3fwa h TYR 150 CO -0.04 0.34 0.54 0.00 -1.64 0.00 0.00 178.16 177.36 3fwa h ALA 151 N 1.04 1.07 -0.08 1.82 0.00 -0.78 -0.82 119.26 121.50 3fwa h ALA 151 Ca 0.11 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 3fwa h ALA 151 Cb 0.06 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.54 3fwa h ALA 151 CO -0.02 0.41 0.01 0.82 0.00 0.00 0.00 179.25 180.47 3fwa h ILE 152 N 1.07 1.23 -0.74 0.00 2.04 -0.85 -2.33 117.51 117.93 3fwa h ILE 152 Ca 0.32 -0.72 0.00 0.00 1.00 0.00 0.00 64.86 65.45 3fwa h ILE 152 Cb -0.06 1.56 -0.04 0.00 -0.74 0.00 0.00 36.82 37.54 3fwa h ILE 152 CO -0.09 0.20 0.47 0.74 0.00 0.00 0.00 178.15 179.47 3fwa h THR 153 N -0.12 1.20 0.00 -0.27 2.02 -0.97 -1.50 112.91 113.27 3fwa h THR 153 Ca 0.02 -0.41 -0.07 0.00 0.77 0.00 0.00 66.41 66.72 3fwa h THR 153 Cb 0.31 0.13 -0.01 0.00 -1.74 0.00 0.00 68.15 66.84 3fwa h THR 153 CO 0.00 0.20 -0.35 -0.33 0.37 0.00 0.00 175.52 175.41 3fwa h GLU 154 N 1.02 0.00 0.00 6.66 4.39 -1.01 -3.18 114.58 122.45 3fwa h GLU 154 Ca 0.27 0.00 -0.22 0.00 0.34 0.00 0.00 59.36 59.75 3fwa h GLU 154 Cb -0.07 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.54 3fwa h GLU 154 CO -0.05 0.35 -1.28 0.66 -1.16 0.00 0.00 179.01 177.53 3fwa h SER 155 N 0.00 0.00 -4.27 1.42 4.64 -0.74 -3.48 113.55 111.12 3fwa h SER 155 Ca -0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 3fwa h SER 155 Cb 0.64 0.00 -0.21 0.00 -0.31 0.00 0.00 62.40 62.52 3fwa h SER 155 CO 0.05 0.87 0.20 -0.55 -0.87 0.00 0.00 176.83 176.52 3fwa s SER 156 N -6.29 -0.67 0.00 4.97 0.15 -0.74 -5.02 113.70 106.10 3fwa s SER 156 Ca -0.01 1.10 0.26 0.00 0.70 0.00 0.00 55.95 58.00 3fwa s SER 156 Cb 0.09 1.05 0.77 0.00 -1.71 0.00 0.00 66.02 66.22 3fwa s SER 156 CO 0.81 -0.37 1.59 -1.54 1.20 0.00 0.00 173.24 174.93 3fwa n SER 157 N 1.95 1.99 -0.04 5.45 3.41 -1.26 -4.27 113.62 120.84 3fwa n SER 157 Ca -0.15 -1.67 0.02 0.00 -0.26 0.00 0.00 58.87 56.81 3fwa n SER 157 Cb 0.56 -0.02 0.03 0.00 -0.26 0.00 0.00 64.21 64.52 3fwa n SER 157 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3fwa n LYS 158 N 0.55 1.98 -4.45 4.33 5.02 -1.26 -4.11 118.16 120.21 3fwa n LYS 158 Ca 0.17 -1.51 -0.23 0.00 -2.02 0.00 0.00 58.31 54.73 3fwa n LYS 158 Cb 0.43 -0.98 -0.13 0.00 -0.02 0.00 0.00 35.03 34.32 3fwa n LYS 158 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3fwa s LEU 159 N -1.14 2.19 0.00 -0.35 1.43 -1.26 -1.66 118.68 117.90 3fwa s LEU 159 Ca 0.06 -0.52 -0.00 0.00 -1.03 0.00 0.00 54.13 52.64 3fwa s LEU 159 Cb 0.05 -0.78 0.00 0.00 0.03 0.00 0.00 46.19 45.49 3fwa s LEU 159 CO 0.01 0.08 0.02 0.61 0.23 0.00 0.00 176.35 177.30 3fwa n GLY 160 N 1.75 3.15 3.27 -3.19 0.00 0.39 -4.70 105.19 105.86 3fwa n GLY 160 Ca -0.18 -1.41 -0.14 0.00 0.00 0.00 0.00 46.02 44.30 3fwa n GLY 160 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3fwa s PHE 161 N -4.77 -0.27 -0.37 1.61 5.36 -1.26 -1.24 117.98 117.05 3fwa s PHE 161 Ca 0.01 0.47 -0.18 0.00 -0.96 0.00 0.00 56.93 56.28 3fwa s PHE 161 Cb -0.00 0.14 0.00 0.00 -0.34 0.00 0.00 43.02 42.82 3fwa s PHE 161 CO 0.01 -0.39 0.49 -0.08 -1.46 0.00 0.00 175.22 173.79 3fwa s THR 162 N -1.08 5.03 0.00 0.12 -1.32 -1.26 -4.98 115.64 112.14 3fwa s THR 162 Ca -0.11 0.12 0.00 0.00 -1.21 0.00 0.00 61.69 60.49 3fwa s THR 162 Cb -0.04 -3.99 0.00 0.00 -1.51 0.00 0.00 72.50 66.96 3fwa s THR 162 CO 0.04 -0.29 0.00 0.00 -2.21 0.00 0.00 174.62 172.17 3fwa n ALA 163 N 5.72 0.00 -0.98 11.08 0.00 -1.26 -2.58 120.51 132.48 3fwa n ALA 163 Ca -0.06 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.09 3fwa n ALA 163 Cb 0.48 0.00 0.22 0.00 0.00 0.00 0.00 19.45 20.15 3fwa n ALA 163 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3fwa s GLY 164 N -0.99 1.55 0.19 0.00 0.00 -1.23 -3.59 107.32 103.25 3fwa s GLY 164 Ca 0.00 -0.52 0.12 0.00 0.00 0.00 0.00 44.72 44.32 3fwa s GLY 164 CO 0.00 0.21 1.28 0.11 0.00 0.00 0.00 173.10 174.70 3fwa h TRP 165 N -2.33 0.00 -3.41 1.90 5.08 -1.98 -3.46 115.95 111.75 3fwa h TRP 165 Ca -0.53 0.00 -0.60 0.00 1.08 0.00 0.00 58.89 58.84 3fwa h TRP 165 Cb 1.33 0.00 -0.10 0.00 -3.00 0.00 0.00 29.16 27.39 3fwa h TRP 165 CO -0.56 0.70 0.38 0.00 -1.28 0.00 0.00 178.44 177.67 3fwa s ALA 166 N -2.86 3.57 0.00 0.11 0.00 -1.26 -4.62 121.76 116.70 3fwa s ALA 166 Ca 0.02 -0.37 0.32 0.00 0.00 0.00 0.00 51.96 51.93 3fwa s ALA 166 Cb 0.08 -3.26 1.33 0.00 0.00 0.00 0.00 23.12 21.28 3fwa s ALA 166 CO 0.78 -1.09 1.94 -1.00 0.00 0.00 0.00 175.76 176.40 3fwa h PRO 167 N 8.00 0.00 -0.01 0.00 0.13 -1.93 -2.63 132.00 135.55 3fwa h PRO 167 Ca -0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 3fwa h PRO 167 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 3fwa h PRO 167 CO 0.86 0.00 -0.16 0.25 -0.23 0.00 0.00 178.00 178.72 3fwa n THR 168 N -2.91 0.00 -2.04 1.56 -2.24 -1.26 -0.61 114.28 106.78 3fwa n THR 168 Ca 0.01 -0.23 -0.41 0.00 -2.27 0.00 0.00 64.05 61.14 3fwa n THR 168 Cb 0.28 0.68 -0.02 0.00 -2.10 0.00 0.00 70.33 69.16 3fwa n THR 168 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3fwa s VAL 169 N -2.26 2.66 0.23 2.28 1.01 -0.99 -4.71 120.40 118.61 3fwa s VAL 169 Ca 0.29 0.60 -0.23 0.00 0.00 0.00 0.00 61.98 62.64 3fwa s VAL 169 Cb 0.20 -3.38 -0.08 0.00 0.00 0.00 0.00 36.38 33.11 3fwa s VAL 169 CO 0.43 0.12 0.79 -0.83 0.00 0.00 0.00 175.10 175.61 3fwa s GLY 170 N 0.00 2.75 0.49 4.51 0.00 -1.26 -0.54 107.32 113.27 3fwa s GLY 170 Ca 0.55 0.30 0.24 0.00 0.00 0.00 0.00 44.72 45.81 3fwa s GLY 170 CO 0.48 0.72 2.02 -0.91 0.00 0.00 0.00 173.10 175.41 3fwa h THR 171 N 2.89 0.71 0.36 0.90 1.35 -1.09 -1.94 112.91 116.09 3fwa h THR 171 Ca -0.47 -0.67 -0.02 0.00 -0.55 0.00 0.00 66.41 64.70 3fwa h THR 171 Cb 1.20 1.41 0.00 0.00 -1.73 0.00 0.00 68.15 69.03 3fwa h THR 171 CO 0.65 0.16 -0.17 1.23 -0.25 0.00 0.00 175.52 177.14 3fwa h GLY 172 N 0.94 -0.50 0.85 5.82 0.00 -1.60 -2.05 103.07 106.52 3fwa h GLY 172 Ca -0.00 0.19 -0.15 0.00 0.00 0.00 0.00 47.33 47.36 3fwa h GLY 172 CO 0.02 -0.18 -0.56 -1.33 0.00 0.00 0.00 176.54 174.49 3fwa h GLY 173 N -0.53 0.53 0.81 4.60 0.00 -1.85 -3.24 103.07 103.39 3fwa h GLY 173 Ca -0.05 -0.82 -0.01 0.00 0.00 0.00 0.00 47.33 46.45 3fwa h GLY 173 CO 0.08 0.73 -0.11 0.84 0.00 0.00 0.00 176.54 178.08 3fwa h HIS 174 N 0.03 -0.28 -0.13 5.60 6.17 -1.36 -2.18 115.15 123.02 3fwa h HIS 174 Ca -0.05 -0.01 -0.13 0.00 0.71 0.00 0.00 60.37 60.89 3fwa h HIS 174 Cb 1.23 0.09 -0.01 0.00 2.52 0.00 0.00 27.41 31.24 3fwa h HIS 174 CO 0.13 -0.03 -0.48 0.82 0.71 0.00 0.00 177.93 179.08 3fwa h ILE 175 N -0.49 1.33 -0.25 6.26 2.04 -1.57 -2.32 117.51 122.52 3fwa h ILE 175 Ca -0.03 -1.69 0.07 0.00 1.00 0.00 0.00 64.86 64.21 3fwa h ILE 175 Cb 0.37 1.76 -0.01 0.00 -0.74 0.00 0.00 36.82 38.20 3fwa h ILE 175 CO 0.05 0.51 0.18 0.28 0.00 0.00 0.00 178.15 179.17 3fwa h SER 176 N 0.26 0.00 -0.21 1.72 0.02 -1.54 -2.21 113.55 111.60 3fwa h SER 176 Ca 0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 3fwa h SER 176 Cb 0.94 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.48 3fwa h SER 176 CO 0.08 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.38 3fwa n GLY 177 N -1.58 1.23 0.00 -3.77 0.00 -0.84 -0.79 105.19 99.44 3fwa n GLY 177 Ca 0.03 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.41 3fwa n GLY 177 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fwa n GLY 178 N 1.25 1.94 0.00 -0.02 0.00 -0.83 -4.26 105.19 103.27 3fwa n GLY 178 Ca 0.15 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.41 3fwa n GLY 178 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fwa n GLY 179 N 0.00 0.49 3.70 -0.02 0.00 -1.22 -1.28 105.19 106.85 3fwa n GLY 179 Ca 0.00 -0.74 -0.35 0.00 0.00 0.00 0.00 46.02 44.93 3fwa n GLY 179 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3fwa s PHE 180 N 0.00 3.22 0.00 1.61 5.36 -1.26 -0.96 117.98 125.95 3fwa s PHE 180 Ca 0.00 0.21 0.00 0.00 -0.96 0.00 0.00 56.93 56.18 3fwa s PHE 180 Cb 0.00 -1.84 0.00 0.00 -0.34 0.00 0.00 43.02 40.84 3fwa s PHE 180 CO 0.00 0.46 0.00 0.41 -1.46 0.00 0.00 175.22 174.63 3fwa n GLY 181 N 2.27 2.93 0.15 13.12 0.00 -1.24 -3.50 105.19 118.93 3fwa n GLY 181 Ca -0.19 -1.01 0.12 0.00 0.00 0.00 0.00 46.02 44.95 3fwa n GLY 181 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 3fwa h MET 182 N 0.00 0.00 -0.46 1.61 2.86 -1.92 -1.27 114.93 115.76 3fwa h MET 182 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3fwa h MET 182 Cb 0.00 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.66 3fwa h MET 182 CO 0.00 0.00 0.00 -1.33 1.06 0.00 0.00 176.91 176.64 3fwa n MET 183 N -2.30 2.80 0.23 1.72 2.81 -1.26 -4.62 117.12 116.50 3fwa n MET 183 Ca 0.01 -2.22 0.09 0.00 -1.81 0.00 0.00 57.70 53.77 3fwa n MET 183 Cb 0.18 -1.36 0.53 0.00 -0.71 0.00 0.00 33.22 31.86 3fwa n MET 183 CO 0.00 0.00 0.00 0.77 1.51 0.00 0.00 175.97 178.25 3fwa h SER 184 N 2.71 0.00 0.91 7.83 0.02 -1.37 -0.14 113.55 123.51 3fwa h SER 184 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3fwa h SER 184 Cb 0.81 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.35 3fwa h SER 184 CO 0.00 0.23 0.00 0.03 -1.14 0.00 0.00 176.83 175.95 3fwa h ARG 185 N 0.00 0.00 0.00 3.45 3.08 -1.82 0.10 114.38 119.20 3fwa h ARG 185 Ca -0.00 0.00 -0.38 0.00 0.07 0.00 0.00 59.98 59.66 3fwa h ARG 185 Cb 0.60 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.58 3fwa h ARG 185 CO 0.03 0.00 -2.44 1.17 -1.07 0.00 0.00 179.97 177.66 3fwa n LYS 186 N -2.64 0.66 0.00 0.04 3.00 -0.68 -0.28 118.16 118.27 3fwa n LYS 186 Ca 0.02 0.12 0.00 0.00 -0.00 0.00 0.00 58.31 58.44 3fwa n LYS 186 Cb 0.28 -1.53 0.00 0.00 0.00 0.00 0.00 35.03 33.78 3fwa n LYS 186 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 3fwa n TYR 187 N -3.15 0.00 -4.13 5.64 4.01 -0.15 -4.72 117.16 114.66 3fwa n TYR 187 Ca -0.42 -0.08 0.00 0.00 -0.16 0.00 0.00 57.90 57.24 3fwa n TYR 187 Cb 1.03 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 40.05 3fwa n TYR 187 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3fwa n GLY 188 N -0.08 -0.99 3.90 2.72 0.00 0.35 -4.82 105.19 106.27 3fwa n GLY 188 Ca 0.00 -1.21 -0.28 0.00 0.00 0.00 0.00 46.02 44.53 3fwa n GLY 188 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fwa s LEU 189 N 0.00 3.46 0.21 0.99 1.43 -1.26 -4.09 118.68 119.41 3fwa s LEU 189 Ca 0.00 0.97 -0.11 0.00 -1.03 0.00 0.00 54.13 53.96 3fwa s LEU 189 Cb 0.00 -3.91 0.27 0.00 0.03 0.00 0.00 46.19 42.59 3fwa s LEU 189 CO 0.00 -0.75 1.67 0.00 0.23 0.00 0.00 176.35 177.50 3fwa h ALA 190 N 0.02 0.60 0.00 4.21 0.00 -0.78 -1.13 119.26 122.19 3fwa h ALA 190 Ca -0.46 0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 3fwa h ALA 190 Cb 1.21 0.28 -0.00 0.00 0.00 0.00 0.00 17.79 19.29 3fwa h ALA 190 CO 0.62 -0.38 -0.05 0.00 0.00 0.00 0.00 179.25 179.44 3fwa h ALA 191 N 1.52 1.20 0.00 0.00 0.00 -1.42 -0.94 119.26 119.62 3fwa h ALA 191 Ca 0.31 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.17 3fwa h ALA 191 Cb 0.49 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.27 3fwa h ALA 191 CO -0.48 0.06 0.00 -0.25 0.00 0.00 0.00 179.25 178.58 3fwa n ASP 192 N -3.44 0.00 -0.15 0.00 8.00 -0.43 -3.08 116.55 117.46 3fwa n ASP 192 Ca -0.02 0.21 0.09 0.00 0.71 0.00 0.00 54.79 55.78 3fwa n ASP 192 Cb 0.18 -0.38 0.13 0.00 -0.02 0.00 0.00 41.12 41.02 3fwa n ASP 192 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3fwa n ASN 193 N -1.38 2.05 -4.71 -2.24 3.02 -0.36 -4.96 115.26 106.68 3fwa n ASN 193 Ca 0.08 -2.99 -0.38 0.00 -0.03 0.00 0.00 54.58 51.25 3fwa n ASN 193 Cb 0.20 -0.41 -0.06 0.00 -0.61 0.00 0.00 39.78 38.90 3fwa n ASN 193 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3fwa s VAL 194 N -2.55 5.15 -0.18 2.41 1.01 -1.18 -1.11 120.40 123.95 3fwa s VAL 194 Ca 0.29 1.05 0.07 0.00 0.00 0.00 0.00 61.98 63.39 3fwa s VAL 194 Cb 0.25 -3.87 -0.10 0.00 0.00 0.00 0.00 36.38 32.67 3fwa s VAL 194 CO 0.02 0.28 0.24 1.33 0.00 0.00 0.00 175.10 176.97 3fwa n VAL 195 N 3.85 0.00 -3.82 2.92 0.24 0.25 -4.96 118.33 116.81 3fwa n VAL 195 Ca -0.05 -0.25 -0.07 0.00 -2.04 0.00 0.00 64.34 61.92 3fwa n VAL 195 Cb 0.51 0.67 -0.02 0.00 -1.47 0.00 0.00 33.84 33.53 3fwa n VAL 195 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3fwa s ASP 196 N -2.26 -0.27 0.01 -1.34 -1.08 -1.15 -4.98 116.67 105.59 3fwa s ASP 196 Ca 0.00 -0.54 -0.28 0.00 -0.52 0.00 0.00 52.55 51.21 3fwa s ASP 196 Cb 0.05 0.70 0.09 0.00 -1.46 0.00 0.00 42.92 42.30 3fwa s ASP 196 CO 0.30 -1.28 0.79 0.00 0.52 0.00 0.00 175.17 175.51 3fwa s ALA 197 N -3.84 -1.77 -0.25 3.66 0.00 -1.26 -0.83 121.76 117.48 3fwa s ALA 197 Ca 0.10 0.99 -0.04 0.00 0.00 0.00 0.00 51.96 53.02 3fwa s ALA 197 Cb -0.05 0.32 0.00 0.00 0.00 0.00 0.00 23.12 23.40 3fwa s ALA 197 CO 0.05 -0.61 -0.01 0.42 0.00 0.00 0.00 175.76 175.61 3fwa s ILE 198 N -2.72 3.46 -0.16 0.00 -1.09 -0.19 -3.11 121.20 117.40 3fwa s ILE 198 Ca 0.00 -0.63 -0.03 0.00 -2.23 0.00 0.00 60.65 57.76 3fwa s ILE 198 Cb -0.01 -2.67 -0.02 0.00 -1.58 0.00 0.00 42.46 38.18 3fwa s ILE 198 CO -0.06 0.29 -0.06 -0.22 -1.23 0.00 0.00 174.94 173.66 3fwa s LEU 199 N 1.46 3.05 -0.34 2.97 2.96 0.62 -0.32 118.68 129.07 3fwa s LEU 199 Ca 0.04 -0.23 -0.15 0.00 -0.22 0.00 0.00 54.13 53.57 3fwa s LEU 199 Cb -0.15 -1.73 -0.01 0.00 0.50 0.00 0.00 46.19 44.80 3fwa s LEU 199 CO -0.02 0.14 0.38 -0.63 -1.32 0.00 0.00 176.35 174.89 3fwa s ILE 200 N 0.54 5.15 0.57 6.68 -1.09 0.57 -1.03 121.20 132.59 3fwa s ILE 200 Ca -0.05 0.06 -0.05 0.00 -2.23 0.00 0.00 60.65 58.39 3fwa s ILE 200 Cb -0.15 -3.84 0.12 0.00 -1.58 0.00 0.00 42.46 37.02 3fwa s ILE 200 CO 0.03 -0.11 0.78 -0.90 -1.23 0.00 0.00 174.94 173.51 3fwa n ASP 201 N 5.41 0.52 0.32 3.58 5.75 -0.83 -0.62 116.55 130.68 3fwa n ASP 201 Ca -0.09 -1.56 0.19 0.00 -0.01 0.00 0.00 54.79 53.32 3fwa n ASP 201 Cb 0.49 -0.55 1.05 0.00 -1.03 0.00 0.00 41.12 41.09 3fwa n ASP 201 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3fwa h ALA 202 N -1.16 1.20 -0.17 2.12 0.00 -1.86 -0.23 119.26 119.16 3fwa h ALA 202 Ca -0.25 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3fwa h ALA 202 Cb 0.81 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.60 3fwa h ALA 202 CO 0.22 0.01 0.00 0.09 0.00 0.00 0.00 179.25 179.58 3fwa n ASN 203 N -3.39 2.83 0.00 0.00 3.02 -1.26 -4.76 115.26 111.71 3fwa n ASN 203 Ca -0.03 -1.91 0.00 0.00 -0.03 0.00 0.00 54.58 52.62 3fwa n ASN 203 Cb 0.10 -0.10 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 3fwa n ASN 203 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3fwa n GLY 204 N 1.36 0.65 3.76 7.41 0.00 -0.10 -4.84 105.19 113.44 3fwa n GLY 204 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 3fwa n GLY 204 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fwa s ALA 205 N -2.22 3.10 -0.45 4.61 0.00 -1.26 -4.74 121.76 120.81 3fwa s ALA 205 Ca 0.00 1.21 -0.10 0.00 0.00 0.00 0.00 51.96 53.07 3fwa s ALA 205 Cb 0.00 -3.49 0.10 0.00 0.00 0.00 0.00 23.12 19.73 3fwa s ALA 205 CO 0.00 -0.94 0.32 0.42 0.00 0.00 0.00 175.76 175.56 3fwa s ILE 206 N -1.32 4.35 -0.21 0.00 1.01 -1.26 -1.97 121.20 121.79 3fwa s ILE 206 Ca 0.62 -1.55 -0.03 0.00 0.00 0.00 0.00 60.65 59.69 3fwa s ILE 206 Cb -0.37 -3.75 -0.00 0.00 0.01 0.00 0.00 42.46 38.34 3fwa s ILE 206 CO 0.46 -0.65 -0.07 -0.76 0.00 0.00 0.00 174.94 173.92 3fwa s LEU 207 N 1.42 2.76 0.00 2.97 1.43 -0.20 -4.96 118.68 122.10 3fwa s LEU 207 Ca 0.04 -0.43 -0.05 0.00 -1.03 0.00 0.00 54.13 52.67 3fwa s LEU 207 Cb -0.25 -1.69 0.11 0.00 0.03 0.00 0.00 46.19 44.40 3fwa s LEU 207 CO 0.01 -0.00 0.72 -0.90 0.23 0.00 0.00 176.35 176.41 3fwa n ASP 208 N 4.68 0.53 -0.18 2.29 5.68 -1.26 -0.28 116.55 128.01 3fwa n ASP 208 Ca -0.19 -1.55 -0.02 0.00 -0.50 0.00 0.00 54.79 52.53 3fwa n ASP 208 Cb 0.51 -0.51 0.08 0.00 -1.14 0.00 0.00 41.12 40.06 3fwa n ASP 208 CO 0.00 0.00 0.00 -0.09 -1.33 0.00 0.00 177.20 175.78 3fwa h ARG 209 N 0.00 0.41 -0.96 0.11 2.43 -1.92 -0.21 114.38 114.24 3fwa h ARG 209 Ca -0.24 -0.02 0.02 0.00 -0.81 0.00 0.00 59.98 58.93 3fwa h ARG 209 Cb 0.77 -0.09 -0.05 0.00 -0.42 0.00 0.00 29.97 30.17 3fwa h ARG 209 CO 0.21 0.27 0.63 1.96 -1.51 0.00 0.00 179.97 181.54 3fwa h GLN 210 N 0.43 1.23 -0.12 0.20 4.20 -1.92 -2.15 115.11 116.97 3fwa h GLN 210 Ca 0.27 -0.07 -0.23 0.00 0.06 0.00 0.00 58.65 58.67 3fwa h GLN 210 Cb 0.27 -0.28 0.01 0.00 0.30 0.00 0.00 27.48 27.79 3fwa h GLN 210 CO -0.24 0.81 -0.84 0.00 -0.67 0.00 0.00 178.83 177.89 3fwa h ALA 211 N 1.37 0.27 0.00 3.87 0.00 -1.62 -3.28 119.26 119.87 3fwa h ALA 211 Ca 0.36 -0.62 -0.09 0.00 0.00 0.00 0.00 54.91 54.56 3fwa h ALA 211 Cb -0.09 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3fwa h ALA 211 CO -0.10 0.69 -0.44 0.00 0.00 0.00 0.00 179.25 179.40 3fwa h MET 212 N 0.51 0.00 0.00 0.00 -0.00 -1.02 -3.48 114.93 110.94 3fwa h MET 212 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.63 3fwa h MET 212 Cb 1.48 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 33.08 3fwa h MET 212 CO 0.17 0.44 0.00 0.41 -0.00 0.00 0.00 176.91 177.93 3fwa n GLY 213 N 1.10 -0.13 0.15 -3.00 0.00 -0.82 -4.32 105.19 98.18 3fwa n GLY 213 Ca 0.02 -1.72 0.01 0.00 0.00 0.00 0.00 46.02 44.33 3fwa n GLY 213 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3fwa h GLU 214 N 0.00 0.00 -0.33 1.61 4.39 -1.92 -1.01 114.58 117.32 3fwa h GLU 214 Ca 0.00 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.60 3fwa h GLU 214 Cb 0.00 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 3fwa h GLU 214 CO 0.00 0.55 -0.18 -0.44 -1.16 0.00 0.00 179.01 177.78 3fwa h ASP 215 N 0.00 0.73 0.02 1.42 3.32 -1.97 -0.89 116.42 119.04 3fwa h ASP 215 Ca -0.01 -0.41 -0.20 0.00 0.02 0.00 0.00 57.03 56.43 3fwa h ASP 215 Cb 1.07 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 40.42 3fwa h ASP 215 CO 0.07 0.98 -0.72 0.58 -1.72 0.00 0.00 179.24 178.44 3fwa h VAL 216 N 0.48 1.32 -0.24 -1.35 2.07 -1.73 -0.95 116.25 115.85 3fwa h VAL 216 Ca 0.07 -2.00 -0.05 0.00 0.82 0.00 0.00 66.70 65.54 3fwa h VAL 216 Cb 0.72 1.98 -0.01 0.00 -1.52 0.00 0.00 31.29 32.45 3fwa h VAL 216 CO 0.05 0.62 -0.08 0.15 0.02 0.00 0.00 177.57 178.34 3fwa h PHE 217 N 0.44 0.40 0.11 1.57 3.57 -1.18 -1.33 116.94 120.52 3fwa h PHE 217 Ca -0.03 -0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.42 3fwa h PHE 217 Cb 1.32 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 39.94 3fwa h PHE 217 CO 0.06 0.46 -0.05 2.35 -2.23 0.00 0.00 178.31 178.90 3fwa h TRP 218 N 0.36 -0.14 -0.85 0.41 7.01 -1.05 -3.28 115.95 118.41 3fwa h TRP 218 Ca 0.08 -0.00 0.08 0.00 2.11 0.00 0.00 58.89 61.15 3fwa h TRP 218 Cb 0.37 0.05 -0.07 0.00 -2.10 0.00 0.00 29.16 27.41 3fwa h TRP 218 CO 0.01 0.16 0.51 0.00 -2.79 0.00 0.00 178.44 176.32 3fwa h ALA 219 N 0.41 1.19 0.00 2.65 0.00 -0.61 -1.94 119.26 120.97 3fwa h ALA 219 Ca -0.02 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 3fwa h ALA 219 Cb 0.36 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 3fwa h ALA 219 CO 0.02 0.19 -0.00 -0.84 0.00 0.00 0.00 179.25 178.62 3fwa h ILE 220 N 0.89 0.00 -0.79 0.00 3.07 -1.35 0.11 117.51 119.43 3fwa h ILE 220 Ca 0.39 -0.50 -0.46 0.00 1.55 0.00 0.00 64.86 65.83 3fwa h ILE 220 Cb 0.28 1.50 -0.14 0.00 -0.27 0.00 0.00 36.82 38.19 3fwa h ILE 220 CO -0.21 0.00 0.59 0.54 -1.05 0.00 0.00 178.15 178.02 3fwa n ARG 221 N -3.09 2.63 0.00 0.16 1.74 -0.73 -4.25 116.66 113.12 3fwa n ARG 221 Ca 0.01 -2.17 0.00 0.00 -0.77 0.00 0.00 57.85 54.92 3fwa n ARG 221 Cb 0.30 -2.20 0.00 0.00 -1.02 0.00 0.00 32.46 29.55 3fwa n ARG 221 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3fwa n GLY 222 N 1.45 0.74 0.00 -0.13 0.00 -0.76 -4.04 105.19 102.46 3fwa n GLY 222 Ca 0.50 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.65 3fwa n GLY 222 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fwa n GLY 223 N 0.00 -0.90 0.00 -0.02 0.00 0.39 -4.47 105.19 100.20 3fwa n GLY 223 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.87 3fwa n GLY 223 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fwa n GLY 224 N 0.70 2.49 3.79 -0.02 0.00 0.03 -4.90 105.19 107.27 3fwa n GLY 224 Ca 0.18 -1.58 -0.32 0.00 0.00 0.00 0.00 46.02 44.30 3fwa n GLY 224 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3fwa s GLY 225 N 0.00 1.89 -0.36 -0.02 0.00 -1.26 -4.17 107.32 103.40 3fwa s GLY 225 Ca 0.00 0.31 0.00 0.00 0.00 0.00 0.00 44.72 45.03 3fwa s GLY 225 CO 0.00 0.64 0.00 0.61 0.00 0.00 0.00 173.10 174.35 3fwa n GLY 226 N -1.21 0.50 0.00 0.20 0.00 -1.26 -4.90 105.19 98.52 3fwa n GLY 226 Ca 0.09 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.26 3fwa n GLY 226 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3fwa n VAL 227 N -3.29 0.00 0.30 1.61 0.31 -1.26 -3.34 118.33 112.65 3fwa n VAL 227 Ca -0.04 0.00 0.07 0.00 -0.01 0.00 0.00 64.34 64.36 3fwa n VAL 227 Cb 0.27 -0.51 -0.09 0.00 -0.91 0.00 0.00 33.84 32.60 3fwa n VAL 227 CO 0.00 0.00 0.00 0.79 -1.32 0.00 0.00 176.83 176.30 3fwa n TRP 228 N -1.61 0.00 0.00 3.52 7.02 -1.26 -4.64 117.44 120.47 3fwa n TRP 228 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.48 3fwa n TRP 228 Cb 0.30 -0.16 0.00 0.00 -2.42 0.00 0.00 31.31 29.03 3fwa n TRP 228 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3fwa n GLY 229 N 1.52 0.85 3.42 6.99 0.00 -1.26 -4.72 105.19 112.00 3fwa n GLY 229 Ca -0.00 -1.98 -0.38 0.00 0.00 0.00 0.00 46.02 43.66 3fwa n GLY 229 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fwa s ALA 230 N -1.19 3.21 0.05 4.61 0.00 0.21 -4.63 121.76 124.01 3fwa s ALA 230 Ca 0.00 -1.35 -0.31 0.00 0.00 0.00 0.00 51.96 50.31 3fwa s ALA 230 Cb 0.00 -2.27 -0.07 0.00 0.00 0.00 0.00 23.12 20.78 3fwa s ALA 230 CO 0.00 -0.82 1.59 0.42 0.00 0.00 0.00 175.76 176.95 3fwa s ILE 231 N 1.59 3.23 -0.11 0.00 -1.09 -1.26 -0.32 121.20 123.23 3fwa s ILE 231 Ca 0.05 0.65 -0.15 0.00 -2.23 0.00 0.00 60.65 58.96 3fwa s ILE 231 Cb -0.17 -3.42 -0.27 0.00 -1.58 0.00 0.00 42.46 37.03 3fwa s ILE 231 CO 0.05 -0.00 0.52 0.22 -1.23 0.00 0.00 174.94 174.50 3fwa h TYR 232 N 8.23 0.42 -2.80 3.97 3.20 -1.03 -3.42 116.97 125.54 3fwa h TYR 232 Ca -0.41 -0.31 -0.08 0.00 3.14 0.00 0.00 58.73 61.07 3fwa h TYR 232 Cb 1.19 -0.02 -0.18 0.00 1.54 0.00 0.00 36.73 39.27 3fwa h TYR 232 CO 0.77 1.57 -0.06 0.00 -1.64 0.00 0.00 178.16 178.80 3fwa s ALA 233 N -2.48 -1.15 -0.07 1.82 0.00 -1.19 -0.93 121.76 117.76 3fwa s ALA 233 Ca -0.21 0.54 0.01 0.00 0.00 0.00 0.00 51.96 52.30 3fwa s ALA 233 Cb 0.05 0.23 -0.03 0.00 0.00 0.00 0.00 23.12 23.37 3fwa s ALA 233 CO 0.76 -0.41 -0.06 -1.58 0.00 0.00 0.00 175.76 174.47 3fwa s TRP 234 N -1.99 2.96 -0.27 0.00 0.52 0.06 -1.02 118.94 119.21 3fwa s TRP 234 Ca -0.08 0.04 -0.07 0.00 0.02 0.00 0.00 56.10 56.01 3fwa s TRP 234 Cb -0.02 -1.71 -0.02 0.00 -1.15 0.00 0.00 33.47 30.57 3fwa s TRP 234 CO 0.01 0.35 0.08 0.21 0.02 0.00 0.00 176.95 177.63 3fwa s LYS 235 N -0.86 3.45 0.14 4.98 2.20 -0.01 -0.19 119.74 129.47 3fwa s LYS 235 Ca 0.13 -0.62 0.09 0.00 -0.36 0.00 0.00 55.97 55.21 3fwa s LYS 235 Cb -0.11 -3.37 -0.04 0.00 -1.51 0.00 0.00 37.83 32.80 3fwa s LYS 235 CO 0.02 -0.29 -0.13 0.96 -0.36 0.00 0.00 175.35 175.55 3fwa s ILE 236 N 1.58 3.07 -0.16 5.43 -4.36 -0.07 -0.58 121.20 126.12 3fwa s ILE 236 Ca 0.05 -1.53 -0.23 0.00 -0.26 0.00 0.00 60.65 58.68 3fwa s ILE 236 Cb -0.16 -2.46 -0.02 0.00 1.25 0.00 0.00 42.46 41.06 3fwa s ILE 236 CO 0.04 0.01 0.70 -0.75 0.24 0.00 0.00 174.94 175.18 3fwa s LYS 237 N -2.44 4.29 0.40 0.37 2.47 -0.27 -1.39 119.74 123.16 3fwa s LYS 237 Ca 0.21 0.79 -0.23 0.00 -1.56 0.00 0.00 55.97 55.18 3fwa s LYS 237 Cb -0.10 -3.54 -0.10 0.00 -1.46 0.00 0.00 37.83 32.63 3fwa s LYS 237 CO 0.13 -0.19 0.97 -0.51 0.16 0.00 0.00 175.35 175.91 3fwa s LEU 238 N 1.70 4.08 0.05 5.43 1.43 -0.33 -4.94 118.68 126.10 3fwa s LEU 238 Ca 0.33 1.80 0.09 0.00 -1.03 0.00 0.00 54.13 55.32 3fwa s LEU 238 Cb -0.16 -4.33 -0.03 0.00 0.03 0.00 0.00 46.19 41.69 3fwa s LEU 238 CO 0.13 -0.32 -0.25 -0.76 0.23 0.00 0.00 176.35 175.38 3fwa s LEU 239 N -2.78 2.25 0.31 1.79 1.43 -0.37 -4.86 118.68 116.45 3fwa s LEU 239 Ca 0.58 -0.58 -0.29 0.00 -1.03 0.00 0.00 54.13 52.81 3fwa s LEU 239 Cb -0.14 -1.32 -0.10 0.00 0.03 0.00 0.00 46.19 44.66 3fwa s LEU 239 CO 0.19 0.25 1.30 -2.84 0.23 0.00 0.00 176.35 175.48 3fwa s PRO 240 N -1.34 4.38 0.04 1.29 0.02 -1.26 -0.46 135.00 137.65 3fwa s PRO 240 Ca 0.12 2.17 0.02 0.00 0.02 0.00 0.00 61.00 63.33 3fwa s PRO 240 Cb -0.10 -3.09 -0.02 0.00 0.02 0.00 0.00 34.50 31.30 3fwa s PRO 240 CO 0.03 -0.18 -0.07 0.14 -0.33 0.00 0.00 177.00 176.59 3fwa s VAL 241 N -0.94 0.44 0.77 3.83 -7.23 -0.66 -4.77 120.40 111.84 3fwa s VAL 241 Ca 0.50 -1.00 -0.11 0.00 -1.81 0.00 0.00 61.98 59.56 3fwa s VAL 241 Cb -0.39 -0.52 0.05 0.00 0.56 0.00 0.00 36.38 36.08 3fwa s VAL 241 CO 0.50 -0.38 1.09 -2.84 -0.31 0.00 0.00 175.10 173.16 3fwa s PRO 242 N -1.49 2.27 0.49 4.82 0.02 -1.26 -4.42 135.00 135.44 3fwa s PRO 242 Ca -0.11 1.18 0.25 0.00 0.02 0.00 0.00 61.00 62.34 3fwa s PRO 242 Cb -0.10 -1.90 1.30 0.00 0.02 0.00 0.00 34.50 33.82 3fwa s PRO 242 CO 0.00 -1.63 2.02 0.93 -0.33 0.00 0.00 177.00 177.99 3fwa h GLU 243 N -1.08 0.00 -4.49 5.54 5.08 -1.95 -3.41 114.58 114.27 3fwa h GLU 243 Ca -0.44 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.39 3fwa h GLU 243 Cb 1.23 0.00 -0.35 0.00 0.50 0.00 0.00 28.75 30.14 3fwa h GLU 243 CO 0.51 0.16 -0.82 0.15 -1.00 0.00 0.00 179.01 178.02 3fwa s LYS 244 N -4.19 1.76 0.42 2.33 1.02 -1.26 -4.14 119.74 115.68 3fwa s LYS 244 Ca -0.03 -0.40 0.07 0.00 0.02 0.00 0.00 55.97 55.64 3fwa s LYS 244 Cb 0.13 -1.56 -0.05 0.00 -0.52 0.00 0.00 37.83 35.83 3fwa s LYS 244 CO 0.61 -0.08 0.15 0.14 -0.92 0.00 0.00 175.35 175.25 3fwa s VAL 245 N 1.03 2.20 -0.08 3.17 -7.23 0.79 -4.12 120.40 116.16 3fwa s VAL 245 Ca -0.07 -1.76 0.05 0.00 -1.81 0.00 0.00 61.98 58.38 3fwa s VAL 245 Cb -0.15 -2.96 -0.00 0.00 0.56 0.00 0.00 36.38 33.83 3fwa s VAL 245 CO -0.01 0.00 -0.23 -0.89 -0.31 0.00 0.00 175.10 173.66 3fwa s THR 246 N -2.63 1.94 0.14 5.32 2.01 -0.64 -1.27 115.64 120.51 3fwa s THR 246 Ca 0.39 -0.97 0.04 0.00 0.31 0.00 0.00 61.69 61.45 3fwa s THR 246 Cb 0.05 -1.67 -0.04 0.00 0.01 0.00 0.00 72.50 70.85 3fwa s THR 246 CO 0.21 0.54 -0.09 0.68 -0.69 0.00 0.00 174.62 175.27 3fwa s VAL 247 N 0.17 1.05 0.01 3.82 -7.23 -0.19 -0.31 120.40 117.73 3fwa s VAL 247 Ca -0.12 -2.03 -0.07 0.00 -1.81 0.00 0.00 61.98 57.95 3fwa s VAL 247 Cb -0.16 -1.85 -0.00 0.00 0.56 0.00 0.00 36.38 34.93 3fwa s VAL 247 CO 0.06 -0.74 0.13 0.72 -0.31 0.00 0.00 175.10 174.96 3fwa s PHE 248 N -3.40 0.08 -0.29 2.82 -0.12 -0.74 -1.05 117.98 115.27 3fwa s PHE 248 Ca 0.17 -0.22 -0.03 0.00 -0.05 0.00 0.00 56.93 56.79 3fwa s PHE 248 Cb 0.03 -0.07 0.10 0.00 -0.63 0.00 0.00 43.02 42.45 3fwa s PHE 248 CO 0.00 -0.30 0.12 0.50 -0.05 0.00 0.00 175.22 175.49 3fwa s ARG 249 N -1.64 0.34 -0.11 1.99 3.52 -1.25 -0.89 118.95 120.91 3fwa s ARG 249 Ca -0.13 -0.68 0.01 0.00 -0.13 0.00 0.00 55.73 54.81 3fwa s ARG 249 Cb -0.06 -1.41 0.02 0.00 -1.56 0.00 0.00 34.95 31.94 3fwa s ARG 249 CO 0.00 -1.00 -0.14 0.08 -0.81 0.00 0.00 175.30 173.43 3fwa s VAL 250 N 1.96 1.43 -0.25 7.11 1.01 -0.50 -4.95 120.40 126.22 3fwa s VAL 250 Ca 0.09 -0.60 -0.14 0.00 0.00 0.00 0.00 61.98 61.34 3fwa s VAL 250 Cb -0.16 -1.32 -0.04 0.00 0.00 0.00 0.00 36.38 34.85 3fwa s VAL 250 CO -0.33 0.43 0.30 -0.89 0.00 0.00 0.00 175.10 174.61 3fwa s THR 251 N 1.05 5.24 -0.20 3.92 2.01 -1.26 -0.12 115.64 126.28 3fwa s THR 251 Ca -0.06 0.46 -0.16 0.00 0.31 0.00 0.00 61.69 62.24 3fwa s THR 251 Cb -0.15 -3.63 -0.04 0.00 0.01 0.00 0.00 72.50 68.69 3fwa s THR 251 CO -0.02 0.24 0.41 -0.54 -0.69 0.00 0.00 174.62 174.02 3fwa s LYS 252 N 1.59 4.18 -0.41 4.92 -0.14 0.97 -4.93 119.74 125.92 3fwa s LYS 252 Ca 0.13 0.23 -0.10 0.00 -1.36 0.00 0.00 55.97 54.86 3fwa s LYS 252 Cb -0.15 -3.53 0.06 0.00 -1.68 0.00 0.00 37.83 32.53 3fwa s LYS 252 CO 0.08 -0.03 0.25 -0.80 -0.76 0.00 0.00 175.35 174.09 3fwa s ASN 253 N 1.02 5.71 0.36 2.83 0.01 -1.26 -1.36 114.94 122.25 3fwa s ASN 253 Ca 0.20 -1.30 0.07 0.00 -0.71 0.00 0.00 52.86 51.11 3fwa s ASN 253 Cb -0.15 -2.01 -0.03 0.00 0.41 0.00 0.00 41.25 39.47 3fwa s ASN 253 CO 0.08 -0.49 0.25 1.33 -1.51 0.00 0.00 177.10 176.76 3fwa n VAL 254 N 4.97 0.00 -2.95 1.60 0.24 -0.45 -4.98 118.33 116.77 3fwa n VAL 254 Ca -0.11 -2.47 -0.18 0.00 -2.04 0.00 0.00 64.34 59.54 3fwa n VAL 254 Cb 0.44 1.15 0.02 0.00 -1.47 0.00 0.00 33.84 33.98 3fwa n VAL 254 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3fwa s ALA 255 N -3.32 4.44 0.34 2.33 0.00 -1.26 -1.17 121.76 123.13 3fwa s ALA 255 Ca 0.36 -1.69 0.05 0.00 0.00 0.00 0.00 51.96 50.67 3fwa s ALA 255 Cb 0.02 -1.68 0.62 0.00 0.00 0.00 0.00 23.12 22.08 3fwa s ALA 255 CO 0.25 -0.47 1.89 0.97 0.00 0.00 0.00 175.76 178.40 3fwa h ILE 256 N 0.45 1.19 -0.18 0.00 2.10 -1.95 -0.47 117.51 118.65 3fwa h ILE 256 Ca -0.39 -0.73 -0.01 0.00 1.08 0.00 0.00 64.86 64.81 3fwa h ILE 256 Cb 1.28 0.91 -0.01 0.00 -1.09 0.00 0.00 36.82 37.91 3fwa h ILE 256 CO 0.45 0.25 0.08 0.44 -1.08 0.00 0.00 178.15 178.30 3fwa h ASP 257 N 0.51 0.25 -0.41 2.19 3.32 -1.98 0.68 116.42 120.97 3fwa h ASP 257 Ca 0.11 -0.15 -0.10 0.00 0.02 0.00 0.00 57.03 56.91 3fwa h ASP 257 Cb 0.30 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.77 3fwa h ASP 257 CO 0.01 0.33 -0.14 -0.08 -1.72 0.00 0.00 179.24 177.64 3fwa h GLU 258 N 0.15 0.83 -1.01 3.56 4.81 -1.90 -2.26 114.58 118.76 3fwa h GLU 258 Ca 0.06 -0.34 0.01 0.00 -0.13 0.00 0.00 59.36 58.97 3fwa h GLU 258 Cb 0.16 -0.04 -0.05 0.00 0.63 0.00 0.00 28.75 29.45 3fwa h GLU 258 CO -0.01 0.96 0.67 0.00 -0.73 0.00 0.00 179.01 179.91 3fwa h ALA 259 N 0.84 1.29 -0.39 2.92 0.00 -0.94 0.11 119.26 123.08 3fwa h ALA 259 Ca 0.10 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 3fwa h ALA 259 Cb 0.68 -0.40 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 3fwa h ALA 259 CO 0.05 0.66 0.06 1.15 0.00 0.00 0.00 179.25 181.17 3fwa h THR 260 N 1.36 1.24 -0.55 0.00 2.02 -0.76 -0.82 112.91 115.40 3fwa h THR 260 Ca 0.37 -0.86 -0.07 0.00 0.77 0.00 0.00 66.41 66.63 3fwa h THR 260 Cb -0.14 1.05 -0.02 0.00 -1.74 0.00 0.00 68.15 67.30 3fwa h THR 260 CO -0.08 0.29 0.08 0.28 0.37 0.00 0.00 175.52 176.45 3fwa h SER 261 N 0.49 0.83 -0.13 4.18 0.02 -0.90 -0.12 113.55 117.92 3fwa h SER 261 Ca 0.12 -0.18 -0.01 0.00 -0.84 0.00 0.00 61.79 60.88 3fwa h SER 261 Cb 0.36 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.68 3fwa h SER 261 CO 0.01 0.85 0.03 -0.07 -1.14 0.00 0.00 176.83 176.51 3fwa h LEU 262 N 0.83 0.19 -0.58 5.07 3.38 -0.60 -1.93 115.31 121.66 3fwa h LEU 262 Ca 0.17 -0.23 -0.11 0.00 0.09 0.00 0.00 57.88 57.80 3fwa h LEU 262 Cb 0.39 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 3fwa h LEU 262 CO 0.01 0.38 -0.06 -0.07 0.09 0.00 0.00 178.44 178.79 3fwa h LEU 263 N 0.00 1.05 -0.81 1.67 3.38 -1.00 0.13 115.31 119.74 3fwa h LEU 263 Ca 0.04 -0.33 -0.05 0.00 0.09 0.00 0.00 57.88 57.63 3fwa h LEU 263 Cb 0.26 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 3fwa h LEU 263 CO 0.00 1.13 0.28 -0.74 0.09 0.00 0.00 178.44 179.21 3fwa h HIS 264 N 0.95 1.19 -0.13 1.13 2.76 -0.99 -2.42 115.15 117.65 3fwa h HIS 264 Ca 0.16 -0.10 -0.21 0.00 -2.20 0.00 0.00 60.37 58.01 3fwa h HIS 264 Cb 0.63 -0.35 0.01 0.00 1.55 0.00 0.00 27.41 29.24 3fwa h HIS 264 CO 0.04 0.91 -0.77 -0.22 -1.30 0.00 0.00 177.93 176.60 3fwa h LYS 265 N 1.13 0.67 -0.89 5.26 3.64 -1.25 -3.28 116.57 121.84 3fwa h LYS 265 Ca 0.25 -0.56 0.20 0.00 -1.27 0.00 0.00 60.65 59.27 3fwa h LYS 265 Cb 0.25 0.12 -0.11 0.00 -0.41 0.00 0.00 32.23 32.07 3fwa h LYS 265 CO -0.02 1.17 0.42 2.35 -2.27 0.00 0.00 179.45 181.11 3fwa h TRP 266 N 0.46 0.72 -0.34 1.91 7.01 -0.26 -1.27 115.95 124.18 3fwa h TRP 266 Ca -0.05 0.04 -0.01 0.00 2.11 0.00 0.00 58.89 60.98 3fwa h TRP 266 Cb 1.39 -0.18 -0.02 0.00 -2.10 0.00 0.00 29.16 28.25 3fwa h TRP 266 CO 0.07 0.04 0.15 -0.56 -2.79 0.00 0.00 178.44 175.36 3fwa h GLN 267 N 0.49 0.47 0.04 2.65 3.07 -1.54 0.84 115.11 121.13 3fwa h GLN 267 Ca 0.53 -0.05 -0.11 0.00 0.09 0.00 0.00 58.65 59.11 3fwa h GLN 267 Cb 0.93 -0.09 0.01 0.00 0.08 0.00 0.00 27.48 28.41 3fwa h GLN 267 CO -0.47 0.38 -0.47 0.74 0.09 0.00 0.00 178.83 179.10 3fwa h PHE 268 N 0.47 0.41 -0.42 0.06 0.04 -1.42 -2.92 116.94 113.15 3fwa h PHE 268 Ca 0.12 -0.25 0.07 0.00 2.80 0.00 0.00 57.97 60.72 3fwa h PHE 268 Cb 0.07 -0.04 -0.06 0.00 2.20 0.00 0.00 35.95 38.12 3fwa h PHE 268 CO 0.00 1.10 0.05 0.28 -0.60 0.00 0.00 178.31 179.15 3fwa h VAL 269 N -0.41 0.74 0.45 -0.55 2.07 -1.00 -2.24 116.25 115.31 3fwa h VAL 269 Ca -0.07 -0.06 -0.02 0.00 0.82 0.00 0.00 66.70 67.37 3fwa h VAL 269 Cb 1.26 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 31.59 3fwa h VAL 269 CO 0.09 0.03 -0.22 0.00 0.02 0.00 0.00 177.57 177.50 3fwa h ALA 270 N 1.34 -0.60 -0.11 1.67 0.00 -0.90 -1.22 119.26 119.43 3fwa h ALA 270 Ca 0.21 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 3fwa h ALA 270 Cb 0.27 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 3fwa h ALA 270 CO -0.30 -0.80 -0.28 1.49 0.00 0.00 0.00 179.25 179.35 3fwa h GLU 271 N -0.68 0.20 0.00 0.00 4.81 -1.51 -3.18 114.58 114.23 3fwa h GLU 271 Ca -0.06 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.10 3fwa h GLU 271 Cb 0.50 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.87 3fwa h GLU 271 CO 0.10 0.48 -0.74 0.93 -0.73 0.00 0.00 179.01 179.05 3fwa h GLU 272 N 0.18 0.00 -6.62 1.92 5.08 -1.32 -3.40 114.58 110.43 3fwa h GLU 272 Ca 0.03 0.00 -0.58 0.00 -1.00 0.00 0.00 59.36 57.81 3fwa h GLU 272 Cb 0.60 0.00 0.16 0.00 0.50 0.00 0.00 28.75 30.01 3fwa h GLU 272 CO 0.04 0.00 -0.11 1.28 -1.00 0.00 0.00 179.01 179.22 3fwa n LEU 273 N -2.52 2.00 -4.67 1.33 4.77 -0.47 -4.94 117.00 112.51 3fwa n LEU 273 Ca 0.02 0.84 -0.32 0.00 -0.03 0.00 0.00 56.01 56.52 3fwa n LEU 273 Cb 0.51 -1.27 0.16 0.00 -2.33 0.00 0.00 43.42 40.48 3fwa n LEU 273 CO 0.38 -2.32 0.68 -0.62 -1.33 0.00 0.00 177.39 174.18 3fwa n GLU 274 N -0.24 -0.27 0.31 3.23 1.02 -1.26 -4.70 120.64 118.74 3fwa n GLU 274 Ca 0.12 -0.01 0.19 0.00 -0.02 0.00 0.00 57.16 57.44 3fwa n GLU 274 Cb 0.45 -2.38 1.03 0.00 -0.02 0.00 0.00 31.44 30.52 3fwa n GLU 274 CO 0.00 0.00 0.00 1.05 1.18 0.00 0.00 177.13 179.36 3fwa h GLU 275 N -1.60 0.00 -0.00 3.49 4.11 -1.92 -1.53 114.58 117.13 3fwa h GLU 275 Ca -0.44 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.99 3fwa h GLU 275 Cb 1.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.53 3fwa h GLU 275 CO 0.42 0.02 0.00 -0.25 0.07 0.00 0.00 179.01 179.27 3fwa n ASP 276 N -3.33 0.03 -4.14 3.06 8.00 -1.26 -3.82 116.55 115.10 3fwa n ASP 276 Ca -0.02 -1.56 -0.21 0.00 0.71 0.00 0.00 54.79 53.70 3fwa n ASP 276 Cb 0.12 -0.00 -0.14 0.00 -0.02 0.00 0.00 41.12 41.08 3fwa n ASP 276 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3fwa s PHE 277 N -1.99 1.27 -0.03 1.24 0.08 -0.58 -0.98 117.98 116.99 3fwa s PHE 277 Ca 0.21 -0.32 0.01 0.00 0.12 0.00 0.00 56.93 56.96 3fwa s PHE 277 Cb 0.10 -0.78 0.01 0.00 -0.57 0.00 0.00 43.02 41.79 3fwa s PHE 277 CO 0.17 0.02 -0.05 0.99 -0.10 0.00 0.00 175.22 176.25 3fwa s THR 278 N -0.68 0.48 -0.18 0.64 2.01 -0.13 -4.78 115.64 113.01 3fwa s THR 278 Ca 0.03 -0.14 -0.00 0.00 0.31 0.00 0.00 61.69 61.89 3fwa s THR 278 Cb -0.07 -0.48 0.04 0.00 0.01 0.00 0.00 72.50 72.00 3fwa s THR 278 CO 0.01 0.19 -0.06 -0.22 -0.69 0.00 0.00 174.62 173.84 3fwa s LEU 279 N 0.58 1.85 0.36 4.42 2.96 -1.26 -1.07 118.68 126.52 3fwa s LEU 279 Ca -0.07 -0.76 0.09 0.00 -0.22 0.00 0.00 54.13 53.16 3fwa s LEU 279 Cb -0.11 -1.01 -0.07 0.00 0.50 0.00 0.00 46.19 45.51 3fwa s LEU 279 CO -0.00 -0.18 -0.04 -0.94 -1.32 0.00 0.00 176.35 173.87 3fwa s SER 280 N 1.56 3.89 -0.00 3.68 1.04 0.16 -4.56 113.70 119.47 3fwa s SER 280 Ca -0.00 -1.20 0.01 0.00 0.48 0.00 0.00 55.95 55.24 3fwa s SER 280 Cb -0.16 -0.40 -0.00 0.00 0.10 0.00 0.00 66.02 65.56 3fwa s SER 280 CO -0.08 -0.29 -0.03 -0.69 0.98 0.00 0.00 173.24 173.14 3fwa s VAL 281 N -2.62 0.20 -0.04 5.02 1.01 -0.70 -0.76 120.40 122.53 3fwa s VAL 281 Ca 0.34 -0.11 0.03 0.00 0.00 0.00 0.00 61.98 62.25 3fwa s VAL 281 Cb 0.04 -0.18 -0.03 0.00 0.00 0.00 0.00 36.38 36.21 3fwa s VAL 281 CO 0.18 0.06 -0.13 -0.76 0.00 0.00 0.00 175.10 174.45 3fwa s LEU 282 N -0.04 2.85 0.01 3.92 1.43 -0.28 -0.30 118.68 126.26 3fwa s LEU 282 Ca 0.01 -0.19 -0.05 0.00 -1.03 0.00 0.00 54.13 52.87 3fwa s LEU 282 Cb -0.01 -1.61 -0.01 0.00 0.03 0.00 0.00 46.19 44.60 3fwa s LEU 282 CO -0.00 0.33 0.09 -0.83 0.23 0.00 0.00 176.35 176.17 3fwa s GLY 283 N -0.91 0.11 0.31 -3.19 0.00 -0.39 0.17 107.32 103.43 3fwa s GLY 283 Ca 0.13 -0.30 -0.18 0.00 0.00 0.00 0.00 44.72 44.36 3fwa s GLY 283 CO 0.02 -0.42 0.90 -0.32 0.00 0.00 0.00 173.10 173.27 3fwa s GLY 284 N -1.49 0.30 0.28 0.20 0.00 -0.64 -1.07 107.32 104.92 3fwa s GLY 284 Ca -0.14 -0.63 -0.21 0.00 0.00 0.00 0.00 44.72 43.74 3fwa s GLY 284 CO 0.00 0.89 0.76 0.00 0.00 0.00 0.00 173.10 174.75 3fwa s ALA 285 N -2.13 -1.20 -0.29 3.20 0.00 -1.26 -1.01 121.76 119.08 3fwa s ALA 285 Ca 0.19 -0.33 0.02 0.00 0.00 0.00 0.00 51.96 51.83 3fwa s ALA 285 Cb -0.04 0.80 0.18 0.00 0.00 0.00 0.00 23.12 24.07 3fwa s ALA 285 CO 0.09 -1.03 0.54 0.34 0.00 0.00 0.00 175.76 175.70 3fwa s ASP 286 N -2.95 -1.04 1.34 0.00 -1.08 0.26 -4.09 116.67 109.11 3fwa s ASP 286 Ca 0.12 0.33 0.00 0.00 -0.52 0.00 0.00 52.55 52.48 3fwa s ASP 286 Cb -0.05 1.84 0.00 0.00 -1.46 0.00 0.00 42.92 43.24 3fwa s ASP 286 CO 0.07 -0.30 0.00 -0.62 0.52 0.00 0.00 175.17 174.85 3fwa n GLU 287 N 5.41 0.00 0.05 4.34 1.02 -0.22 -1.74 120.64 129.51 3fwa n GLU 287 Ca 0.01 0.00 0.13 0.00 -0.02 0.00 0.00 57.16 57.28 3fwa n GLU 287 Cb 0.52 0.00 0.49 0.00 -0.02 0.00 0.00 31.44 32.43 3fwa n GLU 287 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3fwa n LYS 288 N 14.00 0.12 -3.25 3.49 5.02 -1.26 -4.73 118.16 131.55 3fwa n LYS 288 Ca 0.00 0.15 -0.41 0.00 -2.02 0.00 0.00 58.31 56.03 3fwa n LYS 288 Cb 0.00 -1.65 -0.08 0.00 -0.02 0.00 0.00 35.03 33.28 3fwa n LYS 288 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 3fwa s GLN 289 N -3.07 3.71 -0.09 1.97 -0.21 -0.71 -4.47 119.66 116.79 3fwa s GLN 289 Ca 0.11 -0.07 -0.01 0.00 0.02 0.00 0.00 55.36 55.41 3fwa s GLN 289 Cb 0.15 -3.78 -0.03 0.00 1.00 0.00 0.00 33.01 30.35 3fwa s GLN 289 CO 0.52 -0.58 -0.02 0.08 -2.12 0.00 0.00 175.29 173.17 3fwa s VAL 290 N 2.37 4.11 -0.09 1.09 1.01 -0.32 -0.57 120.40 128.01 3fwa s VAL 290 Ca 0.19 -0.32 0.05 0.00 0.00 0.00 0.00 61.98 61.90 3fwa s VAL 290 Cb -0.15 -2.73 -0.00 0.00 0.00 0.00 0.00 36.38 33.50 3fwa s VAL 290 CO 0.12 0.59 -0.24 -1.66 0.00 0.00 0.00 175.10 173.91 3fwa s TRP 291 N -0.72 2.51 -0.15 5.22 1.48 -0.18 -1.33 118.94 125.76 3fwa s TRP 291 Ca 0.11 -0.95 0.00 0.00 -1.06 0.00 0.00 56.10 54.20 3fwa s TRP 291 Cb -0.12 -1.67 0.02 0.00 -1.16 0.00 0.00 33.47 30.55 3fwa s TRP 291 CO 0.02 -0.36 -0.12 -0.51 -4.06 0.00 0.00 176.95 171.92 3fwa s LEU 292 N 0.20 1.65 -0.35 -4.66 1.43 -0.46 -1.62 118.68 114.87 3fwa s LEU 292 Ca -0.15 -0.49 -0.14 0.00 -1.03 0.00 0.00 54.13 52.32 3fwa s LEU 292 Cb -0.17 -1.12 -0.01 0.00 0.03 0.00 0.00 46.19 44.93 3fwa s LEU 292 CO 0.07 -0.08 0.29 -0.89 0.23 0.00 0.00 176.35 175.97 3fwa s THR 293 N 1.52 5.25 -0.19 5.49 2.01 0.13 -0.02 115.64 129.82 3fwa s THR 293 Ca 0.04 -0.23 -0.18 0.00 0.31 0.00 0.00 61.69 61.63 3fwa s THR 293 Cb -0.13 -3.79 -0.03 0.00 0.01 0.00 0.00 72.50 68.56 3fwa s THR 293 CO -0.10 -0.09 0.52 -0.04 -0.69 0.00 0.00 174.62 174.21 3fwa s MET 294 N 1.80 4.20 -0.24 4.92 1.00 0.82 -1.12 119.30 130.68 3fwa s MET 294 Ca 0.08 0.42 -0.04 0.00 0.00 0.00 0.00 55.69 56.14 3fwa s MET 294 Cb -0.17 -3.55 0.01 0.00 0.00 0.00 0.00 34.83 31.11 3fwa s MET 294 CO 0.11 -0.12 -0.02 -0.51 0.00 0.00 0.00 175.02 174.47 3fwa s LEU 295 N 1.55 3.17 0.03 -0.03 1.43 0.07 -1.41 118.68 123.48 3fwa s LEU 295 Ca 0.24 -0.60 0.08 0.00 -1.03 0.00 0.00 54.13 52.83 3fwa s LEU 295 Cb -0.15 -1.74 -0.03 0.00 0.03 0.00 0.00 46.19 44.29 3fwa s LEU 295 CO 0.10 -0.09 -0.25 -0.83 0.23 0.00 0.00 176.35 175.51 3fwa s GLY 296 N 1.44 1.41 -0.02 -3.19 0.00 -0.07 -0.66 107.32 106.23 3fwa s GLY 296 Ca 0.03 -1.22 -0.00 0.00 0.00 0.00 0.00 44.72 43.53 3fwa s GLY 296 CO -0.03 -1.09 0.04 -0.12 0.00 0.00 0.00 173.10 171.91 3fwa s PHE 297 N -0.78 -0.00 -0.04 1.90 5.36 -0.23 -1.80 117.98 122.38 3fwa s PHE 297 Ca 0.12 0.17 0.02 0.00 -0.96 0.00 0.00 56.93 56.28 3fwa s PHE 297 Cb -0.10 -0.19 0.01 0.00 -0.34 0.00 0.00 43.02 42.40 3fwa s PHE 297 CO 0.02 -0.09 -0.09 -1.58 -1.46 0.00 0.00 175.22 172.02 3fwa s HIS 298 N 0.95 1.06 -1.05 10.12 5.65 0.58 -0.96 115.29 131.64 3fwa s HIS 298 Ca -0.08 -0.32 -0.07 0.00 0.25 0.00 0.00 55.06 54.85 3fwa s HIS 298 Cb -0.11 -0.80 -0.06 0.00 -1.18 0.00 0.00 32.58 30.43 3fwa s HIS 298 CO -0.03 -0.17 2.27 0.34 -0.65 0.00 0.00 174.74 176.50 3fwa n PHE 299 N 3.63 1.57 -3.63 3.88 7.35 -0.15 -1.62 117.46 128.49 3fwa n PHE 299 Ca -0.22 -2.18 0.00 0.00 -0.76 0.00 0.00 57.45 54.29 3fwa n PHE 299 Cb 0.53 -1.83 0.00 0.00 0.35 0.00 0.00 39.48 38.53 3fwa n PHE 299 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3fwa n GLY 300 N 3.74 -0.93 3.94 7.13 0.00 -1.26 -4.90 105.19 112.92 3fwa n GLY 300 Ca 0.51 -1.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.29 3fwa n GLY 300 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fwa s LEU 301 N 0.00 3.20 0.39 0.99 1.43 -1.26 -2.12 118.68 121.30 3fwa s LEU 301 Ca 0.00 0.37 0.20 0.00 -1.03 0.00 0.00 54.13 53.67 3fwa s LEU 301 Cb 0.00 -3.17 0.67 0.00 0.03 0.00 0.00 46.19 43.72 3fwa s LEU 301 CO 0.00 -1.18 1.72 0.07 0.23 0.00 0.00 176.35 177.19 3fwa h LYS 302 N -0.13 0.00 -0.31 1.70 2.10 -1.94 -2.49 116.57 115.49 3fwa h LYS 302 Ca -0.44 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.19 3fwa h LYS 302 Cb 1.28 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.60 3fwa h LYS 302 CO 0.58 0.33 0.12 1.15 -2.00 0.00 0.00 179.45 179.63 3fwa h THR 303 N 0.00 1.18 -0.40 0.07 2.02 -1.99 -0.30 112.91 113.50 3fwa h THR 303 Ca -0.00 -0.56 -0.10 0.00 0.77 0.00 0.00 66.41 66.51 3fwa h THR 303 Cb 0.92 0.98 -0.01 0.00 -1.74 0.00 0.00 68.15 68.30 3fwa h THR 303 CO 0.04 0.20 -0.14 0.58 0.37 0.00 0.00 175.52 176.56 3fwa h VAL 304 N 0.35 1.28 -0.29 3.16 2.07 -1.94 -1.76 116.25 119.13 3fwa h VAL 304 Ca 0.10 -1.26 0.02 0.00 0.82 0.00 0.00 66.70 66.39 3fwa h VAL 304 Cb 0.19 1.25 -0.03 0.00 -1.52 0.00 0.00 31.29 31.19 3fwa h VAL 304 CO -0.01 0.42 0.13 0.00 0.02 0.00 0.00 177.57 178.13 3fwa h ALA 305 N 0.83 0.34 -0.25 1.67 0.00 -1.28 -1.52 119.26 119.05 3fwa h ALA 305 Ca 0.10 0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.84 3fwa h ALA 305 Cb 0.69 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 3fwa h ALA 305 CO 0.05 -0.27 -0.56 -0.22 0.00 0.00 0.00 179.25 178.26 3fwa h LYS 306 N 0.28 0.76 -0.87 0.00 3.64 -1.03 -2.21 116.57 117.13 3fwa h LYS 306 Ca 0.12 -0.49 0.05 0.00 -1.27 0.00 0.00 60.65 59.06 3fwa h LYS 306 Cb 0.06 0.06 -0.06 0.00 -0.41 0.00 0.00 32.23 31.88 3fwa h LYS 306 CO -0.10 1.11 0.55 0.77 -2.27 0.00 0.00 179.45 179.52 3fwa h SER 307 N 0.58 0.89 -0.21 4.20 0.02 -1.17 0.23 113.55 118.09 3fwa h SER 307 Ca 0.01 0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 60.93 3fwa h SER 307 Cb 1.14 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 63.49 3fwa h SER 307 CO 0.12 0.59 0.00 0.74 -1.14 0.00 0.00 176.83 177.14 3fwa h THR 308 N 1.04 1.25 0.00 -2.27 2.02 -1.05 -2.28 112.91 111.61 3fwa h THR 308 Ca 0.37 -0.87 -0.15 0.00 0.77 0.00 0.00 66.41 66.52 3fwa h THR 308 Cb 0.10 1.42 -0.02 0.00 -1.74 0.00 0.00 68.15 67.90 3fwa h THR 308 CO -0.15 0.27 -0.71 -0.26 0.37 0.00 0.00 175.52 175.04 3fwa h PHE 309 N 0.13 0.00 -0.97 3.16 0.04 -1.18 -0.76 116.94 117.35 3fwa h PHE 309 Ca 0.06 0.00 0.02 0.00 2.80 0.00 0.00 57.97 60.85 3fwa h PHE 309 Cb 0.39 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 38.49 3fwa h PHE 309 CO 0.03 0.71 0.64 -0.44 -0.60 0.00 0.00 178.31 178.66 3fwa h ASP 310 N 0.00 1.10 -0.01 2.17 3.32 -0.51 0.88 116.42 123.37 3fwa h ASP 310 Ca -0.01 -0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.00 3fwa h ASP 310 Cb 1.33 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 40.61 3fwa h ASP 310 CO 0.09 0.78 -0.06 0.25 -1.72 0.00 0.00 179.24 178.59 3fwa h LEU 311 N 1.29 0.07 0.00 1.55 5.85 -1.21 -3.30 115.31 119.56 3fwa h LEU 311 Ca 0.37 -0.68 -0.17 0.00 0.84 0.00 0.00 57.88 58.24 3fwa h LEU 311 Cb -0.11 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 40.87 3fwa h LEU 311 CO -0.09 0.74 -1.38 -0.07 -0.34 0.00 0.00 178.44 177.29 3fwa h LEU 312 N -0.58 0.00 -5.46 2.25 3.38 -1.08 -3.41 115.31 110.41 3fwa h LEU 312 Ca -0.00 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.60 3fwa h LEU 312 Cb 0.74 0.00 -0.29 0.00 0.09 0.00 0.00 40.66 41.19 3fwa h LEU 312 CO 0.01 0.61 -0.87 0.33 0.09 0.00 0.00 178.44 178.61 3fwa n PHE 313 N -2.92 -0.98 0.31 1.13 -0.00 0.29 -4.94 117.46 110.35 3fwa n PHE 313 Ca -0.09 -2.96 0.20 0.00 -0.00 0.00 0.00 57.45 54.60 3fwa n PHE 313 Cb 0.85 0.46 0.97 0.00 -0.00 0.00 0.00 39.48 41.77 3fwa n PHE 313 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.76 175.76 3fwa h PRO 314 N 2.91 0.00 0.00 -7.13 0.13 -1.61 -2.35 132.00 123.96 3fwa h PRO 314 Ca -0.02 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.10 3fwa h PRO 314 Cb 1.07 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.20 3fwa h PRO 314 CO 0.32 0.00 -0.00 0.93 -0.23 0.00 0.00 178.00 179.02 3fwa h GLU 315 N 0.00 0.00 0.00 0.86 3.07 -1.91 -1.68 114.58 114.92 3fwa h GLU 315 Ca 0.00 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 58.83 3fwa h GLU 315 Cb 0.24 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.14 3fwa h GLU 315 CO 0.00 0.00 -0.16 -0.07 -1.40 0.00 0.00 179.01 177.39 3fwa h LEU 316 N 0.00 0.00 1.58 1.33 3.38 -1.79 -3.47 115.31 116.34 3fwa h LEU 316 Ca -0.00 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.65 3fwa h LEU 316 Cb 0.09 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.86 3fwa h LEU 316 CO 0.00 0.16 -0.44 0.61 0.09 0.00 0.00 178.44 178.85 3fwa n GLY 317 N -0.41 -0.28 3.77 0.83 0.00 -0.63 -4.97 105.19 103.49 3fwa n GLY 317 Ca -0.01 -0.14 -0.40 0.00 0.00 0.00 0.00 46.02 45.46 3fwa n GLY 317 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fwa s LEU 318 N -4.96 4.45 0.37 0.99 1.43 -1.26 -5.05 118.68 114.65 3fwa s LEU 318 Ca 0.11 2.49 0.08 0.00 -1.03 0.00 0.00 54.13 55.78 3fwa s LEU 318 Cb -0.05 -3.69 -0.05 0.00 0.03 0.00 0.00 46.19 42.44 3fwa s LEU 318 CO 0.13 -0.40 0.14 0.68 0.23 0.00 0.00 176.35 177.13 3fwa s VAL 319 N -1.18 2.66 0.29 -1.59 -7.23 -1.26 -5.02 120.40 107.07 3fwa s VAL 319 Ca 0.48 -1.73 0.04 0.00 -1.81 0.00 0.00 61.98 58.96 3fwa s VAL 319 Cb -0.36 -2.95 0.29 0.00 0.56 0.00 0.00 36.38 33.92 3fwa s VAL 319 CO 0.47 -0.11 1.77 -0.33 -0.31 0.00 0.00 175.10 176.59 3fwa h GLU 320 N 1.53 0.72 0.00 4.82 5.08 -1.96 0.14 114.58 124.91 3fwa h GLU 320 Ca -0.43 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 3fwa h GLU 320 Cb 1.25 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.34 3fwa h GLU 320 CO 0.66 0.47 0.00 0.39 -1.00 0.00 0.00 179.01 179.54 3fwa n GLU 321 N -4.79 0.07 0.15 2.33 4.71 -1.26 -1.92 120.64 119.93 3fwa n GLU 321 Ca 0.22 0.30 0.02 0.00 -0.01 0.00 0.00 57.16 57.68 3fwa n GLU 321 Cb 0.54 -1.64 0.15 0.00 -1.01 0.00 0.00 31.44 29.48 3fwa n GLU 321 CO 0.00 0.00 0.00 -0.44 0.09 0.00 0.00 177.13 176.78 3fwa h ASP 322 N 0.00 0.00 -3.35 1.62 3.32 -1.36 -3.44 116.42 113.22 3fwa h ASP 322 Ca 0.00 0.00 -0.59 0.00 0.02 0.00 0.00 57.03 56.46 3fwa h ASP 322 Cb 0.31 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 39.78 3fwa h ASP 322 CO 0.00 0.55 0.29 -0.31 -1.72 0.00 0.00 179.24 178.05 3fwa s TYR 323 N -3.27 3.39 -0.11 4.55 2.02 -0.81 -4.45 117.35 118.67 3fwa s TYR 323 Ca 0.01 1.12 0.02 0.00 -0.37 0.00 0.00 57.07 57.84 3fwa s TYR 323 Cb 0.10 -2.93 -0.01 0.00 -0.40 0.00 0.00 41.96 38.72 3fwa s TYR 323 CO 0.74 -0.23 -0.18 -0.51 -1.57 0.00 0.00 175.55 173.81 3fwa s LEU 324 N 2.10 2.47 -0.18 -1.29 1.43 -0.22 -4.97 118.68 118.02 3fwa s LEU 324 Ca 0.34 -0.41 -0.12 0.00 -1.03 0.00 0.00 54.13 52.91 3fwa s LEU 324 Cb -0.16 -1.53 -0.05 0.00 0.03 0.00 0.00 46.19 44.48 3fwa s LEU 324 CO 0.11 0.17 0.22 -1.61 0.23 0.00 0.00 176.35 175.48 3fwa s GLU 325 N 0.29 4.22 0.32 1.70 2.02 -1.26 -1.02 118.70 124.97 3fwa s GLU 325 Ca -0.13 -0.05 -0.16 0.00 0.02 0.00 0.00 54.97 54.65 3fwa s GLU 325 Cb -0.16 -3.44 0.03 0.00 0.10 0.00 0.00 34.13 30.66 3fwa s GLU 325 CO 0.07 0.24 0.69 0.00 0.02 0.00 0.00 175.26 176.27 3fwa s MET 326 N 0.51 1.93 0.89 1.61 0.23 -0.40 -4.95 119.30 119.12 3fwa s MET 326 Ca 0.13 -1.26 -0.12 0.00 -1.03 0.00 0.00 55.69 53.41 3fwa s MET 326 Cb -0.12 0.58 0.13 0.00 -1.53 0.00 0.00 34.83 33.89 3fwa s MET 326 CO 0.02 -0.88 1.10 -1.54 -2.03 0.00 0.00 175.02 171.69 3fwa s SER 327 N -3.02 3.57 0.17 -1.18 1.04 -1.26 -0.15 113.70 112.87 3fwa s SER 327 Ca 0.16 1.33 -0.15 0.00 0.48 0.00 0.00 55.95 57.77 3fwa s SER 327 Cb -0.04 -2.00 0.06 0.00 0.10 0.00 0.00 66.02 64.13 3fwa s SER 327 CO 0.10 -2.55 1.81 -0.25 0.98 0.00 0.00 173.24 173.33 3fwa h TRP 328 N -1.49 0.52 -0.42 5.02 7.01 -1.79 -0.06 115.95 124.75 3fwa h TRP 328 Ca -0.50 0.02 0.01 0.00 2.11 0.00 0.00 58.89 60.53 3fwa h TRP 328 Cb 1.29 -0.17 -0.02 0.00 -2.10 0.00 0.00 29.16 28.16 3fwa h TRP 328 CO 0.39 0.31 0.27 0.78 -2.79 0.00 0.00 178.44 177.40 3fwa h GLY 329 N 0.56 0.59 0.67 2.65 0.00 -1.92 -1.55 103.07 104.07 3fwa h GLY 329 Ca 0.18 -0.21 0.07 0.00 0.00 0.00 0.00 47.33 47.37 3fwa h GLY 329 CO -0.07 0.20 0.45 0.83 0.00 0.00 0.00 176.54 177.94 3fwa h GLU 330 N 0.54 0.79 -0.66 4.80 5.08 -1.87 -2.08 114.58 121.18 3fwa h GLU 330 Ca 0.16 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.44 3fwa h GLU 330 Cb -0.04 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.00 3fwa h GLU 330 CO -0.05 0.52 0.30 0.66 -1.00 0.00 0.00 179.01 179.44 3fwa h SER 331 N 0.81 0.85 0.24 1.42 4.64 -0.14 0.80 113.55 122.17 3fwa h SER 331 Ca 0.34 -0.10 -0.23 0.00 -0.47 0.00 0.00 61.79 61.34 3fwa h SER 331 Cb 0.21 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 62.08 3fwa h SER 331 CO -0.19 0.73 -0.91 -0.26 -0.87 0.00 0.00 176.83 175.33 3fwa h PHE 332 N 0.93 0.70 -0.73 4.77 -1.00 -0.96 -0.18 116.94 120.48 3fwa h PHE 332 Ca 0.23 -0.37 -0.05 0.00 2.81 0.00 0.00 57.97 60.59 3fwa h PHE 332 Cb 0.12 -0.09 -0.03 0.00 3.61 0.00 0.00 35.95 39.56 3fwa h PHE 332 CO 0.01 1.18 0.26 0.00 -1.61 0.00 0.00 178.31 178.15 3fwa h ALA 333 N 0.70 0.95 -0.12 2.45 0.00 -1.16 -2.60 119.26 119.49 3fwa h ALA 333 Ca -0.08 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 3fwa h ALA 333 Cb 1.54 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 19.04 3fwa h ALA 333 CO 0.16 0.60 0.02 -0.92 0.00 0.00 0.00 179.25 179.12 3fwa h TYR 334 N 1.06 0.21 0.00 0.00 3.20 -0.62 -1.25 116.97 119.57 3fwa h TYR 334 Ca 0.24 -0.03 -0.04 0.00 3.14 0.00 0.00 58.73 62.04 3fwa h TYR 334 Cb 0.26 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.47 3fwa h TYR 334 CO 0.02 0.39 -0.19 -0.07 -1.64 0.00 0.00 178.16 176.67 3fwa h LEU 335 N -0.03 0.00 -0.04 2.82 3.38 -1.05 -1.27 115.31 119.12 3fwa h LEU 335 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3fwa h LEU 335 Cb 0.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.05 3fwa h LEU 335 CO 0.00 0.19 -0.02 0.00 0.09 0.00 0.00 178.44 178.71 3fwa n ALA 336 N -2.35 2.56 -1.03 1.53 0.00 -0.98 -4.91 120.51 115.33 3fwa n ALA 336 Ca -0.02 -0.17 -0.01 0.00 0.00 0.00 0.00 53.44 53.24 3fwa n ALA 336 Cb 0.29 -1.47 -0.00 0.00 0.00 0.00 0.00 19.45 18.27 3fwa n ALA 336 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fwa n GLY 337 N 1.24 0.48 3.84 0.00 0.00 -0.48 -5.01 105.19 105.27 3fwa n GLY 337 Ca 0.16 -0.69 -0.31 0.00 0.00 0.00 0.00 46.02 45.18 3fwa n GLY 337 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fwa s LEU 338 N -0.21 3.30 0.13 0.99 1.43 -0.50 -4.99 118.68 118.83 3fwa s LEU 338 Ca 0.00 1.55 -0.01 0.00 -1.03 0.00 0.00 54.13 54.64 3fwa s LEU 338 Cb 0.00 -4.49 -0.11 0.00 0.03 0.00 0.00 46.19 41.61 3fwa s LEU 338 CO 0.00 -1.01 1.29 -0.33 0.23 0.00 0.00 176.35 176.53 3fwa h GLU 339 N -0.12 0.25 -3.50 1.70 4.39 -1.96 -3.42 114.58 111.92 3fwa h GLU 339 Ca -0.45 -0.32 -0.07 0.00 0.34 0.00 0.00 59.36 58.86 3fwa h GLU 339 Cb 1.20 0.10 -0.14 0.00 -0.10 0.00 0.00 28.75 29.80 3fwa h GLU 339 CO 0.60 1.06 -0.22 0.95 -1.16 0.00 0.00 179.01 180.24 3fwa s THR 340 N -3.04 0.10 0.30 1.13 -4.23 -1.26 -5.03 115.64 103.61 3fwa s THR 340 Ca -0.04 -0.81 0.00 0.00 -1.18 0.00 0.00 61.69 59.67 3fwa s THR 340 Cb 0.09 -1.16 0.28 0.00 1.34 0.00 0.00 72.50 73.05 3fwa s THR 340 CO 0.85 -0.45 1.93 0.58 -0.54 0.00 0.00 174.62 176.99 3fwa h VAL 341 N 2.74 1.10 -1.00 2.29 2.07 -1.92 -2.29 116.25 119.24 3fwa h VAL 341 Ca -0.33 -0.36 0.21 0.00 0.82 0.00 0.00 66.70 67.05 3fwa h VAL 341 Cb 1.22 -0.03 -0.10 0.00 -1.52 0.00 0.00 31.29 30.86 3fwa h VAL 341 CO 0.50 0.19 0.62 0.28 0.02 0.00 0.00 177.57 179.17 3fwa h SER 342 N 1.04 0.66 0.41 0.57 0.02 -1.98 -0.55 113.55 113.72 3fwa h SER 342 Ca 0.37 0.10 -0.01 0.00 -0.84 0.00 0.00 61.79 61.41 3fwa h SER 342 Cb 0.13 -0.02 -0.00 0.00 0.14 0.00 0.00 62.40 62.65 3fwa h SER 342 CO -0.13 0.20 -0.02 1.56 -1.14 0.00 0.00 176.83 177.30 3fwa h GLN 343 N 0.63 0.00 -0.59 3.45 4.20 -1.82 -1.45 115.11 119.52 3fwa h GLN 343 Ca 0.58 0.00 0.12 0.00 0.06 0.00 0.00 58.65 59.41 3fwa h GLN 343 Cb 1.10 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.84 3fwa h GLN 343 CO -0.36 0.02 0.40 -0.07 -0.67 0.00 0.00 178.83 178.16 3fwa h LEU 344 N 0.00 0.26 -1.07 1.46 3.38 -1.21 -2.46 115.31 115.67 3fwa h LEU 344 Ca -0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3fwa h LEU 344 Cb 0.24 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.94 3fwa h LEU 344 CO 0.00 0.15 0.00 -3.20 0.09 0.00 0.00 178.44 175.48 3fwa n ASN 345 N -4.45 1.56 -4.15 -0.43 5.15 -0.55 -2.63 115.26 109.76 3fwa n ASN 345 Ca 0.10 -1.91 -0.38 0.00 -0.60 0.00 0.00 54.58 51.79 3fwa n ASN 345 Cb 0.46 -0.17 -0.10 0.00 -0.53 0.00 0.00 39.78 39.44 3fwa n ASN 345 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 3fwa s ASN 346 N -1.14 5.46 0.40 1.20 3.84 -0.93 -4.84 114.94 118.93 3fwa s ASN 346 Ca 0.23 -2.25 0.29 0.00 0.21 0.00 0.00 52.86 51.34 3fwa s ASN 346 Cb 0.12 -1.91 1.25 0.00 -0.55 0.00 0.00 41.25 40.16 3fwa s ASN 346 CO 0.17 -0.54 1.86 0.08 -2.79 0.00 0.00 177.10 175.87 3fwa h ARG 347 N 7.88 0.00 -0.43 0.43 0.11 -1.86 -2.70 114.38 117.81 3fwa h ARG 347 Ca -0.11 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.97 3fwa h ARG 347 Cb 1.03 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.11 3fwa h ARG 347 CO 0.75 0.00 0.00 1.19 0.10 0.00 0.00 179.97 182.01 3fwa n PHE 348 N -2.62 0.81 -2.40 4.08 3.72 -1.26 -4.83 117.46 114.96 3fwa n PHE 348 Ca 0.01 -0.59 -0.42 0.00 -0.05 0.00 0.00 57.45 56.40 3fwa n PHE 348 Cb 0.23 -0.12 -0.03 0.00 -0.94 0.00 0.00 39.48 38.63 3fwa n PHE 348 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 3fwa s LEU 349 N -1.51 3.43 0.11 4.37 2.96 -1.02 -4.97 118.68 122.06 3fwa s LEU 349 Ca 0.35 0.34 -0.31 0.00 -0.22 0.00 0.00 54.13 54.29 3fwa s LEU 349 Cb 0.22 -3.12 -0.09 0.00 0.50 0.00 0.00 46.19 43.70 3fwa s LEU 349 CO 0.18 -1.66 1.53 -0.54 -1.32 0.00 0.00 176.35 174.54 3fwa s LYS 350 N 5.40 4.24 0.23 1.98 -0.14 -1.26 -4.90 119.74 125.29 3fwa s LYS 350 Ca 0.53 2.25 -0.01 0.00 -1.36 0.00 0.00 55.97 57.37 3fwa s LYS 350 Cb -0.11 -3.32 0.24 0.00 -1.68 0.00 0.00 37.83 32.96 3fwa s LYS 350 CO 0.26 -0.59 1.61 0.27 -0.76 0.00 0.00 175.35 176.14 3fwa h PHE 351 N 7.26 0.69 0.00 3.18 -0.00 -1.97 -3.44 116.94 122.65 3fwa h PHE 351 Ca -0.42 -0.18 0.00 0.00 -0.00 0.00 0.00 57.97 57.36 3fwa h PHE 351 Cb 1.20 -0.15 0.00 0.00 -0.00 0.00 0.00 35.95 37.00 3fwa h PHE 351 CO 0.69 0.86 0.00 -3.47 -0.00 0.00 0.00 178.31 176.39 3fwa n ASP 352 N -4.06 -1.44 0.00 -0.68 -0.08 -1.26 -5.05 116.55 103.98 3fwa n ASP 352 Ca -0.01 0.51 0.00 0.00 -1.51 0.00 0.00 54.79 53.78 3fwa n ASP 352 Cb 0.49 1.50 0.00 0.00 2.34 0.00 0.00 41.12 45.44 3fwa n ASP 352 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 3fwa n GLU 353 N -3.23 0.00 -4.43 -0.67 -0.58 -1.26 -5.07 120.64 105.40 3fwa n GLU 353 Ca 0.00 0.33 -0.34 0.00 -0.42 0.00 0.00 57.16 56.74 3fwa n GLU 353 Cb 0.00 -2.93 -0.10 0.00 -0.57 0.00 0.00 31.44 27.84 3fwa n GLU 353 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 3fwa s ARG 354 N -1.37 2.84 0.56 3.49 0.52 -1.26 -4.90 118.95 118.83 3fwa s ARG 354 Ca 0.00 -0.52 -0.21 0.00 -0.52 0.00 0.00 55.73 54.49 3fwa s ARG 354 Cb 0.00 -2.69 -0.04 0.00 0.52 0.00 0.00 34.95 32.74 3fwa s ARG 354 CO 0.00 0.67 1.28 0.00 0.02 0.00 0.00 175.30 177.27 3fwa s ALA 355 N -0.92 2.70 0.09 2.13 0.00 -0.68 -4.39 121.76 120.69 3fwa s ALA 355 Ca 0.15 1.18 -0.16 0.00 0.00 0.00 0.00 51.96 53.13 3fwa s ALA 355 Cb -0.11 -3.51 0.03 0.00 0.00 0.00 0.00 23.12 19.53 3fwa s ALA 355 CO 0.04 -1.26 0.39 -0.59 0.00 0.00 0.00 175.76 174.35 3fwa s PHE 356 N -1.42 -0.21 0.00 0.00 -0.12 -1.26 -1.22 117.98 113.76 3fwa s PHE 356 Ca 0.74 0.01 0.04 0.00 -0.05 0.00 0.00 56.93 57.66 3fwa s PHE 356 Cb -0.36 0.22 -0.01 0.00 -0.63 0.00 0.00 43.02 42.24 3fwa s PHE 356 CO 0.41 -0.63 -0.11 0.21 -0.05 0.00 0.00 175.22 175.05 3fwa s LYS 357 N -3.21 0.87 0.02 1.99 2.47 -0.60 -4.87 119.74 116.41 3fwa s LYS 357 Ca -0.01 -0.48 0.00 0.00 -1.56 0.00 0.00 55.97 53.92 3fwa s LYS 357 Cb 0.01 -0.84 -0.02 0.00 -1.46 0.00 0.00 37.83 35.52 3fwa s LYS 357 CO -0.08 0.22 -0.02 -0.08 0.16 0.00 0.00 175.35 175.55 3fwa s THR 358 N -0.43 0.09 0.15 3.43 -1.32 -1.26 -1.39 115.64 114.91 3fwa s THR 358 Ca 0.03 -0.71 0.02 0.00 -1.21 0.00 0.00 61.69 59.83 3fwa s THR 358 Cb -0.05 -0.21 -0.05 0.00 -1.51 0.00 0.00 72.50 70.68 3fwa s THR 358 CO -0.00 -0.38 -0.03 -0.54 -2.21 0.00 0.00 174.62 171.46 3fwa s LYS 359 N -1.13 1.05 0.02 7.08 1.02 -0.35 -4.96 119.74 122.47 3fwa s LYS 359 Ca -0.12 -1.48 -0.01 0.00 0.02 0.00 0.00 55.97 54.38 3fwa s LYS 359 Cb -0.08 -0.32 -0.02 0.00 -0.52 0.00 0.00 37.83 36.89 3fwa s LYS 359 CO -0.01 -0.07 -0.01 0.54 -0.92 0.00 0.00 175.35 174.88 3fwa s VAL 360 N -3.59 0.11 0.10 3.17 0.11 -1.26 -0.79 120.40 118.26 3fwa s VAL 360 Ca 0.20 -0.92 0.06 0.00 -2.93 0.00 0.00 61.98 58.39 3fwa s VAL 360 Cb 0.05 -0.32 -0.03 0.00 -1.53 0.00 0.00 36.38 34.55 3fwa s VAL 360 CO 0.02 -0.51 -0.15 -1.81 -3.33 0.00 0.00 175.10 169.32 3fwa s ASP 361 N -1.51 2.00 0.11 3.54 1.01 0.26 -4.85 116.67 117.23 3fwa s ASP 361 Ca -0.15 -0.73 0.09 0.00 0.71 0.00 0.00 52.55 52.47 3fwa s ASP 361 Cb -0.09 -0.08 -0.04 0.00 1.01 0.00 0.00 42.92 43.72 3fwa s ASP 361 CO -0.01 -0.08 -0.19 -0.76 0.21 0.00 0.00 175.17 174.34 3fwa s LEU 362 N -2.13 2.66 0.21 1.23 1.43 -1.26 -0.69 118.68 120.13 3fwa s LEU 362 Ca 0.05 -0.55 0.11 0.00 -1.03 0.00 0.00 54.13 52.72 3fwa s LEU 362 Cb -0.07 -1.52 -0.05 0.00 0.03 0.00 0.00 46.19 44.58 3fwa s LEU 362 CO 0.03 0.19 -0.23 0.42 0.23 0.00 0.00 176.35 176.99 3fwa s THR 363 N -1.10 2.41 0.00 5.49 -4.23 -0.47 -1.66 115.64 116.07 3fwa s THR 363 Ca 0.17 -2.09 0.00 0.00 -1.18 0.00 0.00 61.69 58.59 3fwa s THR 363 Cb -0.11 -2.18 0.00 0.00 1.34 0.00 0.00 72.50 71.56 3fwa s THR 363 CO 0.09 -0.17 0.00 0.29 -0.54 0.00 0.00 174.62 174.29 3fwa n LYS 364 N 0.09 1.72 -4.38 3.99 5.02 -1.26 -0.67 118.16 122.66 3fwa n LYS 364 Ca -0.11 0.00 -0.28 0.00 -2.02 0.00 0.00 58.31 55.90 3fwa n LYS 364 Cb 0.57 -0.96 -0.12 0.00 -0.02 0.00 0.00 35.03 34.50 3fwa n LYS 364 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3fwa s GLU 365 N -1.87 1.63 0.52 1.97 2.02 -1.26 -4.74 118.70 116.97 3fwa s GLU 365 Ca 0.00 -1.40 -0.22 0.00 0.02 0.00 0.00 54.97 53.37 3fwa s GLU 365 Cb 0.00 -1.95 -0.06 0.00 0.10 0.00 0.00 34.13 32.22 3fwa s GLU 365 CO 0.00 0.43 1.24 -2.30 0.02 0.00 0.00 175.26 174.65 3fwa n PRO 366 N 0.43 1.59 -2.72 0.39 -0.02 -1.26 -4.95 135.00 128.46 3fwa n PRO 366 Ca -0.14 0.58 -0.41 0.00 -2.02 0.00 0.00 63.50 61.51 3fwa n PRO 366 Cb 0.55 -2.42 -0.04 0.00 -0.02 0.00 0.00 33.50 31.57 3fwa n PRO 366 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3fwa s LEU 367 N -2.57 4.46 0.63 2.45 1.43 -1.26 -5.04 118.68 118.78 3fwa s LEU 367 Ca 0.69 1.76 -0.15 0.00 -1.03 0.00 0.00 54.13 55.40 3fwa s LEU 367 Cb -0.45 -3.58 -0.02 0.00 0.03 0.00 0.00 46.19 42.17 3fwa s LEU 367 CO 0.51 -0.13 1.08 -2.16 0.23 0.00 0.00 176.35 175.89 3fwa s PRO 368 N 0.31 3.04 0.31 1.29 0.04 -1.26 -4.92 135.00 133.80 3fwa s PRO 368 Ca 0.49 1.28 0.06 0.00 0.04 0.00 0.00 61.00 62.87 3fwa s PRO 368 Cb -0.23 -1.99 0.76 0.00 0.04 0.00 0.00 34.50 33.09 3fwa s PRO 368 CO 0.29 -1.05 1.77 1.03 0.04 0.00 0.00 177.00 179.09 3fwa h SER 369 N 0.17 0.77 0.35 6.66 0.87 -1.96 -0.56 113.55 119.84 3fwa h SER 369 Ca -0.47 0.10 -0.01 0.00 -1.23 0.00 0.00 61.79 60.18 3fwa h SER 369 Cb 1.23 -0.03 -0.00 0.00 -0.44 0.00 0.00 62.40 63.16 3fwa h SER 369 CO 0.56 0.25 -0.07 0.07 -0.53 0.00 0.00 176.83 177.11 3fwa h LYS 370 N 0.73 0.00 -0.16 2.24 2.10 -1.98 -0.57 116.57 118.94 3fwa h LYS 370 Ca 0.59 0.00 -0.07 0.00 -2.00 0.00 0.00 60.65 59.18 3fwa h LYS 370 Cb 0.96 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.28 3fwa h LYS 370 CO -0.40 0.07 -0.16 0.00 -2.00 0.00 0.00 179.45 176.96 3fwa h ALA 371 N 1.93 0.23 -0.61 0.07 0.00 -1.46 -1.01 119.26 118.42 3fwa h ALA 371 Ca -0.00 -0.33 -0.06 0.00 0.00 0.00 0.00 54.91 54.52 3fwa h ALA 371 Cb 0.26 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 3fwa h ALA 371 CO 0.01 0.13 0.15 0.74 0.00 0.00 0.00 179.25 180.27 3fwa h PHE 372 N 0.03 1.03 -0.17 0.00 0.04 -1.37 -0.91 116.94 115.58 3fwa h PHE 372 Ca 0.02 -0.12 0.02 0.00 2.80 0.00 0.00 57.97 60.69 3fwa h PHE 372 Cb 0.70 -0.29 -0.02 0.00 2.20 0.00 0.00 35.95 38.54 3fwa h PHE 372 CO 0.08 0.87 0.06 -0.92 -0.60 0.00 0.00 178.31 177.80 3fwa h TYR 373 N 0.90 0.11 -0.39 -0.55 3.20 -1.09 -0.02 116.97 119.13 3fwa h TYR 373 Ca 0.19 0.01 -0.08 0.00 3.14 0.00 0.00 58.73 61.99 3fwa h TYR 373 Cb 0.36 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.59 3fwa h TYR 373 CO 0.03 0.05 -0.10 0.78 -1.64 0.00 0.00 178.16 177.28 3fwa h GLY 374 N 0.14 0.74 0.93 1.82 0.00 -1.09 -0.08 103.07 105.54 3fwa h GLY 374 Ca 0.07 -0.54 -0.02 0.00 0.00 0.00 0.00 47.33 46.85 3fwa h GLY 374 CO -0.08 0.50 0.13 -2.00 0.00 0.00 0.00 176.54 175.09 3fwa h LEU 375 N 0.63 0.46 -0.86 3.11 6.46 -0.85 -1.78 115.31 122.48 3fwa h LEU 375 Ca 0.11 -0.17 -0.09 0.00 -0.12 0.00 0.00 57.88 57.61 3fwa h LEU 375 Cb 0.54 -0.12 -0.02 0.00 -0.73 0.00 0.00 40.66 40.34 3fwa h LEU 375 CO 0.03 0.50 -0.17 -0.07 -0.62 0.00 0.00 178.44 178.12 3fwa h LEU 376 N 0.39 0.65 -0.57 2.25 3.38 -0.66 -1.04 115.31 119.71 3fwa h LEU 376 Ca 0.11 -0.21 0.02 0.00 0.09 0.00 0.00 57.88 57.89 3fwa h LEU 376 Cb 0.19 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 3fwa h LEU 376 CO -0.01 0.83 0.36 -0.33 0.09 0.00 0.00 178.44 179.38 3fwa h GLU 377 N 0.59 0.69 -0.47 1.13 5.08 -0.80 -0.25 114.58 120.56 3fwa h GLU 377 Ca 0.10 -0.04 -0.11 0.00 -1.00 0.00 0.00 59.36 58.30 3fwa h GLU 377 Cb 0.62 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 3fwa h GLU 377 CO 0.04 0.46 -0.15 0.00 -1.00 0.00 0.00 179.01 178.36 3fwa h ARG 378 N 0.71 0.93 -0.59 2.33 3.08 -1.03 -2.58 114.38 117.23 3fwa h ARG 378 Ca 0.22 -0.37 -0.00 0.00 0.07 0.00 0.00 59.98 59.89 3fwa h ARG 378 Cb -0.02 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 29.96 3fwa h ARG 378 CO -0.08 1.03 0.35 -0.07 -1.07 0.00 0.00 179.97 180.14 3fwa h LEU 379 N 0.77 0.70 -2.01 3.04 3.38 -0.96 -2.24 115.31 117.98 3fwa h LEU 379 Ca 0.11 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 3fwa h LEU 379 Cb 0.71 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.29 3fwa h LEU 379 CO 0.05 0.54 -0.03 0.77 0.09 0.00 0.00 178.44 179.86 3fwa h SER 380 N 0.81 0.00 0.27 -0.43 4.64 -0.64 -1.74 113.55 116.46 3fwa h SER 380 Ca 0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 3fwa h SER 380 Cb -0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.06 3fwa h SER 380 CO -0.04 0.03 -0.48 0.29 -0.87 0.00 0.00 176.83 175.76 3fwa n LYS 381 N -3.21 0.45 -3.34 4.77 5.02 -0.85 -1.05 118.16 119.95 3fwa n LYS 381 Ca -0.01 -0.30 -0.21 0.00 -2.02 0.00 0.00 58.31 55.77 3fwa n LYS 381 Cb 0.22 -1.49 -0.08 0.00 -0.02 0.00 0.00 35.03 33.66 3fwa n LYS 381 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 3fwa s GLU 382 N -2.75 0.72 0.14 1.97 2.56 -0.66 -5.00 118.70 115.68 3fwa s GLU 382 Ca 0.16 -1.29 0.15 0.00 0.00 0.00 0.00 54.97 53.99 3fwa s GLU 382 Cb 0.18 -0.96 0.68 0.00 2.00 0.00 0.00 34.13 36.03 3fwa s GLU 382 CO 0.64 -1.26 1.45 -2.30 -0.56 0.00 0.00 175.26 173.23 3fwa n PRO 383 N 3.74 0.08 0.00 4.30 -0.02 -1.25 -1.15 135.00 140.71 3fwa n PRO 383 Ca 0.16 0.46 0.14 0.00 -2.02 0.00 0.00 63.50 62.24 3fwa n PRO 383 Cb 0.45 -1.71 0.63 0.00 -0.02 0.00 0.00 33.50 32.85 3fwa n PRO 383 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3fwa n ASN 384 N -1.87 0.23 -4.90 2.55 4.13 -1.26 -4.84 115.26 109.30 3fwa n ASN 384 Ca 0.01 -0.20 -0.30 0.00 1.68 0.00 0.00 54.58 55.78 3fwa n ASN 384 Cb 0.10 -0.19 -0.04 0.00 -1.54 0.00 0.00 39.78 38.11 3fwa n ASN 384 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 3fwa s GLY 385 N -2.66 2.03 0.22 7.41 0.00 -0.30 -2.20 107.32 111.82 3fwa s GLY 385 Ca 0.24 -0.55 -0.14 0.00 0.00 0.00 0.00 44.72 44.27 3fwa s GLY 385 CO 0.50 -0.45 0.48 -0.11 0.00 0.00 0.00 173.10 173.52 3fwa s PHE 386 N -1.89 0.17 0.13 1.90 -0.12 0.02 -4.64 117.98 113.56 3fwa s PHE 386 Ca 0.43 -0.54 0.08 0.00 -0.05 0.00 0.00 56.93 56.85 3fwa s PHE 386 Cb -0.11 0.26 -0.04 0.00 -0.63 0.00 0.00 43.02 42.50 3fwa s PHE 386 CO 0.27 -0.95 -0.18 0.96 -0.05 0.00 0.00 175.22 175.27 3fwa s ILE 387 N -3.96 1.66 -0.07 -4.49 -4.36 -0.23 -0.80 121.20 108.95 3fwa s ILE 387 Ca 0.17 -1.71 0.02 0.00 -0.26 0.00 0.00 60.65 58.87 3fwa s ILE 387 Cb -0.01 -1.64 0.01 0.00 1.25 0.00 0.00 42.46 42.08 3fwa s ILE 387 CO 0.04 -0.23 -0.12 0.00 0.24 0.00 0.00 174.94 174.86 3fwa s ALA 388 N -1.69 1.28 -0.10 2.27 0.00 -0.51 -1.26 121.76 121.75 3fwa s ALA 388 Ca 0.10 -0.43 0.03 0.00 0.00 0.00 0.00 51.96 51.66 3fwa s ALA 388 Cb -0.07 -0.60 0.01 0.00 0.00 0.00 0.00 23.12 22.46 3fwa s ALA 388 CO 0.05 0.08 -0.20 -0.51 0.00 0.00 0.00 175.76 175.18 3fwa s LEU 389 N 0.73 1.93 0.00 0.00 1.43 0.58 -0.74 118.68 122.62 3fwa s LEU 389 Ca -0.13 -0.49 0.03 0.00 -1.03 0.00 0.00 54.13 52.51 3fwa s LEU 389 Cb -0.16 -1.24 -0.01 0.00 0.03 0.00 0.00 46.19 44.82 3fwa s LEU 389 CO 0.03 0.09 -0.11 0.20 0.23 0.00 0.00 176.35 176.79 3fwa s ASN 390 N 0.62 1.25 0.21 2.29 0.01 -0.52 -1.72 114.94 117.08 3fwa s ASN 390 Ca -0.14 -0.23 -0.09 0.00 -0.71 0.00 0.00 52.86 51.69 3fwa s ASN 390 Cb -0.17 -0.12 -0.07 0.00 0.41 0.00 0.00 41.25 41.30 3fwa s ASN 390 CO 0.04 0.10 0.53 -0.83 -1.51 0.00 0.00 177.10 175.43 3fwa s GLY 391 N -0.41 2.29 0.00 0.66 0.00 -1.26 -0.57 107.32 108.03 3fwa s GLY 391 Ca 0.03 -0.30 0.00 0.00 0.00 0.00 0.00 44.72 44.46 3fwa s GLY 391 CO -0.00 -0.15 0.00 0.69 0.00 0.00 0.00 173.10 173.64 3fwa n PHE 392 N -0.03 0.00 -3.89 1.90 3.01 -0.16 -4.90 117.46 113.40 3fwa n PHE 392 Ca -0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 3fwa n PHE 392 Cb 0.52 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.99 3fwa n PHE 392 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3fwa n GLY 393 N 5.00 -1.79 7.00 1.37 0.00 -1.26 -4.52 105.19 110.99 3fwa n GLY 393 Ca 0.00 -1.39 0.00 0.00 0.00 0.00 0.00 46.02 44.63 3fwa n GLY 393 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fwa n GLY 394 N 0.00 2.91 0.28 -0.02 0.00 -1.26 -1.49 105.19 105.60 3fwa n GLY 394 Ca 0.00 -0.16 0.14 0.00 0.00 0.00 0.00 46.02 46.01 3fwa n GLY 394 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3fwa h GLN 395 N 0.00 0.00 0.00 1.61 5.75 -0.88 -1.68 115.11 119.91 3fwa h GLN 395 Ca 0.00 0.00 -0.03 0.00 -0.15 0.00 0.00 58.65 58.47 3fwa h GLN 395 Cb 0.00 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 28.55 3fwa h GLN 395 CO 0.00 0.08 -0.13 0.52 -2.65 0.00 0.00 178.83 176.65 3fwa h MET 396 N 0.00 0.00 -0.00 1.69 2.86 -1.43 -1.33 114.93 116.72 3fwa h MET 396 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3fwa h MET 396 Cb 0.24 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.90 3fwa h MET 396 CO 0.01 0.13 -0.33 0.43 1.06 0.00 0.00 176.91 178.20 3fwa n SER 397 N -3.77 0.67 -0.38 1.22 7.64 -0.63 -3.49 113.62 114.89 3fwa n SER 397 Ca -0.02 -0.50 0.10 0.00 1.01 0.00 0.00 58.87 59.46 3fwa n SER 397 Cb 0.23 0.13 -0.03 0.00 -1.01 0.00 0.00 64.21 63.53 3fwa n SER 397 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3fwa n LYS 398 N -1.10 1.17 -3.62 1.43 5.02 -0.52 -4.22 118.16 116.32 3fwa n LYS 398 Ca 0.09 -0.78 -0.36 0.00 -2.02 0.00 0.00 58.31 55.25 3fwa n LYS 398 Cb 0.33 -1.43 -0.07 0.00 -0.02 0.00 0.00 35.03 33.84 3fwa n LYS 398 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3fwa s ILE 399 N -2.44 5.34 0.64 -0.18 1.01 -1.08 -5.07 121.20 119.43 3fwa s ILE 399 Ca 0.15 0.44 -0.17 0.00 0.00 0.00 0.00 60.65 61.07 3fwa s ILE 399 Cb 0.16 -3.57 -0.01 0.00 0.01 0.00 0.00 42.46 39.05 3fwa s ILE 399 CO 0.59 0.43 1.17 -0.94 0.00 0.00 0.00 174.94 176.19 3fwa s SER 400 N 0.22 4.96 0.62 3.58 1.04 -1.26 -4.49 113.70 118.38 3fwa s SER 400 Ca 0.14 2.25 0.39 0.00 0.48 0.00 0.00 55.95 59.22 3fwa s SER 400 Cb -0.13 -2.58 2.06 0.00 0.10 0.00 0.00 66.02 65.47 3fwa s SER 400 CO 0.03 -1.74 2.25 0.77 0.98 0.00 0.00 173.24 175.53 3fwa h SER 401 N 0.38 0.00 -0.20 7.02 4.64 -1.89 -2.38 113.55 121.13 3fwa h SER 401 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 3fwa h SER 401 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 3fwa h SER 401 CO 0.54 0.01 0.00 -0.90 -0.87 0.00 0.00 176.83 175.61 3fwa n ASP 402 N -3.21 2.94 -0.17 4.97 5.75 -1.26 -4.16 116.55 121.40 3fwa n ASP 402 Ca -0.02 -2.48 -0.03 0.00 -0.01 0.00 0.00 54.79 52.25 3fwa n ASP 402 Cb 0.14 -0.31 0.07 0.00 -1.03 0.00 0.00 41.12 39.99 3fwa n ASP 402 CO 0.00 0.00 0.00 0.15 -0.11 0.00 0.00 177.20 177.24 3fwa h PHE 403 N 1.22 0.34 -3.69 2.11 3.57 -1.76 -3.43 116.94 115.30 3fwa h PHE 403 Ca 0.00 0.03 -0.45 0.00 3.53 0.00 0.00 57.97 61.08 3fwa h PHE 403 Cb 0.94 -0.08 -0.14 0.00 2.79 0.00 0.00 35.95 39.47 3fwa h PHE 403 CO 0.23 0.11 -0.55 0.95 -2.23 0.00 0.00 178.31 176.82 3fwa s THR 404 N -6.12 0.41 0.50 4.41 -4.23 -1.26 -5.01 115.64 104.33 3fwa s THR 404 Ca -0.13 -2.00 0.28 0.00 -1.18 0.00 0.00 61.69 58.66 3fwa s THR 404 Cb 0.15 -2.50 0.32 0.00 1.34 0.00 0.00 72.50 71.81 3fwa s THR 404 CO 0.73 0.00 2.16 -0.65 -0.54 0.00 0.00 174.62 176.32 3fwa h PRO 405 N 2.13 0.00 -6.25 3.99 0.11 -1.76 -3.41 132.00 126.80 3fwa h PRO 405 Ca -0.34 0.00 -0.56 0.00 0.11 0.00 0.00 66.00 65.21 3fwa h PRO 405 Cb 1.25 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 3fwa h PRO 405 CO 0.53 0.07 1.16 0.12 -0.21 0.00 0.00 178.00 179.66 3fwa s PHE 406 N -4.40 1.89 -1.83 0.65 5.36 -1.26 -4.72 117.98 113.67 3fwa s PHE 406 Ca -0.04 0.32 0.23 0.00 -0.96 0.00 0.00 56.93 56.47 3fwa s PHE 406 Cb 0.14 -3.98 -0.00 0.00 -0.34 0.00 0.00 43.02 38.84 3fwa s PHE 406 CO 0.57 -3.63 1.09 -0.35 -1.46 0.00 0.00 175.22 171.43 3fwa n PRO 407 N 7.55 0.97 -2.90 10.12 -0.04 -1.26 -4.77 135.00 144.67 3fwa n PRO 407 Ca 0.19 -0.79 -0.44 0.00 -0.04 0.00 0.00 63.50 62.43 3fwa n PRO 407 Cb 0.44 -1.48 -0.01 0.00 -0.04 0.00 0.00 33.50 32.40 3fwa n PRO 407 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 3fwa s HIS 408 N -2.58 3.27 0.00 0.54 3.76 -1.26 -4.66 115.29 114.36 3fwa s HIS 408 Ca 0.17 -1.76 0.00 0.00 -0.15 0.00 0.00 55.06 53.32 3fwa s HIS 408 Cb 0.18 -4.34 0.00 0.00 1.11 0.00 0.00 32.58 29.53 3fwa s HIS 408 CO 0.62 -1.48 0.00 0.54 -0.85 0.00 0.00 174.74 173.58 3fwa n ARG 409 N 6.29 0.00 -1.64 1.40 5.12 -1.26 -4.84 116.66 121.72 3fwa n ARG 409 Ca 0.32 0.00 -0.45 0.00 -1.93 0.00 0.00 57.85 55.79 3fwa n ARG 409 Cb 0.46 0.00 -0.02 0.00 -1.16 0.00 0.00 32.46 31.73 3fwa n ARG 409 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 3fwa n SER 410 N 0.00 2.21 0.00 0.55 2.88 -1.23 -1.41 113.62 116.62 3fwa n SER 410 Ca 0.00 1.16 0.00 0.00 -1.33 0.00 0.00 58.87 58.70 3fwa n SER 410 Cb 0.00 -1.37 0.00 0.00 -0.75 0.00 0.00 64.21 62.09 3fwa n SER 410 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3fwa n GLY 411 N 1.71 3.33 3.69 0.46 0.00 -1.26 -5.04 105.19 108.08 3fwa n GLY 411 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 3fwa n GLY 411 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3fwa s THR 412 N -2.59 4.88 -0.20 2.61 2.01 -0.50 -4.48 115.64 117.37 3fwa s THR 412 Ca 0.00 1.82 -0.16 0.00 0.31 0.00 0.00 61.69 63.66 3fwa s THR 412 Cb 0.00 -4.21 -0.08 0.00 0.01 0.00 0.00 72.50 68.22 3fwa s THR 412 CO 0.00 0.09 -0.29 0.54 -0.69 0.00 0.00 174.62 174.27 3fwa n ARG 413 N 4.59 0.54 -4.19 4.92 1.74 0.15 -4.17 116.66 120.25 3fwa n ARG 413 Ca 0.05 0.30 -0.14 0.00 -0.77 0.00 0.00 57.85 57.28 3fwa n ARG 413 Cb 0.50 -1.51 -0.11 0.00 -1.02 0.00 0.00 32.46 30.32 3fwa n ARG 413 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3fwa s LEU 414 N -7.85 2.42 -0.13 0.55 1.43 -1.25 -0.99 118.68 112.87 3fwa s LEU 414 Ca -0.30 -0.85 -0.01 0.00 -1.03 0.00 0.00 54.13 51.95 3fwa s LEU 414 Cb 0.07 -0.30 -0.02 0.00 0.03 0.00 0.00 46.19 45.97 3fwa s LEU 414 CO 0.43 -0.28 -0.12 -0.32 0.23 0.00 0.00 176.35 176.29 3fwa s MET 415 N -2.95 3.43 -0.19 1.70 -2.45 0.27 -1.37 119.30 117.73 3fwa s MET 415 Ca 0.07 -0.66 0.00 0.00 -1.25 0.00 0.00 55.69 53.86 3fwa s MET 415 Cb -0.02 -2.67 0.04 0.00 1.25 0.00 0.00 34.83 33.43 3fwa s MET 415 CO -0.00 0.22 -0.08 0.08 1.05 0.00 0.00 175.02 176.29 3fwa s VAL 416 N 0.34 1.44 -0.10 10.11 1.01 0.13 -1.44 120.40 131.89 3fwa s VAL 416 Ca -0.10 -0.88 -0.03 0.00 0.00 0.00 0.00 61.98 60.97 3fwa s VAL 416 Cb -0.16 -1.56 -0.03 0.00 0.00 0.00 0.00 36.38 34.63 3fwa s VAL 416 CO 0.05 0.14 0.01 -0.70 0.00 0.00 0.00 175.10 174.60 3fwa s GLU 417 N 1.48 3.17 -0.14 2.72 2.12 0.09 -0.57 118.70 127.56 3fwa s GLU 417 Ca -0.01 -0.40 0.01 0.00 0.36 0.00 0.00 54.97 54.93 3fwa s GLU 417 Cb -0.16 -2.86 0.00 0.00 0.26 0.00 0.00 34.13 31.37 3fwa s GLU 417 CO -0.08 0.61 -0.18 0.71 -0.54 0.00 0.00 175.26 175.78 3fwa s TYR 418 N -0.63 2.72 -0.01 5.30 2.02 0.03 -1.42 117.35 125.36 3fwa s TYR 418 Ca 0.10 -1.12 0.05 0.00 -0.37 0.00 0.00 57.07 55.73 3fwa s TYR 418 Cb -0.12 -1.84 -0.01 0.00 -0.40 0.00 0.00 41.96 39.59 3fwa s TYR 418 CO 0.02 -0.50 -0.16 0.42 -1.57 0.00 0.00 175.55 173.77 3fwa s ILE 419 N 0.74 1.23 -0.05 2.71 1.09 0.02 -1.21 121.20 125.73 3fwa s ILE 419 Ca -0.08 -0.68 0.04 0.00 -1.10 0.00 0.00 60.65 58.83 3fwa s ILE 419 Cb -0.16 -1.03 -0.00 0.00 -1.06 0.00 0.00 42.46 40.21 3fwa s ILE 419 CO 0.01 0.34 -0.16 0.54 -0.10 0.00 0.00 174.94 175.56 3fwa s VAL 420 N -0.38 1.39 0.02 2.92 0.11 -0.49 -0.80 120.40 123.16 3fwa s VAL 420 Ca 0.06 -0.68 -0.00 0.00 -2.93 0.00 0.00 61.98 58.43 3fwa s VAL 420 Cb -0.06 -1.20 -0.02 0.00 -1.53 0.00 0.00 36.38 33.57 3fwa s VAL 420 CO -0.01 0.40 -0.02 0.00 -3.33 0.00 0.00 175.10 172.15 3fwa s ALA 421 N 0.17 0.09 0.07 1.54 0.00 -0.94 -1.55 121.76 121.14 3fwa s ALA 421 Ca -0.06 -0.50 -0.16 0.00 0.00 0.00 0.00 51.96 51.24 3fwa s ALA 421 Cb -0.12 0.13 0.03 0.00 0.00 0.00 0.00 23.12 23.15 3fwa s ALA 421 CO 0.03 -0.14 0.37 1.67 0.00 0.00 0.00 175.76 177.68 3fwa s TRP 422 N -1.27 -0.18 0.57 0.00 -2.14 -0.36 -4.79 118.94 110.77 3fwa s TRP 422 Ca -0.14 -0.01 0.05 0.00 2.66 0.00 0.00 56.10 58.66 3fwa s TRP 422 Cb -0.09 0.18 0.07 0.00 -3.10 0.00 0.00 33.47 30.53 3fwa s TRP 422 CO -0.01 -0.60 0.79 0.54 -2.66 0.00 0.00 176.95 175.01 3fwa s ASN 423 N -2.35 5.08 0.38 -2.66 2.20 -1.26 -1.69 114.94 114.65 3fwa s ASN 423 Ca -0.02 -0.42 0.07 0.00 -0.94 0.00 0.00 52.86 51.55 3fwa s ASN 423 Cb 0.01 -0.29 0.80 0.00 -2.00 0.00 0.00 41.25 39.77 3fwa s ASN 423 CO -0.06 -1.29 1.96 1.56 -2.94 0.00 0.00 177.10 176.33 3fwa h GLN 424 N 0.08 0.66 0.00 3.55 4.20 -2.00 -0.97 115.11 120.63 3fwa h GLN 424 Ca -0.37 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.30 3fwa h GLN 424 Cb 1.28 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 28.91 3fwa h GLN 424 CO 0.44 0.44 0.00 -1.13 -0.67 0.00 0.00 178.83 177.91 3fwa n SER 425 N -4.48 0.55 -0.89 1.46 3.41 -1.26 -2.31 113.62 110.11 3fwa n SER 425 Ca 0.10 0.66 0.07 0.00 -0.26 0.00 0.00 58.87 59.44 3fwa n SER 425 Cb 0.26 -0.76 0.22 0.00 -0.26 0.00 0.00 64.21 63.66 3fwa n SER 425 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3fwa n GLU 426 N -2.13 2.99 -0.07 4.33 1.02 -0.37 -4.70 120.64 121.71 3fwa n GLU 426 Ca 0.02 -2.38 0.13 0.00 -0.02 0.00 0.00 57.16 54.91 3fwa n GLU 426 Cb 0.19 -1.49 0.52 0.00 -0.02 0.00 0.00 31.44 30.64 3fwa n GLU 426 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 3fwa h GLN 427 N 2.48 0.34 0.00 3.49 4.20 -1.47 -0.84 115.11 123.31 3fwa h GLN 427 Ca 0.00 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.68 3fwa h GLN 427 Cb 0.99 -0.08 -0.00 0.00 0.30 0.00 0.00 27.48 28.69 3fwa h GLN 427 CO 0.07 0.23 -0.03 1.57 -0.67 0.00 0.00 178.83 180.00 3fwa h LYS 428 N 0.35 0.00 -0.14 1.46 2.10 -1.85 -1.52 116.57 116.98 3fwa h LYS 428 Ca 0.27 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.92 3fwa h LYS 428 Cb 0.60 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.93 3fwa h LYS 428 CO -0.07 0.03 0.00 1.63 -2.00 0.00 0.00 179.45 179.04 3fwa n LYS 429 N -3.60 1.74 -0.14 0.07 5.02 -0.32 -4.45 118.16 116.47 3fwa n LYS 429 Ca -0.03 -1.11 -0.05 0.00 -2.02 0.00 0.00 58.31 55.11 3fwa n LYS 429 Cb 0.13 -1.42 0.02 0.00 -0.02 0.00 0.00 35.03 33.74 3fwa n LYS 429 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 3fwa h LYS 430 N 2.32 -0.12 -0.75 1.97 3.64 -1.37 0.13 116.57 122.39 3fwa h LYS 430 Ca 0.00 0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.42 3fwa h LYS 430 Cb 0.50 0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 32.31 3fwa h LYS 430 CO 0.00 -0.08 0.47 1.15 -2.27 0.00 0.00 179.45 178.72 3fwa h THR 431 N -0.12 1.11 -0.47 1.00 2.02 -1.83 -1.21 112.91 113.40 3fwa h THR 431 Ca 0.22 -0.32 -0.01 0.00 0.77 0.00 0.00 66.41 67.07 3fwa h THR 431 Cb 0.46 0.11 -0.02 0.00 -1.74 0.00 0.00 68.15 66.95 3fwa h THR 431 CO -0.54 0.17 0.27 -0.08 0.37 0.00 0.00 175.52 175.71 3fwa h GLU 432 N 0.92 0.66 -0.46 6.66 4.81 -1.41 -1.17 114.58 124.58 3fwa h GLU 432 Ca 0.30 -0.07 0.02 0.00 -0.13 0.00 0.00 59.36 59.47 3fwa h GLU 432 Cb 0.01 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.23 3fwa h GLU 432 CO -0.11 0.51 0.28 0.74 -0.73 0.00 0.00 179.01 179.70 3fwa h PHE 433 N 0.63 0.52 -0.40 0.92 0.04 -0.19 -0.93 116.94 117.53 3fwa h PHE 433 Ca 0.17 0.02 -0.10 0.00 2.80 0.00 0.00 57.97 60.85 3fwa h PHE 433 Cb 0.03 -0.17 -0.02 0.00 2.20 0.00 0.00 35.95 38.00 3fwa h PHE 433 CO -0.02 0.31 -0.17 -0.07 -0.60 0.00 0.00 178.31 177.75 3fwa h LEU 434 N 0.56 0.75 -0.53 1.54 3.38 -1.06 -1.87 115.31 118.08 3fwa h LEU 434 Ca 0.18 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 3fwa h LEU 434 Cb -0.00 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 3fwa h LEU 434 CO -0.08 0.92 0.28 -0.78 0.09 0.00 0.00 178.44 178.87 3fwa h ASP 435 N 0.66 0.66 -0.41 -0.43 3.58 -0.92 -0.73 116.42 118.84 3fwa h ASP 435 Ca 0.10 -0.10 0.03 0.00 0.42 0.00 0.00 57.03 57.49 3fwa h ASP 435 Cb 0.66 -0.17 -0.03 0.00 1.72 0.00 0.00 39.33 41.50 3fwa h ASP 435 CO 0.05 0.57 0.20 -0.25 -2.88 0.00 0.00 179.24 176.93 3fwa h TRP 436 N 0.70 0.38 -0.66 0.28 7.01 -0.78 -1.23 115.95 121.66 3fwa h TRP 436 Ca 0.18 0.02 -0.04 0.00 2.11 0.00 0.00 58.89 61.16 3fwa h TRP 436 Cb 0.06 -0.11 -0.03 0.00 -2.10 0.00 0.00 29.16 26.98 3fwa h TRP 436 CO -0.01 0.20 0.25 1.25 -2.79 0.00 0.00 178.44 177.33 3fwa h LEU 437 N 0.41 0.93 -0.74 0.65 5.85 -1.12 -0.94 115.31 120.35 3fwa h LEU 437 Ca 0.17 -0.18 0.03 0.00 0.84 0.00 0.00 57.88 58.74 3fwa h LEU 437 Cb 0.08 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 40.82 3fwa h LEU 437 CO -0.12 0.86 0.47 -0.08 -0.34 0.00 0.00 178.44 179.22 3fwa h GLU 438 N 0.94 0.89 -0.22 1.25 4.81 -0.80 -1.66 114.58 119.79 3fwa h GLU 438 Ca 0.22 -0.05 -0.12 0.00 -0.13 0.00 0.00 59.36 59.27 3fwa h GLU 438 Cb 0.23 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.40 3fwa h GLU 438 CO -0.02 0.59 -0.38 0.87 -0.73 0.00 0.00 179.01 179.34 3fwa h LYS 439 N 0.91 0.50 -0.27 1.92 1.57 -0.78 -1.52 116.57 118.90 3fwa h LYS 439 Ca 0.30 -0.24 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 3fwa h LYS 439 Cb 0.01 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 3fwa h LYS 439 CO -0.11 0.81 0.14 0.28 -0.57 0.00 0.00 179.45 180.00 3fwa h VAL 440 N 0.42 1.13 -0.92 0.50 2.07 -0.77 -0.30 116.25 118.38 3fwa h VAL 440 Ca 0.04 -0.37 -0.01 0.00 0.82 0.00 0.00 66.70 67.18 3fwa h VAL 440 Cb 0.86 0.88 -0.04 0.00 -1.52 0.00 0.00 31.29 31.47 3fwa h VAL 440 CO 0.07 0.13 0.55 0.22 0.02 0.00 0.00 177.57 178.56 3fwa h TYR 441 N 0.32 1.23 -0.61 1.57 3.20 -1.12 -1.66 116.97 119.90 3fwa h TYR 441 Ca 0.09 -0.01 -0.10 0.00 3.14 0.00 0.00 58.73 61.86 3fwa h TYR 441 Cb 0.09 -0.40 -0.02 0.00 1.54 0.00 0.00 36.73 37.94 3fwa h TYR 441 CO -0.03 0.82 0.01 1.49 -1.64 0.00 0.00 178.16 178.81 3fwa h GLU 442 N 1.27 1.07 -0.88 1.82 4.57 -1.06 -2.79 114.58 118.59 3fwa h GLU 442 Ca 0.33 -0.34 0.03 0.00 -1.18 0.00 0.00 59.36 58.21 3fwa h GLU 442 Cb -0.04 -0.10 -0.05 0.00 -0.16 0.00 0.00 28.75 28.40 3fwa h GLU 442 CO -0.06 1.04 0.58 0.35 -1.18 0.00 0.00 179.01 179.74 3fwa h PHE 443 N 0.97 1.07 0.00 0.92 3.57 -0.45 -2.73 116.94 120.29 3fwa h PHE 443 Ca 0.17 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.70 3fwa h PHE 443 Cb 0.55 -0.36 0.00 0.00 2.79 0.00 0.00 35.95 38.94 3fwa h PHE 443 CO 0.04 0.62 0.00 -1.33 -2.23 0.00 0.00 178.31 175.41 3fwa n MET 444 N -4.44 0.24 -0.29 1.11 2.81 -0.68 -4.28 117.12 111.58 3fwa n MET 444 Ca 0.12 0.21 0.06 0.00 -1.81 0.00 0.00 57.70 56.27 3fwa n MET 444 Cb 0.10 -1.79 0.15 0.00 -0.71 0.00 0.00 33.22 30.98 3fwa n MET 444 CO 0.00 0.00 0.00 -0.22 1.51 0.00 0.00 175.97 177.26 3fwa h LYS 445 N 0.00 0.03 0.00 0.03 3.64 -1.24 -0.41 116.57 118.62 3fwa h LYS 445 Ca 0.00 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3fwa h LYS 445 Cb 0.71 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.52 3fwa h LYS 445 CO 0.00 0.02 0.00 -1.35 -2.27 0.00 0.00 179.45 175.85 3fwa h PRO 446 N 0.03 0.00 0.00 1.90 0.11 -1.81 -3.24 132.00 128.99 3fwa h PRO 446 Ca 0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.55 3fwa h PRO 446 Cb 0.76 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.87 3fwa h PRO 446 CO -0.81 0.00 -1.70 1.19 -0.21 0.00 0.00 178.00 176.47 3fwa n PHE 447 N -2.55 0.06 -3.26 0.65 3.72 -0.17 -5.00 117.46 110.91 3fwa n PHE 447 Ca 0.02 0.02 -0.11 0.00 -0.05 0.00 0.00 57.45 57.32 3fwa n PHE 447 Cb 0.27 -0.42 0.02 0.00 -0.94 0.00 0.00 39.48 38.41 3fwa n PHE 447 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 176.76 178.04 3fwa n VAL 448 N -2.11 0.00 -1.66 -4.37 0.24 -1.15 -4.76 118.33 104.52 3fwa n VAL 448 Ca -0.02 -1.05 -0.39 0.00 -2.04 0.00 0.00 64.34 60.84 3fwa n VAL 448 Cb 0.51 -0.57 0.04 0.00 -1.47 0.00 0.00 33.84 32.35 3fwa n VAL 448 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 3fwa n SER 449 N -2.39 1.58 -4.04 -1.34 3.41 -0.66 -4.87 113.62 105.31 3fwa n SER 449 Ca 0.05 0.93 -0.09 0.00 -0.26 0.00 0.00 58.87 59.50 3fwa n SER 449 Cb 0.32 -1.45 -0.11 0.00 -0.26 0.00 0.00 64.21 62.71 3fwa n SER 449 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3fwa s LYS 450 N -2.61 0.48 -1.10 4.33 1.02 -1.26 -4.17 119.74 116.43 3fwa s LYS 450 Ca 0.71 -0.89 -0.09 0.00 0.02 0.00 0.00 55.97 55.72 3fwa s LYS 450 Cb -0.45 0.07 -0.05 0.00 -0.52 0.00 0.00 37.83 36.89 3fwa s LYS 450 CO 0.50 -0.06 0.88 0.09 -0.92 0.00 0.00 175.35 175.85 3fwa n ASN 451 N 0.96 -5.72 -4.99 2.83 3.02 -1.26 -4.55 115.26 105.54 3fwa n ASN 451 Ca -0.20 -0.79 -0.19 0.00 -0.03 0.00 0.00 54.58 53.38 3fwa n ASN 451 Cb 0.57 -4.67 0.01 0.00 -0.61 0.00 0.00 39.78 35.09 3fwa n ASN 451 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 3fwa s PRO 452 N -4.96 2.84 -0.18 3.52 0.04 -1.26 -5.10 135.00 129.91 3fwa s PRO 452 Ca 0.41 -1.05 -0.29 0.00 0.04 0.00 0.00 61.00 60.11 3fwa s PRO 452 Cb -0.08 -2.70 -0.03 0.00 0.04 0.00 0.00 34.50 31.73 3fwa s PRO 452 CO 0.78 -0.30 1.51 0.50 0.04 0.00 0.00 177.00 179.52 3fwa s ARG 453 N -4.42 4.01 0.59 4.56 3.52 -1.26 -4.90 118.95 121.05 3fwa s ARG 453 Ca 0.53 1.74 -0.13 0.00 -0.13 0.00 0.00 55.73 57.74 3fwa s ARG 453 Cb -0.10 -3.94 -0.04 0.00 -1.56 0.00 0.00 34.95 29.30 3fwa s ARG 453 CO 0.34 -1.03 1.02 -0.51 -0.81 0.00 0.00 175.30 174.32 3fwa s LEU 454 N 4.42 3.38 0.00 -0.88 1.43 -1.26 -4.72 118.68 121.05 3fwa s LEU 454 Ca 0.66 1.56 0.00 0.00 -1.03 0.00 0.00 54.13 55.33 3fwa s LEU 454 Cb -0.25 -4.50 -0.00 0.00 0.03 0.00 0.00 46.19 41.47 3fwa s LEU 454 CO 0.25 -0.92 0.08 0.61 0.23 0.00 0.00 176.35 176.60 3fwa n GLY 455 N -1.98 3.29 2.82 -3.19 0.00 0.03 -4.23 105.19 101.93 3fwa n GLY 455 Ca 0.07 -1.53 -0.16 0.00 0.00 0.00 0.00 46.02 44.39 3fwa n GLY 455 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3fwa s TYR 456 N -3.70 -0.09 0.45 1.61 5.04 -1.26 -4.24 117.35 115.16 3fwa s TYR 456 Ca 0.06 0.43 0.15 0.00 -2.44 0.00 0.00 57.07 55.27 3fwa s TYR 456 Cb 0.00 -0.25 1.03 0.00 0.35 0.00 0.00 41.96 43.09 3fwa s TYR 456 CO 0.05 -0.20 2.00 -0.24 -1.34 0.00 0.00 175.55 175.82 3fwa h VAL 457 N 6.29 1.11 0.00 3.14 3.04 -1.83 0.28 116.25 128.27 3fwa h VAL 457 Ca -0.27 -0.58 0.00 0.00 -1.01 0.00 0.00 66.70 64.85 3fwa h VAL 457 Cb 1.12 1.31 0.00 0.00 -2.01 0.00 0.00 31.29 31.72 3fwa h VAL 457 CO 0.28 0.16 0.00 0.78 -1.01 0.00 0.00 177.57 177.78 3fwa h ASN 458 N 0.00 0.00 -1.93 3.17 2.35 -1.94 -2.56 115.58 114.66 3fwa h ASN 458 Ca -0.00 0.00 -0.74 0.00 -0.55 0.00 0.00 56.30 55.01 3fwa h ASN 458 Cb 0.30 0.00 -0.30 0.00 0.05 0.00 0.00 38.32 38.37 3fwa h ASN 458 CO 0.02 0.00 0.73 1.41 -1.65 0.00 0.00 177.43 177.94 3fwa n HIS 459 N -2.61 3.06 -1.61 1.19 8.25 0.97 -4.79 115.22 119.68 3fwa n HIS 459 Ca 0.01 -2.50 -0.49 0.00 -0.26 0.00 0.00 57.72 54.49 3fwa n HIS 459 Cb 0.22 -0.99 -0.04 0.00 1.12 0.00 0.00 29.99 30.30 3fwa n HIS 459 CO 0.00 0.00 0.00 1.51 0.64 0.00 0.00 176.34 178.49 3fwa n ILE 460 N -0.50 0.52 -3.62 1.59 0.13 -0.97 -4.69 119.36 111.83 3fwa n ILE 460 Ca 0.51 -0.13 -0.26 0.00 -1.10 0.00 0.00 62.75 61.76 3fwa n ILE 460 Cb 0.31 -1.05 -0.17 0.00 -0.84 0.00 0.00 39.64 37.89 3fwa n ILE 460 CO 0.00 0.00 0.00 -0.62 2.80 0.00 0.00 176.55 178.73 3fwa s ASP 461 N 0.32 2.52 0.00 9.51 -1.08 -1.26 -4.60 116.67 122.07 3fwa s ASP 461 Ca 0.76 -0.70 0.28 0.00 -0.52 0.00 0.00 52.55 52.38 3fwa s ASP 461 Cb -0.82 -0.30 1.48 0.00 -1.46 0.00 0.00 42.92 41.81 3fwa s ASP 461 CO 0.48 -0.35 1.98 0.18 0.52 0.00 0.00 175.17 177.98 3fwa n LEU 462 N 5.24 0.00 0.28 -1.34 4.77 -1.26 -2.80 117.00 121.89 3fwa n LEU 462 Ca -0.07 0.22 0.13 0.00 -0.03 0.00 0.00 56.01 56.26 3fwa n LEU 462 Cb 0.48 -0.22 0.79 0.00 -2.33 0.00 0.00 43.42 42.14 3fwa n LEU 462 CO 0.10 -0.02 1.04 0.44 -1.33 0.00 0.00 177.39 177.63 3fwa h ASP 463 N 0.00 0.00 0.83 -1.43 3.32 -2.00 -1.27 116.42 115.87 3fwa h ASP 463 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3fwa h ASP 463 Cb 0.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.75 3fwa h ASP 463 CO 0.00 0.06 0.00 -0.07 -1.72 0.00 0.00 179.24 177.51 3fwa h LEU 464 N 0.00 0.00 0.00 1.55 4.07 -1.97 -3.49 115.31 115.48 3fwa h LEU 464 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 3fwa h LEU 464 Cb 0.16 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.90 3fwa h LEU 464 CO 0.01 0.00 0.00 0.61 -1.08 0.00 0.00 178.44 177.98 3fwa n GLY 465 N -0.10 0.88 3.56 0.83 0.00 -0.48 -4.68 105.19 105.20 3fwa n GLY 465 Ca 0.01 -2.26 -0.10 0.00 0.00 0.00 0.00 46.02 43.67 3fwa n GLY 465 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3fwa s GLY 466 N 0.00 -0.31 -0.15 -0.02 0.00 -1.26 -4.70 107.32 100.87 3fwa s GLY 466 Ca 0.00 1.77 -0.16 0.00 0.00 0.00 0.00 44.72 46.32 3fwa s GLY 466 CO 0.00 0.83 0.41 -0.42 0.00 0.00 0.00 173.10 173.93 3fwa s ILE 467 N -1.67 5.22 -0.56 0.90 -1.09 0.14 -5.02 121.20 119.13 3fwa s ILE 467 Ca 0.01 0.79 -0.21 0.00 -2.23 0.00 0.00 60.65 59.01 3fwa s ILE 467 Cb -0.01 -3.75 0.06 0.00 -1.58 0.00 0.00 42.46 37.19 3fwa s ILE 467 CO -0.01 0.31 0.78 -0.62 -1.23 0.00 0.00 174.94 174.17 3fwa s ASP 468 N 0.72 6.24 0.00 3.58 -1.08 -1.26 -4.39 116.67 120.48 3fwa s ASP 468 Ca 0.22 -0.85 0.12 0.00 -0.52 0.00 0.00 52.55 51.52 3fwa s ASP 468 Cb -0.14 -2.35 0.54 0.00 -1.46 0.00 0.00 42.92 39.51 3fwa s ASP 468 CO 0.08 -1.11 1.33 0.79 0.52 0.00 0.00 175.17 176.79 3fwa n TRP 469 N 6.80 0.00 1.28 -5.34 7.02 -1.26 -1.32 117.44 124.62 3fwa n TRP 469 Ca -0.04 0.00 0.13 0.00 -1.02 0.00 0.00 57.50 56.57 3fwa n TRP 469 Cb 0.45 -0.40 0.34 0.00 -2.42 0.00 0.00 31.31 29.28 3fwa n TRP 469 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3fwa n GLY 470 N -0.29 0.43 3.35 6.99 0.00 -1.26 -4.84 105.19 109.58 3fwa n GLY 470 Ca 0.04 -0.55 -0.40 0.00 0.00 0.00 0.00 46.02 45.11 3fwa n GLY 470 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3fwa s ASN 471 N -2.00 5.70 0.21 1.61 3.84 -0.44 -5.00 114.94 118.86 3fwa s ASN 471 Ca 0.34 -1.07 -0.09 0.00 0.21 0.00 0.00 52.86 52.24 3fwa s ASN 471 Cb 0.21 -2.01 0.15 0.00 -0.55 0.00 0.00 41.25 39.05 3fwa s ASN 471 CO 0.32 -0.40 1.81 0.11 -2.79 0.00 0.00 177.10 176.14 3fwa h LYS 472 N 8.42 1.10 -0.39 0.43 1.57 -1.88 -0.77 116.57 125.05 3fwa h LYS 472 Ca -0.25 -0.15 -0.10 0.00 -1.87 0.00 0.00 60.65 58.28 3fwa h LYS 472 Cb 1.10 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 33.19 3fwa h LYS 472 CO 0.67 0.85 -0.16 0.00 -0.57 0.00 0.00 179.45 180.24 3fwa h THR 473 N 1.08 1.26 -0.13 -0.16 1.03 -1.96 -0.80 112.91 113.23 3fwa h THR 473 Ca 0.27 -1.22 -0.04 0.00 -0.01 0.00 0.00 66.41 65.41 3fwa h THR 473 Cb 0.10 1.13 -0.00 0.00 -1.07 0.00 0.00 68.15 68.31 3fwa h THR 473 CO -0.04 0.41 -0.06 0.58 -0.01 0.00 0.00 175.52 176.41 3fwa h VAL 474 N 0.65 1.31 -0.82 0.00 2.07 -1.81 -3.12 116.25 114.53 3fwa h VAL 474 Ca 0.10 -1.08 -0.01 0.00 0.82 0.00 0.00 66.70 66.54 3fwa h VAL 474 Cb 0.64 1.75 -0.04 0.00 -1.52 0.00 0.00 31.29 32.11 3fwa h VAL 474 CO 0.04 0.31 0.47 0.58 0.02 0.00 0.00 177.57 179.00 3fwa h VAL 475 N -0.06 1.24 -0.86 2.57 2.07 -0.98 -0.90 116.25 119.32 3fwa h VAL 475 Ca 0.03 -0.56 0.14 0.00 0.82 0.00 0.00 66.70 67.13 3fwa h VAL 475 Cb 0.51 0.10 -0.07 0.00 -1.52 0.00 0.00 31.29 30.32 3fwa h VAL 475 CO 0.02 0.26 0.56 0.78 0.02 0.00 0.00 177.57 179.21 3fwa h ASN 476 N 1.14 0.63 -0.61 0.57 2.35 -1.14 -2.07 115.58 116.45 3fwa h ASN 476 Ca 0.29 0.03 -0.28 0.00 -0.55 0.00 0.00 56.30 55.80 3fwa h ASN 476 Cb -0.00 -0.09 -0.17 0.00 0.05 0.00 0.00 38.32 38.11 3fwa h ASN 476 CO -0.05 0.33 0.22 -3.20 -1.65 0.00 0.00 177.43 173.07 3fwa n ASN 477 N -4.54 3.36 -0.08 5.81 5.15 -0.45 -4.76 115.26 119.75 3fwa n ASN 477 Ca 0.16 -3.57 -0.00 0.00 -0.60 0.00 0.00 54.58 50.57 3fwa n ASN 477 Cb 0.45 -0.71 0.27 0.00 -0.53 0.00 0.00 39.78 39.26 3fwa n ASN 477 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3fwa h ALA 478 N 1.32 1.37 -0.10 5.20 0.00 -0.53 -1.91 119.26 124.61 3fwa h ALA 478 Ca 0.34 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 3fwa h ALA 478 Cb 2.13 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 19.72 3fwa h ALA 478 CO 0.66 0.46 0.03 0.82 0.00 0.00 0.00 179.25 181.21 3fwa h ILE 479 N 0.69 1.19 -0.23 0.00 2.04 -1.85 0.31 117.51 119.65 3fwa h ILE 479 Ca 0.16 -0.58 -0.03 0.00 1.00 0.00 0.00 64.86 65.42 3fwa h ILE 479 Cb 0.20 1.38 -0.01 0.00 -0.74 0.00 0.00 36.82 37.65 3fwa h ILE 479 CO -0.01 0.17 0.04 -0.08 0.00 0.00 0.00 178.15 178.27 3fwa h GLU 480 N -0.03 0.37 -0.67 2.37 4.81 -1.91 -2.42 114.58 117.10 3fwa h GLU 480 Ca 0.03 -0.10 0.04 0.00 -0.13 0.00 0.00 59.36 59.21 3fwa h GLU 480 Cb 0.24 -0.05 -0.05 0.00 0.63 0.00 0.00 28.75 29.53 3fwa h GLU 480 CO -0.00 0.50 0.40 0.82 -0.73 0.00 0.00 179.01 180.00 3fwa h ILE 481 N 0.18 1.04 0.00 2.32 2.04 -1.31 -2.17 117.51 119.61 3fwa h ILE 481 Ca 0.07 -0.27 0.00 0.00 1.00 0.00 0.00 64.86 65.66 3fwa h ILE 481 Cb 0.30 0.20 0.00 0.00 -0.74 0.00 0.00 36.82 36.59 3fwa h ILE 481 CO 0.00 0.14 0.00 -1.54 0.00 0.00 0.00 178.15 176.75 3fwa n SER 482 N -4.72 0.03 0.23 1.72 3.41 0.09 -2.74 113.62 111.64 3fwa n SER 482 Ca 0.07 0.50 0.07 0.00 -0.26 0.00 0.00 58.87 59.26 3fwa n SER 482 Cb 0.12 -0.51 0.56 0.00 -0.26 0.00 0.00 64.21 64.12 3fwa n SER 482 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 3fwa h ARG 483 N 0.00 0.00 0.19 4.33 2.43 -0.88 0.22 114.38 120.67 3fwa h ARG 483 Ca 0.00 0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.18 3fwa h ARG 483 Cb 0.38 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.89 3fwa h ARG 483 CO 0.00 0.18 -0.44 1.03 -1.51 0.00 0.00 179.97 179.23 3fwa h SER 484 N 0.00 -1.28 0.50 -3.80 0.87 -1.66 -0.83 113.55 107.35 3fwa h SER 484 Ca -0.00 0.13 -0.30 0.00 -1.23 0.00 0.00 61.79 60.40 3fwa h SER 484 Cb 0.36 0.47 -0.02 0.00 -0.44 0.00 0.00 62.40 62.77 3fwa h SER 484 CO 0.02 -0.52 -1.54 4.11 -0.53 0.00 0.00 176.83 178.37 3fwa h TRP 485 N -0.72 0.31 -0.54 2.24 0.09 -1.79 -3.32 115.95 112.23 3fwa h TRP 485 Ca 0.00 -0.23 0.02 0.00 0.09 0.00 0.00 58.89 58.78 3fwa h TRP 485 Cb 0.71 -0.01 -0.03 0.00 0.08 0.00 0.00 29.16 29.91 3fwa h TRP 485 CO -0.35 1.29 0.33 0.78 0.09 0.00 0.00 178.44 180.58 3fwa h GLY 486 N 2.15 0.76 2.00 11.11 0.00 -0.44 -0.49 103.07 118.16 3fwa h GLY 486 Ca -0.24 -0.25 -0.08 0.00 0.00 0.00 0.00 47.33 46.76 3fwa h GLY 486 CO 0.14 0.22 -0.40 0.83 0.00 0.00 0.00 176.54 177.33 3fwa h GLU 487 N 0.66 0.00 -0.52 4.80 5.08 -1.34 -0.15 114.58 123.11 3fwa h GLU 487 Ca 0.21 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.45 3fwa h GLU 487 Cb 0.01 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 3fwa h GLU 487 CO -0.09 0.40 -0.16 0.77 -1.00 0.00 0.00 179.01 178.93 3fwa h SER 488 N 0.00 1.04 0.57 1.42 0.02 -1.45 0.98 113.55 116.13 3fwa h SER 488 Ca -0.00 -0.37 -0.27 0.00 -0.84 0.00 0.00 61.79 60.30 3fwa h SER 488 Cb 1.08 -0.28 0.01 0.00 0.14 0.00 0.00 62.40 63.34 3fwa h SER 488 CO 0.05 1.17 -1.22 1.88 -1.14 0.00 0.00 176.83 177.58 3fwa h TYR 489 N 0.89 0.54 0.00 3.45 0.05 -1.00 0.13 116.97 121.03 3fwa h TYR 489 Ca 0.13 -0.38 0.00 0.00 0.05 0.00 0.00 58.73 58.53 3fwa h TYR 489 Cb 0.74 -0.03 0.00 0.00 1.01 0.00 0.00 36.73 38.45 3fwa h TYR 489 CO 0.05 1.28 0.00 1.19 -1.05 0.00 0.00 178.16 179.63 3fwa n PHE 490 N -3.57 0.00 0.00 4.88 3.72 -0.08 -4.41 117.46 117.99 3fwa n PHE 490 Ca -0.09 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.31 3fwa n PHE 490 Cb 1.00 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.54 3fwa n PHE 490 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 3fwa n LEU 491 N -0.40 0.00 0.00 4.37 4.77 0.34 -1.01 117.00 125.06 3fwa n LEU 491 Ca 0.00 0.00 0.09 0.00 -0.03 0.00 0.00 56.01 56.07 3fwa n LEU 491 Cb 0.03 0.00 0.45 0.00 -2.33 0.00 0.00 43.42 41.57 3fwa n LEU 491 CO 0.00 0.00 0.78 -1.54 -1.33 0.00 0.00 177.39 175.30 3fwa n SER 492 N 2.19 0.00 0.00 -1.43 3.41 -1.26 -2.14 113.62 114.39 3fwa n SER 492 Ca 0.00 0.13 0.11 0.00 -0.26 0.00 0.00 58.87 58.86 3fwa n SER 492 Cb 0.00 -0.34 0.52 0.00 -0.26 0.00 0.00 64.21 64.14 3fwa n SER 492 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3fwa n ASN 493 N -1.34 0.00 -0.30 4.04 3.02 -0.18 -3.80 115.26 116.70 3fwa n ASN 493 Ca 0.08 0.35 -0.02 0.00 -0.03 0.00 0.00 54.58 54.95 3fwa n ASN 493 Cb 0.16 -0.44 0.10 0.00 -0.61 0.00 0.00 39.78 38.99 3fwa n ASN 493 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 3fwa h TYR 494 N 0.00 1.02 -0.30 3.10 3.20 -1.55 -1.87 116.97 120.56 3fwa h TYR 494 Ca 0.00 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.89 3fwa h TYR 494 Cb 0.35 -0.34 -0.01 0.00 1.54 0.00 0.00 36.73 38.27 3fwa h TYR 494 CO 0.00 0.60 0.16 0.93 -1.64 0.00 0.00 178.16 178.21 3fwa h GLU 495 N 1.07 0.43 -0.41 1.82 3.07 -1.84 -1.38 114.58 117.34 3fwa h GLU 495 Ca 0.32 -0.06 -0.07 0.00 -0.50 0.00 0.00 59.36 59.06 3fwa h GLU 495 Cb -0.04 -0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 27.77 3fwa h GLU 495 CO -0.10 0.39 -0.02 -0.09 -1.40 0.00 0.00 179.01 177.79 3fwa h ARG 496 N 0.36 0.68 -0.69 2.33 2.43 -1.75 -2.03 114.38 115.71 3fwa h ARG 496 Ca 0.11 -0.17 0.01 0.00 -0.81 0.00 0.00 59.98 59.11 3fwa h ARG 496 Cb 0.09 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.53 3fwa h ARG 496 CO -0.01 0.71 0.45 -0.07 -1.51 0.00 0.00 179.97 179.53 3fwa h LEU 497 N 0.64 0.78 -0.74 3.80 3.38 -0.98 -0.49 115.31 121.70 3fwa h LEU 497 Ca 0.13 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 3fwa h LEU 497 Cb 0.42 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.95 3fwa h LEU 497 CO 0.02 0.56 0.43 0.40 0.09 0.00 0.00 178.44 179.94 3fwa h ILE 498 N 0.92 1.22 -0.48 1.22 2.04 -0.75 0.43 117.51 122.11 3fwa h ILE 498 Ca 0.25 -0.50 -0.02 0.00 1.00 0.00 0.00 64.86 65.59 3fwa h ILE 498 Cb -0.10 0.21 -0.02 0.00 -0.74 0.00 0.00 36.82 36.17 3fwa h ILE 498 CO -0.06 0.23 0.21 0.03 0.00 0.00 0.00 178.15 178.56 3fwa h ARG 499 N 1.01 0.71 -0.72 2.37 3.08 -0.98 -1.48 114.38 118.36 3fwa h ARG 499 Ca 0.26 -0.12 -0.03 0.00 0.07 0.00 0.00 59.98 60.16 3fwa h ARG 499 Cb -0.01 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 29.89 3fwa h ARG 499 CO -0.05 0.62 0.33 0.00 -1.07 0.00 0.00 179.97 179.80 3fwa h ALA 500 N 1.05 0.93 -0.55 0.04 0.00 -0.73 -1.98 119.26 118.03 3fwa h ALA 500 Ca 0.16 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3fwa h ALA 500 Cb 0.16 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 3fwa h ALA 500 CO -0.02 0.52 0.35 -0.22 0.00 0.00 0.00 179.25 179.88 3fwa h LYS 501 N 1.02 0.73 -0.55 0.00 1.63 -0.72 -1.26 116.57 117.42 3fwa h LYS 501 Ca 0.25 -0.05 -0.03 0.00 -0.85 0.00 0.00 60.65 59.96 3fwa h LYS 501 Cb 0.15 -0.16 -0.03 0.00 -0.60 0.00 0.00 32.23 31.59 3fwa h LYS 501 CO -0.03 0.50 0.22 1.15 -3.45 0.00 0.00 179.45 177.85 3fwa h THR 502 N 0.74 1.20 -0.06 1.00 2.02 -0.99 0.87 112.91 117.69 3fwa h THR 502 Ca 0.20 -0.61 -0.02 0.00 0.77 0.00 0.00 66.41 66.75 3fwa h THR 502 Cb -0.06 0.54 -0.00 0.00 -1.74 0.00 0.00 68.15 66.89 3fwa h THR 502 CO -0.04 0.24 -0.05 0.25 0.37 0.00 0.00 175.52 176.29 3fwa h LEU 503 N 0.78 0.14 0.00 2.58 5.85 -0.89 -3.17 115.31 120.60 3fwa h LEU 503 Ca 0.19 -0.47 -0.13 0.00 0.84 0.00 0.00 57.88 58.30 3fwa h LEU 503 Cb 0.15 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.11 3fwa h LEU 503 CO -0.02 0.58 -1.52 0.00 -0.34 0.00 0.00 178.44 177.14 3fwa n ILE 504 N -4.75 0.94 -3.11 4.05 0.13 -0.52 -4.54 119.36 111.56 3fwa n ILE 504 Ca -0.07 -0.66 -0.17 0.00 -1.10 0.00 0.00 62.75 60.75 3fwa n ILE 504 Cb 0.28 -0.53 -0.01 0.00 -0.84 0.00 0.00 39.64 38.54 3fwa n ILE 504 CO 0.00 0.00 0.00 -0.67 2.80 0.00 0.00 176.55 178.68 3fwa n ASP 505 N -2.75 0.20 0.27 9.51 2.03 0.29 -4.51 116.55 121.59 3fwa n ASP 505 Ca -0.10 -3.09 0.11 0.00 0.52 0.00 0.00 54.79 52.23 3fwa n ASP 505 Cb 0.78 -0.18 0.75 0.00 -0.72 0.00 0.00 41.12 41.76 3fwa n ASP 505 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 3fwa h PRO 506 N 3.12 0.00 -0.23 -0.67 0.13 -1.62 -1.36 132.00 131.38 3fwa h PRO 506 Ca 0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.19 3fwa h PRO 506 Cb 0.98 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.11 3fwa h PRO 506 CO 0.44 0.02 0.00 0.09 -0.23 0.00 0.00 178.00 178.31 3fwa n ASN 507 N -4.18 2.23 -3.59 1.44 3.02 -1.26 -4.89 115.26 108.03 3fwa n ASN 507 Ca -0.03 -1.80 -0.22 0.00 -0.03 0.00 0.00 54.58 52.49 3fwa n ASN 507 Cb 0.10 -0.14 0.07 0.00 -0.61 0.00 0.00 39.78 39.21 3fwa n ASN 507 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 3fwa n ASN 508 N 0.70 -4.60 0.10 6.41 5.15 -0.51 -4.89 115.26 117.61 3fwa n ASN 508 Ca 0.17 -0.61 0.00 0.00 -0.60 0.00 0.00 54.58 53.54 3fwa n ASN 508 Cb 0.42 -4.88 0.31 0.00 -0.53 0.00 0.00 39.78 35.09 3fwa n ASN 508 CO 0.00 0.00 0.00 0.58 1.40 0.00 0.00 177.26 179.24 3fwa h VAL 509 N -2.36 1.24 -3.35 3.44 2.07 -1.93 -3.38 116.25 111.99 3fwa h VAL 509 Ca -0.58 -1.12 -0.72 0.00 0.82 0.00 0.00 66.70 65.10 3fwa h VAL 509 Cb 1.36 1.41 -0.28 0.00 -1.52 0.00 0.00 31.29 32.26 3fwa h VAL 509 CO 0.55 0.34 -0.41 -0.36 0.02 0.00 0.00 177.57 177.72 3fwa s PHE 510 N -4.47 3.37 0.05 1.57 0.08 -1.26 -4.54 117.98 112.77 3fwa s PHE 510 Ca -0.05 -1.63 -0.06 0.00 0.12 0.00 0.00 56.93 55.31 3fwa s PHE 510 Cb 0.14 -3.27 -0.01 0.00 -0.57 0.00 0.00 43.02 39.32 3fwa s PHE 510 CO 0.75 -0.92 0.11 0.54 -0.10 0.00 0.00 175.22 175.60 3fwa s ASN 511 N 2.49 0.18 0.35 1.36 2.20 -1.21 -4.36 114.94 115.95 3fwa s ASN 511 Ca 0.04 -0.58 -0.17 0.00 -0.94 0.00 0.00 52.86 51.22 3fwa s ASN 511 Cb -0.25 0.25 0.05 0.00 -2.00 0.00 0.00 41.25 39.30 3fwa s ASN 511 CO 0.01 -0.56 0.80 -1.38 -2.94 0.00 0.00 177.10 173.03 3fwa s HIS 512 N -2.93 0.07 0.61 1.54 -3.43 -1.26 -4.98 115.29 104.90 3fwa s HIS 512 Ca -0.02 -0.69 0.31 0.00 -0.80 0.00 0.00 55.06 53.86 3fwa s HIS 512 Cb 0.01 0.81 1.80 0.00 -1.43 0.00 0.00 32.58 33.77 3fwa s HIS 512 CO -0.06 -1.47 2.15 -1.35 -2.00 0.00 0.00 174.74 172.01 3fwa h PRO 513 N 2.00 0.00 0.00 -0.38 0.11 -1.97 -2.42 132.00 129.34 3fwa h PRO 513 Ca -0.30 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.79 3fwa h PRO 513 Cb 1.25 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.31 3fwa h PRO 513 CO 0.38 0.00 -0.42 1.04 -0.21 0.00 0.00 178.00 178.78 3fwa n GLN 514 N -3.63 1.21 -2.56 1.05 6.02 -1.26 0.29 117.38 118.50 3fwa n GLN 514 Ca -0.00 -2.80 -0.35 0.00 -0.01 0.00 0.00 57.00 53.83 3fwa n GLN 514 Cb 0.25 -1.32 -0.04 0.00 1.02 0.00 0.00 30.24 30.14 3fwa n GLN 514 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 3fwa s SER 515 N -2.85 6.59 0.16 1.08 1.04 -0.91 -4.96 113.70 113.85 3fwa s SER 515 Ca 0.33 1.97 -0.32 0.00 0.48 0.00 0.00 55.95 58.42 3fwa s SER 515 Cb 0.32 -2.57 -0.12 0.00 0.10 0.00 0.00 66.02 63.75 3fwa s SER 515 CO -0.05 -0.61 1.75 -0.38 0.98 0.00 0.00 173.24 174.94 3fwa n ILE 516 N -0.48 0.16 -2.55 -1.02 2.08 -1.26 -4.90 119.36 111.39 3fwa n ILE 516 Ca 0.07 -0.03 -0.40 0.00 0.56 0.00 0.00 62.75 62.95 3fwa n ILE 516 Cb 0.51 -1.97 -0.05 0.00 -0.75 0.00 0.00 39.64 37.39 3fwa n ILE 516 CO 0.00 0.00 0.00 -2.84 0.56 0.00 0.00 176.55 174.27 3fwa s PRO 517 N 1.84 4.64 0.54 0.38 0.02 -1.26 -5.00 135.00 136.15 3fwa s PRO 517 Ca 0.79 1.69 -0.11 0.00 0.02 0.00 0.00 61.00 63.39 3fwa s PRO 517 Cb -0.53 -3.13 -0.05 0.00 0.02 0.00 0.00 34.50 30.81 3fwa s PRO 517 CO 0.36 0.25 0.94 -1.25 -0.33 0.00 0.00 177.00 176.96 3fwa s PRO 518 N -1.51 3.70 0.13 5.54 0.04 -1.26 -4.73 135.00 136.90 3fwa s PRO 518 Ca 0.45 0.65 -0.29 0.00 0.04 0.00 0.00 61.00 61.85 3fwa s PRO 518 Cb -0.29 -2.19 -0.06 0.00 0.04 0.00 0.00 34.50 31.99 3fwa s PRO 518 CO 0.37 -0.35 0.93 -1.64 0.04 0.00 0.00 177.00 176.35 3fwa s MET 519 N -4.64 4.70 -0.10 4.56 -1.94 -1.26 -4.99 119.30 115.62 3fwa s MET 519 Ca 0.54 1.41 -0.07 0.00 -1.71 0.00 0.00 55.69 55.87 3fwa s MET 519 Cb -0.10 -3.36 -0.04 0.00 2.01 0.00 0.00 34.83 33.34 3fwa s MET 519 CO 0.44 0.28 0.15 0.00 -0.01 0.00 0.00 175.02 175.87 3fwa s ALA 520 N -0.22 3.89 0.37 3.03 0.00 -1.26 -4.98 121.76 122.59 3fwa s ALA 520 Ca 0.45 -0.65 -0.13 0.00 0.00 0.00 0.00 51.96 51.63 3fwa s ALA 520 Cb -0.23 -1.97 -0.08 0.00 0.00 0.00 0.00 23.12 20.84 3fwa s ALA 520 CO 0.29 0.63 0.76 1.21 0.00 0.00 0.00 175.76 178.65 3fwa s ASN 521 N -1.14 6.65 0.00 0.00 3.84 -1.26 -5.24 114.94 117.79 3fwa s ASN 521 Ca 0.17 1.21 0.00 0.00 0.21 0.00 0.00 52.86 54.45 3fwa s ASN 521 Cb -0.12 -2.35 0.00 0.00 -0.55 0.00 0.00 41.25 38.23 3fwa s ASN 521 CO 0.06 -0.31 0.28 0.33 -2.79 0.00 0.00 177.10 174.67