#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vbe s LEU 2 N 0.00 4.38 -0.15 0.99 2.96 -1.26 -4.96 118.68 120.64 1vbe s LEU 2 Ca 0.00 2.50 -0.29 0.00 -0.22 0.00 0.00 54.13 56.12 1vbe s LEU 2 Cb 0.00 -3.54 -0.06 0.00 0.50 0.00 0.00 46.19 43.09 1vbe s LEU 2 CO 0.00 -0.96 2.05 -2.84 -1.32 0.00 0.00 176.35 173.28 1vbe s PRO 3 N 3.61 3.50 0.23 0.98 0.02 -1.26 -5.00 135.00 137.10 1vbe s PRO 3 Ca 0.79 2.11 0.11 0.00 0.02 0.00 0.00 61.00 64.03 1vbe s PRO 3 Cb -0.39 -4.26 -0.05 0.00 0.02 0.00 0.00 34.50 29.81 1vbe s PRO 3 CO 0.35 -1.68 -0.21 0.14 -0.33 0.00 0.00 177.00 175.27 1vbe s VAL 4 N 6.78 2.33 -0.16 3.83 -7.23 -1.26 -5.13 120.40 119.56 1vbe s VAL 4 Ca 0.92 -2.22 -0.01 0.00 -1.81 0.00 0.00 61.98 58.86 1vbe s VAL 4 Cb -0.34 -2.18 0.04 0.00 0.56 0.00 0.00 36.38 34.46 1vbe s VAL 4 CO 0.36 -0.30 -0.01 -0.22 -0.31 0.00 0.00 175.10 174.62 1vbe s LEU 5 N -3.12 1.26 0.00 1.32 0.20 -1.26 -5.10 118.68 111.98 1vbe s LEU 5 Ca 0.25 -0.59 -0.30 0.00 0.69 0.00 0.00 54.13 54.18 1vbe s LEU 5 Cb -0.06 -0.71 -0.08 0.00 -0.43 0.00 0.00 46.19 44.91 1vbe s LEU 5 CO 0.12 -0.23 1.90 0.20 -0.29 0.00 0.00 176.35 178.05 1vbe s ASN 6 N 1.78 6.46 0.40 3.68 0.01 -1.26 -5.01 114.94 121.00 1vbe s ASN 6 Ca 0.01 2.52 -0.05 0.00 -0.71 0.00 0.00 52.86 54.64 1vbe s ASN 6 Cb -0.15 -2.53 -0.04 0.00 0.41 0.00 0.00 41.25 38.93 1vbe s ASN 6 CO -0.07 -1.06 0.68 0.42 -1.51 0.00 0.00 177.10 175.56 1vbe s THR 7 N 4.53 4.96 0.58 1.60 -4.23 -1.26 -5.02 115.64 116.80 1vbe s THR 7 Ca 0.85 0.09 -0.18 0.00 -1.18 0.00 0.00 61.69 61.27 1vbe s THR 7 Cb -0.40 -3.82 -0.10 0.00 1.34 0.00 0.00 72.50 69.53 1vbe s THR 7 CO 0.38 -0.63 0.34 -2.65 -0.54 0.00 0.00 174.62 171.53 1vbe n PRO 8 N -1.74 0.35 0.00 3.99 -0.02 -1.26 -2.33 135.00 134.00 1vbe n PRO 8 Ca -0.01 0.14 0.00 0.00 -2.02 0.00 0.00 63.50 61.61 1vbe n PRO 8 Cb 0.55 -1.53 0.00 0.00 -0.02 0.00 0.00 33.50 32.50 1vbe n PRO 8 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1vbe n GLY 9 N 1.98 3.24 3.62 -1.23 0.00 -1.26 -5.03 105.19 106.50 1vbe n GLY 9 Ca 0.10 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.62 1vbe n GLY 9 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1vbe n SER 10 N 0.05 2.12 -0.47 1.61 7.64 -0.98 -2.17 113.62 121.40 1vbe n SER 10 Ca 0.00 1.11 -0.06 0.00 1.01 0.00 0.00 58.87 60.93 1vbe n SER 10 Cb 0.00 -1.27 -0.03 0.00 -1.01 0.00 0.00 64.21 61.90 1vbe n SER 10 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1vbe n ASN 11 N 2.78 -4.63 -4.93 6.43 3.02 -1.26 -5.03 115.26 111.64 1vbe n ASN 11 Ca 0.18 0.15 -0.26 0.00 -0.03 0.00 0.00 54.58 54.62 1vbe n ASN 11 Cb 0.23 -2.67 0.03 0.00 -0.61 0.00 0.00 39.78 36.76 1vbe n ASN 11 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1vbe s GLN 12 N -2.10 2.88 -0.20 3.52 -2.07 -0.92 -5.08 119.66 115.68 1vbe s GLN 12 Ca 0.00 -0.16 0.01 0.00 -1.82 0.00 0.00 55.36 53.40 1vbe s GLN 12 Cb 0.00 -2.33 0.04 0.00 -1.09 0.00 0.00 33.01 29.63 1vbe s GLN 12 CO 0.00 -0.66 -0.15 -0.47 -1.32 0.00 0.00 175.29 172.70 1vbe s TYR 13 N -2.91 2.75 -0.30 9.60 5.04 -1.26 -5.09 117.35 125.16 1vbe s TYR 13 Ca 0.53 -1.76 -0.08 0.00 -2.44 0.00 0.00 57.07 53.32 1vbe s TYR 13 Cb -0.10 -1.82 -0.00 0.00 0.35 0.00 0.00 41.96 40.39 1vbe s TYR 13 CO 0.43 -0.80 0.12 -1.17 -1.34 0.00 0.00 175.55 172.80 1vbe s LEU 14 N 1.29 3.98 0.41 6.97 2.96 -1.26 -4.98 118.68 128.05 1vbe s LEU 14 Ca -0.00 -0.60 0.24 0.00 -0.22 0.00 0.00 54.13 53.54 1vbe s LEU 14 Cb -0.16 -1.95 1.26 0.00 0.50 0.00 0.00 46.19 45.85 1vbe s LEU 14 CO -0.09 -0.19 1.68 0.74 -1.32 0.00 0.00 176.35 177.17 1vbe h THR 15 N 5.75 0.29 -0.16 3.68 2.02 -2.08 0.71 112.91 123.12 1vbe h THR 15 Ca -0.32 -0.08 0.00 0.00 0.77 0.00 0.00 66.41 66.78 1vbe h THR 15 Cb 1.14 0.04 0.00 0.00 -1.74 0.00 0.00 68.15 67.59 1vbe h THR 15 CO 0.61 0.04 0.00 -1.20 0.37 0.00 0.00 175.52 175.34 1vbe n SER 16 N -4.72 0.90 -4.89 4.18 7.64 -1.26 -4.98 113.62 110.50 1vbe n SER 16 Ca 0.32 -1.97 -0.30 0.00 1.01 0.00 0.00 58.87 57.93 1vbe n SER 16 Cb 1.16 -0.11 0.04 0.00 -1.01 0.00 0.00 64.21 64.29 1vbe n SER 16 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 1vbe s ASP 17 N -1.04 5.54 -0.52 6.43 -4.77 0.24 -5.05 116.67 117.51 1vbe s ASP 17 Ca 0.13 1.11 0.03 0.00 -3.30 0.00 0.00 52.55 50.52 1vbe s ASP 17 Cb 0.07 -1.96 0.15 0.00 -1.09 0.00 0.00 42.92 40.09 1vbe s ASP 17 CO 0.09 -1.26 0.33 0.21 0.70 0.00 0.00 175.17 175.24 1vbe s ASN 18 N -4.34 3.65 0.08 2.11 2.47 -1.26 -5.09 114.94 112.57 1vbe s ASN 18 Ca 0.57 -3.09 0.03 0.00 0.42 0.00 0.00 52.86 50.80 1vbe s ASN 18 Cb -0.11 -1.16 -0.03 0.00 -1.45 0.00 0.00 41.25 38.50 1vbe s ASN 18 CO 0.51 -0.19 -0.10 -1.00 -3.72 0.00 0.00 177.10 172.60 1vbe s HIS 19 N -0.27 0.98 0.63 0.43 3.76 -1.26 -5.14 115.29 114.41 1vbe s HIS 19 Ca 0.22 -0.62 -0.17 0.00 -0.15 0.00 0.00 55.06 54.35 1vbe s HIS 19 Cb -0.14 -0.55 -0.02 0.00 1.11 0.00 0.00 32.58 32.99 1vbe s HIS 19 CO -0.08 -0.02 1.16 -0.65 -0.85 0.00 0.00 174.74 174.29 1vbe s GLN 20 N -2.48 2.85 -0.01 1.40 -0.21 -1.26 -5.08 119.66 114.88 1vbe s GLN 20 Ca 0.02 1.62 -0.23 0.00 0.02 0.00 0.00 55.36 56.79 1vbe s GLN 20 Cb -0.05 -1.94 0.05 0.00 1.00 0.00 0.00 33.01 32.08 1vbe s GLN 20 CO -0.00 -1.25 0.51 -1.54 -2.12 0.00 0.00 175.29 170.88 1vbe s SER 21 N -2.04 -0.43 0.24 5.90 1.04 -1.26 -5.15 113.70 112.00 1vbe s SER 21 Ca 0.72 0.33 -0.31 0.00 0.48 0.00 0.00 55.95 57.17 1vbe s SER 21 Cb -0.25 0.45 -0.13 0.00 0.10 0.00 0.00 66.02 66.19 1vbe s SER 21 CO 0.37 -0.60 1.45 -0.81 0.98 0.00 0.00 173.24 174.63 1vbe n PRO 22 N 0.84 2.14 -2.48 4.02 -0.04 -1.26 -4.94 135.00 133.28 1vbe n PRO 22 Ca -0.19 0.76 -0.43 0.00 -0.04 0.00 0.00 63.50 63.60 1vbe n PRO 22 Cb 0.58 -2.45 -0.02 0.00 -0.04 0.00 0.00 33.50 31.57 1vbe n PRO 22 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1vbe h ALA 24 N 9.19 1.14 -2.99 0.00 0.00 -2.09 -3.32 119.26 121.19 1vbe h ALA 24 Ca -0.25 -0.05 -0.62 0.00 0.00 0.00 0.00 54.91 53.99 1vbe h ALA 24 Cb 1.09 -0.01 -0.41 0.00 0.00 0.00 0.00 17.79 18.46 1vbe h ALA 24 CO 1.05 0.07 -0.65 0.42 0.00 0.00 0.00 179.25 180.14 1vbe s ILE 25 N -4.05 2.36 0.71 0.00 1.01 -1.26 -5.12 121.20 114.85 1vbe s ILE 25 Ca -0.02 -3.82 -0.15 0.00 0.00 0.00 0.00 60.65 56.66 1vbe s ILE 25 Cb 0.12 -2.57 0.03 0.00 0.01 0.00 0.00 42.46 40.05 1vbe s ILE 25 CO 0.53 -1.02 1.16 -2.16 0.00 0.00 0.00 174.94 173.46 1vbe s PRO 26 N -1.00 2.34 -1.03 2.79 0.04 -1.25 -3.71 135.00 133.19 1vbe s PRO 26 Ca 0.25 1.59 0.00 0.00 0.04 0.00 0.00 61.00 62.88 1vbe s PRO 26 Cb -0.06 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 32.60 1vbe s PRO 26 CO -0.15 -1.64 0.00 0.39 0.04 0.00 0.00 177.00 175.64 1vbe n GLU 27 N -2.69 -1.30 -1.80 4.56 -0.58 -1.26 -4.92 120.64 112.64 1vbe n GLU 27 Ca 0.12 0.57 -0.42 0.00 -0.42 0.00 0.00 57.16 57.01 1vbe n GLU 27 Cb 0.51 -4.78 -0.03 0.00 -0.57 0.00 0.00 31.44 26.57 1vbe n GLU 27 CO 0.00 0.00 0.00 0.12 -0.48 0.00 0.00 177.13 176.77 1vbe s PHE 28 N -1.88 2.78 -1.01 -0.32 5.36 -1.24 -4.92 117.98 116.75 1vbe s PHE 28 Ca 0.00 0.36 -0.23 0.00 -0.96 0.00 0.00 56.93 56.10 1vbe s PHE 28 Cb 0.00 -4.07 0.02 0.00 -0.34 0.00 0.00 43.02 38.63 1vbe s PHE 28 CO 0.00 -4.12 1.62 0.34 -1.46 0.00 0.00 175.22 171.61 1vbe s ASP 29 N 1.53 6.09 0.20 6.13 2.15 -1.26 -4.98 116.67 126.53 1vbe s ASP 29 Ca 0.74 -1.30 -0.32 0.00 0.43 0.00 0.00 52.55 52.10 1vbe s ASP 29 Cb -0.47 -2.57 -0.12 0.00 -0.30 0.00 0.00 42.92 39.46 1vbe s ASP 29 CO 0.33 -1.89 1.71 0.52 -0.17 0.00 0.00 175.17 175.67 1vbe n VAL 30 N 7.17 0.01 -1.88 1.11 0.31 -1.26 -4.96 118.33 118.83 1vbe n VAL 30 Ca 0.36 -0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 64.27 1vbe n VAL 30 Cb 0.49 -1.93 -0.03 0.00 -0.91 0.00 0.00 33.84 31.46 1vbe n VAL 30 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1vbe s THR 31 N 1.20 3.06 0.79 2.52 2.01 -1.26 -4.99 115.64 118.97 1vbe s THR 31 Ca 0.76 0.41 -0.12 0.00 0.31 0.00 0.00 61.69 63.05 1vbe s THR 31 Cb -0.53 -3.26 0.07 0.00 0.01 0.00 0.00 72.50 68.79 1vbe s THR 31 CO 0.33 -0.01 1.13 -2.16 -0.69 0.00 0.00 174.62 173.22 1vbe s PRO 32 N 3.10 1.95 0.66 4.92 0.04 -1.26 -5.02 135.00 139.39 1vbe s PRO 32 Ca 0.76 1.40 -0.13 0.00 0.04 0.00 0.00 61.00 63.07 1vbe s PRO 32 Cb -0.40 -1.85 -0.00 0.00 0.04 0.00 0.00 34.50 32.29 1vbe s PRO 32 CO 0.33 -1.91 1.07 -1.25 0.04 0.00 0.00 177.00 175.29 1vbe s PRO 33 N -4.56 2.98 0.24 0.56 0.04 -1.26 -5.09 135.00 127.91 1vbe s PRO 33 Ca 0.66 1.15 0.11 0.00 0.04 0.00 0.00 61.00 62.95 1vbe s PRO 33 Cb -0.21 -1.99 -0.05 0.00 0.04 0.00 0.00 34.50 32.29 1vbe s PRO 33 CO 0.53 -1.08 -0.19 0.96 0.04 0.00 0.00 177.00 177.25 1vbe s ILE 34 N -2.68 2.25 -0.98 0.56 -4.36 -1.26 -5.07 121.20 109.66 1vbe s ILE 34 Ca 0.62 -2.25 -0.24 0.00 -0.26 0.00 0.00 60.65 58.52 1vbe s ILE 34 Cb -0.16 -2.17 0.00 0.00 1.25 0.00 0.00 42.46 41.38 1vbe s ILE 34 CO 0.46 -0.38 1.71 -0.62 0.24 0.00 0.00 174.94 176.35 1vbe s ASP 35 N -3.23 5.82 0.08 4.36 -1.08 -1.26 -4.96 116.67 116.40 1vbe s ASP 35 Ca 0.25 -1.12 -0.30 0.00 -0.52 0.00 0.00 52.55 50.87 1vbe s ASP 35 Cb -0.05 -2.57 -0.05 0.00 -1.46 0.00 0.00 42.92 38.79 1vbe s ASP 35 CO 0.12 -2.13 1.05 -0.63 0.52 0.00 0.00 175.17 174.10 1vbe s ILE 36 N 7.56 4.36 0.57 4.11 1.01 -1.26 -5.04 121.20 132.50 1vbe s ILE 36 Ca 0.58 1.82 -0.21 0.00 0.00 0.00 0.00 60.65 62.85 1vbe s ILE 36 Cb -0.03 -4.17 -0.04 0.00 0.01 0.00 0.00 42.46 38.23 1vbe s ILE 36 CO -0.04 0.21 1.30 -2.84 0.00 0.00 0.00 174.94 173.57 1vbe s PRO 37 N 0.49 3.04 0.00 2.79 0.02 -1.26 -4.28 135.00 135.79 1vbe s PRO 37 Ca 0.52 2.09 0.00 0.00 0.02 0.00 0.00 61.00 63.63 1vbe s PRO 37 Cb -0.25 -2.13 0.00 0.00 0.02 0.00 0.00 34.50 32.14 1vbe s PRO 37 CO 0.30 -1.22 0.00 0.41 -0.33 0.00 0.00 177.00 176.16 1vbe n GLY 38 N 0.71 1.01 3.74 0.52 0.00 -1.26 -5.05 105.19 104.85 1vbe n GLY 38 Ca 0.12 -0.53 -0.41 0.00 0.00 0.00 0.00 46.02 45.19 1vbe n GLY 38 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1vbe s GLU 39 N -2.61 4.42 -0.19 1.61 2.12 -1.26 -5.03 118.70 117.75 1vbe s GLU 39 Ca 0.00 2.01 -0.07 0.00 0.36 0.00 0.00 54.97 57.27 1vbe s GLU 39 Cb 0.00 -3.20 -0.04 0.00 0.26 0.00 0.00 34.13 31.15 1vbe s GLU 39 CO 0.00 -0.19 0.05 0.08 -0.54 0.00 0.00 175.26 174.66 1vbe s VAL 40 N -0.03 4.59 -0.27 3.70 1.01 -1.26 -5.00 120.40 123.14 1vbe s VAL 40 Ca 0.55 -0.10 0.22 0.00 0.00 0.00 0.00 61.98 62.65 1vbe s VAL 40 Cb -0.36 -3.08 -0.20 0.00 0.00 0.00 0.00 36.38 32.75 1vbe s VAL 40 CO 0.39 0.44 0.77 0.29 0.00 0.00 0.00 175.10 176.98 1vbe n LYS 41 N 3.78 0.53 -3.67 2.72 4.76 -1.26 -5.00 118.16 120.02 1vbe n LYS 41 Ca -0.17 -0.06 -0.13 0.00 -2.87 0.00 0.00 58.31 55.08 1vbe n LYS 41 Cb 0.52 -1.61 -0.08 0.00 -1.84 0.00 0.00 35.03 32.02 1vbe n LYS 41 CO 0.00 0.00 0.00 1.21 -1.37 0.00 0.00 177.40 177.24 1vbe s ASN 42 N -4.52 -0.65 0.50 4.39 3.84 -1.26 -5.05 114.94 112.19 1vbe s ASN 42 Ca -0.03 1.22 0.21 0.00 0.21 0.00 0.00 52.86 54.47 1vbe s ASN 42 Cb 0.13 1.21 1.27 0.00 -0.55 0.00 0.00 41.25 43.31 1vbe s ASN 42 CO 0.85 -0.21 1.99 0.24 -2.79 0.00 0.00 177.10 177.19 1vbe h MET 43 N 5.47 0.14 0.00 0.43 2.86 -2.03 -1.19 114.93 120.61 1vbe h MET 43 Ca -0.29 -0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.34 1vbe h MET 43 Cb 1.17 -0.03 -0.00 0.00 0.06 0.00 0.00 31.60 32.80 1vbe h MET 43 CO 0.14 0.09 -0.02 0.52 1.06 0.00 0.00 176.91 178.70 1vbe h MET 44 N 0.14 0.00 -0.91 1.72 2.86 -1.96 -1.29 114.93 115.48 1vbe h MET 44 Ca 0.25 0.00 0.14 0.00 -2.06 0.00 0.00 59.70 58.03 1vbe h MET 44 Cb 0.81 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 32.40 1vbe h MET 44 CO -0.03 0.02 0.59 0.93 1.06 0.00 0.00 176.91 179.47 1vbe h GLU 45 N 0.00 0.72 -0.20 1.72 5.08 -1.64 -0.60 114.58 119.66 1vbe h GLU 45 Ca -0.00 -0.04 -0.13 0.00 -1.00 0.00 0.00 59.36 58.18 1vbe h GLU 45 Cb 0.03 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 1vbe h GLU 45 CO 0.00 0.48 -0.43 -0.07 -1.00 0.00 0.00 179.01 177.99 1vbe h LEU 46 N 0.75 0.52 -1.18 1.33 3.38 -1.40 -2.70 115.31 116.00 1vbe h LEU 46 Ca 0.46 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 58.19 1vbe h LEU 46 Cb 0.68 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.29 1vbe h LEU 46 CO -0.22 0.89 -0.03 0.00 0.09 0.00 0.00 178.44 179.16 1vbe h ALA 47 N 1.14 1.00 0.00 1.53 0.00 -1.13 -2.53 119.26 119.27 1vbe h ALA 47 Ca 0.03 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1vbe h ALA 47 Cb 0.92 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1vbe h ALA 47 CO 0.08 0.04 0.00 0.39 0.00 0.00 0.00 179.25 179.76 1vbe n GLU 48 N -3.13 0.18 -2.84 0.00 1.02 -0.56 -0.79 120.64 114.51 1vbe n GLU 48 Ca 0.01 0.18 -0.41 0.00 -0.02 0.00 0.00 57.16 56.92 1vbe n GLU 48 Cb 0.36 -1.72 -0.04 0.00 -0.02 0.00 0.00 31.44 30.02 1vbe n GLU 48 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1vbe s ILE 49 N -3.09 4.88 0.08 -3.67 1.01 -0.95 -4.54 121.20 114.91 1vbe s ILE 49 Ca 0.11 1.76 -0.31 0.00 0.00 0.00 0.00 60.65 62.21 1vbe s ILE 49 Cb 0.14 -4.19 -0.10 0.00 0.01 0.00 0.00 42.46 38.32 1vbe s ILE 49 CO 0.55 0.07 1.90 0.47 0.00 0.00 0.00 174.94 177.94 1vbe n ASP 50 N 4.77 4.08 -4.41 3.58 8.00 -1.26 -4.66 116.55 126.66 1vbe n ASP 50 Ca 0.05 0.95 -0.25 0.00 0.71 0.00 0.00 54.79 56.25 1vbe n ASP 50 Cb 0.49 -1.53 -0.11 0.00 -0.02 0.00 0.00 41.12 39.95 1vbe n ASP 50 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1vbe s THR 51 N 3.57 2.24 -0.03 -3.53 -4.23 -1.10 -4.93 115.64 107.63 1vbe s THR 51 Ca 0.86 -2.08 -0.30 0.00 -1.18 0.00 0.00 61.69 58.98 1vbe s THR 51 Cb -0.47 -2.09 -0.03 0.00 1.34 0.00 0.00 72.50 71.25 1vbe s THR 51 CO 0.40 -0.23 1.02 -0.32 -0.54 0.00 0.00 174.62 174.95 1vbe s MET 52 N -2.88 4.50 -0.04 3.99 1.75 -1.26 -2.02 119.30 123.33 1vbe s MET 52 Ca 0.21 1.46 -0.30 0.00 -1.25 0.00 0.00 55.69 55.81 1vbe s MET 52 Cb -0.07 -3.48 -0.03 0.00 2.84 0.00 0.00 34.83 34.09 1vbe s MET 52 CO 0.10 -0.17 1.12 0.42 -0.65 0.00 0.00 175.02 175.83 1vbe s ILE 53 N 1.38 4.45 -0.68 10.11 1.01 0.24 -4.87 121.20 132.84 1vbe s ILE 53 Ca 0.52 1.76 -0.15 0.00 0.00 0.00 0.00 60.65 62.78 1vbe s ILE 53 Cb -0.21 -4.13 -0.12 0.00 0.01 0.00 0.00 42.46 38.01 1vbe s ILE 53 CO 0.25 0.04 1.87 -0.81 0.00 0.00 0.00 174.94 176.30 1vbe n PRO 54 N 4.74 1.44 0.22 2.79 -0.04 -1.25 -4.58 135.00 138.32 1vbe n PRO 54 Ca 0.09 -1.50 0.06 0.00 -0.04 0.00 0.00 63.50 62.11 1vbe n PRO 54 Cb 0.48 -2.62 0.53 0.00 -0.04 0.00 0.00 33.50 31.85 1vbe n PRO 54 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1vbe h LEU 55 N 11.76 0.04 -7.55 1.53 3.38 -1.71 -3.37 115.31 119.38 1vbe h LEU 55 Ca 0.39 -0.00 -0.79 0.00 0.09 0.00 0.00 57.88 57.57 1vbe h LEU 55 Cb 0.42 -0.01 -0.29 0.00 0.09 0.00 0.00 40.66 40.87 1vbe h LEU 55 CO 1.69 0.15 0.36 0.21 0.09 0.00 0.00 178.44 180.94 1vbe s ASN 56 N -7.00 7.12 -0.46 -0.43 2.47 0.18 -4.89 114.94 111.93 1vbe s ASN 56 Ca -0.05 -3.55 0.01 0.00 0.42 0.00 0.00 52.86 49.69 1vbe s ASN 56 Cb 0.16 -2.17 0.49 0.00 -1.45 0.00 0.00 41.25 38.28 1vbe s ASN 56 CO 0.69 -0.29 1.89 0.18 -3.72 0.00 0.00 177.10 175.85 1vbe n LEU 57 N 2.74 6.69 -4.76 3.21 4.77 -1.26 -3.90 117.00 124.49 1vbe n LEU 57 Ca 0.23 -3.60 -0.34 0.00 -0.03 0.00 0.00 56.01 52.27 1vbe n LEU 57 Cb 0.39 -0.88 0.04 0.00 -2.33 0.00 0.00 43.42 40.64 1vbe n LEU 57 CO 0.45 1.15 0.78 -1.61 -1.33 0.00 0.00 177.39 176.83 1vbe s GLU 58 N -3.00 2.91 0.13 3.23 0.41 -1.26 -4.51 118.70 116.61 1vbe s GLU 58 Ca 0.51 1.61 -0.12 0.00 -0.41 0.00 0.00 54.97 56.56 1vbe s GLU 58 Cb 0.42 -1.94 0.11 0.00 -1.78 0.00 0.00 34.13 30.94 1vbe s GLU 58 CO 0.05 -1.21 0.95 0.45 -0.49 0.00 0.00 175.26 175.01 1vbe n SER 59 N -1.94 -0.44 -0.02 -0.19 2.88 -1.26 -0.13 113.62 112.52 1vbe n SER 59 Ca 0.12 1.07 0.13 0.00 -1.33 0.00 0.00 58.87 58.85 1vbe n SER 59 Cb 0.51 -0.23 0.35 0.00 -0.75 0.00 0.00 64.21 64.09 1vbe n SER 59 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1vbe n THR 60 N -4.88 0.00 -0.07 2.46 -2.24 -1.26 -4.29 114.28 104.01 1vbe n THR 60 Ca 0.05 -0.01 -0.13 0.00 -2.27 0.00 0.00 64.05 61.70 1vbe n THR 60 Cb 0.23 0.09 -0.14 0.00 -2.10 0.00 0.00 70.33 68.41 1vbe n THR 60 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1vbe n LYS 61 N -1.44 0.68 -1.73 -0.78 4.76 0.81 -4.90 118.16 115.56 1vbe n LYS 61 Ca 0.06 0.15 -0.37 0.00 -2.87 0.00 0.00 58.31 55.28 1vbe n LYS 61 Cb 0.33 -1.63 0.07 0.00 -1.84 0.00 0.00 35.03 31.97 1vbe n LYS 61 CO 0.00 0.00 0.00 2.89 -1.37 0.00 0.00 177.40 178.92 1vbe n ARG 62 N -3.04 1.18 -2.96 1.97 1.85 -0.46 -2.33 116.66 112.87 1vbe n ARG 62 Ca -0.31 0.46 -0.19 0.00 -1.00 0.00 0.00 57.85 56.81 1vbe n ARG 62 Cb 1.08 -2.54 0.00 0.00 -1.05 0.00 0.00 32.46 29.96 1vbe n ARG 62 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 1vbe n ASN 63 N -1.80 -4.34 -4.03 2.89 3.02 -1.26 -4.92 115.26 104.82 1vbe n ASN 63 Ca 0.15 -0.17 -0.08 0.00 -0.03 0.00 0.00 54.58 54.46 1vbe n ASN 63 Cb 0.48 -3.60 -0.09 0.00 -0.61 0.00 0.00 39.78 35.96 1vbe n ASN 63 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 1vbe s THR 64 N -2.88 0.20 0.48 3.41 -1.32 -1.11 -5.04 115.64 109.37 1vbe s THR 64 Ca 0.24 -1.60 0.24 0.00 -1.21 0.00 0.00 61.69 59.35 1vbe s THR 64 Cb -0.12 -1.41 0.42 0.00 -1.51 0.00 0.00 72.50 69.88 1vbe s THR 64 CO 0.29 -0.89 1.90 0.24 -2.21 0.00 0.00 174.62 173.95 1vbe h MET 65 N 3.13 0.18 0.00 7.08 2.86 -1.93 -1.53 114.93 124.72 1vbe h MET 65 Ca -0.34 -0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.29 1vbe h MET 65 Cb 1.16 -0.04 -0.00 0.00 0.06 0.00 0.00 31.60 32.78 1vbe h MET 65 CO 0.62 0.12 -0.02 -0.44 1.06 0.00 0.00 176.91 178.25 1vbe h ASP 66 N 0.19 0.00 -0.07 1.22 3.32 -1.95 -2.62 116.42 116.51 1vbe h ASP 66 Ca 0.41 0.00 0.02 0.00 0.02 0.00 0.00 57.03 57.48 1vbe h ASP 66 Cb 1.32 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.87 1vbe h ASP 66 CO -0.08 0.02 0.11 0.00 -1.72 0.00 0.00 179.24 177.58 1vbe h MET 67 N 0.00 0.00 -0.00 3.56 -0.00 -0.87 -0.60 114.93 117.02 1vbe h MET 67 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 1vbe h MET 67 Cb 0.19 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.79 1vbe h MET 67 CO 0.00 0.00 -0.22 0.66 -0.00 0.00 0.00 176.91 177.36 1vbe n TYR 68 N -3.51 0.00 -3.85 -0.10 4.01 -0.99 -0.65 117.16 112.07 1vbe n TYR 68 Ca -0.01 0.00 -0.36 0.00 -0.16 0.00 0.00 57.90 57.37 1vbe n TYR 68 Cb 0.20 -0.28 -0.13 0.00 -0.31 0.00 0.00 39.34 38.82 1vbe n TYR 68 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 1vbe s ARG 69 N -2.78 3.28 -0.16 -0.72 0.52 -0.24 -4.51 118.95 114.34 1vbe s ARG 69 Ca 0.19 -0.70 -0.12 0.00 -0.52 0.00 0.00 55.73 54.57 1vbe s ARG 69 Cb 0.19 -3.16 -0.05 0.00 0.52 0.00 0.00 34.95 32.45 1vbe s ARG 69 CO 0.56 -0.29 0.23 0.08 0.02 0.00 0.00 175.30 175.91 1vbe s VAL 70 N 1.49 5.34 -0.22 3.52 1.01 -0.68 -4.74 120.40 126.12 1vbe s VAL 70 Ca 0.04 0.42 -0.22 0.00 0.00 0.00 0.00 61.98 62.22 1vbe s VAL 70 Cb -0.15 -3.56 -0.02 0.00 0.00 0.00 0.00 36.38 32.64 1vbe s VAL 70 CO -0.01 0.43 0.69 -0.89 0.00 0.00 0.00 175.10 175.32 1vbe s THR 71 N 0.25 4.96 0.00 3.92 2.01 -1.26 -0.55 115.64 124.98 1vbe s THR 71 Ca 0.14 1.28 -0.01 0.00 0.31 0.00 0.00 61.69 63.41 1vbe s THR 71 Cb -0.12 -3.99 -0.04 0.00 0.01 0.00 0.00 72.50 68.36 1vbe s THR 71 CO 0.02 0.05 0.13 -0.76 -0.69 0.00 0.00 174.62 173.37 1vbe s LEU 72 N 2.27 4.10 0.04 4.42 1.43 0.43 -4.97 118.68 126.41 1vbe s LEU 72 Ca 0.30 0.22 -0.15 0.00 -1.03 0.00 0.00 54.13 53.47 1vbe s LEU 72 Cb -0.16 -2.45 0.02 0.00 0.03 0.00 0.00 46.19 43.63 1vbe s LEU 72 CO 0.09 0.26 0.34 -0.94 0.23 0.00 0.00 176.35 176.33 1vbe s SER 73 N -1.90 -0.18 0.00 2.29 1.04 -1.26 -0.87 113.70 112.82 1vbe s SER 73 Ca 0.26 -0.11 0.14 0.00 0.48 0.00 0.00 55.95 56.71 1vbe s SER 73 Cb -0.12 0.37 0.64 0.00 0.10 0.00 0.00 66.02 67.01 1vbe s SER 73 CO 0.17 -0.62 1.42 -0.90 0.98 0.00 0.00 173.24 174.29 1vbe n ASP 74 N 0.60 0.00 -0.11 7.02 5.75 -0.56 -2.68 116.55 126.57 1vbe n ASP 74 Ca -0.19 0.34 0.09 0.00 -0.01 0.00 0.00 54.79 55.02 1vbe n ASP 74 Cb 0.59 -0.42 0.12 0.00 -1.03 0.00 0.00 41.12 40.39 1vbe n ASP 74 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 1vbe n SER 75 N -1.42 2.10 -4.76 -1.12 3.41 -1.26 -4.79 113.62 105.78 1vbe n SER 75 Ca 0.05 -2.95 -0.36 0.00 -0.26 0.00 0.00 58.87 55.34 1vbe n SER 75 Cb 0.14 -0.40 0.01 0.00 -0.26 0.00 0.00 64.21 63.71 1vbe n SER 75 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1vbe s ALA 76 N -2.54 2.76 -0.61 7.33 0.00 -1.09 -4.92 121.76 122.69 1vbe s ALA 76 Ca 0.28 0.98 -0.26 0.00 0.00 0.00 0.00 51.96 52.95 1vbe s ALA 76 Cb 0.25 -3.42 -0.02 0.00 0.00 0.00 0.00 23.12 19.92 1vbe s ALA 76 CO 0.03 -0.91 1.90 0.34 0.00 0.00 0.00 175.76 177.11 1vbe s ASP 77 N -1.48 5.21 0.58 0.00 2.15 -1.26 -4.84 116.67 117.02 1vbe s ASP 77 Ca 0.71 0.38 0.30 0.00 0.43 0.00 0.00 52.55 54.37 1vbe s ASP 77 Cb -0.29 -2.53 1.66 0.00 -0.30 0.00 0.00 42.92 41.46 1vbe s ASP 77 CO 0.34 -2.42 1.92 -0.07 -0.17 0.00 0.00 175.17 174.77 1vbe h LEU 78 N 16.67 0.00 -0.89 -1.34 3.38 -1.95 -1.20 115.31 129.98 1vbe h LEU 78 Ca -0.26 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.65 1vbe h LEU 78 Cb 1.17 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.91 1vbe h LEU 78 CO 1.21 0.00 -0.31 0.77 0.09 0.00 0.00 178.44 180.20 1vbe h SER 79 N 0.00 0.00 -3.89 -0.43 4.64 -1.96 -3.42 113.55 108.50 1vbe h SER 79 Ca 0.00 0.00 -0.47 0.00 -0.47 0.00 0.00 61.79 60.85 1vbe h SER 79 Cb 0.41 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.49 1vbe h SER 79 CO 0.00 0.31 0.21 -1.10 -0.87 0.00 0.00 176.83 175.39 1vbe s GLN 80 N -3.54 4.05 0.34 4.77 -1.52 -0.46 -4.68 119.66 118.62 1vbe s GLN 80 Ca 0.01 0.84 -0.29 0.00 -1.95 0.00 0.00 55.36 53.97 1vbe s GLN 80 Cb 0.10 -2.31 -0.11 0.00 -0.22 0.00 0.00 33.01 30.47 1vbe s GLN 80 CO 0.67 0.03 1.50 -1.25 -0.25 0.00 0.00 175.29 175.99 1vbe s PRO 81 N -3.25 4.14 0.08 2.91 0.04 -1.26 -4.66 135.00 132.99 1vbe s PRO 81 Ca 0.57 2.53 -0.17 0.00 0.04 0.00 0.00 61.00 63.97 1vbe s PRO 81 Cb -0.10 -3.00 -0.10 0.00 0.04 0.00 0.00 34.50 31.34 1vbe s PRO 81 CO 0.19 -0.53 1.41 0.82 0.04 0.00 0.00 177.00 178.92 1vbe h ILE 82 N 3.13 1.31 -2.40 0.56 2.04 -0.87 -3.47 117.51 117.81 1vbe h ILE 82 Ca -0.49 -1.35 -0.08 0.00 1.00 0.00 0.00 64.86 63.94 1vbe h ILE 82 Cb 1.23 1.65 -0.19 0.00 -0.74 0.00 0.00 36.82 38.77 1vbe h ILE 82 CO 0.69 0.42 0.04 -1.48 0.00 0.00 0.00 178.15 177.83 1vbe s LEU 83 N -9.07 -0.17 -0.04 1.44 0.05 -1.24 -4.99 118.68 104.66 1vbe s LEU 83 Ca -0.13 0.46 0.02 0.00 0.05 0.00 0.00 54.13 54.53 1vbe s LEU 83 Cb 0.07 2.14 0.02 0.00 -2.05 0.00 0.00 46.19 46.37 1vbe s LEU 83 CO 0.80 -0.58 -0.06 0.00 -0.55 0.00 0.00 176.35 175.95 1vbe s LEU 85 N 0.64 1.28 -0.03 0.00 0.20 0.26 -5.01 118.68 116.03 1vbe s LEU 85 Ca -0.09 0.38 -0.23 0.00 0.69 0.00 0.00 54.13 54.87 1vbe s LEU 85 Cb -0.12 0.64 -0.04 0.00 -0.43 0.00 0.00 46.19 46.24 1vbe s LEU 85 CO 0.01 -0.07 0.70 -0.44 -0.29 0.00 0.00 176.35 176.26 1vbe s SER 86 N 0.10 7.03 -1.11 3.68 0.01 -1.26 -0.67 113.70 121.49 1vbe s SER 86 Ca -0.00 1.24 -0.23 0.00 1.31 0.00 0.00 55.95 58.27 1vbe s SER 86 Cb -0.01 -2.42 -0.10 0.00 0.21 0.00 0.00 66.02 63.70 1vbe s SER 86 CO 0.00 -0.05 1.93 -0.11 0.41 0.00 0.00 173.24 175.42 1vbe n LEU 87 N 3.41 3.23 -3.34 2.44 7.94 0.24 -4.70 117.00 126.20 1vbe n LEU 87 Ca -0.02 -3.12 -0.26 0.00 -1.11 0.00 0.00 56.01 51.50 1vbe n LEU 87 Cb 0.51 -1.62 -0.08 0.00 0.53 0.00 0.00 43.42 42.75 1vbe n LEU 87 CO 0.47 -1.59 -0.20 -1.20 -1.11 0.00 0.00 177.39 173.76 1vbe n SER 88 N 13.19 1.09 -0.25 1.96 7.64 -1.26 -3.74 113.62 132.25 1vbe n SER 88 Ca 0.46 -2.84 0.19 0.00 1.01 0.00 0.00 58.87 57.69 1vbe n SER 88 Cb 0.45 -0.64 0.51 0.00 -1.01 0.00 0.00 64.21 63.53 1vbe n SER 88 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1vbe h PRO 89 N 4.48 0.40 0.00 1.43 0.13 -1.91 0.72 132.00 137.24 1vbe h PRO 89 Ca 0.15 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1vbe h PRO 89 Cb 0.83 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 31.87 1vbe h PRO 89 CO 0.55 0.26 -1.09 0.00 -0.23 0.00 0.00 178.00 177.49 1vbe n ALA 90 N -2.51 2.72 -0.08 -0.56 0.00 -1.26 -3.07 120.51 115.75 1vbe n ALA 90 Ca 0.20 -0.29 -0.12 0.00 0.00 0.00 0.00 53.44 53.23 1vbe n ALA 90 Cb 0.71 -1.05 -0.07 0.00 0.00 0.00 0.00 19.45 19.04 1vbe n ALA 90 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1vbe n PHE 91 N -2.47 0.00 -1.70 0.00 7.35 0.08 -4.45 117.46 116.27 1vbe n PHE 91 Ca 0.00 0.00 -0.43 0.00 -0.76 0.00 0.00 57.45 56.26 1vbe n PHE 91 Cb 0.52 -0.61 -0.03 0.00 0.35 0.00 0.00 39.48 39.72 1vbe n PHE 91 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 1vbe n ASP 92 N -3.07 3.83 -0.20 -2.13 -0.08 -0.24 -4.70 116.55 109.95 1vbe n ASP 92 Ca -0.29 1.04 0.19 0.00 -1.51 0.00 0.00 54.79 54.23 1vbe n ASP 92 Cb 0.79 -1.53 0.54 0.00 2.34 0.00 0.00 41.12 43.26 1vbe n ASP 92 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1vbe h PRO 93 N 7.23 0.33 -0.17 -0.67 0.13 -1.94 0.15 132.00 137.06 1vbe h PRO 93 Ca -0.45 -0.02 -0.20 0.00 -0.87 0.00 0.00 66.00 64.47 1vbe h PRO 93 Cb 1.22 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1vbe h PRO 93 CO 0.94 0.22 -0.68 0.00 -0.23 0.00 0.00 178.00 178.25 1vbe h ARG 94 N 0.34 0.69 0.06 0.86 3.08 -1.89 -3.36 114.38 114.17 1vbe h ARG 94 Ca 0.43 -0.51 -0.32 0.00 0.07 0.00 0.00 59.98 59.65 1vbe h ARG 94 Cb 1.15 0.09 -0.03 0.00 0.08 0.00 0.00 29.97 31.25 1vbe h ARG 94 CO -0.14 1.13 -1.76 -0.07 -1.07 0.00 0.00 179.97 178.06 1vbe h LEU 95 N 0.49 0.21 -1.91 3.04 3.38 -1.18 -3.34 115.31 116.01 1vbe h LEU 95 Ca -0.02 -0.43 0.14 0.00 0.09 0.00 0.00 57.88 57.65 1vbe h LEU 95 Cb 1.28 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.94 1vbe h LEU 95 CO 0.14 1.38 0.51 0.77 0.09 0.00 0.00 178.44 181.33 1vbe h SER 96 N 0.04 0.00 -0.10 -0.43 4.64 -0.75 -1.75 113.55 115.20 1vbe h SER 96 Ca -0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.00 1vbe h SER 96 Cb 2.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.11 1vbe h SER 96 CO 0.10 0.00 0.00 1.41 -0.87 0.00 0.00 176.83 177.47 1vbe n HIS 97 N -3.70 0.11 -1.11 4.77 8.25 -1.26 -3.26 115.22 119.01 1vbe n HIS 97 Ca 0.09 -0.08 -0.30 0.00 -0.26 0.00 0.00 57.72 57.18 1vbe n HIS 97 Cb 0.70 -0.00 0.15 0.00 1.12 0.00 0.00 29.99 31.96 1vbe n HIS 97 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1vbe s THR 98 N -1.34 2.57 0.42 1.59 -4.23 -0.66 -4.66 115.64 109.32 1vbe s THR 98 Ca 0.22 0.18 0.12 0.00 -1.18 0.00 0.00 61.69 61.03 1vbe s THR 98 Cb 0.15 -2.59 0.32 0.00 1.34 0.00 0.00 72.50 71.71 1vbe s THR 98 CO 0.21 -0.24 1.98 -0.03 -0.54 0.00 0.00 174.62 176.00 1vbe h MET 99 N -1.66 0.48 0.44 3.99 1.85 -1.92 -0.11 114.93 118.00 1vbe h MET 99 Ca -0.50 -0.03 -0.02 0.00 -0.61 0.00 0.00 59.70 58.54 1vbe h MET 99 Cb 1.29 -0.11 0.00 0.00 0.43 0.00 0.00 31.60 33.21 1vbe h MET 99 CO 0.53 0.32 -0.21 1.25 -0.40 0.00 0.00 176.91 178.39 1vbe h LEU 100 N 0.49 -0.51 -0.87 3.39 5.85 -1.86 -1.92 115.31 119.88 1vbe h LEU 100 Ca 0.28 -0.04 0.05 0.00 0.84 0.00 0.00 57.88 59.01 1vbe h LEU 100 Cb 0.45 0.13 -0.06 0.00 0.37 0.00 0.00 40.66 41.55 1vbe h LEU 100 CO -0.08 -0.28 0.55 1.23 -0.34 0.00 0.00 178.44 179.52 1vbe h GLY 101 N -0.71 1.30 0.94 3.75 0.00 -1.46 -1.08 103.07 105.82 1vbe h GLY 101 Ca -0.06 -0.41 -0.02 0.00 0.00 0.00 0.00 47.33 46.84 1vbe h GLY 101 CO 0.10 0.31 0.15 0.83 0.00 0.00 0.00 176.54 177.93 1vbe h GLU 102 N 1.04 0.56 -0.38 4.80 4.39 -0.98 -0.10 114.58 123.90 1vbe h GLU 102 Ca 0.37 -0.10 -0.03 0.00 0.34 0.00 0.00 59.36 59.94 1vbe h GLU 102 Cb 0.10 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.64 1vbe h GLU 102 CO -0.15 0.54 0.13 0.28 -1.16 0.00 0.00 179.01 178.65 1vbe h VAL 103 N 0.46 1.21 -0.23 3.13 2.07 -1.14 -2.96 116.25 118.79 1vbe h VAL 103 Ca 0.12 -0.67 -0.00 0.00 0.82 0.00 0.00 66.70 66.98 1vbe h VAL 103 Cb 0.19 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 30.87 1vbe h VAL 103 CO -0.01 0.24 0.14 -0.07 0.02 0.00 0.00 177.57 177.88 1vbe h LEU 104 N 0.47 0.26 -0.45 2.57 4.07 -0.95 -1.42 115.31 119.86 1vbe h LEU 104 Ca 0.13 -0.01 0.00 0.00 0.08 0.00 0.00 57.88 58.08 1vbe h LEU 104 Cb 0.24 -0.07 0.00 0.00 1.08 0.00 0.00 40.66 41.91 1vbe h LEU 104 CO -0.01 0.20 0.00 0.59 -1.08 0.00 0.00 178.44 178.15 1vbe n ASN 105 N -4.49 0.34 -0.49 -0.43 3.02 -0.07 -1.47 115.26 111.66 1vbe n ASN 105 Ca 0.00 0.60 0.11 0.00 -0.03 0.00 0.00 54.58 55.26 1vbe n ASN 105 Cb 0.08 -0.66 0.41 0.00 -0.61 0.00 0.00 39.78 39.00 1vbe n ASN 105 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1vbe n TYR 106 N -1.89 0.17 -4.27 3.10 4.01 -0.53 -3.79 117.16 113.95 1vbe n TYR 106 Ca 0.02 -0.08 -0.15 0.00 -0.16 0.00 0.00 57.90 57.53 1vbe n TYR 106 Cb 0.16 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.09 1vbe n TYR 106 CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 1vbe s TYR 107 N -1.83 1.34 -0.12 -0.72 1.51 -0.54 -0.76 117.35 116.22 1vbe s TYR 107 Ca 0.33 -0.73 0.14 0.00 -1.01 0.00 0.00 57.07 55.80 1vbe s TYR 107 Cb 0.17 -0.67 -0.24 0.00 -0.11 0.00 0.00 41.96 41.12 1vbe s TYR 107 CO 0.27 0.13 0.36 2.41 -1.11 0.00 0.00 175.55 177.61 1vbe n THR 108 N -0.23 1.51 -4.71 -0.71 -1.04 0.68 -4.68 114.28 105.11 1vbe n THR 108 Ca -0.10 -0.82 -0.25 0.00 -2.04 0.00 0.00 64.05 60.85 1vbe n THR 108 Cb 0.61 -0.81 -0.16 0.00 -1.82 0.00 0.00 70.33 68.15 1vbe n THR 108 CO 0.00 0.00 0.00 -1.00 -0.64 0.00 0.00 175.07 173.43 1vbe s HIS 109 N -2.55 1.52 0.21 -1.42 3.76 -0.54 -1.21 115.29 115.06 1vbe s HIS 109 Ca -0.08 -0.44 0.10 0.00 -0.15 0.00 0.00 55.06 54.49 1vbe s HIS 109 Cb 0.07 -1.04 -0.04 0.00 1.11 0.00 0.00 32.58 32.67 1vbe s HIS 109 CO 0.82 -0.16 -0.20 1.67 -0.85 0.00 0.00 174.74 176.01 1vbe s TRP 110 N 0.14 2.09 0.05 1.40 1.48 0.32 -1.07 118.94 123.34 1vbe s TRP 110 Ca -0.05 -0.41 -0.17 0.00 -1.06 0.00 0.00 56.10 54.42 1vbe s TRP 110 Cb -0.11 -1.00 0.03 0.00 -1.16 0.00 0.00 33.47 31.23 1vbe s TRP 110 CO 0.02 0.49 0.38 0.00 -4.06 0.00 0.00 176.95 173.77 1vbe s ALA 111 N -2.11 -0.90 0.00 2.67 0.00 -0.11 -0.38 121.76 120.93 1vbe s ALA 111 Ca 0.21 0.19 0.00 0.00 0.00 0.00 0.00 51.96 52.37 1vbe s ALA 111 Cb -0.06 0.35 0.00 0.00 0.00 0.00 0.00 23.12 23.42 1vbe s ALA 111 CO 0.10 -0.45 0.00 0.41 0.00 0.00 0.00 175.76 175.82 1vbe n GLY 112 N 0.49 2.40 3.76 0.00 0.00 -1.26 -0.80 105.19 109.78 1vbe n GLY 112 Ca -0.18 -2.08 -0.39 0.00 0.00 0.00 0.00 46.02 43.37 1vbe n GLY 112 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1vbe s SER 113 N 0.00 7.52 0.19 1.61 0.01 -1.26 -4.46 113.70 117.32 1vbe s SER 113 Ca 0.00 1.87 0.07 0.00 1.31 0.00 0.00 55.95 59.19 1vbe s SER 113 Cb 0.00 -2.58 -0.04 0.00 0.21 0.00 0.00 66.02 63.61 1vbe s SER 113 CO 0.00 0.11 0.08 -0.76 0.41 0.00 0.00 173.24 173.08 1vbe s LEU 114 N -1.40 3.56 -0.03 2.44 1.43 -0.93 -0.64 118.68 123.12 1vbe s LEU 114 Ca 0.42 -0.30 0.01 0.00 -1.03 0.00 0.00 54.13 53.23 1vbe s LEU 114 Cb -0.24 -2.16 0.02 0.00 0.03 0.00 0.00 46.19 43.84 1vbe s LEU 114 CO 0.29 0.05 -0.02 -1.59 0.23 0.00 0.00 176.35 175.31 1vbe s LYS 115 N -3.24 0.48 -0.23 1.70 -2.85 0.08 -0.08 119.74 115.61 1vbe s LYS 115 Ca 0.30 -0.01 -0.08 0.00 -1.00 0.00 0.00 55.97 55.18 1vbe s LYS 115 Cb -0.09 -0.58 -0.04 0.00 -2.06 0.00 0.00 37.83 35.06 1vbe s LYS 115 CO 0.22 -0.09 0.10 -0.06 0.10 0.00 0.00 175.35 175.61 1vbe s PHE 116 N 0.86 3.19 -0.16 1.78 0.40 -0.17 -2.14 117.98 121.74 1vbe s PHE 116 Ca -0.10 -0.07 -0.00 0.00 -0.60 0.00 0.00 56.93 56.16 1vbe s PHE 116 Cb -0.13 -2.21 -0.00 0.00 0.51 0.00 0.00 43.02 41.19 1vbe s PHE 116 CO -0.01 -0.09 -0.14 0.99 0.70 0.00 0.00 175.22 176.67 1vbe s THR 117 N 1.15 2.73 -0.12 0.64 2.01 0.17 -0.65 115.64 121.56 1vbe s THR 117 Ca 0.05 -0.74 -0.03 0.00 0.31 0.00 0.00 61.69 61.28 1vbe s THR 117 Cb -0.14 -2.16 -0.03 0.00 0.01 0.00 0.00 72.50 70.17 1vbe s THR 117 CO 0.04 0.51 0.00 -0.36 -0.69 0.00 0.00 174.62 174.12 1vbe s PHE 118 N 0.90 3.14 -0.22 4.92 0.08 0.04 -0.24 117.98 126.61 1vbe s PHE 118 Ca -0.03 0.03 -0.06 0.00 0.12 0.00 0.00 56.93 56.99 1vbe s PHE 118 Cb -0.15 -1.89 -0.03 0.00 -0.57 0.00 0.00 43.02 40.38 1vbe s PHE 118 CO -0.01 0.26 0.03 -1.17 -0.10 0.00 0.00 175.22 174.23 1vbe s LEU 119 N -0.28 3.33 -0.54 -0.37 2.96 0.33 -1.29 118.68 122.83 1vbe s LEU 119 Ca 0.06 -0.20 -0.24 0.00 -0.22 0.00 0.00 54.13 53.52 1vbe s LEU 119 Cb -0.12 -1.86 0.04 0.00 0.50 0.00 0.00 46.19 44.74 1vbe s LEU 119 CO 0.02 0.02 0.95 0.12 -1.32 0.00 0.00 176.35 176.14 1vbe s PHE 120 N 1.25 2.81 -0.48 5.38 5.36 -0.99 -1.10 117.98 130.21 1vbe s PHE 120 Ca 0.04 0.07 0.01 0.00 -0.96 0.00 0.00 56.93 56.09 1vbe s PHE 120 Cb -0.15 -4.07 0.49 0.00 -0.34 0.00 0.00 43.02 38.96 1vbe s PHE 120 CO 0.02 -1.32 1.91 0.00 -1.46 0.00 0.00 175.22 174.37 1vbe n GLY 122 N -0.78 -0.39 3.80 0.00 0.00 -1.26 -4.42 105.19 102.15 1vbe n GLY 122 Ca 0.53 -1.86 -0.33 0.00 0.00 0.00 0.00 46.02 44.36 1vbe n GLY 122 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1vbe s SER 123 N -4.73 5.98 0.45 1.61 1.04 -1.26 -4.97 113.70 111.81 1vbe s SER 123 Ca 0.59 1.87 0.12 0.00 0.48 0.00 0.00 55.95 59.00 1vbe s SER 123 Cb -0.02 -2.54 1.02 0.00 0.10 0.00 0.00 66.02 64.57 1vbe s SER 123 CO 0.40 -1.03 2.05 -0.03 0.98 0.00 0.00 173.24 175.62 1vbe h MET 124 N 0.85 0.36 0.00 4.02 4.05 -1.99 -1.53 114.93 120.69 1vbe h MET 124 Ca -0.48 -0.02 0.00 0.00 -0.28 0.00 0.00 59.70 58.92 1vbe h MET 124 Cb 1.22 -0.08 0.00 0.00 -0.80 0.00 0.00 31.60 31.94 1vbe h MET 124 CO 0.58 0.24 0.00 -1.33 0.23 0.00 0.00 176.91 176.63 1vbe n MET 125 N -4.48 0.18 -2.68 0.39 2.81 -1.26 -4.73 117.12 107.35 1vbe n MET 125 Ca 0.04 0.47 -0.42 0.00 -1.81 0.00 0.00 57.70 55.98 1vbe n MET 125 Cb 0.18 -1.88 -0.03 0.00 -0.71 0.00 0.00 33.22 30.78 1vbe n MET 125 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1vbe s ALA 126 N -3.36 3.22 0.40 3.04 0.00 -0.58 -4.48 121.76 120.00 1vbe s ALA 126 Ca 0.03 0.55 0.08 0.00 0.00 0.00 0.00 51.96 52.61 1vbe s ALA 126 Cb 0.08 -3.37 -0.07 0.00 0.00 0.00 0.00 23.12 19.77 1vbe s ALA 126 CO 0.34 -0.31 0.06 0.95 0.00 0.00 0.00 175.76 176.80 1vbe s THR 127 N 1.17 2.19 0.00 0.00 -4.23 -0.28 -4.88 115.64 109.60 1vbe s THR 127 Ca 0.52 -1.92 0.00 0.00 -1.18 0.00 0.00 61.69 59.12 1vbe s THR 127 Cb -0.21 -2.95 0.00 0.00 1.34 0.00 0.00 72.50 70.67 1vbe s THR 127 CO 0.27 -0.04 0.00 0.61 -0.54 0.00 0.00 174.62 174.92 1vbe n GLY 128 N -1.04 1.83 3.09 3.99 0.00 -1.26 -1.02 105.19 110.77 1vbe n GLY 128 Ca -0.04 -0.65 -0.29 0.00 0.00 0.00 0.00 46.02 45.04 1vbe n GLY 128 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1vbe s LYS 129 N -2.00 2.40 0.06 1.61 1.02 -1.26 -1.10 119.74 120.48 1vbe s LYS 129 Ca 0.00 -0.63 0.09 0.00 0.02 0.00 0.00 55.97 55.45 1vbe s LYS 129 Cb 0.00 -2.00 -0.03 0.00 -0.52 0.00 0.00 37.83 35.28 1vbe s LYS 129 CO 0.00 -0.03 -0.26 0.42 -0.92 0.00 0.00 175.35 174.56 1vbe s ILE 130 N 0.89 2.17 -0.24 2.17 1.01 -0.21 -0.08 121.20 126.89 1vbe s ILE 130 Ca -0.08 -1.43 -0.06 0.00 0.00 0.00 0.00 60.65 59.08 1vbe s ILE 130 Cb -0.15 -1.86 -0.01 0.00 0.01 0.00 0.00 42.46 40.45 1vbe s ILE 130 CO -0.01 0.33 0.03 -0.22 0.00 0.00 0.00 174.94 175.07 1vbe s LEU 131 N -1.34 3.28 -0.08 2.97 0.20 0.46 -0.03 118.68 124.13 1vbe s LEU 131 Ca 0.12 -0.36 0.02 0.00 0.69 0.00 0.00 54.13 54.60 1vbe s LEU 131 Cb -0.10 -1.84 -0.02 0.00 -0.43 0.00 0.00 46.19 43.79 1vbe s LEU 131 CO 0.03 -0.05 -0.12 0.54 -0.29 0.00 0.00 176.35 176.45 1vbe s VAL 132 N 1.54 3.23 0.08 1.68 0.11 -0.44 -0.69 120.40 125.91 1vbe s VAL 132 Ca 0.06 -0.64 -0.02 0.00 -2.93 0.00 0.00 61.98 58.44 1vbe s VAL 132 Cb -0.15 -2.30 -0.04 0.00 -1.53 0.00 0.00 36.38 32.36 1vbe s VAL 132 CO 0.01 0.57 0.03 0.00 -3.33 0.00 0.00 175.10 172.38 1vbe s ALA 133 N -0.46 0.55 -0.06 1.54 0.00 0.21 -0.78 121.76 122.76 1vbe s ALA 133 Ca 0.06 -1.23 -0.00 0.00 0.00 0.00 0.00 51.96 50.78 1vbe s ALA 133 Cb -0.12 0.51 0.03 0.00 0.00 0.00 0.00 23.12 23.54 1vbe s ALA 133 CO 0.02 -0.43 -0.02 -0.47 0.00 0.00 0.00 175.76 174.86 1vbe s TYR 134 N -3.96 0.73 -0.33 0.00 5.04 0.95 -1.31 117.35 118.47 1vbe s TYR 134 Ca 0.13 -0.21 -0.07 0.00 -2.44 0.00 0.00 57.07 54.48 1vbe s TYR 134 Cb 0.07 -0.76 0.02 0.00 0.35 0.00 0.00 41.96 41.64 1vbe s TYR 134 CO -0.06 -0.28 0.11 0.00 -1.34 0.00 0.00 175.55 173.98 1vbe s ALA 135 N 1.54 3.10 0.46 3.97 0.00 0.41 -1.17 121.76 130.07 1vbe s ALA 135 Ca -0.01 -1.61 -0.23 0.00 0.00 0.00 0.00 51.96 50.10 1vbe s ALA 135 Cb -0.13 -2.28 -0.09 0.00 0.00 0.00 0.00 23.12 20.62 1vbe s ALA 135 CO -0.03 -1.16 1.08 -2.30 0.00 0.00 0.00 175.76 173.34 1vbe n PRO 136 N 4.87 1.41 -0.59 0.00 -0.02 -1.26 -0.86 135.00 138.55 1vbe n PRO 136 Ca -0.13 0.51 -0.30 0.00 -2.02 0.00 0.00 63.50 61.56 1vbe n PRO 136 Cb 0.46 -2.17 0.21 0.00 -0.02 0.00 0.00 33.50 31.98 1vbe n PRO 136 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1vbe n PRO 137 N -0.15 -1.55 0.00 0.52 -0.04 -1.26 -4.51 135.00 128.01 1vbe n PRO 137 Ca 0.10 -0.41 0.00 0.00 -0.04 0.00 0.00 63.50 63.15 1vbe n PRO 137 Cb 0.41 -2.16 0.00 0.00 -0.04 0.00 0.00 33.50 31.71 1vbe n PRO 137 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1vbe n GLY 138 N 0.91 1.92 2.84 0.55 0.00 -1.26 -5.00 105.19 105.15 1vbe n GLY 138 Ca 0.06 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.85 1vbe n GLY 138 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vbe n ALA 139 N -0.25 0.44 -1.79 4.61 0.00 -1.26 -5.09 120.51 117.17 1vbe n ALA 139 Ca 0.00 -1.73 -0.42 0.00 0.00 0.00 0.00 53.44 51.29 1vbe n ALA 139 Cb 0.00 0.87 -0.03 0.00 0.00 0.00 0.00 19.45 20.29 1vbe n ALA 139 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 1vbe s GLN 140 N -3.52 4.16 0.12 0.00 0.74 -1.26 -4.93 119.66 114.96 1vbe s GLN 140 Ca 0.08 2.52 -0.32 0.00 0.05 0.00 0.00 55.36 57.69 1vbe s GLN 140 Cb -0.01 -3.46 -0.12 0.00 1.10 0.00 0.00 33.01 30.53 1vbe s GLN 140 CO 0.05 -0.78 1.79 -2.30 -0.55 0.00 0.00 175.29 173.50 1vbe n PRO 141 N 5.19 2.62 -1.68 1.67 -0.02 -1.26 -4.84 135.00 136.68 1vbe n PRO 141 Ca 0.17 0.95 -0.48 0.00 -2.02 0.00 0.00 63.50 62.12 1vbe n PRO 141 Cb 0.38 -2.81 -0.05 0.00 -0.02 0.00 0.00 33.50 31.00 1vbe n PRO 141 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1vbe n PRO 142 N 5.17 2.22 -0.00 0.52 -0.02 -1.26 -4.88 135.00 136.73 1vbe n PRO 142 Ca 0.18 0.81 0.10 0.00 -2.02 0.00 0.00 63.50 62.58 1vbe n PRO 142 Cb 0.35 -2.66 -0.14 0.00 -0.02 0.00 0.00 33.50 31.03 1vbe n PRO 142 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1vbe n THR 143 N 5.06 0.00 -4.13 3.45 -2.24 -1.26 -4.95 114.28 110.21 1vbe n THR 143 Ca 0.22 -0.17 -0.16 0.00 -2.27 0.00 0.00 64.05 61.67 1vbe n THR 143 Cb 0.30 0.66 -0.12 0.00 -2.10 0.00 0.00 70.33 69.08 1vbe n THR 143 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1vbe s SER 144 N -3.49 1.37 0.36 3.42 1.04 -1.26 -4.60 113.70 110.54 1vbe s SER 144 Ca 0.03 -0.60 0.12 0.00 0.48 0.00 0.00 55.95 55.97 1vbe s SER 144 Cb 0.15 -0.02 0.90 0.00 0.10 0.00 0.00 66.02 67.16 1vbe s SER 144 CO 0.87 -0.13 1.81 -0.09 0.98 0.00 0.00 173.24 176.68 1vbe h ARG 145 N 4.32 0.58 -0.45 4.02 2.43 -1.94 -1.06 114.38 122.29 1vbe h ARG 145 Ca -0.39 -0.03 0.08 0.00 -0.81 0.00 0.00 59.98 58.83 1vbe h ARG 145 Cb 1.20 -0.13 -0.07 0.00 -0.42 0.00 0.00 29.97 30.54 1vbe h ARG 145 CO 0.41 0.38 0.01 -0.22 -1.51 0.00 0.00 179.97 179.04 1vbe h LYS 146 N 0.60 0.12 -0.21 0.20 1.63 -1.98 0.22 116.57 117.15 1vbe h LYS 146 Ca 0.54 -0.01 -0.13 0.00 -0.85 0.00 0.00 60.65 60.21 1vbe h LYS 146 Cb 1.06 -0.03 -0.00 0.00 -0.60 0.00 0.00 32.23 32.67 1vbe h LYS 146 CO -0.29 0.08 -0.36 0.93 -3.45 0.00 0.00 179.45 176.35 1vbe h GLU 147 N 0.12 0.62 -0.82 1.90 5.08 -1.65 -3.24 114.58 116.59 1vbe h GLU 147 Ca 0.22 -0.38 0.06 0.00 -1.00 0.00 0.00 59.36 58.26 1vbe h GLU 147 Cb 0.32 0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.56 1vbe h GLU 147 CO -0.36 1.00 0.54 0.00 -1.00 0.00 0.00 179.01 179.18 1vbe h ALA 148 N 0.62 1.58 -0.99 3.43 0.00 -0.76 -2.60 119.26 120.54 1vbe h ALA 148 Ca 0.01 -0.03 0.18 0.00 0.00 0.00 0.00 54.91 55.08 1vbe h ALA 148 Cb 0.96 -0.24 -0.10 0.00 0.00 0.00 0.00 17.79 18.40 1vbe h ALA 148 CO 0.08 0.30 0.61 0.00 0.00 0.00 0.00 179.25 180.25 1vbe h MET 149 N 0.93 0.73 0.00 0.00 -0.00 -0.60 -2.20 114.93 113.78 1vbe h MET 149 Ca 0.35 -0.04 0.00 0.00 -0.00 0.00 0.00 59.70 60.01 1vbe h MET 149 Cb 0.19 -0.16 0.00 0.00 -0.00 0.00 0.00 31.60 31.63 1vbe h MET 149 CO -0.12 0.48 0.00 -0.07 -0.00 0.00 0.00 176.91 177.20 1vbe h LEU 150 N 0.75 0.00 0.00 -0.10 3.38 -1.59 -3.44 115.31 114.31 1vbe h LEU 150 Ca 0.55 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.44 1vbe h LEU 150 Cb 0.88 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.64 1vbe h LEU 150 CO -0.33 0.00 -0.00 0.61 0.09 0.00 0.00 178.44 178.80 1vbe n GLY 151 N -0.54 1.56 3.68 0.83 0.00 -0.83 -5.03 105.19 104.86 1vbe n GLY 151 Ca -0.00 -2.09 -0.42 0.00 0.00 0.00 0.00 46.02 43.51 1vbe n GLY 151 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1vbe s THR 152 N 0.14 3.12 0.06 2.61 2.01 -0.31 -4.82 115.64 118.43 1vbe s THR 152 Ca 0.11 0.39 -0.15 0.00 0.31 0.00 0.00 61.69 62.35 1vbe s THR 152 Cb -0.01 -3.25 0.02 0.00 0.01 0.00 0.00 72.50 69.28 1vbe s THR 152 CO 0.07 -0.02 0.33 -1.38 -0.69 0.00 0.00 174.62 172.94 1vbe s HIS 153 N 3.42 -0.14 -0.11 4.92 -0.00 -1.26 -0.04 115.29 122.09 1vbe s HIS 153 Ca 0.78 -0.02 0.02 0.00 -0.00 0.00 0.00 55.06 55.84 1vbe s HIS 153 Cb -0.39 0.13 0.01 0.00 -0.00 0.00 0.00 32.58 32.33 1vbe s HIS 153 CO 0.34 -0.55 -0.18 0.08 -0.00 0.00 0.00 174.74 174.43 1vbe s VAL 154 N -2.79 1.68 -0.51 -5.38 1.01 0.04 -5.00 120.40 109.45 1vbe s VAL 154 Ca -0.03 -0.77 -0.19 0.00 0.00 0.00 0.00 61.98 60.99 1vbe s VAL 154 Cb -0.00 -1.50 0.06 0.00 0.00 0.00 0.00 36.38 34.94 1vbe s VAL 154 CO -0.05 0.48 0.63 -0.63 0.00 0.00 0.00 175.10 175.53 1vbe s ILE 155 N 0.76 4.86 -0.16 2.22 1.01 -1.26 -1.32 121.20 127.31 1vbe s ILE 155 Ca -0.11 -0.49 -0.27 0.00 0.00 0.00 0.00 60.65 59.79 1vbe s ILE 155 Cb -0.16 -4.31 -0.01 0.00 0.01 0.00 0.00 42.46 37.99 1vbe s ILE 155 CO 0.01 -0.82 0.91 0.86 0.00 0.00 0.00 174.94 175.91 1vbe s TRP 156 N 2.66 3.43 -0.27 3.97 -0.00 0.96 -4.95 118.94 124.75 1vbe s TRP 156 Ca 0.15 1.38 -0.09 0.00 -0.00 0.00 0.00 56.10 57.55 1vbe s TRP 156 Cb -0.19 -3.10 -0.03 0.00 -0.00 0.00 0.00 33.47 30.14 1vbe s TRP 156 CO 0.12 -0.27 0.12 0.34 -0.00 0.00 0.00 176.95 177.26 1vbe s ASP 157 N 1.15 5.49 0.28 5.86 2.15 -1.26 -1.05 116.67 129.28 1vbe s ASP 157 Ca 0.42 -0.16 -0.29 0.00 0.43 0.00 0.00 52.55 52.95 1vbe s ASP 157 Cb -0.17 -2.00 -0.10 0.00 -0.30 0.00 0.00 42.92 40.35 1vbe s ASP 157 CO 0.13 -0.05 1.31 -0.76 -0.17 0.00 0.00 175.17 175.62 1vbe s LEU 158 N 1.67 4.43 0.00 -1.34 1.43 -0.25 -4.94 118.68 119.67 1vbe s LEU 158 Ca 0.06 2.56 0.00 0.00 -1.03 0.00 0.00 54.13 55.73 1vbe s LEU 158 Cb -0.16 -3.63 0.00 0.00 0.03 0.00 0.00 46.19 42.43 1vbe s LEU 158 CO 0.07 -0.52 0.00 0.61 0.23 0.00 0.00 176.35 176.74 1vbe n GLY 159 N 1.49 -0.71 0.37 -3.19 0.00 -1.26 -4.60 105.19 97.29 1vbe n GLY 159 Ca 0.03 -0.41 0.05 0.00 0.00 0.00 0.00 46.02 45.69 1vbe n GLY 159 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1vbe h LEU 160 N 0.00 0.96 -8.38 0.99 3.38 -1.98 -3.28 115.31 107.00 1vbe h LEU 160 Ca 0.00 0.03 -0.55 0.00 0.09 0.00 0.00 57.88 57.45 1vbe h LEU 160 Cb 0.00 -0.17 -0.08 0.00 0.09 0.00 0.00 40.66 40.49 1vbe h LEU 160 CO 0.00 0.57 1.00 -1.10 0.09 0.00 0.00 178.44 179.00 1vbe s GLN 161 N -5.97 3.23 0.53 1.13 -1.52 -1.26 -4.87 119.66 110.93 1vbe s GLN 161 Ca -0.12 -0.22 0.22 0.00 -1.95 0.00 0.00 55.36 53.29 1vbe s GLN 161 Cb 0.21 -4.16 1.37 0.00 -0.22 0.00 0.00 33.01 30.21 1vbe s GLN 161 CO 0.81 -2.05 2.06 0.66 -0.25 0.00 0.00 175.29 176.52 1vbe h SER 162 N 9.91 0.00 -3.45 5.90 4.64 -1.95 -3.46 113.55 125.14 1vbe h SER 162 Ca -0.28 0.00 -0.64 0.00 -0.47 0.00 0.00 61.79 60.40 1vbe h SER 162 Cb 1.05 0.00 -0.19 0.00 -0.31 0.00 0.00 62.40 62.95 1vbe h SER 162 CO 1.26 0.00 -0.83 -0.44 -0.87 0.00 0.00 176.83 175.95 1vbe s SER 163 N -6.51 3.26 -0.02 4.97 0.01 -1.26 -2.33 113.70 111.82 1vbe s SER 163 Ca -0.05 -0.83 0.03 0.00 1.31 0.00 0.00 55.95 56.41 1vbe s SER 163 Cb 0.18 -0.23 -0.00 0.00 0.21 0.00 0.00 66.02 66.18 1vbe s SER 163 CO 0.69 0.11 -0.10 0.00 0.41 0.00 0.00 173.24 174.35 1vbe s THR 165 N 0.01 3.67 -0.20 0.00 2.01 -1.26 -0.78 115.64 119.09 1vbe s THR 165 Ca -0.00 -0.43 -0.05 0.00 0.31 0.00 0.00 61.69 61.51 1vbe s THR 165 Cb -0.07 -2.60 -0.02 0.00 0.01 0.00 0.00 72.50 69.81 1vbe s THR 165 CO 0.00 0.49 -0.01 -0.32 -0.69 0.00 0.00 174.62 174.10 1vbe s MET 166 N 0.47 3.60 -0.11 4.92 1.75 0.17 -4.98 119.30 125.12 1vbe s MET 166 Ca -0.05 -0.53 -0.21 0.00 -1.25 0.00 0.00 55.69 53.65 1vbe s MET 166 Cb -0.15 -3.06 -0.04 0.00 2.84 0.00 0.00 34.83 34.42 1vbe s MET 166 CO 0.03 0.01 0.60 0.08 -0.65 0.00 0.00 175.02 175.08 1vbe s VAL 167 N 1.01 5.10 -0.69 10.11 1.01 -1.26 -1.00 120.40 134.67 1vbe s VAL 167 Ca 0.02 1.20 -0.20 0.00 0.00 0.00 0.00 61.98 63.00 1vbe s VAL 167 Cb -0.14 -3.93 0.10 0.00 0.00 0.00 0.00 36.38 32.41 1vbe s VAL 167 CO 0.02 0.25 0.88 -0.69 0.00 0.00 0.00 175.10 175.56 1vbe s VAL 168 N 0.95 4.67 0.35 2.92 1.01 0.89 -4.99 120.40 126.20 1vbe s VAL 168 Ca 0.31 -0.97 -0.28 0.00 0.00 0.00 0.00 61.98 61.03 1vbe s VAL 168 Cb -0.16 -4.61 -0.10 0.00 0.00 0.00 0.00 36.38 31.50 1vbe s VAL 168 CO 0.13 -1.31 1.34 -2.16 0.00 0.00 0.00 175.10 173.11 1vbe s PRO 169 N 3.02 4.28 -0.54 2.72 0.04 -1.26 -2.18 135.00 141.08 1vbe s PRO 169 Ca 0.20 2.28 -0.26 0.00 0.04 0.00 0.00 61.00 63.26 1vbe s PRO 169 Cb -0.17 -3.03 -0.08 0.00 0.04 0.00 0.00 34.50 31.26 1vbe s PRO 169 CO 0.04 -0.28 2.41 -0.46 0.04 0.00 0.00 177.00 178.75 1vbe s TRP 170 N -1.15 1.08 -0.32 0.56 -0.11 -1.26 -4.89 118.94 112.85 1vbe s TRP 170 Ca 0.50 1.65 0.03 0.00 1.22 0.00 0.00 56.10 59.50 1vbe s TRP 170 Cb -0.41 -3.55 0.08 0.00 -1.50 0.00 0.00 33.47 28.09 1vbe s TRP 170 CO 0.55 -2.38 0.01 0.42 -4.62 0.00 0.00 176.95 170.93 1vbe s ILE 171 N 12.67 2.39 0.05 5.86 1.01 -1.26 -4.99 121.20 136.93 1vbe s ILE 171 Ca 0.97 -2.03 -0.08 0.00 0.00 0.00 0.00 60.65 59.51 1vbe s ILE 171 Cb -0.16 -2.62 -0.00 0.00 0.01 0.00 0.00 42.46 39.69 1vbe s ILE 171 CO 0.23 -0.39 0.17 -0.55 0.00 0.00 0.00 174.94 174.40 1vbe s SER 172 N 1.07 0.09 -0.13 3.58 0.15 -1.26 -4.94 113.70 112.26 1vbe s SER 172 Ca 0.03 -0.46 -0.29 0.00 0.70 0.00 0.00 55.95 55.93 1vbe s SER 172 Cb -0.20 0.29 -0.26 0.00 -1.71 0.00 0.00 66.02 64.14 1vbe s SER 172 CO -0.06 -0.58 0.81 -0.55 1.20 0.00 0.00 173.24 174.06 1vbe h ASN 173 N 3.35 0.02 -4.04 5.45 -1.07 -1.96 -3.47 115.58 113.86 1vbe h ASN 173 Ca -0.33 -0.96 -0.47 0.00 0.07 0.00 0.00 56.30 54.61 1vbe h ASN 173 Cb 1.19 -0.01 0.00 0.00 -2.07 0.00 0.00 38.32 37.44 1vbe h ASN 173 CO 0.50 0.98 0.30 0.68 0.07 0.00 0.00 177.43 179.96 1vbe s VAL 174 N -2.37 4.57 0.30 6.14 -7.23 -1.26 -4.98 120.40 115.56 1vbe s VAL 174 Ca -0.19 1.13 0.09 0.00 -1.81 0.00 0.00 61.98 61.20 1vbe s VAL 174 Cb -0.03 -3.69 0.02 0.00 0.56 0.00 0.00 36.38 33.24 1vbe s VAL 174 CO 0.69 -0.56 1.68 0.71 -0.31 0.00 0.00 175.10 177.32 1vbe h THR 175 N 1.20 1.35 -3.46 5.32 1.35 -1.98 -3.42 112.91 113.27 1vbe h THR 175 Ca -0.47 -1.69 -0.37 0.00 -0.55 0.00 0.00 66.41 63.33 1vbe h THR 175 Cb 1.18 1.85 -0.34 0.00 -1.73 0.00 0.00 68.15 69.11 1vbe h THR 175 CO 0.62 0.49 -0.75 -0.31 -0.25 0.00 0.00 175.52 175.32 1vbe s TYR 176 N -3.96 0.44 0.53 4.73 1.51 -1.26 -4.78 117.35 114.56 1vbe s TYR 176 Ca -0.03 -0.05 -0.06 0.00 -1.01 0.00 0.00 57.07 55.92 1vbe s TYR 176 Cb 0.13 -0.50 -0.02 0.00 -0.11 0.00 0.00 41.96 41.46 1vbe s TYR 176 CO 0.76 -0.16 0.84 1.03 -1.11 0.00 0.00 175.55 176.91 1vbe s ARG 177 N 1.12 3.29 0.38 -0.62 0.52 0.48 -4.83 118.95 119.29 1vbe s ARG 177 Ca -0.08 0.14 -0.20 0.00 -0.52 0.00 0.00 55.73 55.07 1vbe s ARG 177 Cb -0.14 -2.32 -0.10 0.00 0.52 0.00 0.00 34.95 32.91 1vbe s ARG 177 CO -0.02 -0.42 0.88 -0.65 0.02 0.00 0.00 175.30 175.11 1vbe s GLN 178 N -4.86 4.21 0.23 3.54 -0.21 -1.26 -0.52 119.66 120.79 1vbe s GLN 178 Ca 0.50 1.01 0.11 0.00 0.02 0.00 0.00 55.36 57.00 1vbe s GLN 178 Cb -0.10 -2.36 0.16 0.00 1.00 0.00 0.00 33.01 31.70 1vbe s GLN 178 CO 0.45 0.08 1.49 1.79 -2.12 0.00 0.00 175.29 176.98 1vbe h THR 179 N 2.06 1.37 -4.29 -0.19 1.35 -1.43 -3.44 112.91 108.33 1vbe h THR 179 Ca -0.48 -2.51 -0.51 0.00 -0.55 0.00 0.00 66.41 62.35 1vbe h THR 179 Cb 1.18 2.41 0.12 0.00 -1.73 0.00 0.00 68.15 70.13 1vbe h THR 179 CO 0.63 0.69 0.34 0.42 -0.25 0.00 0.00 175.52 177.34 1vbe s THR 180 N -3.19 3.39 0.07 6.82 -4.23 -1.26 -3.71 115.64 113.54 1vbe s THR 180 Ca 0.01 0.50 -0.31 0.00 -1.18 0.00 0.00 61.69 60.71 1vbe s THR 180 Cb 0.11 -3.02 -0.07 0.00 1.34 0.00 0.00 72.50 70.86 1vbe s THR 180 CO 0.77 -0.54 1.42 -1.58 -0.54 0.00 0.00 174.62 174.14 1vbe s GLN 181 N -4.71 4.30 -0.30 3.99 2.00 -1.26 -4.98 119.66 118.69 1vbe s GLN 181 Ca 0.62 2.06 -0.09 0.00 -2.00 0.00 0.00 55.36 55.95 1vbe s GLN 181 Cb -0.18 -3.40 0.16 0.00 0.80 0.00 0.00 33.01 30.39 1vbe s GLN 181 CO 0.52 -0.51 0.74 0.34 -0.50 0.00 0.00 175.29 175.87 1vbe s ASP 182 N 1.52 -1.04 0.34 6.67 2.15 -1.26 -5.05 116.67 119.99 1vbe s ASP 182 Ca 0.65 1.15 0.11 0.00 0.43 0.00 0.00 52.55 54.89 1vbe s ASP 182 Cb -0.35 2.07 0.90 0.00 -0.30 0.00 0.00 42.92 45.24 1vbe s ASP 182 CO 0.29 -0.20 1.78 0.28 -0.17 0.00 0.00 175.17 177.15 1vbe h SER 183 N 7.90 0.64 -0.86 -0.34 0.02 -1.99 -0.76 113.55 118.16 1vbe h SER 183 Ca -0.18 0.09 0.05 0.00 -0.84 0.00 0.00 61.79 60.91 1vbe h SER 183 Cb 1.12 -0.02 -0.05 0.00 0.14 0.00 0.00 62.40 63.60 1vbe h SER 183 CO 0.12 0.18 0.56 0.15 -1.14 0.00 0.00 176.83 176.71 1vbe h PHE 184 N 0.60 1.00 -0.54 3.45 3.57 -2.01 -2.71 116.94 120.30 1vbe h PHE 184 Ca 0.58 0.03 -0.29 0.00 3.53 0.00 0.00 57.97 61.81 1vbe h PHE 184 Cb 1.14 -0.33 -0.17 0.00 2.79 0.00 0.00 35.95 39.38 1vbe h PHE 184 CO -0.00 0.54 0.08 0.25 -2.23 0.00 0.00 178.31 176.95 1vbe n THR 185 N -4.47 2.75 -1.86 4.41 -2.24 -0.34 -4.96 114.28 107.57 1vbe n THR 185 Ca 0.12 -2.66 -0.34 0.00 -2.27 0.00 0.00 64.05 58.90 1vbe n THR 185 Cb 0.17 -0.42 0.04 0.00 -2.10 0.00 0.00 70.33 68.02 1vbe n THR 185 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1vbe s GLU 186 N -3.31 2.83 0.00 -0.78 -1.05 -0.91 -4.51 118.70 110.96 1vbe s GLU 186 Ca 0.48 1.62 0.14 0.00 -0.15 0.00 0.00 54.97 57.06 1vbe s GLU 186 Cb 0.43 -1.93 -0.08 0.00 -0.44 0.00 0.00 34.13 32.10 1vbe s GLU 186 CO 0.02 -1.27 0.67 0.41 0.95 0.00 0.00 175.26 176.04 1vbe n GLY 187 N 0.05 -0.19 0.00 -3.83 0.00 -1.25 -4.79 105.19 95.19 1vbe n GLY 187 Ca 0.12 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.74 1vbe n GLY 187 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vbe n GLY 188 N 1.21 -1.17 3.16 -0.02 0.00 -1.26 -4.29 105.19 102.82 1vbe n GLY 188 Ca 0.04 -2.12 -0.24 0.00 0.00 0.00 0.00 46.02 43.70 1vbe n GLY 188 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1vbe s TYR 189 N 0.00 1.50 -0.13 1.61 2.02 -0.04 -0.60 117.35 121.70 1vbe s TYR 189 Ca 0.00 -0.29 -0.01 0.00 -0.37 0.00 0.00 57.07 56.40 1vbe s TYR 189 Cb 0.00 -0.95 -0.02 0.00 -0.40 0.00 0.00 41.96 40.59 1vbe s TYR 189 CO 0.00 -0.02 -0.10 0.42 -1.57 0.00 0.00 175.55 174.29 1vbe s ILE 190 N -0.44 3.37 0.03 2.71 1.01 0.16 -0.45 121.20 127.59 1vbe s ILE 190 Ca 0.06 -0.55 -0.01 0.00 0.00 0.00 0.00 60.65 60.15 1vbe s ILE 190 Cb -0.07 -2.43 -0.02 0.00 0.01 0.00 0.00 42.46 39.95 1vbe s ILE 190 CO -0.00 0.52 -0.02 -0.94 0.00 0.00 0.00 174.94 174.50 1vbe s SER 191 N 0.25 0.28 -0.03 3.58 1.04 -0.43 -0.57 113.70 117.82 1vbe s SER 191 Ca -0.07 -0.59 0.04 0.00 0.48 0.00 0.00 55.95 55.82 1vbe s SER 191 Cb -0.15 0.13 -0.01 0.00 0.10 0.00 0.00 66.02 66.09 1vbe s SER 191 CO 0.04 -0.37 -0.16 -0.32 0.98 0.00 0.00 173.24 173.41 1vbe s MET 192 N -1.99 1.53 0.07 4.02 1.75 -0.62 -0.61 119.30 123.44 1vbe s MET 192 Ca -0.11 -0.58 0.01 0.00 -1.25 0.00 0.00 55.69 53.76 1vbe s MET 192 Cb -0.06 -1.39 -0.04 0.00 2.84 0.00 0.00 34.83 36.18 1vbe s MET 192 CO -0.03 0.28 -0.06 -0.06 -0.65 0.00 0.00 175.02 174.51 1vbe s PHE 193 N -0.13 0.72 -0.13 4.11 0.08 0.13 -0.09 117.98 122.67 1vbe s PHE 193 Ca 0.01 -0.86 -0.29 0.00 0.12 0.00 0.00 56.93 55.90 1vbe s PHE 193 Cb -0.09 -0.45 -0.01 0.00 -0.57 0.00 0.00 43.02 41.90 1vbe s PHE 193 CO 0.01 -0.20 1.07 0.71 -0.10 0.00 0.00 175.22 176.71 1vbe s TYR 194 N -3.18 3.36 0.06 0.36 2.02 -1.26 -0.41 117.35 118.30 1vbe s TYR 194 Ca 0.05 1.45 -0.15 0.00 -0.37 0.00 0.00 57.07 58.06 1vbe s TYR 194 Cb 0.02 -3.27 -0.29 0.00 -0.40 0.00 0.00 41.96 38.02 1vbe s TYR 194 CO -0.05 -0.59 1.10 0.37 -1.57 0.00 0.00 175.55 174.81 1vbe h GLN 195 N 7.33 0.62 0.00 -0.62 5.75 -0.78 -3.45 115.11 123.96 1vbe h GLN 195 Ca -0.28 -0.83 0.00 0.00 -0.15 0.00 0.00 58.65 57.38 1vbe h GLN 195 Cb 1.12 0.28 0.00 0.00 1.07 0.00 0.00 27.48 29.95 1vbe h GLN 195 CO 0.90 1.38 0.00 0.25 -2.65 0.00 0.00 178.83 178.71 1vbe n THR 196 N -3.78 0.00 -3.82 2.39 -2.24 -0.95 -5.00 114.28 100.88 1vbe n THR 196 Ca -0.14 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.59 1vbe n THR 196 Cb 0.99 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 69.21 1vbe n THR 196 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1vbe s ARG 197 N 1.74 1.55 -0.07 -0.78 1.70 -1.26 -4.92 118.95 116.91 1vbe s ARG 197 Ca 0.00 -0.87 -0.30 0.00 -0.47 0.00 0.00 55.73 54.09 1vbe s ARG 197 Cb 0.00 0.52 -0.03 0.00 -0.57 0.00 0.00 34.95 34.87 1vbe s ARG 197 CO 0.00 -0.71 1.15 0.42 -1.08 0.00 0.00 175.30 175.07 1vbe s ILE 198 N -3.54 4.41 -0.16 4.99 -1.09 -1.26 -4.02 121.20 120.52 1vbe s ILE 198 Ca 0.12 1.71 0.01 0.00 -2.23 0.00 0.00 60.65 60.26 1vbe s ILE 198 Cb -0.04 -4.10 0.01 0.00 -1.58 0.00 0.00 42.46 36.75 1vbe s ILE 198 CO 0.05 -0.00 -0.19 -0.69 -1.23 0.00 0.00 174.94 172.88 1vbe s VAL 199 N 2.19 2.26 0.27 2.92 1.01 -0.19 -4.26 120.40 124.59 1vbe s VAL 199 Ca 0.54 -0.89 0.10 0.00 0.00 0.00 0.00 61.98 61.72 1vbe s VAL 199 Cb -0.23 -1.94 -0.05 0.00 0.00 0.00 0.00 36.38 34.17 1vbe s VAL 199 CO 0.20 0.53 -0.05 0.68 0.00 0.00 0.00 175.10 176.46 1vbe s VAL 200 N 1.06 3.16 0.85 2.92 -7.23 -1.26 -1.13 120.40 118.77 1vbe s VAL 200 Ca -0.01 -2.04 -0.10 0.00 -1.81 0.00 0.00 61.98 58.03 1vbe s VAL 200 Cb -0.14 -2.70 0.19 0.00 0.56 0.00 0.00 36.38 34.28 1vbe s VAL 200 CO -0.06 -0.37 1.16 -0.81 -0.31 0.00 0.00 175.10 174.71 1vbe n PRO 201 N -0.83 -0.79 -0.93 4.82 -0.04 -1.26 -5.05 135.00 130.92 1vbe n PRO 201 Ca -0.06 -2.27 -0.30 0.00 -0.04 0.00 0.00 63.50 60.84 1vbe n PRO 201 Cb 0.59 -1.05 0.18 0.00 -0.04 0.00 0.00 33.50 33.18 1vbe n PRO 201 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1vbe s LEU 202 N 0.00 1.95 -1.57 1.53 1.43 -1.26 -3.59 118.68 117.17 1vbe s LEU 202 Ca 0.70 1.61 0.00 0.00 -1.03 0.00 0.00 54.13 55.41 1vbe s LEU 202 Cb -0.03 -3.88 0.00 0.00 0.03 0.00 0.00 46.19 42.32 1vbe s LEU 202 CO 0.48 -3.17 0.00 -1.20 0.23 0.00 0.00 176.35 172.69 1vbe n SER 203 N -4.24 -5.12 -4.34 2.29 7.64 -1.26 -4.96 113.62 103.63 1vbe n SER 203 Ca 0.07 0.37 -0.31 0.00 1.01 0.00 0.00 58.87 60.00 1vbe n SER 203 Cb 0.54 -4.20 -0.15 0.00 -1.01 0.00 0.00 64.21 59.39 1vbe n SER 203 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1vbe s THR 204 N -2.23 2.27 0.09 0.44 2.01 -1.24 -5.09 115.64 111.90 1vbe s THR 204 Ca 0.00 -1.02 -0.31 0.00 0.31 0.00 0.00 61.69 60.67 1vbe s THR 204 Cb 0.00 -1.82 -0.09 0.00 0.01 0.00 0.00 72.50 70.60 1vbe s THR 204 CO 0.00 0.58 1.68 -2.16 -0.69 0.00 0.00 174.62 174.03 1vbe s PRO 205 N -0.54 4.19 -0.01 4.92 0.04 -1.26 -4.90 135.00 137.44 1vbe s PRO 205 Ca 0.08 2.39 0.10 0.00 0.04 0.00 0.00 61.00 63.60 1vbe s PRO 205 Cb -0.11 -3.54 0.30 0.00 0.04 0.00 0.00 34.50 31.19 1vbe s PRO 205 CO 0.00 -0.74 1.23 0.36 0.04 0.00 0.00 177.00 177.89 1vbe n LYS 206 N 5.42 1.83 -3.79 4.56 2.85 -1.26 -4.81 118.16 122.96 1vbe n LYS 206 Ca 0.16 -1.20 -0.13 0.00 -1.05 0.00 0.00 58.31 56.09 1vbe n LYS 206 Cb 0.40 -1.29 -0.13 0.00 -0.65 0.00 0.00 35.03 33.35 1vbe n LYS 206 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 1vbe s SER 207 N -0.96 -0.16 0.24 -5.58 0.15 -1.26 -1.50 113.70 104.63 1vbe s SER 207 Ca 0.22 0.33 -0.18 0.00 0.70 0.00 0.00 55.95 57.03 1vbe s SER 207 Cb 0.12 0.29 0.02 0.00 -1.71 0.00 0.00 66.02 64.74 1vbe s SER 207 CO 0.15 -0.09 0.58 0.00 1.20 0.00 0.00 173.24 175.07 1vbe s MET 208 N 0.51 1.56 0.06 5.44 0.23 -0.05 -5.00 119.30 122.05 1vbe s MET 208 Ca -0.04 -0.99 -0.09 0.00 -1.03 0.00 0.00 55.69 53.54 1vbe s MET 208 Cb -0.05 0.54 -0.05 0.00 -1.53 0.00 0.00 34.83 33.74 1vbe s MET 208 CO -0.02 -0.68 0.36 -1.12 -2.03 0.00 0.00 175.02 171.53 1vbe s SER 209 N -2.92 6.60 -0.13 -1.18 0.01 -1.26 -0.43 113.70 114.39 1vbe s SER 209 Ca 0.13 0.72 0.01 0.00 1.31 0.00 0.00 55.95 58.12 1vbe s SER 209 Cb -0.03 -2.15 -0.01 0.00 0.21 0.00 0.00 66.02 64.04 1vbe s SER 209 CO 0.03 0.19 -0.16 -0.32 0.41 0.00 0.00 173.24 173.39 1vbe s MET 210 N -1.87 3.26 0.08 12.44 0.00 0.29 -0.96 119.30 132.55 1vbe s MET 210 Ca 0.31 -0.75 0.02 0.00 0.00 0.00 0.00 55.69 55.28 1vbe s MET 210 Cb -0.14 -2.55 -0.04 0.00 0.00 0.00 0.00 34.83 32.11 1vbe s MET 210 CO 0.18 0.16 0.15 -0.51 0.00 0.00 0.00 175.02 174.99 1vbe s LEU 211 N 0.46 4.05 0.04 4.11 1.43 -0.26 -1.69 118.68 126.82 1vbe s LEU 211 Ca -0.12 0.10 0.05 0.00 -1.03 0.00 0.00 54.13 53.14 1vbe s LEU 211 Cb -0.16 -2.69 -0.02 0.00 0.03 0.00 0.00 46.19 43.34 1vbe s LEU 211 CO 0.05 0.15 -0.16 -0.83 0.23 0.00 0.00 176.35 175.80 1vbe s GLY 212 N -2.56 0.87 0.02 -3.19 0.00 -1.26 -0.51 107.32 100.69 1vbe s GLY 212 Ca 0.32 -0.89 0.04 0.00 0.00 0.00 0.00 44.72 44.18 1vbe s GLY 212 CO 0.25 -0.86 -0.12 -1.36 0.00 0.00 0.00 173.10 171.01 1vbe s PHE 213 N -0.87 1.03 0.02 1.90 0.40 0.67 -0.59 117.98 120.53 1vbe s PHE 213 Ca 0.03 -0.30 0.04 0.00 -0.60 0.00 0.00 56.93 56.09 1vbe s PHE 213 Cb -0.08 -0.63 -0.01 0.00 0.51 0.00 0.00 43.02 42.81 1vbe s PHE 213 CO 0.01 0.00 -0.11 0.54 0.70 0.00 0.00 175.22 176.36 1vbe s VAL 214 N -0.69 0.90 0.19 -0.44 0.11 -0.86 -0.66 120.40 118.96 1vbe s VAL 214 Ca 0.01 -0.71 -0.18 0.00 -2.93 0.00 0.00 61.98 58.16 1vbe s VAL 214 Cb -0.07 -0.80 0.03 0.00 -1.53 0.00 0.00 36.38 34.02 1vbe s VAL 214 CO 0.01 0.08 0.53 -0.94 -3.33 0.00 0.00 175.10 171.45 1vbe s SER 215 N -0.71 -0.30 -0.07 3.54 1.04 -0.91 -2.71 113.70 113.57 1vbe s SER 215 Ca 0.02 -0.40 -0.14 0.00 0.48 0.00 0.00 55.95 55.91 1vbe s SER 215 Cb -0.06 0.58 -0.05 0.00 0.10 0.00 0.00 66.02 66.59 1vbe s SER 215 CO 0.00 -1.04 0.35 0.00 0.98 0.00 0.00 173.24 173.53 1vbe s ALA 216 N -3.85 3.67 0.76 5.32 0.00 0.03 -0.74 121.76 126.95 1vbe s ALA 216 Ca 0.07 -0.34 -0.11 0.00 0.00 0.00 0.00 51.96 51.58 1vbe s ALA 216 Cb -0.01 -2.35 0.05 0.00 0.00 0.00 0.00 23.12 20.80 1vbe s ALA 216 CO -0.05 0.35 1.09 0.00 0.00 0.00 0.00 175.76 177.16 1vbe n ASN 218 N -3.36 0.00 -0.58 0.00 2.04 -1.26 -1.19 115.26 110.91 1vbe n ASN 218 Ca 0.09 0.24 0.13 0.00 -0.44 0.00 0.00 54.58 54.60 1vbe n ASN 218 Cb 0.53 -0.24 0.42 0.00 -2.53 0.00 0.00 39.78 37.96 1vbe n ASN 218 CO 0.00 0.00 0.00 -0.90 -0.44 0.00 0.00 177.26 175.92 1vbe n ASP 219 N -1.19 1.83 -4.74 0.53 5.75 -1.26 -4.97 116.55 112.51 1vbe n ASP 219 Ca 0.00 -1.59 -0.41 0.00 -0.01 0.00 0.00 54.79 52.78 1vbe n ASP 219 Cb 0.08 0.01 -0.04 0.00 -1.03 0.00 0.00 41.12 40.14 1vbe n ASP 219 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 1vbe s PHE 220 N -2.02 3.54 0.03 2.11 2.19 -0.33 -4.38 117.98 119.12 1vbe s PHE 220 Ca 0.35 1.54 -0.10 0.00 0.33 0.00 0.00 56.93 59.05 1vbe s PHE 220 Cb 0.21 -3.32 0.01 0.00 -1.31 0.00 0.00 43.02 38.60 1vbe s PHE 220 CO 0.33 -0.79 0.20 -1.54 1.83 0.00 0.00 175.22 175.26 1vbe s SER 221 N 0.03 0.01 0.11 6.13 1.04 0.02 -4.98 113.70 116.06 1vbe s SER 221 Ca 0.51 -0.30 0.05 0.00 0.48 0.00 0.00 55.95 56.69 1vbe s SER 221 Cb -0.30 0.28 -0.04 0.00 0.10 0.00 0.00 66.02 66.06 1vbe s SER 221 CO 0.35 -0.52 -0.14 0.68 0.98 0.00 0.00 173.24 174.59 1vbe s VAL 222 N -2.29 1.22 0.28 5.02 -7.23 -1.26 -0.94 120.40 115.20 1vbe s VAL 222 Ca -0.07 -1.61 -0.07 0.00 -1.81 0.00 0.00 61.98 58.42 1vbe s VAL 222 Cb -0.02 -1.40 -0.01 0.00 0.56 0.00 0.00 36.38 35.51 1vbe s VAL 222 CO -0.02 -0.39 0.41 0.00 -0.31 0.00 0.00 175.10 174.79 1vbe s ARG 223 N -2.47 1.63 -0.34 4.82 1.70 -0.23 -5.00 118.95 119.05 1vbe s ARG 223 Ca 0.06 -1.52 -0.15 0.00 -0.47 0.00 0.00 55.73 53.64 1vbe s ARG 223 Cb -0.06 0.42 0.02 0.00 -0.57 0.00 0.00 34.95 34.77 1vbe s ARG 223 CO 0.02 -0.66 0.39 -0.11 -1.08 0.00 0.00 175.30 173.86 1vbe n LEU 224 N -0.43 -6.10 -4.68 -1.89 0.00 -1.26 -1.46 117.00 101.18 1vbe n LEU 224 Ca 0.00 0.58 -0.45 0.00 0.00 0.00 0.00 56.01 56.14 1vbe n LEU 224 Cb 0.62 -2.72 -0.03 0.00 0.00 0.00 0.00 43.42 41.30 1vbe n LEU 224 CO 0.27 -1.90 1.11 -0.11 0.00 0.00 0.00 177.39 176.76 1vbe n LEU 225 N 0.20 3.30 -4.08 -1.96 7.94 -1.26 -0.23 117.00 120.91 1vbe n LEU 225 Ca 0.03 1.12 -0.10 0.00 -1.11 0.00 0.00 56.01 55.95 1vbe n LEU 225 Cb 0.41 -1.46 -0.08 0.00 0.53 0.00 0.00 43.42 42.82 1vbe n LEU 225 CO 0.42 -0.33 -0.11 0.00 -1.11 0.00 0.00 177.39 176.27 1vbe s ARG 226 N -0.02 1.19 0.22 1.96 1.70 0.06 -4.86 118.95 119.20 1vbe s ARG 226 Ca 0.71 -1.38 -0.29 0.00 -0.47 0.00 0.00 55.73 54.29 1vbe s ARG 226 Cb -0.63 0.33 -0.09 0.00 -0.57 0.00 0.00 34.95 33.99 1vbe s ARG 226 CO 0.46 -0.42 0.92 -0.51 -1.08 0.00 0.00 175.30 174.67 1vbe s ASP 227 N -3.05 7.60 0.31 -2.89 1.01 -1.26 -4.41 116.67 113.99 1vbe s ASP 227 Ca 0.26 1.89 -0.26 0.00 0.71 0.00 0.00 52.55 55.15 1vbe s ASP 227 Cb 0.05 -2.59 -0.10 0.00 1.01 0.00 0.00 42.92 41.29 1vbe s ASP 227 CO 0.06 0.15 0.94 0.28 0.21 0.00 0.00 175.17 176.81 1vbe s THR 228 N -1.10 4.20 -1.03 -1.27 -1.32 -1.25 -4.88 115.64 108.99 1vbe s THR 228 Ca 0.41 1.85 0.20 0.00 -1.21 0.00 0.00 61.69 62.94 1vbe s THR 228 Cb -0.25 -4.04 0.18 0.00 -1.51 0.00 0.00 72.50 66.88 1vbe s THR 228 CO 0.31 0.18 1.66 0.35 -2.21 0.00 0.00 174.62 174.90 1vbe n THR 229 N 0.65 0.57 1.75 5.08 -2.24 -1.26 -4.07 114.28 114.76 1vbe n THR 229 Ca 0.02 0.14 0.00 0.00 -2.27 0.00 0.00 64.05 61.94 1vbe n THR 229 Cb 0.50 -0.79 0.01 0.00 -2.10 0.00 0.00 70.33 67.94 1vbe n THR 229 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1vbe n HIS 230 N -1.49 0.02 -3.59 4.78 8.25 -1.26 -4.82 115.22 117.12 1vbe n HIS 230 Ca 0.05 -0.01 -0.17 0.00 -0.26 0.00 0.00 57.72 57.34 1vbe n HIS 230 Cb 0.23 -0.02 -0.07 0.00 1.12 0.00 0.00 29.99 31.25 1vbe n HIS 230 CO 0.00 0.00 0.00 -1.50 0.64 0.00 0.00 176.34 175.48 1vbe s ILE 231 N -1.78 0.02 0.15 1.59 1.10 -1.26 -5.19 121.20 115.84 1vbe s ILE 231 Ca 0.01 -0.13 -0.25 0.00 -0.51 0.00 0.00 60.65 59.77 1vbe s ILE 231 Cb 0.00 -0.90 0.06 0.00 0.15 0.00 0.00 42.46 41.78 1vbe s ILE 231 CO 0.00 -0.07 0.84 -0.94 -2.11 0.00 0.00 174.94 172.66 1vbe s SER 232 N -1.24 -0.29 -0.01 4.50 1.04 -1.26 -4.98 113.70 111.46 1vbe s SER 232 Ca -0.12 -0.31 0.01 0.00 0.48 0.00 0.00 55.95 56.00 1vbe s SER 232 Cb -0.01 0.54 0.01 0.00 0.10 0.00 0.00 66.02 66.66 1vbe s SER 232 CO 0.08 -0.96 -0.01 0.00 0.98 0.00 0.00 173.24 173.33 1vbe s GLN 233 N -3.46 0.23 0.80 4.02 -2.07 -1.26 -5.16 119.66 112.76 1vbe s GLN 233 Ca 0.09 -0.01 -0.11 0.00 -1.82 0.00 0.00 55.36 53.51 1vbe s GLN 233 Cb -0.02 -0.31 0.07 0.00 -1.09 0.00 0.00 33.01 31.66 1vbe s GLN 233 CO -0.01 -0.03 1.09 -1.12 -1.32 0.00 0.00 175.29 173.89 1vbe s SER 234 N 0.44 4.35 0.00 12.60 0.01 -1.26 -5.36 113.70 124.48 1vbe s SER 234 Ca -0.04 1.49 0.00 0.00 1.31 0.00 0.00 55.95 58.71 1vbe s SER 234 Cb -0.07 -2.23 0.00 0.00 0.21 0.00 0.00 66.02 63.94 1vbe s SER 234 CO -0.01 -2.08 0.19 0.00 0.41 0.00 0.00 173.24 171.75