#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vbd n LEU 2 N 0.00 4.03 -4.58 0.99 7.94 -1.26 -4.91 117.00 119.21 1vbd n LEU 2 Ca 0.00 0.93 -0.43 0.00 -1.11 0.00 0.00 56.01 55.40 1vbd n LEU 2 Cb 0.00 -1.50 -0.04 0.00 0.53 0.00 0.00 43.42 42.41 1vbd n LEU 2 CO 0.00 0.15 1.87 -2.65 -1.11 0.00 0.00 177.39 175.66 1vbd n PRO 3 N 7.03 1.75 -4.45 1.96 -0.02 -1.26 -4.98 135.00 135.04 1vbd n PRO 3 Ca 0.20 0.45 -0.24 0.00 -2.02 0.00 0.00 63.50 61.89 1vbd n PRO 3 Cb 0.38 -3.17 -0.10 0.00 -0.02 0.00 0.00 33.50 30.60 1vbd n PRO 3 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1vbd s VAL 4 N 8.65 2.58 -0.06 -1.45 -7.23 -1.26 -5.14 120.40 116.50 1vbd s VAL 4 Ca 1.02 -2.35 -0.02 0.00 -1.81 0.00 0.00 61.98 58.82 1vbd s VAL 4 Cb -0.38 -2.35 0.03 0.00 0.56 0.00 0.00 36.38 34.23 1vbd s VAL 4 CO 0.36 -0.39 0.04 -0.32 -0.31 0.00 0.00 175.10 174.47 1vbd s MET 5 N -3.51 0.23 0.11 4.82 1.75 -1.26 -5.12 119.30 116.32 1vbd s MET 5 Ca 0.30 0.24 -0.31 0.00 -1.25 0.00 0.00 55.69 54.67 1vbd s MET 5 Cb -0.05 -0.77 -0.09 0.00 2.84 0.00 0.00 34.83 36.76 1vbd s MET 5 CO 0.15 -0.33 1.59 -0.80 -0.65 0.00 0.00 175.02 174.98 1vbd s ASN 6 N 2.08 6.62 0.37 1.11 0.01 -1.26 -5.03 114.94 118.84 1vbd s ASN 6 Ca 0.05 2.52 0.00 0.00 -0.71 0.00 0.00 52.86 54.72 1vbd s ASN 6 Cb -0.12 -2.58 -0.03 0.00 0.41 0.00 0.00 41.25 38.93 1vbd s ASN 6 CO -0.04 -0.84 0.58 0.42 -1.51 0.00 0.00 177.10 175.71 1vbd s THR 7 N 1.88 4.85 0.42 1.60 -4.23 -1.26 -5.03 115.64 113.87 1vbd s THR 7 Ca 0.71 -0.46 -0.22 0.00 -1.18 0.00 0.00 61.69 60.54 1vbd s THR 7 Cb -0.41 -3.77 -0.13 0.00 1.34 0.00 0.00 72.50 69.52 1vbd s THR 7 CO 0.31 -0.51 0.41 -2.65 -0.54 0.00 0.00 174.62 171.64 1vbd n PRO 8 N -1.86 0.40 0.00 3.99 -0.02 -1.26 -2.31 135.00 133.94 1vbd n PRO 8 Ca -0.03 0.15 0.00 0.00 -2.02 0.00 0.00 63.50 61.59 1vbd n PRO 8 Cb 0.56 -1.37 0.00 0.00 -0.02 0.00 0.00 33.50 32.67 1vbd n PRO 8 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1vbd n GLY 9 N 1.95 3.22 3.62 -1.23 0.00 -1.26 -5.04 105.19 106.45 1vbd n GLY 9 Ca 0.11 0.00 -0.51 0.00 0.00 0.00 0.00 46.02 45.63 1vbd n GLY 9 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1vbd n SER 10 N 0.06 2.13 0.00 1.61 7.64 -0.98 -2.14 113.62 121.94 1vbd n SER 10 Ca 0.00 1.10 0.00 0.00 1.01 0.00 0.00 58.87 60.98 1vbd n SER 10 Cb 0.00 -1.25 0.00 0.00 -1.01 0.00 0.00 64.21 61.95 1vbd n SER 10 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1vbd n ASN 11 N 3.07 -1.17 -4.84 6.43 3.02 -1.26 -5.02 115.26 115.50 1vbd n ASN 11 Ca 0.19 0.00 -0.30 0.00 -0.03 0.00 0.00 54.58 54.43 1vbd n ASN 11 Cb 0.21 -1.40 0.06 0.00 -0.61 0.00 0.00 39.78 38.04 1vbd n ASN 11 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1vbd s GLN 12 N -0.61 2.75 -0.32 3.52 -2.07 -0.91 -5.04 119.66 116.97 1vbd s GLN 12 Ca 0.00 0.72 0.04 0.00 -1.82 0.00 0.00 55.36 54.30 1vbd s GLN 12 Cb 0.00 -1.99 0.09 0.00 -1.09 0.00 0.00 33.01 30.02 1vbd s GLN 12 CO 0.00 -1.17 0.02 -0.47 -1.32 0.00 0.00 175.29 172.35 1vbd s TYR 13 N -3.17 3.67 -0.39 9.60 5.04 -1.26 -5.07 117.35 125.78 1vbd s TYR 13 Ca 0.58 -2.87 -0.22 0.00 -2.44 0.00 0.00 57.07 52.13 1vbd s TYR 13 Cb -0.13 -2.73 0.01 0.00 0.35 0.00 0.00 41.96 39.46 1vbd s TYR 13 CO 0.54 -0.94 0.71 -1.17 -1.34 0.00 0.00 175.55 173.35 1vbd s LEU 14 N 0.94 4.25 0.58 6.97 2.96 -1.26 -4.94 118.68 128.18 1vbd s LEU 14 Ca 0.07 0.09 0.28 0.00 -0.22 0.00 0.00 54.13 54.36 1vbd s LEU 14 Cb -0.19 -2.88 1.52 0.00 0.50 0.00 0.00 46.19 45.13 1vbd s LEU 14 CO -0.07 -0.72 1.96 0.00 -1.32 0.00 0.00 176.35 176.19 1vbd h THR 15 N 5.78 0.42 -0.36 3.68 1.03 -2.07 0.28 112.91 121.67 1vbd h THR 15 Ca -0.25 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.15 1vbd h THR 15 Cb 1.10 0.68 0.00 0.00 -1.07 0.00 0.00 68.15 68.86 1vbd h THR 15 CO 0.89 0.00 0.00 0.00 -0.01 0.00 0.00 175.52 176.40 1vbd n ALA 16 N -2.37 3.01 -1.61 0.00 0.00 -1.26 -4.98 120.51 113.30 1vbd n ALA 16 Ca 0.07 -0.97 -0.30 0.00 0.00 0.00 0.00 53.44 52.24 1vbd n ALA 16 Cb 0.58 -1.04 0.09 0.00 0.00 0.00 0.00 19.45 19.08 1vbd n ALA 16 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1vbd s ASP 17 N -0.63 4.43 -0.45 0.00 -4.77 0.08 -5.05 116.67 110.29 1vbd s ASP 17 Ca 0.30 1.20 0.05 0.00 -3.30 0.00 0.00 52.55 50.80 1vbd s ASP 17 Cb 0.21 -1.90 0.19 0.00 -1.09 0.00 0.00 42.92 40.33 1vbd s ASP 17 CO 0.12 -1.99 0.42 -3.20 0.70 0.00 0.00 175.17 171.23 1vbd n ASN 18 N -3.43 0.29 -4.47 2.11 5.15 -1.26 -5.10 115.26 108.54 1vbd n ASN 18 Ca 0.07 -2.60 -0.24 0.00 -0.60 0.00 0.00 54.58 51.21 1vbd n ASN 18 Cb 0.57 -0.60 -0.10 0.00 -0.53 0.00 0.00 39.78 39.12 1vbd n ASN 18 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 1vbd s PHE 19 N -0.56 2.25 0.62 1.20 0.08 -1.26 -5.14 117.98 115.17 1vbd s PHE 19 Ca 0.33 -0.40 -0.15 0.00 0.12 0.00 0.00 56.93 56.83 1vbd s PHE 19 Cb 0.07 -1.06 -0.03 0.00 -0.57 0.00 0.00 43.02 41.44 1vbd s PHE 19 CO -0.16 0.64 1.06 -0.65 -0.10 0.00 0.00 175.22 176.01 1vbd s GLN 20 N -3.55 3.23 0.03 0.44 -0.21 -1.26 -5.09 119.66 113.25 1vbd s GLN 20 Ca 0.30 1.15 -0.17 0.00 0.02 0.00 0.00 55.36 56.66 1vbd s GLN 20 Cb -0.03 -2.02 0.03 0.00 1.00 0.00 0.00 33.01 31.99 1vbd s GLN 20 CO 0.14 -0.88 0.37 -1.54 -2.12 0.00 0.00 175.29 171.27 1vbd s SER 21 N -3.01 -0.23 0.32 5.90 1.04 -1.26 -5.15 113.70 111.31 1vbd s SER 21 Ca 0.62 -0.03 -0.29 0.00 0.48 0.00 0.00 55.95 56.73 1vbd s SER 21 Cb -0.16 0.39 -0.12 0.00 0.10 0.00 0.00 66.02 66.24 1vbd s SER 21 CO 0.41 -0.61 1.51 -0.81 0.98 0.00 0.00 173.24 174.72 1vbd n PRO 22 N 0.66 2.56 -2.76 4.02 -0.04 -1.26 -4.97 135.00 133.21 1vbd n PRO 22 Ca -0.19 0.91 -0.42 0.00 -0.04 0.00 0.00 63.50 63.75 1vbd n PRO 22 Cb 0.59 -2.64 -0.03 0.00 -0.04 0.00 0.00 33.50 31.38 1vbd n PRO 22 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1vbd h ALA 24 N 7.35 1.01 -2.67 0.00 0.00 -2.09 -3.34 119.26 119.52 1vbd h ALA 24 Ca -0.26 -0.11 -0.61 0.00 0.00 0.00 0.00 54.91 53.93 1vbd h ALA 24 Cb 1.11 -0.02 -0.42 0.00 0.00 0.00 0.00 17.79 18.46 1vbd h ALA 24 CO 0.89 0.16 -0.61 1.28 0.00 0.00 0.00 179.25 180.97 1vbd n LEU 25 N -3.26 3.13 -4.73 0.00 4.77 -1.26 -5.10 117.00 110.54 1vbd n LEU 25 Ca 0.00 -5.27 -0.36 0.00 -0.03 0.00 0.00 56.01 50.36 1vbd n LEU 25 Cb 0.38 -0.64 0.07 0.00 -2.33 0.00 0.00 43.42 40.91 1vbd n LEU 25 CO 0.31 1.89 0.88 -2.16 -1.33 0.00 0.00 177.39 176.98 1vbd s PRO 26 N -1.82 2.50 -0.82 3.23 0.04 -1.25 -3.36 135.00 133.51 1vbd s PRO 26 Ca 0.32 1.99 0.00 0.00 0.04 0.00 0.00 61.00 63.34 1vbd s PRO 26 Cb 0.04 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.74 1vbd s PRO 26 CO -0.11 -1.62 0.00 0.39 0.04 0.00 0.00 177.00 175.70 1vbd n GLU 27 N -2.04 -1.54 -1.68 4.56 -0.58 -1.26 -4.92 120.64 113.18 1vbd n GLU 27 Ca 0.15 0.57 -0.45 0.00 -0.42 0.00 0.00 57.16 57.00 1vbd n GLU 27 Cb 0.49 -4.59 -0.04 0.00 -0.57 0.00 0.00 31.44 26.73 1vbd n GLU 27 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1vbd n PHE 28 N -1.58 2.34 -2.51 -0.32 7.35 -1.21 -4.91 117.46 116.62 1vbd n PHE 28 Ca -0.08 0.26 -0.40 0.00 -0.76 0.00 0.00 57.45 56.47 1vbd n PHE 28 Cb 0.36 -2.55 -0.03 0.00 0.35 0.00 0.00 39.48 37.61 1vbd n PHE 28 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 1vbd s ASP 29 N 0.87 6.25 0.24 -2.13 2.15 -1.26 -5.00 116.67 117.80 1vbd s ASP 29 Ca 0.77 -0.97 -0.30 0.00 0.43 0.00 0.00 52.55 52.47 1vbd s ASP 29 Cb -0.65 -2.56 -0.10 0.00 -0.30 0.00 0.00 42.92 39.30 1vbd s ASP 29 CO 0.39 -1.73 1.47 -0.69 -0.17 0.00 0.00 175.17 174.43 1vbd s VAL 30 N 5.70 2.59 0.04 1.11 1.01 -1.26 -4.99 120.40 124.61 1vbd s VAL 30 Ca 0.44 0.49 -0.31 0.00 0.00 0.00 0.00 61.98 62.60 1vbd s VAL 30 Cb -0.04 -3.31 -0.06 0.00 0.00 0.00 0.00 36.38 32.97 1vbd s VAL 30 CO 0.01 0.07 1.41 -0.89 0.00 0.00 0.00 175.10 175.70 1vbd s THR 31 N 0.13 3.54 0.79 3.92 2.01 -1.26 -5.00 115.64 119.78 1vbd s THR 31 Ca 0.61 1.01 -0.13 0.00 0.31 0.00 0.00 61.69 63.49 1vbd s THR 31 Cb -0.43 -3.65 0.07 0.00 0.01 0.00 0.00 72.50 68.51 1vbd s THR 31 CO 0.42 0.03 1.19 -2.16 -0.69 0.00 0.00 174.62 173.41 1vbd s PRO 32 N 1.96 1.77 0.62 4.92 0.04 -1.26 -5.02 135.00 138.02 1vbd s PRO 32 Ca 0.65 1.69 -0.17 0.00 0.04 0.00 0.00 61.00 63.21 1vbd s PRO 32 Cb -0.34 -1.80 -0.02 0.00 0.04 0.00 0.00 34.50 32.38 1vbd s PRO 32 CO 0.28 -2.10 1.13 -1.25 0.04 0.00 0.00 177.00 175.10 1vbd s PRO 33 N -4.18 2.97 0.29 0.56 0.04 -1.26 -5.08 135.00 128.34 1vbd s PRO 33 Ca 0.72 1.52 0.11 0.00 0.04 0.00 0.00 61.00 63.39 1vbd s PRO 33 Cb -0.27 -1.96 -0.05 0.00 0.04 0.00 0.00 34.50 32.26 1vbd s PRO 33 CO 0.50 -1.14 -0.13 0.96 0.04 0.00 0.00 177.00 177.23 1vbd s ILE 34 N -2.07 2.65 -1.26 0.56 -4.36 -1.26 -5.06 121.20 110.41 1vbd s ILE 34 Ca 0.70 -2.25 -0.19 0.00 -0.26 0.00 0.00 60.65 58.65 1vbd s ILE 34 Cb -0.23 -2.49 0.04 0.00 1.25 0.00 0.00 42.46 41.03 1vbd s ILE 34 CO 0.36 -0.36 1.76 -0.62 0.24 0.00 0.00 174.94 176.33 1vbd s ASP 35 N -3.57 6.45 0.06 4.36 2.15 -1.26 -4.97 116.67 119.90 1vbd s ASP 35 Ca 0.31 -2.23 -0.31 0.00 0.43 0.00 0.00 52.55 50.75 1vbd s ASP 35 Cb -0.04 -2.58 -0.06 0.00 -0.30 0.00 0.00 42.92 39.93 1vbd s ASP 35 CO 0.16 -1.57 1.32 -0.63 -0.17 0.00 0.00 175.17 174.28 1vbd s ILE 36 N 5.64 3.68 0.58 4.11 1.01 -1.26 -5.02 121.20 129.94 1vbd s ILE 36 Ca 0.57 1.17 -0.20 0.00 0.00 0.00 0.00 60.65 62.19 1vbd s ILE 36 Cb 0.03 -3.75 -0.04 0.00 0.01 0.00 0.00 42.46 38.70 1vbd s ILE 36 CO 0.08 0.07 1.21 -2.65 0.00 0.00 0.00 174.94 173.64 1vbd n PRO 37 N 4.32 1.29 -1.74 2.79 -0.02 -1.26 -4.22 135.00 136.16 1vbd n PRO 37 Ca 0.11 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 1vbd n PRO 37 Cb 0.44 -2.41 0.00 0.00 -0.02 0.00 0.00 33.50 31.51 1vbd n PRO 37 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1vbd n GLY 38 N 0.98 0.74 3.74 -1.23 0.00 -1.26 -5.05 105.19 103.12 1vbd n GLY 38 Ca 0.13 -0.69 -0.41 0.00 0.00 0.00 0.00 46.02 45.05 1vbd n GLY 38 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1vbd s GLU 39 N -3.61 4.42 -0.14 1.61 2.12 -1.26 -5.04 118.70 116.80 1vbd s GLU 39 Ca 0.00 2.03 -0.03 0.00 0.36 0.00 0.00 54.97 57.33 1vbd s GLU 39 Cb 0.00 -3.18 -0.03 0.00 0.26 0.00 0.00 34.13 31.18 1vbd s GLU 39 CO 0.00 -0.19 -0.02 0.08 -0.54 0.00 0.00 175.26 174.60 1vbd s VAL 40 N -0.17 4.10 -0.08 3.70 1.01 -1.26 -5.00 120.40 122.70 1vbd s VAL 40 Ca 0.54 -0.30 0.19 0.00 0.00 0.00 0.00 61.98 62.42 1vbd s VAL 40 Cb -0.36 -2.78 -0.29 0.00 0.00 0.00 0.00 36.38 32.95 1vbd s VAL 40 CO 0.40 0.52 0.32 0.29 0.00 0.00 0.00 175.10 176.63 1vbd n LYS 41 N 3.13 0.72 -3.75 2.72 4.76 -1.26 -5.01 118.16 119.46 1vbd n LYS 41 Ca -0.18 -0.13 -0.12 0.00 -2.87 0.00 0.00 58.31 55.01 1vbd n LYS 41 Cb 0.53 -1.48 -0.12 0.00 -1.84 0.00 0.00 35.03 32.11 1vbd n LYS 41 CO 0.00 0.00 0.00 1.21 -1.37 0.00 0.00 177.40 177.24 1vbd s ASN 42 N -4.66 -0.29 0.45 4.39 3.84 -1.26 -5.05 114.94 112.36 1vbd s ASN 42 Ca -0.08 0.55 0.19 0.00 0.21 0.00 0.00 52.86 53.73 1vbd s ASN 42 Cb 0.11 0.50 1.15 0.00 -0.55 0.00 0.00 41.25 42.46 1vbd s ASN 42 CO 0.82 -0.13 1.91 0.24 -2.79 0.00 0.00 177.10 177.15 1vbd h MET 43 N 6.42 0.31 -0.02 0.43 2.86 -2.03 -1.12 114.93 121.77 1vbd h MET 43 Ca -0.33 -0.02 0.01 0.00 -2.06 0.00 0.00 59.70 57.30 1vbd h MET 43 Cb 1.18 -0.07 -0.00 0.00 0.06 0.00 0.00 31.60 32.77 1vbd h MET 43 CO 0.35 0.20 0.02 0.52 1.06 0.00 0.00 176.91 179.07 1vbd h MET 44 N 0.32 0.00 -0.99 1.72 2.86 -1.96 -0.45 114.93 116.43 1vbd h MET 44 Ca 0.39 0.00 0.14 0.00 -2.06 0.00 0.00 59.70 58.17 1vbd h MET 44 Cb 1.04 0.00 -0.09 0.00 0.06 0.00 0.00 31.60 32.61 1vbd h MET 44 CO -0.11 0.00 0.61 0.93 1.06 0.00 0.00 176.91 179.40 1vbd h GLU 45 N 0.00 0.87 -0.26 1.72 5.08 -1.63 -1.37 114.58 118.99 1vbd h GLU 45 Ca 0.01 -0.05 -0.19 0.00 -1.00 0.00 0.00 59.36 58.13 1vbd h GLU 45 Cb 0.05 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.11 1vbd h GLU 45 CO -0.00 0.57 -0.57 -0.07 -1.00 0.00 0.00 179.01 177.94 1vbd h LEU 46 N 0.89 0.91 -2.21 1.33 3.38 -1.24 -2.81 115.31 115.57 1vbd h LEU 46 Ca 0.52 -0.50 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 1vbd h LEU 46 Cb 0.62 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.11 1vbd h LEU 46 CO -0.31 1.28 -0.06 0.00 0.09 0.00 0.00 178.44 179.45 1vbd h ALA 47 N 0.73 1.36 -0.00 1.53 0.00 -1.12 -1.90 119.26 119.86 1vbd h ALA 47 Ca 0.01 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1vbd h ALA 47 Cb 1.17 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1vbd h ALA 47 CO 0.12 0.07 -0.01 0.39 0.00 0.00 0.00 179.25 179.83 1vbd n GLU 48 N -3.68 0.66 -3.11 0.00 1.02 -0.61 -0.67 120.64 114.25 1vbd n GLU 48 Ca -0.02 -0.03 -0.39 0.00 -0.02 0.00 0.00 57.16 56.69 1vbd n GLU 48 Cb 0.16 -1.50 -0.05 0.00 -0.02 0.00 0.00 31.44 30.03 1vbd n GLU 48 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1vbd s ILE 49 N -2.36 5.07 0.02 -3.67 1.01 -0.72 -4.58 121.20 115.97 1vbd s ILE 49 Ca 0.35 1.31 -0.32 0.00 0.00 0.00 0.00 60.65 61.99 1vbd s ILE 49 Cb 0.21 -3.98 -0.11 0.00 0.01 0.00 0.00 42.46 38.59 1vbd s ILE 49 CO 0.43 0.23 1.89 0.47 0.00 0.00 0.00 174.94 177.96 1vbd n ASP 50 N 4.03 3.83 -4.27 3.58 8.00 -1.26 -4.61 116.55 125.84 1vbd n ASP 50 Ca -0.02 0.96 -0.25 0.00 0.71 0.00 0.00 54.79 56.19 1vbd n ASP 50 Cb 0.51 -1.47 -0.13 0.00 -0.02 0.00 0.00 41.12 40.00 1vbd n ASP 50 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1vbd s THR 51 N 3.68 1.70 -0.07 -3.53 2.01 -0.88 -4.91 115.64 113.64 1vbd s THR 51 Ca 0.88 -1.36 -0.29 0.00 0.31 0.00 0.00 61.69 61.23 1vbd s THR 51 Cb -0.55 -1.51 -0.02 0.00 0.01 0.00 0.00 72.50 70.43 1vbd s THR 51 CO 0.44 0.09 0.98 -0.32 -0.69 0.00 0.00 174.62 175.12 1vbd s MET 52 N -1.51 4.47 -0.03 4.92 1.75 -1.26 -1.45 119.30 126.19 1vbd s MET 52 Ca 0.07 1.37 -0.30 0.00 -1.25 0.00 0.00 55.69 55.59 1vbd s MET 52 Cb -0.09 -3.51 -0.03 0.00 2.84 0.00 0.00 34.83 34.03 1vbd s MET 52 CO 0.03 -0.20 1.16 0.42 -0.65 0.00 0.00 175.02 175.78 1vbd s ILE 53 N 1.59 4.33 -1.05 10.11 1.01 0.17 -4.90 121.20 132.46 1vbd s ILE 53 Ca 0.49 1.65 -0.15 0.00 0.00 0.00 0.00 60.65 62.64 1vbd s ILE 53 Cb -0.19 -4.06 -0.08 0.00 0.01 0.00 0.00 42.46 38.13 1vbd s ILE 53 CO 0.22 0.03 2.14 -0.81 0.00 0.00 0.00 174.94 176.52 1vbd n PRO 54 N 4.83 2.16 -0.22 2.79 -0.04 -1.26 -4.52 135.00 138.74 1vbd n PRO 54 Ca 0.10 -1.96 -0.01 0.00 -0.04 0.00 0.00 63.50 61.59 1vbd n PRO 54 Cb 0.47 -2.88 0.10 0.00 -0.04 0.00 0.00 33.50 31.15 1vbd n PRO 54 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 1vbd h PHE 55 N 6.80 0.58 -2.81 0.54 0.04 -1.61 -3.35 116.94 117.13 1vbd h PHE 55 Ca 0.52 0.03 -0.77 0.00 2.80 0.00 0.00 57.97 60.54 1vbd h PHE 55 Cb 0.50 -0.17 -0.23 0.00 2.20 0.00 0.00 35.95 38.26 1vbd h PHE 55 CO 1.53 0.25 0.95 -3.47 -0.60 0.00 0.00 178.31 176.96 1vbd n ASP 56 N -4.86 5.44 -1.75 2.17 -0.08 0.12 -4.84 116.55 112.75 1vbd n ASP 56 Ca 0.08 -3.04 -0.10 0.00 -1.51 0.00 0.00 54.79 50.22 1vbd n ASP 56 Cb 0.21 -1.46 0.02 0.00 2.34 0.00 0.00 41.12 42.22 1vbd n ASP 56 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 1vbd n LEU 57 N 3.89 5.98 -4.75 -2.67 4.77 -1.26 -3.92 117.00 119.05 1vbd n LEU 57 Ca 0.30 -2.95 -0.33 0.00 -0.03 0.00 0.00 56.01 53.00 1vbd n LEU 57 Cb 0.40 -1.10 0.07 0.00 -2.33 0.00 0.00 43.42 40.46 1vbd n LEU 57 CO 0.57 1.16 0.76 -0.94 -1.33 0.00 0.00 177.39 177.61 1vbd s SER 58 N 0.98 4.69 0.43 -1.43 1.04 -1.26 -4.56 113.70 113.58 1vbd s SER 58 Ca 0.20 2.15 0.24 0.00 0.48 0.00 0.00 55.95 59.01 1vbd s SER 58 Cb 0.15 -2.57 1.25 0.00 0.10 0.00 0.00 66.02 64.95 1vbd s SER 58 CO -0.01 -1.92 1.73 0.00 0.98 0.00 0.00 173.24 174.02 1vbd h ALA 59 N -0.14 2.49 0.00 5.32 0.00 -1.96 0.84 119.26 125.80 1vbd h ALA 59 Ca -0.47 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1vbd h ALA 59 Cb 1.27 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.15 1vbd h ALA 59 CO 0.52 -0.96 -1.76 0.25 0.00 0.00 0.00 179.25 177.31 1vbd n THR 60 N -4.60 0.11 -0.02 0.00 -2.24 -1.26 -4.48 114.28 101.79 1vbd n THR 60 Ca 0.29 -0.48 -0.10 0.00 -2.27 0.00 0.00 64.05 61.49 1vbd n THR 60 Cb 1.10 -0.01 -0.14 0.00 -2.10 0.00 0.00 70.33 69.17 1vbd n THR 60 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1vbd h LYS 61 N 0.00 0.03 -7.07 -0.78 1.79 -1.40 -3.48 116.57 105.66 1vbd h LYS 61 Ca 0.00 -0.06 -0.55 0.00 -2.18 0.00 0.00 60.65 57.86 1vbd h LYS 61 Cb 0.97 0.02 0.17 0.00 -1.58 0.00 0.00 32.23 31.81 1vbd h LYS 61 CO 0.00 0.59 0.33 0.36 -1.08 0.00 0.00 179.45 179.65 1vbd n LYS 62 N -3.10 0.71 -2.52 3.15 2.85 0.13 -2.91 118.16 116.47 1vbd n LYS 62 Ca -0.18 0.30 -0.16 0.00 -1.05 0.00 0.00 58.31 57.22 1vbd n LYS 62 Cb 1.05 -2.40 -0.00 0.00 -0.65 0.00 0.00 35.03 33.02 1vbd n LYS 62 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1vbd n ASN 63 N -2.11 -4.54 -4.19 -5.58 3.02 -1.26 -4.94 115.26 95.66 1vbd n ASN 63 Ca 0.14 0.08 -0.11 0.00 -0.03 0.00 0.00 54.58 54.66 1vbd n ASN 63 Cb 0.49 -3.81 -0.10 0.00 -0.61 0.00 0.00 39.78 35.75 1vbd n ASN 63 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1vbd s THR 64 N -2.78 0.26 0.54 3.41 -4.23 -1.14 -5.02 115.64 106.68 1vbd s THR 64 Ca 0.04 -1.94 0.32 0.00 -1.18 0.00 0.00 61.69 58.93 1vbd s THR 64 Cb -0.02 -2.15 0.32 0.00 1.34 0.00 0.00 72.50 71.99 1vbd s THR 64 CO 0.05 -0.39 1.96 0.24 -0.54 0.00 0.00 174.62 175.94 1vbd h MET 65 N 2.77 0.00 -0.05 3.99 2.86 -1.93 -2.60 114.93 119.97 1vbd h MET 65 Ca -0.36 0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 57.17 1vbd h MET 65 Cb 1.21 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.85 1vbd h MET 65 CO 0.59 0.00 -0.50 0.93 1.06 0.00 0.00 176.91 178.99 1vbd h GLU 66 N 0.00 0.13 -0.09 1.72 4.39 -1.96 -3.21 114.58 115.56 1vbd h GLU 66 Ca 0.00 -0.07 0.02 0.00 0.34 0.00 0.00 59.36 59.65 1vbd h GLU 66 Cb 0.44 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.09 1vbd h GLU 66 CO 0.00 0.61 0.24 0.00 -1.16 0.00 0.00 179.01 178.69 1vbd h MET 67 N 0.10 0.00 0.00 2.33 -0.00 -1.36 -1.37 114.93 114.63 1vbd h MET 67 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 1vbd h MET 67 Cb 0.93 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.53 1vbd h MET 67 CO 0.07 0.00 -0.18 0.66 -0.00 0.00 0.00 176.91 177.46 1vbd n TYR 68 N -3.24 0.38 -3.55 -0.10 4.01 -1.21 -0.70 117.16 112.74 1vbd n TYR 68 Ca -0.00 0.11 -0.41 0.00 -0.16 0.00 0.00 57.90 57.44 1vbd n TYR 68 Cb 0.32 -0.62 -0.11 0.00 -0.31 0.00 0.00 39.34 38.62 1vbd n TYR 68 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 1vbd s ARG 69 N -3.06 3.18 -0.45 -0.72 0.52 -0.52 -4.53 118.95 113.38 1vbd s ARG 69 Ca 0.11 -0.85 -0.21 0.00 -0.52 0.00 0.00 55.73 54.26 1vbd s ARG 69 Cb 0.16 -3.78 0.03 0.00 0.52 0.00 0.00 34.95 31.87 1vbd s ARG 69 CO 0.61 -0.57 0.68 0.08 0.02 0.00 0.00 175.30 176.12 1vbd s VAL 70 N 1.65 4.78 -0.03 3.52 1.01 -0.28 -4.79 120.40 126.26 1vbd s VAL 70 Ca 0.05 0.15 -0.30 0.00 0.00 0.00 0.00 61.98 61.88 1vbd s VAL 70 Cb -0.18 -4.25 -0.04 0.00 0.00 0.00 0.00 36.38 31.91 1vbd s VAL 70 CO 0.09 -0.65 1.16 -0.60 0.00 0.00 0.00 175.10 175.10 1vbd s ARG 71 N 2.95 4.40 0.40 2.72 6.06 -1.26 -0.68 118.95 133.54 1vbd s ARG 71 Ca 0.24 1.65 0.07 0.00 -2.50 0.00 0.00 55.73 55.19 1vbd s ARG 71 Cb -0.14 -3.50 -0.06 0.00 0.06 0.00 0.00 34.95 31.32 1vbd s ARG 71 CO 0.19 -0.35 0.13 -0.51 -2.50 0.00 0.00 175.30 172.27 1vbd s LEU 72 N 1.81 3.07 0.15 -0.88 1.43 0.29 -4.99 118.68 119.56 1vbd s LEU 72 Ca 0.56 -1.10 -0.12 0.00 -1.03 0.00 0.00 54.13 52.43 1vbd s LEU 72 Cb -0.25 -1.36 0.01 0.00 0.03 0.00 0.00 46.19 44.62 1vbd s LEU 72 CO 0.24 -0.49 0.35 -0.94 0.23 0.00 0.00 176.35 175.74 1vbd s SER 73 N -3.85 -0.07 0.00 2.29 1.04 -1.26 -2.33 113.70 109.52 1vbd s SER 73 Ca 0.39 -0.63 0.00 0.00 0.48 0.00 0.00 55.95 56.20 1vbd s SER 73 Cb 0.04 0.46 0.00 0.00 0.10 0.00 0.00 66.02 66.62 1vbd s SER 73 CO 0.22 -0.89 0.51 -0.90 0.98 0.00 0.00 173.24 173.15 1vbd n ASP 74 N -0.22 0.27 -4.69 7.02 5.75 -0.06 -4.27 116.55 120.35 1vbd n ASP 74 Ca -0.11 -1.29 -0.33 0.00 -0.01 0.00 0.00 54.79 53.05 1vbd n ASP 74 Cb 0.63 -0.14 0.14 0.00 -1.03 0.00 0.00 41.12 40.72 1vbd n ASP 74 CO 0.00 0.00 0.00 -1.59 -0.11 0.00 0.00 177.20 175.50 1vbd s LYS 75 N -1.58 1.49 0.55 0.11 -2.85 -1.26 -4.77 119.74 111.43 1vbd s LYS 75 Ca 0.00 1.73 -0.21 0.00 -1.00 0.00 0.00 55.97 56.49 1vbd s LYS 75 Cb 0.00 -1.76 -0.05 0.00 -2.06 0.00 0.00 37.83 33.95 1vbd s LYS 75 CO 0.00 -2.32 1.23 -0.35 0.10 0.00 0.00 175.35 174.01 1vbd n PRO 76 N -3.49 1.45 -1.57 1.78 -0.05 -1.26 -4.66 135.00 127.20 1vbd n PRO 76 Ca 0.13 0.54 -0.49 0.00 -0.05 0.00 0.00 63.50 63.63 1vbd n PRO 76 Cb 0.51 -2.42 -0.04 0.00 -0.05 0.00 0.00 33.50 31.50 1vbd n PRO 76 CO 0.00 0.00 0.00 1.58 -0.05 0.00 0.00 175.50 177.03 1vbd n HIS 77 N -1.15 1.27 -4.15 0.54 -0.00 -1.26 -5.02 115.22 105.45 1vbd n HIS 77 Ca 0.11 0.69 -0.14 0.00 -0.00 0.00 0.00 57.72 58.38 1vbd n HIS 77 Cb 0.45 -2.27 -0.11 0.00 -0.00 0.00 0.00 29.99 28.05 1vbd n HIS 77 CO 0.00 0.00 0.00 -0.08 -0.00 0.00 0.00 176.34 176.26 1vbd s THR 78 N -0.12 0.83 -1.88 3.57 -1.32 -1.26 -5.04 115.64 110.42 1vbd s THR 78 Ca 0.75 -1.55 0.20 0.00 -1.21 0.00 0.00 61.69 59.88 1vbd s THR 78 Cb -0.88 -1.23 0.60 0.00 -1.51 0.00 0.00 72.50 69.48 1vbd s THR 78 CO 0.52 -0.55 1.50 0.47 -2.21 0.00 0.00 174.62 174.35 1vbd n ASP 79 N 0.70 3.72 -4.79 8.08 8.00 -1.26 -4.49 116.55 126.51 1vbd n ASP 79 Ca -0.17 -2.06 -0.37 0.00 0.71 0.00 0.00 54.79 52.90 1vbd n ASP 79 Cb 0.57 -0.47 -0.06 0.00 -0.02 0.00 0.00 41.12 41.14 1vbd n ASP 79 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1vbd s ASP 80 N -0.98 7.29 0.29 -2.24 1.01 -1.26 -1.34 116.67 119.44 1vbd s ASP 80 Ca 0.45 1.78 -0.29 0.00 0.71 0.00 0.00 52.55 55.20 1vbd s ASP 80 Cb 0.24 -2.56 -0.10 0.00 1.01 0.00 0.00 42.92 41.51 1vbd s ASP 80 CO 0.29 -0.07 1.45 -2.16 0.21 0.00 0.00 175.17 174.90 1vbd s PRO 81 N -2.10 4.23 -0.02 8.23 0.04 -1.26 -4.63 135.00 139.50 1vbd s PRO 81 Ca 0.50 2.38 -0.25 0.00 0.04 0.00 0.00 61.00 63.66 1vbd s PRO 81 Cb -0.18 -3.07 -0.20 0.00 0.04 0.00 0.00 34.50 31.10 1vbd s PRO 81 CO 0.23 -0.44 1.24 0.82 0.04 0.00 0.00 177.00 178.89 1vbd h ILE 82 N 3.34 1.41 -3.21 0.56 2.04 -1.12 -3.47 117.51 117.06 1vbd h ILE 82 Ca -0.47 -1.27 -0.14 0.00 1.00 0.00 0.00 64.86 63.98 1vbd h ILE 82 Cb 1.22 2.22 -0.21 0.00 -0.74 0.00 0.00 36.82 39.31 1vbd h ILE 82 CO 0.74 0.34 -0.38 -1.48 0.00 0.00 0.00 178.15 177.37 1vbd s LEU 83 N -9.12 1.13 -0.09 1.44 0.05 -1.24 -5.00 118.68 105.86 1vbd s LEU 83 Ca -0.16 0.08 0.02 0.00 0.05 0.00 0.00 54.13 54.13 1vbd s LEU 83 Cb 0.02 0.98 0.01 0.00 -2.05 0.00 0.00 46.19 45.15 1vbd s LEU 83 CO 0.69 -0.34 -0.16 0.00 -0.55 0.00 0.00 176.35 175.99 1vbd s LEU 85 N 0.68 1.17 0.08 0.00 0.20 0.53 -5.01 118.68 116.32 1vbd s LEU 85 Ca -0.13 0.00 -0.30 0.00 0.69 0.00 0.00 54.13 54.39 1vbd s LEU 85 Cb -0.16 -0.14 -0.05 0.00 -0.43 0.00 0.00 46.19 45.41 1vbd s LEU 85 CO 0.03 -0.11 0.98 -0.44 -0.29 0.00 0.00 176.35 176.53 1vbd s SER 86 N 0.98 7.44 -1.15 3.68 0.01 -1.26 -0.60 113.70 122.80 1vbd s SER 86 Ca -0.09 1.77 -0.20 0.00 1.31 0.00 0.00 55.95 58.74 1vbd s SER 86 Cb -0.13 -2.58 -0.05 0.00 0.21 0.00 0.00 66.02 63.47 1vbd s SER 86 CO -0.02 -0.14 1.93 -0.11 0.41 0.00 0.00 173.24 175.31 1vbd n LEU 87 N 3.15 4.43 -3.38 2.44 7.94 0.11 -4.70 117.00 126.99 1vbd n LEU 87 Ca 0.04 -3.45 -0.26 0.00 -1.11 0.00 0.00 56.01 51.23 1vbd n LEU 87 Cb 0.50 -1.57 -0.08 0.00 0.53 0.00 0.00 43.42 42.80 1vbd n LEU 87 CO 0.52 -0.47 -0.10 -1.20 -1.11 0.00 0.00 177.39 175.03 1vbd n SER 88 N 9.74 2.11 -0.07 1.96 7.64 -1.26 -3.75 113.62 129.99 1vbd n SER 88 Ca 0.48 -3.08 0.19 0.00 1.01 0.00 0.00 58.87 57.48 1vbd n SER 88 Cb 0.44 -0.66 0.63 0.00 -1.01 0.00 0.00 64.21 63.60 1vbd n SER 88 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1vbd h PRO 89 N 4.32 0.14 0.00 1.43 0.13 -1.93 0.16 132.00 136.25 1vbd h PRO 89 Ca 0.15 -0.01 -0.12 0.00 -0.87 0.00 0.00 66.00 65.15 1vbd h PRO 89 Cb 0.77 -0.03 -0.02 0.00 0.13 0.00 0.00 31.00 31.84 1vbd h PRO 89 CO 0.66 0.09 -1.59 0.00 -0.23 0.00 0.00 178.00 176.93 1vbd n ALA 90 N -2.61 2.19 0.06 -0.56 0.00 -1.26 -2.91 120.51 115.42 1vbd n ALA 90 Ca 0.12 -0.58 0.04 0.00 0.00 0.00 0.00 53.44 53.01 1vbd n ALA 90 Cb 0.60 -0.84 -0.05 0.00 0.00 0.00 0.00 19.45 19.16 1vbd n ALA 90 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1vbd n SER 91 N -2.68 2.82 -4.71 0.00 3.41 -0.34 -4.41 113.62 107.71 1vbd n SER 91 Ca -0.10 -0.12 -0.42 0.00 -0.26 0.00 0.00 58.87 57.98 1vbd n SER 91 Cb 0.76 1.27 -0.03 0.00 -0.26 0.00 0.00 64.21 65.96 1vbd n SER 91 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1vbd s ASP 92 N -2.63 6.88 0.43 4.04 -1.08 -0.10 -4.84 116.67 119.37 1vbd s ASP 92 Ca -0.02 2.23 0.18 0.00 -0.52 0.00 0.00 52.55 54.43 1vbd s ASP 92 Cb 0.05 -2.58 1.11 0.00 -1.46 0.00 0.00 42.92 40.04 1vbd s ASP 92 CO 0.30 -0.63 1.89 1.55 0.52 0.00 0.00 175.17 178.80 1vbd h PRO 93 N 6.96 0.36 -0.07 4.34 0.13 -1.93 0.75 132.00 142.54 1vbd h PRO 93 Ca -0.41 -0.02 -0.17 0.00 -0.87 0.00 0.00 66.00 64.52 1vbd h PRO 93 Cb 1.21 -0.08 -0.01 0.00 0.13 0.00 0.00 31.00 32.25 1vbd h PRO 93 CO 0.86 0.24 -0.71 0.00 -0.23 0.00 0.00 178.00 178.16 1vbd h ARG 94 N 0.37 0.34 0.02 0.86 3.08 -1.91 -3.36 114.38 113.78 1vbd h ARG 94 Ca 0.42 -0.28 -0.34 0.00 0.07 0.00 0.00 59.98 59.85 1vbd h ARG 94 Cb 1.08 0.06 -0.06 0.00 0.08 0.00 0.00 29.97 31.13 1vbd h ARG 94 CO -0.14 0.92 -2.11 1.28 -1.07 0.00 0.00 179.97 178.85 1vbd n LEU 95 N -3.83 1.05 -0.02 3.04 4.77 -0.10 -3.98 117.00 117.93 1vbd n LEU 95 Ca -0.04 0.15 0.24 0.00 -0.03 0.00 0.00 56.01 56.33 1vbd n LEU 95 Cb 0.69 -0.01 0.71 0.00 -2.33 0.00 0.00 43.42 42.48 1vbd n LEU 95 CO 0.47 0.57 1.21 0.77 -1.33 0.00 0.00 177.39 179.08 1vbd h SER 96 N 0.01 0.00 -0.27 -1.43 4.64 -0.81 -1.79 113.55 113.90 1vbd h SER 96 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 1vbd h SER 96 Cb 2.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.18 1vbd h SER 96 CO 0.04 0.00 0.00 1.41 -0.87 0.00 0.00 176.83 177.41 1vbd n HIS 97 N -3.80 0.34 -1.41 4.77 8.25 -1.26 -3.30 115.22 118.81 1vbd n HIS 97 Ca 0.12 -0.24 -0.31 0.00 -0.26 0.00 0.00 57.72 57.03 1vbd n HIS 97 Cb 0.82 -0.01 0.08 0.00 1.12 0.00 0.00 29.99 32.00 1vbd n HIS 97 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1vbd s THR 98 N -1.22 3.41 0.29 1.59 -4.23 -0.67 -4.70 115.64 110.10 1vbd s THR 98 Ca 0.27 0.50 0.04 0.00 -1.18 0.00 0.00 61.69 61.32 1vbd s THR 98 Cb 0.16 -3.02 0.28 0.00 1.34 0.00 0.00 72.50 71.27 1vbd s THR 98 CO 0.23 -0.56 1.77 -0.03 -0.54 0.00 0.00 174.62 175.49 1vbd h MET 99 N -0.82 0.68 0.34 3.99 1.85 -1.93 0.85 114.93 119.89 1vbd h MET 99 Ca -0.44 -0.04 -0.01 0.00 -0.61 0.00 0.00 59.70 58.60 1vbd h MET 99 Cb 1.23 -0.15 -0.01 0.00 0.43 0.00 0.00 31.60 33.10 1vbd h MET 99 CO 0.53 0.45 -0.22 1.25 -0.40 0.00 0.00 176.91 178.51 1vbd h LEU 100 N 0.70 -0.56 -0.85 3.39 5.85 -1.87 -1.88 115.31 120.09 1vbd h LEU 100 Ca 0.55 0.04 0.06 0.00 0.84 0.00 0.00 57.88 59.37 1vbd h LEU 100 Cb 0.85 0.17 -0.06 0.00 0.37 0.00 0.00 40.66 41.99 1vbd h LEU 100 CO -0.39 -0.35 0.53 1.23 -0.34 0.00 0.00 178.44 179.12 1vbd h GLY 101 N -0.54 1.28 0.97 3.75 0.00 -1.44 -0.61 103.07 106.48 1vbd h GLY 101 Ca -0.03 -0.38 -0.01 0.00 0.00 0.00 0.00 47.33 46.91 1vbd h GLY 101 CO 0.03 0.26 0.23 0.83 0.00 0.00 0.00 176.54 177.89 1vbd h GLU 102 N 0.96 0.60 -0.54 4.80 4.39 -0.70 -1.14 114.58 122.96 1vbd h GLU 102 Ca 0.37 -0.07 -0.05 0.00 0.34 0.00 0.00 59.36 59.95 1vbd h GLU 102 Cb 0.17 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 28.68 1vbd h GLU 102 CO -0.17 0.49 0.16 0.82 -1.16 0.00 0.00 179.01 179.14 1vbd h ILE 103 N 0.56 1.24 -0.29 3.13 2.04 -0.97 -2.74 117.51 120.47 1vbd h ILE 103 Ca 0.15 -0.82 0.07 0.00 1.00 0.00 0.00 64.86 65.26 1vbd h ILE 103 Cb 0.07 0.75 -0.01 0.00 -0.74 0.00 0.00 36.82 36.88 1vbd h ILE 103 CO -0.02 0.30 0.21 -0.07 0.00 0.00 0.00 178.15 178.57 1vbd h LEU 104 N 0.75 0.09 0.00 1.44 4.07 -0.75 -0.63 115.31 120.28 1vbd h LEU 104 Ca 0.17 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.13 1vbd h LEU 104 Cb 0.30 -0.02 0.00 0.00 1.08 0.00 0.00 40.66 42.02 1vbd h LEU 104 CO -0.00 0.06 0.00 0.59 -1.08 0.00 0.00 178.44 178.00 1vbd n ASN 105 N -4.47 0.00 -1.25 -0.43 3.02 -0.46 -1.86 115.26 109.80 1vbd n ASN 105 Ca 0.04 -0.96 0.12 0.00 -0.03 0.00 0.00 54.58 53.74 1vbd n ASN 105 Cb 0.30 0.00 0.27 0.00 -0.61 0.00 0.00 39.78 39.74 1vbd n ASN 105 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1vbd n TYR 106 N -0.94 0.75 -4.07 3.10 4.01 -0.24 -3.49 117.16 116.28 1vbd n TYR 106 Ca 0.18 -0.39 -0.11 0.00 -0.16 0.00 0.00 57.90 57.42 1vbd n TYR 106 Cb 0.08 -0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 39.00 1vbd n TYR 106 CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 1vbd s TYR 107 N -1.21 0.62 -0.01 -0.72 2.02 -0.78 -0.48 117.35 116.78 1vbd s TYR 107 Ca 0.44 -0.68 0.09 0.00 -0.37 0.00 0.00 57.07 56.55 1vbd s TYR 107 Cb 0.24 -0.38 -0.23 0.00 -0.40 0.00 0.00 41.96 41.19 1vbd s TYR 107 CO 0.32 -0.16 0.78 1.15 -1.57 0.00 0.00 175.55 176.07 1vbd h THR 108 N 3.99 1.02 -3.99 -0.71 2.02 -0.31 -3.43 112.91 111.51 1vbd h THR 108 Ca -0.35 -2.83 -0.55 0.00 0.77 0.00 0.00 66.41 63.45 1vbd h THR 108 Cb 1.19 2.53 -0.31 0.00 -1.74 0.00 0.00 68.15 69.82 1vbd h THR 108 CO 0.50 0.62 -0.83 -1.00 0.37 0.00 0.00 175.52 175.18 1vbd s HIS 109 N -2.62 1.65 0.13 3.16 3.76 -0.68 -1.65 115.29 119.04 1vbd s HIS 109 Ca -0.05 -0.44 0.07 0.00 -0.15 0.00 0.00 55.06 54.50 1vbd s HIS 109 Cb 0.08 -1.10 -0.04 0.00 1.11 0.00 0.00 32.58 32.63 1vbd s HIS 109 CO 0.82 -0.13 -0.17 1.67 -0.85 0.00 0.00 174.74 176.08 1vbd s TRP 110 N -0.05 1.64 -0.07 1.40 1.48 0.03 -1.26 118.94 122.11 1vbd s TRP 110 Ca -0.02 -0.48 -0.22 0.00 -1.06 0.00 0.00 56.10 54.32 1vbd s TRP 110 Cb -0.10 -0.86 0.05 0.00 -1.16 0.00 0.00 33.47 31.40 1vbd s TRP 110 CO 0.01 0.23 0.51 0.00 -4.06 0.00 0.00 176.95 173.64 1vbd s ALA 111 N -1.81 -1.31 0.00 2.67 0.00 -0.12 -0.64 121.76 120.55 1vbd s ALA 111 Ca 0.10 1.01 0.00 0.00 0.00 0.00 0.00 51.96 53.07 1vbd s ALA 111 Cb -0.07 -0.19 0.00 0.00 0.00 0.00 0.00 23.12 22.87 1vbd s ALA 111 CO 0.05 -0.30 0.00 0.41 0.00 0.00 0.00 175.76 175.91 1vbd n GLY 112 N 1.50 1.31 3.81 0.00 0.00 -1.26 -0.51 105.19 110.03 1vbd n GLY 112 Ca -0.19 -2.16 -0.38 0.00 0.00 0.00 0.00 46.02 43.29 1vbd n GLY 112 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1vbd s SER 113 N 0.00 7.07 0.23 1.61 0.01 -1.26 -4.34 113.70 117.01 1vbd s SER 113 Ca 0.00 1.29 0.09 0.00 1.31 0.00 0.00 55.95 58.64 1vbd s SER 113 Cb 0.00 -2.37 -0.04 0.00 0.21 0.00 0.00 66.02 63.82 1vbd s SER 113 CO 0.00 0.22 -0.02 -0.76 0.41 0.00 0.00 173.24 173.10 1vbd s LEU 114 N -1.31 3.19 -0.02 2.44 1.43 -0.84 -0.90 118.68 122.68 1vbd s LEU 114 Ca 0.32 -0.56 0.01 0.00 -1.03 0.00 0.00 54.13 52.87 1vbd s LEU 114 Cb -0.19 -1.78 0.02 0.00 0.03 0.00 0.00 46.19 44.27 1vbd s LEU 114 CO 0.20 0.04 -0.02 -1.59 0.23 0.00 0.00 176.35 175.21 1vbd s LYS 115 N -3.32 0.41 -0.23 1.70 -2.85 -0.19 0.18 119.74 115.44 1vbd s LYS 115 Ca 0.29 -0.03 -0.08 0.00 -1.00 0.00 0.00 55.97 55.15 1vbd s LYS 115 Cb -0.08 -0.49 -0.03 0.00 -2.06 0.00 0.00 37.83 35.17 1vbd s LYS 115 CO 0.19 -0.05 0.07 -0.06 0.10 0.00 0.00 175.35 175.60 1vbd s PHE 116 N 0.62 3.15 -0.17 1.78 0.40 -0.18 -2.00 117.98 121.58 1vbd s PHE 116 Ca -0.07 -0.20 -0.01 0.00 -0.60 0.00 0.00 56.93 56.06 1vbd s PHE 116 Cb -0.10 -2.19 -0.00 0.00 0.51 0.00 0.00 43.02 41.24 1vbd s PHE 116 CO -0.01 -0.16 -0.13 0.99 0.70 0.00 0.00 175.22 176.62 1vbd s THR 117 N 1.16 2.86 -0.15 0.64 2.01 -0.06 -0.48 115.64 121.62 1vbd s THR 117 Ca 0.05 -0.70 -0.07 0.00 0.31 0.00 0.00 61.69 61.28 1vbd s THR 117 Cb -0.14 -2.23 -0.04 0.00 0.01 0.00 0.00 72.50 70.10 1vbd s THR 117 CO 0.03 0.50 0.09 -0.36 -0.69 0.00 0.00 174.62 174.20 1vbd s PHE 118 N 0.91 3.39 -0.23 4.92 0.08 -0.11 -0.23 117.98 126.71 1vbd s PHE 118 Ca -0.03 0.30 -0.06 0.00 0.12 0.00 0.00 56.93 57.27 1vbd s PHE 118 Cb -0.15 -2.00 -0.02 0.00 -0.57 0.00 0.00 43.02 40.28 1vbd s PHE 118 CO -0.01 0.44 0.02 -1.17 -0.10 0.00 0.00 175.22 174.40 1vbd s LEU 119 N -0.32 3.20 -0.46 -0.37 2.96 0.40 -1.29 118.68 122.81 1vbd s LEU 119 Ca 0.10 -0.28 -0.27 0.00 -0.22 0.00 0.00 54.13 53.45 1vbd s LEU 119 Cb -0.12 -1.84 0.03 0.00 0.50 0.00 0.00 46.19 44.76 1vbd s LEU 119 CO 0.01 -0.02 1.05 0.12 -1.32 0.00 0.00 176.35 176.19 1vbd s PHE 120 N 1.50 2.89 -0.52 5.38 5.36 -1.00 -1.21 117.98 130.38 1vbd s PHE 120 Ca 0.06 0.62 0.02 0.00 -0.96 0.00 0.00 56.93 56.67 1vbd s PHE 120 Cb -0.15 -4.19 0.59 0.00 -0.34 0.00 0.00 43.02 38.94 1vbd s PHE 120 CO 0.01 -1.16 1.95 0.00 -1.46 0.00 0.00 175.22 174.56 1vbd n GLY 122 N -1.05 0.24 3.87 0.00 0.00 -1.25 -4.36 105.19 102.64 1vbd n GLY 122 Ca 0.60 -1.90 -0.31 0.00 0.00 0.00 0.00 46.02 44.42 1vbd n GLY 122 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1vbd s SER 123 N -2.05 6.24 0.39 1.61 1.04 -1.26 -4.97 113.70 114.70 1vbd s SER 123 Ca 0.17 1.39 0.06 0.00 0.48 0.00 0.00 55.95 58.05 1vbd s SER 123 Cb -0.01 -2.46 0.81 0.00 0.10 0.00 0.00 66.02 64.46 1vbd s SER 123 CO 0.11 -0.84 2.04 -0.03 0.98 0.00 0.00 173.24 175.50 1vbd h MET 124 N -0.26 0.61 0.00 4.02 4.05 -1.99 -1.40 114.93 119.97 1vbd h MET 124 Ca -0.44 -0.04 0.00 0.00 -0.28 0.00 0.00 59.70 58.94 1vbd h MET 124 Cb 1.19 -0.14 0.00 0.00 -0.80 0.00 0.00 31.60 31.85 1vbd h MET 124 CO 0.62 0.41 0.00 -1.33 0.23 0.00 0.00 176.91 176.84 1vbd n MET 125 N -4.47 0.15 -2.87 0.39 2.81 -1.26 -4.73 117.12 107.15 1vbd n MET 125 Ca 0.05 0.41 -0.41 0.00 -1.81 0.00 0.00 57.70 55.94 1vbd n MET 125 Cb 0.08 -1.81 -0.04 0.00 -0.71 0.00 0.00 33.22 30.74 1vbd n MET 125 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1vbd s ALA 126 N -3.28 3.28 0.36 3.04 0.00 -0.53 -4.41 121.76 120.22 1vbd s ALA 126 Ca 0.04 0.38 0.09 0.00 0.00 0.00 0.00 51.96 52.46 1vbd s ALA 126 Cb 0.09 -3.14 -0.07 0.00 0.00 0.00 0.00 23.12 20.00 1vbd s ALA 126 CO 0.35 -0.08 -0.05 0.95 0.00 0.00 0.00 175.76 176.92 1vbd s THR 127 N 0.47 2.20 0.00 0.00 -4.23 -0.21 -4.90 115.64 108.97 1vbd s THR 127 Ca 0.44 -2.12 0.00 0.00 -1.18 0.00 0.00 61.69 58.82 1vbd s THR 127 Cb -0.20 -2.76 0.00 0.00 1.34 0.00 0.00 72.50 70.87 1vbd s THR 127 CO 0.25 -0.14 0.00 0.61 -0.54 0.00 0.00 174.62 174.79 1vbd n GLY 128 N -0.86 1.90 3.10 3.99 0.00 -1.26 -0.92 105.19 111.14 1vbd n GLY 128 Ca -0.05 -0.61 -0.30 0.00 0.00 0.00 0.00 46.02 45.06 1vbd n GLY 128 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1vbd s LYS 129 N -2.00 2.49 0.13 1.61 1.02 -1.26 -1.44 119.74 120.30 1vbd s LYS 129 Ca 0.00 -0.66 0.09 0.00 0.02 0.00 0.00 55.97 55.42 1vbd s LYS 129 Cb 0.00 -2.08 -0.04 0.00 -0.52 0.00 0.00 37.83 35.19 1vbd s LYS 129 CO 0.00 -0.05 -0.17 -0.51 -0.92 0.00 0.00 175.35 173.71 1vbd s LEU 130 N 0.93 2.74 -0.26 3.17 1.43 -0.15 -0.04 118.68 126.50 1vbd s LEU 130 Ca -0.07 -0.58 -0.05 0.00 -1.03 0.00 0.00 54.13 52.41 1vbd s LEU 130 Cb -0.15 -1.55 0.00 0.00 0.03 0.00 0.00 46.19 44.52 1vbd s LEU 130 CO -0.02 0.16 0.01 -0.22 0.23 0.00 0.00 176.35 176.52 1vbd s LEU 131 N -2.30 3.40 -0.23 1.79 0.20 0.30 -0.33 118.68 121.50 1vbd s LEU 131 Ca 0.19 -0.60 -0.10 0.00 0.69 0.00 0.00 54.13 54.31 1vbd s LEU 131 Cb -0.10 -1.80 -0.05 0.00 -0.43 0.00 0.00 46.19 43.81 1vbd s LEU 131 CO 0.11 -0.11 0.15 -0.69 -0.29 0.00 0.00 176.35 175.52 1vbd s VAL 132 N 1.47 5.34 0.13 1.68 1.01 -0.14 -0.61 120.40 129.27 1vbd s VAL 132 Ca 0.03 0.17 0.08 0.00 0.00 0.00 0.00 61.98 62.26 1vbd s VAL 132 Cb -0.16 -3.48 -0.04 0.00 0.00 0.00 0.00 36.38 32.71 1vbd s VAL 132 CO -0.01 0.37 -0.19 -0.55 0.00 0.00 0.00 175.10 174.73 1vbd s SER 133 N 0.87 2.49 -0.13 3.32 0.15 0.19 -0.89 113.70 119.70 1vbd s SER 133 Ca 0.07 -0.77 -0.02 0.00 0.70 0.00 0.00 55.95 55.93 1vbd s SER 133 Cb -0.13 -0.13 0.04 0.00 -1.71 0.00 0.00 66.02 64.09 1vbd s SER 133 CO 0.03 -0.01 0.02 -0.47 1.20 0.00 0.00 173.24 174.00 1vbd s TYR 134 N -1.67 0.82 -0.37 3.44 5.04 0.12 -1.35 117.35 123.39 1vbd s TYR 134 Ca 0.10 -0.50 -0.11 0.00 -2.44 0.00 0.00 57.07 54.13 1vbd s TYR 134 Cb -0.08 -0.91 0.02 0.00 0.35 0.00 0.00 41.96 41.35 1vbd s TYR 134 CO 0.05 -0.47 0.20 0.00 -1.34 0.00 0.00 175.55 173.99 1vbd s ALA 135 N 1.92 3.29 0.59 3.97 0.00 0.17 -1.20 121.76 130.50 1vbd s ALA 135 Ca 0.02 -1.67 -0.19 0.00 0.00 0.00 0.00 51.96 50.13 1vbd s ALA 135 Cb -0.15 -2.57 -0.05 0.00 0.00 0.00 0.00 23.12 20.35 1vbd s ALA 135 CO -0.07 -1.31 0.96 -2.30 0.00 0.00 0.00 175.76 173.04 1vbd n PRO 136 N 5.00 0.93 -0.79 0.00 -0.02 -1.26 -0.49 135.00 138.37 1vbd n PRO 136 Ca -0.12 0.36 -0.29 0.00 -2.02 0.00 0.00 63.50 61.42 1vbd n PRO 136 Cb 0.47 -2.15 0.20 0.00 -0.02 0.00 0.00 33.50 31.99 1vbd n PRO 136 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1vbd s PRO 137 N -2.69 0.18 0.00 0.52 0.04 -1.26 -4.57 135.00 127.22 1vbd s PRO 137 Ca 0.75 0.99 0.00 0.00 0.04 0.00 0.00 61.00 62.77 1vbd s PRO 137 Cb -0.43 -1.67 0.00 0.00 0.04 0.00 0.00 34.50 32.44 1vbd s PRO 137 CO 0.48 -3.03 0.00 0.41 0.04 0.00 0.00 177.00 174.90 1vbd n GLY 138 N 0.04 2.17 1.30 0.56 0.00 -1.26 -4.99 105.19 103.00 1vbd n GLY 138 Ca 0.06 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.97 1vbd n GLY 138 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vbd n ALA 139 N -0.21 0.18 -1.82 4.61 0.00 -1.26 -5.10 120.51 116.91 1vbd n ALA 139 Ca 0.00 -0.80 -0.42 0.00 0.00 0.00 0.00 53.44 52.22 1vbd n ALA 139 Cb 0.00 0.42 -0.03 0.00 0.00 0.00 0.00 19.45 19.84 1vbd n ALA 139 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1vbd s ASP 140 N -2.01 6.50 0.22 0.00 1.01 -1.26 -4.95 116.67 116.18 1vbd s ASP 140 Ca 0.02 2.66 -0.32 0.00 0.71 0.00 0.00 52.55 55.62 1vbd s ASP 140 Cb -0.00 -2.57 -0.13 0.00 1.01 0.00 0.00 42.92 41.23 1vbd s ASP 140 CO 0.01 -0.94 1.57 -2.65 0.21 0.00 0.00 175.17 173.37 1vbd n PRO 141 N 5.20 2.36 -2.00 8.23 -0.02 -1.26 -4.87 135.00 142.63 1vbd n PRO 141 Ca 0.16 0.85 -0.42 0.00 -2.02 0.00 0.00 63.50 62.07 1vbd n PRO 141 Cb 0.39 -2.60 -0.03 0.00 -0.02 0.00 0.00 33.50 31.23 1vbd n PRO 141 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1vbd s PRO 142 N 0.34 4.19 0.00 0.52 0.04 -1.26 -4.89 135.00 133.93 1vbd s PRO 142 Ca 0.72 2.20 0.11 0.00 0.04 0.00 0.00 61.00 64.08 1vbd s PRO 142 Cb -0.60 -3.92 0.22 0.00 0.04 0.00 0.00 34.50 30.24 1vbd s PRO 142 CO 0.42 -0.82 1.10 1.63 0.04 0.00 0.00 177.00 179.37 1vbd n LYS 143 N 6.87 1.92 -3.84 4.56 4.76 -1.26 -4.95 118.16 126.22 1vbd n LYS 143 Ca 0.17 -1.70 -0.12 0.00 -2.87 0.00 0.00 58.31 53.79 1vbd n LYS 143 Cb 0.42 -1.26 -0.12 0.00 -1.84 0.00 0.00 35.03 32.24 1vbd n LYS 143 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1vbd s LYS 144 N -0.99 0.28 0.32 1.97 -0.14 -1.26 -4.27 119.74 115.66 1vbd s LYS 144 Ca 0.20 0.01 0.09 0.00 -1.36 0.00 0.00 55.97 54.91 1vbd s LYS 144 Cb 0.11 0.13 0.87 0.00 -1.68 0.00 0.00 37.83 37.27 1vbd s LYS 144 CO 0.16 -0.05 1.73 -0.09 -0.76 0.00 0.00 175.35 176.33 1vbd h ARG 145 N 5.36 0.55 -0.78 1.68 2.43 -1.57 -1.78 114.38 120.27 1vbd h ARG 145 Ca -0.27 -0.03 0.09 0.00 -0.81 0.00 0.00 59.98 58.95 1vbd h ARG 145 Cb 1.20 -0.12 -0.07 0.00 -0.42 0.00 0.00 29.97 30.55 1vbd h ARG 145 CO 0.41 0.36 0.43 -0.22 -1.51 0.00 0.00 179.97 179.44 1vbd h LYS 146 N 0.56 0.72 -0.26 0.20 3.64 -1.97 0.16 116.57 119.62 1vbd h LYS 146 Ca 0.64 -0.04 -0.07 0.00 -1.27 0.00 0.00 60.65 59.90 1vbd h LYS 146 Cb 1.22 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.87 1vbd h LYS 146 CO -0.48 0.48 -0.12 0.93 -2.27 0.00 0.00 179.45 177.99 1vbd h GLU 147 N 0.74 0.54 -0.31 1.90 3.07 -1.75 -3.24 114.58 115.53 1vbd h GLU 147 Ca 0.37 -0.23 -0.08 0.00 -0.50 0.00 0.00 59.36 58.91 1vbd h GLU 147 Cb 0.32 -0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 28.20 1vbd h GLU 147 CO -0.24 0.79 -0.16 0.00 -1.40 0.00 0.00 179.01 178.00 1vbd h ALA 148 N 0.74 1.15 -1.01 3.43 0.00 -1.16 -2.89 119.26 119.52 1vbd h ALA 148 Ca 0.06 -0.30 0.22 0.00 0.00 0.00 0.00 54.91 54.89 1vbd h ALA 148 Cb 0.62 -0.14 -0.11 0.00 0.00 0.00 0.00 17.79 18.16 1vbd h ALA 148 CO 0.04 0.53 0.61 1.98 0.00 0.00 0.00 179.25 182.41 1vbd h MET 149 N 0.49 0.63 0.00 0.00 1.85 -0.73 -2.23 114.93 114.94 1vbd h MET 149 Ca 0.08 -0.04 -0.00 0.00 -0.61 0.00 0.00 59.70 59.14 1vbd h MET 149 Cb 0.57 -0.14 -0.00 0.00 0.43 0.00 0.00 31.60 32.45 1vbd h MET 149 CO 0.04 0.41 -0.00 -0.07 -0.40 0.00 0.00 176.91 176.89 1vbd h LEU 150 N 0.65 0.00 0.00 3.39 3.38 -1.58 -3.45 115.31 117.69 1vbd h LEU 150 Ca 0.61 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.58 1vbd h LEU 150 Cb 1.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.85 1vbd h LEU 150 CO -0.41 0.00 0.00 0.61 0.09 0.00 0.00 178.44 178.73 1vbd n GLY 151 N -0.47 1.99 3.67 0.83 0.00 -0.84 -5.03 105.19 105.34 1vbd n GLY 151 Ca -0.01 -2.09 -0.42 0.00 0.00 0.00 0.00 46.02 43.50 1vbd n GLY 151 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1vbd s THR 152 N 1.44 3.51 0.14 2.61 2.01 -0.34 -4.84 115.64 120.16 1vbd s THR 152 Ca 0.00 0.70 -0.13 0.00 0.31 0.00 0.00 61.69 62.57 1vbd s THR 152 Cb 0.00 -3.45 0.02 0.00 0.01 0.00 0.00 72.50 69.07 1vbd s THR 152 CO 0.00 -0.05 0.36 -1.38 -0.69 0.00 0.00 174.62 172.87 1vbd s HIS 153 N 3.68 0.02 -0.07 4.92 -0.00 -1.26 0.16 115.29 122.74 1vbd s HIS 153 Ca 0.73 -0.37 0.03 0.00 -0.00 0.00 0.00 55.06 55.44 1vbd s HIS 153 Cb -0.34 0.16 0.01 0.00 -0.00 0.00 0.00 32.58 32.41 1vbd s HIS 153 CO 0.30 -0.73 -0.15 0.08 -0.00 0.00 0.00 174.74 174.24 1vbd s VAL 154 N -3.87 1.35 -0.48 -5.38 1.01 -0.07 -4.99 120.40 107.97 1vbd s VAL 154 Ca 0.08 -0.60 -0.18 0.00 0.00 0.00 0.00 61.98 61.28 1vbd s VAL 154 Cb 0.02 -1.21 0.05 0.00 0.00 0.00 0.00 36.38 35.24 1vbd s VAL 154 CO -0.07 0.40 0.55 -0.63 0.00 0.00 0.00 175.10 175.35 1vbd s ILE 155 N 0.62 4.98 -0.28 2.22 1.01 -1.26 -0.97 121.20 127.52 1vbd s ILE 155 Ca -0.15 -0.57 -0.25 0.00 0.00 0.00 0.00 60.65 59.68 1vbd s ILE 155 Cb -0.16 -4.22 0.00 0.00 0.01 0.00 0.00 42.46 38.09 1vbd s ILE 155 CO 0.05 -0.70 0.86 0.86 0.00 0.00 0.00 174.94 176.01 1vbd s TRP 156 N 2.36 3.25 -0.30 3.97 -0.00 0.55 -4.95 118.94 123.82 1vbd s TRP 156 Ca 0.13 1.04 -0.11 0.00 -0.00 0.00 0.00 56.10 57.15 1vbd s TRP 156 Cb -0.20 -3.21 -0.03 0.00 -0.00 0.00 0.00 33.47 30.03 1vbd s TRP 156 CO 0.11 -0.52 0.18 0.34 -0.00 0.00 0.00 176.95 177.07 1vbd s ASP 157 N 1.48 5.85 0.18 5.86 2.15 -1.26 -0.98 116.67 129.96 1vbd s ASP 157 Ca 0.36 -0.21 -0.30 0.00 0.43 0.00 0.00 52.55 52.82 1vbd s ASP 157 Cb -0.14 -2.08 -0.09 0.00 -0.30 0.00 0.00 42.92 40.31 1vbd s ASP 157 CO 0.10 -0.12 1.35 -0.63 -0.17 0.00 0.00 175.17 175.71 1vbd s ILE 158 N 1.71 3.16 0.00 4.11 1.01 -0.52 -4.96 121.20 125.71 1vbd s ILE 158 Ca 0.06 0.91 0.00 0.00 0.00 0.00 0.00 60.65 61.63 1vbd s ILE 158 Cb -0.16 -3.58 0.00 0.00 0.01 0.00 0.00 42.46 38.72 1vbd s ILE 158 CO 0.09 0.12 0.00 0.61 0.00 0.00 0.00 174.94 175.76 1vbd n GLY 159 N 2.69 1.44 0.36 6.18 0.00 -1.26 -4.58 105.19 110.02 1vbd n GLY 159 Ca 0.08 -0.48 0.05 0.00 0.00 0.00 0.00 46.02 45.66 1vbd n GLY 159 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1vbd h LEU 160 N 0.00 0.96 -8.33 0.99 3.38 -1.99 -3.27 115.31 107.05 1vbd h LEU 160 Ca 0.00 0.03 -0.51 0.00 0.09 0.00 0.00 57.88 57.49 1vbd h LEU 160 Cb 0.00 -0.17 -0.07 0.00 0.09 0.00 0.00 40.66 40.51 1vbd h LEU 160 CO 0.00 0.57 1.18 -1.10 0.09 0.00 0.00 178.44 179.18 1vbd s GLN 161 N -6.00 3.04 0.43 1.13 -1.52 -1.26 -4.84 119.66 110.64 1vbd s GLN 161 Ca -0.12 -0.18 0.20 0.00 -1.95 0.00 0.00 55.36 53.31 1vbd s GLN 161 Cb 0.21 -4.56 1.16 0.00 -0.22 0.00 0.00 33.01 29.60 1vbd s GLN 161 CO 0.81 -2.46 1.84 0.66 -0.25 0.00 0.00 175.29 175.89 1vbd h SER 162 N 11.46 0.35 -3.21 5.90 4.64 -1.95 -3.45 113.55 127.28 1vbd h SER 162 Ca -0.14 0.04 -0.64 0.00 -0.47 0.00 0.00 61.79 60.58 1vbd h SER 162 Cb 1.07 -0.02 -0.16 0.00 -0.31 0.00 0.00 62.40 62.98 1vbd h SER 162 CO 1.28 0.12 -0.76 -0.44 -0.87 0.00 0.00 176.83 176.16 1vbd s SER 163 N -5.55 3.97 -0.02 4.97 0.01 -1.26 -2.39 113.70 113.44 1vbd s SER 163 Ca -0.08 -0.64 0.03 0.00 1.31 0.00 0.00 55.95 56.57 1vbd s SER 163 Cb 0.23 -0.57 -0.00 0.00 0.21 0.00 0.00 66.02 65.89 1vbd s SER 163 CO 0.79 0.12 -0.09 0.00 0.41 0.00 0.00 173.24 174.47 1vbd s THR 165 N 0.02 3.41 -0.25 0.00 2.01 -1.26 -0.93 115.64 118.63 1vbd s THR 165 Ca -0.00 -0.51 -0.07 0.00 0.31 0.00 0.00 61.69 61.42 1vbd s THR 165 Cb -0.07 -2.50 -0.03 0.00 0.01 0.00 0.00 72.50 69.92 1vbd s THR 165 CO 0.00 0.48 0.06 -0.32 -0.69 0.00 0.00 174.62 174.15 1vbd s MET 166 N 0.79 3.62 -0.11 4.92 1.75 0.37 -4.98 119.30 125.67 1vbd s MET 166 Ca -0.03 -0.49 -0.25 0.00 -1.25 0.00 0.00 55.69 53.67 1vbd s MET 166 Cb -0.15 -3.29 -0.02 0.00 2.84 0.00 0.00 34.83 34.20 1vbd s MET 166 CO 0.01 -0.19 0.80 0.08 -0.65 0.00 0.00 175.02 175.08 1vbd s VAL 167 N 1.60 4.94 -0.56 10.11 1.01 -1.26 -1.01 120.40 135.23 1vbd s VAL 167 Ca 0.06 1.62 -0.21 0.00 0.00 0.00 0.00 61.98 63.45 1vbd s VAL 167 Cb -0.15 -4.13 0.06 0.00 0.00 0.00 0.00 36.38 32.17 1vbd s VAL 167 CO 0.03 0.13 0.78 -0.69 0.00 0.00 0.00 175.10 175.35 1vbd s VAL 168 N 1.49 4.64 0.37 2.92 1.01 0.13 -4.99 120.40 125.97 1vbd s VAL 168 Ca 0.40 -0.38 -0.26 0.00 0.00 0.00 0.00 61.98 61.74 1vbd s VAL 168 Cb -0.18 -4.47 -0.09 0.00 0.00 0.00 0.00 36.38 31.64 1vbd s VAL 168 CO 0.17 -1.07 1.14 -2.16 0.00 0.00 0.00 175.10 173.18 1vbd s PRO 169 N 3.25 4.24 -0.56 2.72 0.04 -1.26 -1.98 135.00 141.45 1vbd s PRO 169 Ca 0.19 1.80 -0.26 0.00 0.04 0.00 0.00 61.00 62.77 1vbd s PRO 169 Cb -0.18 -2.80 -0.09 0.00 0.04 0.00 0.00 34.50 31.47 1vbd s PRO 169 CO 0.12 -0.15 2.42 1.87 0.04 0.00 0.00 177.00 181.31 1vbd n TRP 170 N 0.37 1.36 -3.92 0.56 -0.00 -1.26 -4.87 117.44 109.67 1vbd n TRP 170 Ca 0.03 0.10 -0.30 0.00 -0.00 0.00 0.00 57.50 57.33 1vbd n TRP 170 Cb 0.46 -2.62 -0.14 0.00 -0.00 0.00 0.00 31.31 29.01 1vbd n TRP 170 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 177.69 178.11 1vbd s ILE 171 N 12.67 2.35 0.13 5.87 1.01 -1.26 -5.00 121.20 136.97 1vbd s ILE 171 Ca 0.98 -3.05 0.04 0.00 0.00 0.00 0.00 60.65 58.63 1vbd s ILE 171 Cb -0.19 -2.65 -0.04 0.00 0.01 0.00 0.00 42.46 39.59 1vbd s ILE 171 CO 0.23 -0.78 -0.11 -0.55 0.00 0.00 0.00 174.94 173.74 1vbd s SER 172 N -0.00 1.72 -0.11 3.58 0.15 -1.26 -4.92 113.70 112.86 1vbd s SER 172 Ca 0.16 -0.94 -0.17 0.00 0.70 0.00 0.00 55.95 55.70 1vbd s SER 172 Cb -0.25 -0.01 -0.27 0.00 -1.71 0.00 0.00 66.02 63.79 1vbd s SER 172 CO -0.02 -0.29 0.56 -0.55 1.20 0.00 0.00 173.24 174.14 1vbd h ASN 173 N 3.07 0.33 -4.03 5.45 -1.07 -1.94 -3.47 115.58 113.92 1vbd h ASN 173 Ca -0.37 -0.84 -0.47 0.00 0.07 0.00 0.00 56.30 54.69 1vbd h ASN 173 Cb 1.19 -0.11 0.01 0.00 -2.07 0.00 0.00 38.32 37.34 1vbd h ASN 173 CO 0.59 1.57 0.29 0.42 0.07 0.00 0.00 177.43 180.37 1vbd s THR 174 N -2.45 4.59 0.38 6.14 -4.23 -1.26 -4.97 115.64 113.83 1vbd s THR 174 Ca -0.20 1.09 0.17 0.00 -1.18 0.00 0.00 61.69 61.56 1vbd s THR 174 Cb 0.04 -3.70 0.16 0.00 1.34 0.00 0.00 72.50 70.33 1vbd s THR 174 CO 0.75 -0.57 1.91 0.71 -0.54 0.00 0.00 174.62 176.87 1vbd h THR 175 N 1.14 1.06 -3.83 3.99 1.35 -1.98 -3.42 112.91 111.22 1vbd h THR 175 Ca -0.47 -0.99 -0.26 0.00 -0.55 0.00 0.00 66.41 64.14 1vbd h THR 175 Cb 1.18 1.56 -0.27 0.00 -1.73 0.00 0.00 68.15 68.89 1vbd h THR 175 CO 0.62 0.27 -0.73 -0.31 -0.25 0.00 0.00 175.52 175.12 1vbd s TYR 176 N -4.25 0.22 0.35 4.73 1.51 -1.26 -4.79 117.35 113.85 1vbd s TYR 176 Ca -0.03 -0.11 0.00 0.00 -1.01 0.00 0.00 57.07 55.92 1vbd s TYR 176 Cb 0.14 -0.14 -0.03 0.00 -0.11 0.00 0.00 41.96 41.82 1vbd s TYR 176 CO 0.69 -0.03 0.55 1.03 -1.11 0.00 0.00 175.55 176.68 1vbd s ARG 177 N -0.29 3.49 0.43 -0.62 0.52 0.18 -4.88 118.95 117.78 1vbd s ARG 177 Ca -0.02 -0.31 -0.13 0.00 -0.52 0.00 0.00 55.73 54.75 1vbd s ARG 177 Cb -0.02 -2.66 -0.07 0.00 0.52 0.00 0.00 34.95 32.72 1vbd s ARG 177 CO -0.00 0.15 0.84 -0.65 0.02 0.00 0.00 175.30 175.66 1vbd s GLN 178 N -4.28 3.88 -0.15 3.54 -0.21 -1.26 -0.79 119.66 120.38 1vbd s GLN 178 Ca 0.40 0.67 0.02 0.00 0.02 0.00 0.00 55.36 56.47 1vbd s GLN 178 Cb -0.10 -2.31 0.23 0.00 1.00 0.00 0.00 33.01 31.84 1vbd s GLN 178 CO 0.36 -0.09 1.28 0.25 -2.12 0.00 0.00 175.29 174.97 1vbd n THR 179 N -1.25 1.68 -4.16 -0.19 -2.24 -0.66 -4.77 114.28 102.70 1vbd n THR 179 Ca 0.04 -0.64 -0.10 0.00 -2.27 0.00 0.00 64.05 61.08 1vbd n THR 179 Cb 0.54 -0.78 -0.10 0.00 -2.10 0.00 0.00 70.33 67.88 1vbd n THR 179 CO 0.00 0.00 0.00 0.27 -0.57 0.00 0.00 175.07 174.77 1vbd s ILE 180 N -1.17 0.59 -0.06 2.28 -4.36 -1.26 -4.20 121.20 113.01 1vbd s ILE 180 Ca 0.19 -1.91 -0.30 0.00 -0.26 0.00 0.00 60.65 58.38 1vbd s ILE 180 Cb 0.16 -1.68 -0.06 0.00 1.25 0.00 0.00 42.46 42.14 1vbd s ILE 180 CO 0.04 -0.87 1.74 -1.81 0.24 0.00 0.00 174.94 174.28 1vbd s ASP 181 N -3.02 6.53 -0.23 4.36 1.01 -1.26 -4.93 116.67 119.12 1vbd s ASP 181 Ca 0.12 2.23 -0.04 0.00 0.71 0.00 0.00 52.55 55.57 1vbd s ASP 181 Cb 0.06 -2.53 0.12 0.00 1.01 0.00 0.00 42.92 41.58 1vbd s ASP 181 CO -0.05 -1.04 0.39 -0.62 0.21 0.00 0.00 175.17 174.06 1vbd s ASP 182 N 3.92 0.04 0.34 0.27 2.15 -1.26 -5.06 116.67 117.08 1vbd s ASP 182 Ca 0.78 0.48 0.13 0.00 0.43 0.00 0.00 52.55 54.37 1vbd s ASP 182 Cb -0.34 1.21 0.98 0.00 -0.30 0.00 0.00 42.92 44.47 1vbd s ASP 182 CO 0.32 -0.28 1.73 0.28 -0.17 0.00 0.00 175.17 177.05 1vbd h SER 183 N 8.18 0.59 -0.62 -0.34 0.02 -1.99 -1.65 113.55 117.74 1vbd h SER 183 Ca -0.18 0.13 -0.02 0.00 -0.84 0.00 0.00 61.79 60.87 1vbd h SER 183 Cb 1.14 0.04 -0.03 0.00 0.14 0.00 0.00 62.40 63.69 1vbd h SER 183 CO 0.22 0.06 0.30 0.15 -1.14 0.00 0.00 176.83 176.43 1vbd h PHE 184 N 0.49 0.92 -0.57 3.45 3.57 -2.00 -2.89 116.94 119.91 1vbd h PHE 184 Ca 0.65 -0.04 -0.34 0.00 3.53 0.00 0.00 57.97 61.77 1vbd h PHE 184 Cb 1.39 -0.29 -0.21 0.00 2.79 0.00 0.00 35.95 39.63 1vbd h PHE 184 CO -0.01 0.68 -0.00 0.25 -2.23 0.00 0.00 178.31 177.00 1vbd n THR 185 N -4.34 2.77 -1.91 4.41 -2.24 -0.66 -4.94 114.28 107.36 1vbd n THR 185 Ca 0.06 -2.95 -0.39 0.00 -2.27 0.00 0.00 64.05 58.50 1vbd n THR 185 Cb 0.14 -0.58 0.01 0.00 -2.10 0.00 0.00 70.33 67.80 1vbd n THR 185 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1vbd s GLU 186 N -3.40 3.74 0.00 -0.78 -1.05 -0.94 -4.62 118.70 111.65 1vbd s GLU 186 Ca 0.50 2.27 0.19 0.00 -0.15 0.00 0.00 54.97 57.78 1vbd s GLU 186 Cb 0.43 -2.64 0.02 0.00 -0.44 0.00 0.00 34.13 31.49 1vbd s GLU 186 CO 0.01 -0.72 0.99 0.41 0.95 0.00 0.00 175.26 176.90 1vbd n GLY 187 N 0.62 0.08 0.00 -3.83 0.00 -1.25 -4.74 105.19 96.08 1vbd n GLY 187 Ca 0.05 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.51 1vbd n GLY 187 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vbd n GLY 188 N 1.27 -1.54 3.01 -0.02 0.00 -1.26 -4.34 105.19 102.30 1vbd n GLY 188 Ca 0.08 -2.06 -0.26 0.00 0.00 0.00 0.00 46.02 43.78 1vbd n GLY 188 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1vbd s TYR 189 N 0.00 1.60 -0.16 1.61 2.02 0.36 -0.72 117.35 122.06 1vbd s TYR 189 Ca 0.00 -0.68 -0.10 0.00 -0.37 0.00 0.00 57.07 55.92 1vbd s TYR 189 Cb 0.00 -1.20 -0.05 0.00 -0.40 0.00 0.00 41.96 40.32 1vbd s TYR 189 CO 0.00 -0.38 0.16 0.42 -1.57 0.00 0.00 175.55 174.18 1vbd s ILE 190 N 0.98 5.42 -0.09 2.71 1.09 0.23 -0.65 121.20 130.89 1vbd s ILE 190 Ca -0.08 0.27 -0.10 0.00 -1.10 0.00 0.00 60.65 59.63 1vbd s ILE 190 Cb -0.15 -3.47 0.03 0.00 -1.06 0.00 0.00 42.46 37.80 1vbd s ILE 190 CO -0.00 0.51 0.28 -0.94 -0.10 0.00 0.00 174.94 174.68 1vbd s SER 191 N -0.19 -0.26 -0.06 3.58 1.04 -0.46 -0.35 113.70 117.00 1vbd s SER 191 Ca 0.12 0.46 0.02 0.00 0.48 0.00 0.00 55.95 57.03 1vbd s SER 191 Cb -0.12 0.52 -0.03 0.00 0.10 0.00 0.00 66.02 66.49 1vbd s SER 191 CO 0.01 -0.16 -0.10 -0.69 0.98 0.00 0.00 173.24 173.28 1vbd s VAL 192 N -0.15 3.44 0.13 5.02 1.01 -0.78 -0.64 120.40 128.43 1vbd s VAL 192 Ca -0.03 -0.58 0.04 0.00 0.00 0.00 0.00 61.98 61.41 1vbd s VAL 192 Cb -0.03 -2.38 -0.04 0.00 0.00 0.00 0.00 36.38 33.92 1vbd s VAL 192 CO 0.01 0.60 -0.09 -0.36 0.00 0.00 0.00 175.10 175.25 1vbd s PHE 193 N -0.78 1.18 -0.26 5.22 0.40 0.22 -0.43 117.98 123.53 1vbd s PHE 193 Ca 0.12 -0.79 -0.26 0.00 -0.60 0.00 0.00 56.93 55.40 1vbd s PHE 193 Cb -0.11 -0.61 0.00 0.00 0.51 0.00 0.00 43.02 42.81 1vbd s PHE 193 CO 0.01 0.03 0.91 0.71 0.70 0.00 0.00 175.22 177.58 1vbd s TYR 194 N -3.36 3.29 -0.09 0.36 2.02 -1.26 -0.54 117.35 117.76 1vbd s TYR 194 Ca 0.15 1.20 -0.27 0.00 -0.37 0.00 0.00 57.07 57.78 1vbd s TYR 194 Cb 0.03 -3.21 -0.24 0.00 -0.40 0.00 0.00 41.96 38.14 1vbd s TYR 194 CO -0.01 -0.49 0.96 0.37 -1.57 0.00 0.00 175.55 174.81 1vbd h GLN 195 N 7.72 0.06 0.00 -0.62 5.75 -0.73 -3.45 115.11 123.83 1vbd h GLN 195 Ca -0.22 -0.06 0.00 0.00 -0.15 0.00 0.00 58.65 58.22 1vbd h GLN 195 Cb 1.08 0.02 0.00 0.00 1.07 0.00 0.00 27.48 29.65 1vbd h GLN 195 CO 0.92 0.87 0.00 0.25 -2.65 0.00 0.00 178.83 178.23 1vbd n THR 196 N -4.62 0.00 -3.65 2.39 -2.24 -1.05 -5.03 114.28 100.08 1vbd n THR 196 Ca -0.10 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.62 1vbd n THR 196 Cb 0.44 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.66 1vbd n THR 196 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1vbd s ARG 197 N 1.06 1.14 -0.09 -0.78 1.70 -1.26 -4.50 118.95 116.22 1vbd s ARG 197 Ca 0.00 -0.56 -0.29 0.00 -0.47 0.00 0.00 55.73 54.41 1vbd s ARG 197 Cb 0.00 0.44 -0.01 0.00 -0.57 0.00 0.00 34.95 34.80 1vbd s ARG 197 CO 0.00 -0.52 1.00 0.42 -1.08 0.00 0.00 175.30 175.12 1vbd s ILE 198 N -3.34 4.80 -0.15 4.99 -1.09 -1.26 -4.08 121.20 121.07 1vbd s ILE 198 Ca 0.09 2.03 0.01 0.00 -2.23 0.00 0.00 60.65 60.55 1vbd s ILE 198 Cb -0.02 -4.31 0.00 0.00 -1.58 0.00 0.00 42.46 36.56 1vbd s ILE 198 CO -0.02 0.02 -0.17 -0.69 -1.23 0.00 0.00 174.94 172.85 1vbd s VAL 199 N 1.89 2.51 0.28 2.92 1.01 -0.10 -4.25 120.40 124.67 1vbd s VAL 199 Ca 0.48 -0.82 0.10 0.00 0.00 0.00 0.00 61.98 61.74 1vbd s VAL 199 Cb -0.19 -2.05 -0.05 0.00 0.00 0.00 0.00 36.38 34.10 1vbd s VAL 199 CO 0.19 0.52 -0.08 0.68 0.00 0.00 0.00 175.10 176.41 1vbd s VAL 200 N 0.79 2.97 0.60 2.92 -7.23 -1.26 -1.04 120.40 118.15 1vbd s VAL 200 Ca -0.06 -2.12 -0.06 0.00 -1.81 0.00 0.00 61.98 57.93 1vbd s VAL 200 Cb -0.15 -2.62 0.13 0.00 0.56 0.00 0.00 36.38 34.29 1vbd s VAL 200 CO -0.00 -0.37 0.81 -0.81 -0.31 0.00 0.00 175.10 174.43 1vbd n PRO 201 N -0.79 -0.43 -0.99 4.82 -0.04 -1.26 -5.05 135.00 131.26 1vbd n PRO 201 Ca -0.06 -1.64 -0.29 0.00 -0.04 0.00 0.00 63.50 61.47 1vbd n PRO 201 Cb 0.60 -0.72 0.17 0.00 -0.04 0.00 0.00 33.50 33.51 1vbd n PRO 201 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1vbd s LEU 202 N 0.00 1.90 -1.80 1.53 1.43 -1.26 -3.69 118.68 116.78 1vbd s LEU 202 Ca 0.49 1.53 0.00 0.00 -1.03 0.00 0.00 54.13 55.12 1vbd s LEU 202 Cb -0.02 -3.79 0.00 0.00 0.03 0.00 0.00 46.19 42.41 1vbd s LEU 202 CO 0.34 -3.13 0.00 -1.20 0.23 0.00 0.00 176.35 172.59 1vbd n SER 203 N -4.21 -4.97 -4.11 2.29 7.64 -1.26 -4.96 113.62 104.04 1vbd n SER 203 Ca 0.06 0.31 -0.23 0.00 1.01 0.00 0.00 58.87 60.02 1vbd n SER 203 Cb 0.55 -4.34 -0.15 0.00 -1.01 0.00 0.00 64.21 59.25 1vbd n SER 203 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1vbd s THR 204 N -2.67 1.18 0.12 0.44 2.01 -1.24 -5.11 115.64 110.37 1vbd s THR 204 Ca 0.00 -0.62 -0.31 0.00 0.31 0.00 0.00 61.69 61.07 1vbd s THR 204 Cb 0.00 -1.00 -0.11 0.00 0.01 0.00 0.00 72.50 71.41 1vbd s THR 204 CO 0.00 0.34 1.84 -2.65 -0.69 0.00 0.00 174.62 173.46 1vbd n PRO 205 N 2.87 2.79 0.00 4.92 -0.02 -1.26 -4.89 135.00 139.40 1vbd n PRO 205 Ca -0.16 1.01 0.11 0.00 -2.02 0.00 0.00 63.50 62.45 1vbd n PRO 205 Cb 0.54 -2.91 0.51 0.00 -0.02 0.00 0.00 33.50 31.62 1vbd n PRO 205 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1vbd n ARG 206 N 5.66 0.02 -4.93 -0.52 1.74 -1.26 -4.75 116.66 112.62 1vbd n ARG 206 Ca 0.18 0.09 -0.27 0.00 -0.77 0.00 0.00 57.85 57.09 1vbd n ARG 206 Cb 0.37 -1.50 -0.16 0.00 -1.02 0.00 0.00 32.46 30.15 1vbd n ARG 206 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1vbd s GLU 207 N -2.97 1.76 0.17 5.56 2.02 -1.26 -0.88 118.70 123.09 1vbd s GLU 207 Ca 0.12 -0.68 -0.08 0.00 0.02 0.00 0.00 54.97 54.35 1vbd s GLU 207 Cb 0.15 -1.60 -0.01 0.00 0.10 0.00 0.00 34.13 32.77 1vbd s GLU 207 CO 0.42 0.34 0.26 0.00 0.02 0.00 0.00 175.26 176.31 1vbd s MET 208 N -0.22 1.18 0.03 1.61 0.23 -0.98 -5.01 119.30 116.13 1vbd s MET 208 Ca 0.02 -1.25 0.03 0.00 -1.03 0.00 0.00 55.69 53.45 1vbd s MET 208 Cb -0.10 0.36 -0.04 0.00 -1.53 0.00 0.00 34.83 33.53 1vbd s MET 208 CO 0.01 -0.42 -0.00 -0.51 -2.03 0.00 0.00 175.02 172.06 1vbd s ASP 209 N -3.00 5.07 -0.03 -1.18 1.01 -1.26 -0.55 116.67 116.73 1vbd s ASP 209 Ca 0.20 -0.07 0.06 0.00 0.71 0.00 0.00 52.55 53.45 1vbd s ASP 209 Cb 0.04 -1.28 -0.02 0.00 1.01 0.00 0.00 42.92 42.67 1vbd s ASP 209 CO 0.02 0.24 -0.21 0.27 0.21 0.00 0.00 175.17 175.71 1vbd s ILE 210 N -1.16 2.51 0.03 0.77 -4.36 0.15 -0.75 121.20 118.38 1vbd s ILE 210 Ca 0.22 -0.96 0.01 0.00 -0.26 0.00 0.00 60.65 59.66 1vbd s ILE 210 Cb -0.12 -1.93 -0.04 0.00 1.25 0.00 0.00 42.46 41.62 1vbd s ILE 210 CO 0.13 0.57 0.06 -0.76 0.24 0.00 0.00 174.94 175.18 1vbd s LEU 211 N -0.72 3.79 0.05 0.37 1.43 -0.35 -1.13 118.68 122.12 1vbd s LEU 211 Ca 0.11 0.06 0.08 0.00 -1.03 0.00 0.00 54.13 53.35 1vbd s LEU 211 Cb -0.10 -2.30 -0.03 0.00 0.03 0.00 0.00 46.19 43.79 1vbd s LEU 211 CO 0.00 0.24 -0.22 -0.83 0.23 0.00 0.00 176.35 175.76 1vbd s GLY 212 N -1.94 1.22 0.05 -3.19 0.00 -1.26 -0.45 107.32 101.74 1vbd s GLY 212 Ca 0.25 -1.15 0.06 0.00 0.00 0.00 0.00 44.72 43.88 1vbd s GLY 212 CO 0.16 -1.07 -0.17 -1.36 0.00 0.00 0.00 173.10 170.66 1vbd s PHE 213 N -0.85 1.44 0.02 1.90 0.40 0.68 -0.66 117.98 120.90 1vbd s PHE 213 Ca 0.09 -0.38 0.05 0.00 -0.60 0.00 0.00 56.93 56.09 1vbd s PHE 213 Cb -0.09 -0.84 -0.02 0.00 0.51 0.00 0.00 43.02 42.58 1vbd s PHE 213 CO 0.02 0.07 -0.16 0.54 0.70 0.00 0.00 175.22 176.39 1vbd s VAL 214 N -0.92 1.30 0.10 -0.44 0.11 -0.53 -0.88 120.40 119.14 1vbd s VAL 214 Ca 0.03 -0.89 -0.16 0.00 -2.93 0.00 0.00 61.98 58.03 1vbd s VAL 214 Cb -0.09 -1.12 0.03 0.00 -1.53 0.00 0.00 36.38 33.67 1vbd s VAL 214 CO 0.02 0.22 0.39 -0.94 -3.33 0.00 0.00 175.10 171.45 1vbd s SER 215 N -0.77 -0.22 0.22 3.54 1.04 -0.85 -2.08 113.70 114.58 1vbd s SER 215 Ca 0.05 -0.25 -0.20 0.00 0.48 0.00 0.00 55.95 56.03 1vbd s SER 215 Cb -0.07 0.45 -0.08 0.00 0.10 0.00 0.00 66.02 66.41 1vbd s SER 215 CO 0.00 -0.78 0.73 0.00 0.98 0.00 0.00 173.24 174.18 1vbd s ALA 216 N -3.38 3.41 0.78 5.32 0.00 0.16 -1.03 121.76 127.02 1vbd s ALA 216 Ca 0.00 0.19 -0.12 0.00 0.00 0.00 0.00 51.96 52.04 1vbd s ALA 216 Cb 0.01 -2.84 0.06 0.00 0.00 0.00 0.00 23.12 20.35 1vbd s ALA 216 CO -0.09 0.32 1.15 0.00 0.00 0.00 0.00 175.76 177.14 1vbd n ASN 218 N -3.22 0.00 -1.61 0.00 2.04 -1.26 -1.77 115.26 109.44 1vbd n ASN 218 Ca 0.08 0.16 0.09 0.00 -0.44 0.00 0.00 54.58 54.47 1vbd n ASN 218 Cb 0.60 -0.26 0.36 0.00 -2.53 0.00 0.00 39.78 37.95 1vbd n ASN 218 CO 0.00 0.00 0.00 -0.90 -0.44 0.00 0.00 177.26 175.92 1vbd n ASP 219 N -1.26 4.79 -4.76 0.53 5.75 -1.26 -4.98 116.55 115.36 1vbd n ASP 219 Ca 0.03 -2.46 -0.37 0.00 -0.01 0.00 0.00 54.79 51.98 1vbd n ASP 219 Cb 0.05 -0.59 -0.06 0.00 -1.03 0.00 0.00 41.12 39.49 1vbd n ASP 219 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 1vbd s PHE 220 N -1.89 3.55 0.07 2.11 2.19 -0.73 -4.25 117.98 119.03 1vbd s PHE 220 Ca 0.51 0.78 -0.07 0.00 0.33 0.00 0.00 56.93 58.48 1vbd s PHE 220 Cb 0.33 -2.37 -0.01 0.00 -1.31 0.00 0.00 43.02 39.66 1vbd s PHE 220 CO 0.24 0.35 0.13 -1.54 1.83 0.00 0.00 175.22 176.23 1vbd s SER 221 N 0.04 0.20 0.11 6.13 1.04 0.33 -5.00 113.70 116.55 1vbd s SER 221 Ca 0.21 -0.68 0.05 0.00 0.48 0.00 0.00 55.95 56.01 1vbd s SER 221 Cb -0.14 0.29 -0.04 0.00 0.10 0.00 0.00 66.02 66.23 1vbd s SER 221 CO 0.08 -0.65 -0.12 0.68 0.98 0.00 0.00 173.24 174.22 1vbd s VAL 222 N -3.54 1.10 0.33 5.02 -7.23 -1.26 -0.94 120.40 113.88 1vbd s VAL 222 Ca 0.03 -1.70 -0.10 0.00 -1.81 0.00 0.00 61.98 58.40 1vbd s VAL 222 Cb 0.04 -1.45 0.02 0.00 0.56 0.00 0.00 36.38 35.54 1vbd s VAL 222 CO -0.09 -0.52 0.59 0.00 -0.31 0.00 0.00 175.10 174.77 1vbd s ARG 223 N -2.81 1.93 -0.35 4.82 1.70 -0.39 -5.01 118.95 118.85 1vbd s ARG 223 Ca 0.07 -1.51 -0.15 0.00 -0.47 0.00 0.00 55.73 53.67 1vbd s ARG 223 Cb -0.03 0.52 0.02 0.00 -0.57 0.00 0.00 34.95 34.88 1vbd s ARG 223 CO 0.01 -0.84 0.39 -0.11 -1.08 0.00 0.00 175.30 173.67 1vbd n LEU 224 N -0.51 -6.35 -4.71 -1.89 0.00 -1.26 -1.69 117.00 100.58 1vbd n LEU 224 Ca -0.03 0.61 -0.43 0.00 0.00 0.00 0.00 56.01 56.17 1vbd n LEU 224 Cb 0.61 -2.81 -0.02 0.00 0.00 0.00 0.00 43.42 41.20 1vbd n LEU 224 CO 0.26 -2.00 1.12 -0.11 0.00 0.00 0.00 177.39 176.66 1vbd n LEU 225 N 0.18 3.82 -4.00 -1.96 7.94 -1.26 -0.65 117.00 121.07 1vbd n LEU 225 Ca 0.03 1.15 -0.10 0.00 -1.11 0.00 0.00 56.01 55.99 1vbd n LEU 225 Cb 0.39 -1.52 -0.07 0.00 0.53 0.00 0.00 43.42 42.75 1vbd n LEU 225 CO 0.43 -0.15 -0.04 0.00 -1.11 0.00 0.00 177.39 176.51 1vbd s ARG 226 N -0.65 1.17 0.23 1.96 1.70 0.36 -4.86 118.95 118.86 1vbd s ARG 226 Ca 0.64 -1.23 -0.30 0.00 -0.47 0.00 0.00 55.73 54.37 1vbd s ARG 226 Cb -0.56 0.36 -0.09 0.00 -0.57 0.00 0.00 34.95 34.10 1vbd s ARG 226 CO 0.51 -0.42 0.99 -0.51 -1.08 0.00 0.00 175.30 174.79 1vbd s ASP 227 N -2.99 7.52 0.50 -2.89 1.01 -1.26 -4.38 116.67 114.17 1vbd s ASP 227 Ca 0.20 2.02 -0.17 0.00 0.71 0.00 0.00 52.55 55.31 1vbd s ASP 227 Cb 0.04 -2.61 -0.08 0.00 1.01 0.00 0.00 42.92 41.27 1vbd s ASP 227 CO 0.02 0.04 0.97 0.28 0.21 0.00 0.00 175.17 176.68 1vbd s THR 228 N -1.00 4.53 -1.89 -1.27 -1.32 -1.23 -4.87 115.64 108.60 1vbd s THR 228 Ca 0.43 1.22 0.25 0.00 -1.21 0.00 0.00 61.69 62.38 1vbd s THR 228 Cb -0.27 -3.71 0.19 0.00 -1.51 0.00 0.00 72.50 67.20 1vbd s THR 228 CO 0.34 -0.63 1.42 0.35 -2.21 0.00 0.00 174.62 173.89 1vbd n THR 229 N -1.44 0.00 1.98 5.08 -2.24 -1.26 -4.40 114.28 112.00 1vbd n THR 229 Ca 0.06 -0.18 0.01 0.00 -2.27 0.00 0.00 64.05 61.67 1vbd n THR 229 Cb 0.54 0.68 0.04 0.00 -2.10 0.00 0.00 70.33 69.49 1vbd n THR 229 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1vbd n HIS 230 N -0.40 0.00 -3.67 4.78 8.25 -1.26 -4.71 115.22 118.21 1vbd n HIS 230 Ca 0.12 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.43 1vbd n HIS 230 Cb 0.39 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.42 1vbd n HIS 230 CO 0.00 0.00 0.00 -1.50 0.64 0.00 0.00 176.34 175.48 1vbd s ILE 231 N -2.00 0.00 0.24 1.59 1.10 -1.26 -5.19 121.20 115.69 1vbd s ILE 231 Ca 0.02 -0.03 -0.11 0.00 -0.51 0.00 0.00 60.65 60.01 1vbd s ILE 231 Cb 0.01 -0.81 -0.01 0.00 0.15 0.00 0.00 42.46 41.80 1vbd s ILE 231 CO 0.02 -0.02 0.43 -1.83 -2.11 0.00 0.00 174.94 171.43 1vbd s GLU 232 N 0.01 1.51 -0.49 3.50 -1.05 -1.26 -4.96 118.70 115.97 1vbd s GLU 232 Ca -0.02 -1.31 0.08 0.00 -0.15 0.00 0.00 54.97 53.57 1vbd s GLU 232 Cb -0.04 0.45 0.31 0.00 -0.44 0.00 0.00 34.13 34.41 1vbd s GLU 232 CO 0.02 -0.62 0.75 0.94 0.95 0.00 0.00 175.26 177.31 1vbd n GLN 233 N -0.37 1.88 -1.75 -4.83 7.27 -1.26 -5.06 117.38 113.25 1vbd n GLN 233 Ca -0.01 -4.03 -0.42 0.00 0.07 0.00 0.00 57.00 52.61 1vbd n GLN 233 Cb 0.62 -1.86 -0.03 0.00 2.41 0.00 0.00 30.24 31.38 1vbd n GLN 233 CO 0.00 0.00 0.00 0.21 0.07 0.00 0.00 177.06 177.34 1vbd s LYS 234 N -2.48 3.79 0.00 3.69 2.47 -1.26 -5.37 119.74 120.58 1vbd s LYS 234 Ca 0.42 2.26 0.00 0.00 -1.56 0.00 0.00 55.97 57.08 1vbd s LYS 234 Cb 0.25 -4.19 0.00 0.00 -1.46 0.00 0.00 37.83 32.43 1vbd s LYS 234 CO -0.09 -1.34 0.00 0.00 0.16 0.00 0.00 175.35 174.08