#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2baa h VAL 2 N 0.00 0.68 0.00 -3.33 3.04 -1.85 0.11 116.25 114.90 2baa h VAL 2 Ca 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 2baa h VAL 2 Cb 0.00 0.91 0.00 0.00 -2.01 0.00 0.00 31.29 30.19 2baa h VAL 2 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.57 175.02 2baa n SER 3 N -4.13 0.09 0.24 3.17 3.41 -1.26 -0.82 113.62 114.32 2baa n SER 3 Ca 0.00 0.52 0.15 0.00 -0.26 0.00 0.00 58.87 59.29 2baa n SER 3 Cb 0.24 -0.54 0.50 0.00 -0.26 0.00 0.00 64.21 64.16 2baa n SER 3 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2baa h SER 4 N 0.00 0.00 0.00 4.04 0.02 -1.20 -3.34 113.55 113.07 2baa h SER 4 Ca 0.00 0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 60.77 2baa h SER 4 Cb 0.28 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.78 2baa h SER 4 CO 0.00 0.00 -1.73 2.30 -1.14 0.00 0.00 176.83 176.26 2baa n ILE 5 N -2.95 0.68 -3.98 3.27 -5.35 -0.00 -4.96 119.36 106.07 2baa n ILE 5 Ca 0.02 -0.45 -0.23 0.00 -0.27 0.00 0.00 62.75 61.82 2baa n ILE 5 Cb 0.37 -0.63 -0.17 0.00 -1.74 0.00 0.00 39.64 37.47 2baa n ILE 5 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 2baa s VAL 6 N -2.31 0.65 0.64 7.28 0.11 -0.79 -5.01 120.40 120.97 2baa s VAL 6 Ca -0.05 -0.10 -0.10 0.00 -2.93 0.00 0.00 61.98 58.80 2baa s VAL 6 Cb 0.04 -0.71 -0.01 0.00 -1.53 0.00 0.00 36.38 34.17 2baa s VAL 6 CO 0.45 0.28 1.01 -0.94 -3.33 0.00 0.00 175.10 172.58 2baa s SER 7 N 1.49 5.79 0.22 3.54 1.04 -1.26 -4.37 113.70 120.16 2baa s SER 7 Ca -0.01 1.13 -0.08 0.00 0.48 0.00 0.00 55.95 57.47 2baa s SER 7 Cb -0.13 -2.09 0.29 0.00 0.10 0.00 0.00 66.02 64.19 2baa s SER 7 CO -0.04 -1.08 1.81 -0.09 0.98 0.00 0.00 173.24 174.83 2baa h ARG 8 N -0.39 0.70 -0.49 4.02 2.43 -1.99 -0.02 114.38 118.64 2baa h ARG 8 Ca -0.45 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 58.66 2baa h ARG 8 Cb 1.23 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 30.60 2baa h ARG 8 CO 0.63 0.46 0.22 0.00 -1.51 0.00 0.00 179.97 179.77 2baa h ALA 9 N 1.39 0.63 -0.74 2.80 0.00 -1.99 -0.63 119.26 120.71 2baa h ALA 9 Ca 0.33 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 55.06 2baa h ALA 9 Cb 0.25 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 2baa h ALA 9 CO -0.21 0.21 0.25 1.96 0.00 0.00 0.00 179.25 181.46 2baa h GLN 10 N 0.64 1.14 -0.43 0.00 4.20 -1.71 -1.76 115.11 117.19 2baa h GLN 10 Ca 0.17 -0.23 -0.07 0.00 0.06 0.00 0.00 58.65 58.58 2baa h GLN 10 Cb 0.14 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 27.74 2baa h GLN 10 CO -0.02 0.96 0.00 0.35 -0.67 0.00 0.00 178.83 179.45 2baa h PHE 11 N 1.10 0.82 -0.24 2.96 3.04 -0.53 -0.69 116.94 123.40 2baa h PHE 11 Ca 0.24 -0.14 -0.07 0.00 3.98 0.00 0.00 57.97 61.98 2baa h PHE 11 Cb 0.28 -0.22 -0.01 0.00 2.56 0.00 0.00 35.95 38.56 2baa h PHE 11 CO 0.02 0.81 -0.16 -0.44 -2.02 0.00 0.00 178.31 176.52 2baa h ASP 12 N 0.60 0.40 -0.33 0.41 3.32 -0.87 -1.24 116.42 118.71 2baa h ASP 12 Ca 0.12 -0.11 -0.08 0.00 0.02 0.00 0.00 57.03 56.98 2baa h ASP 12 Cb 0.48 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.91 2baa h ASP 12 CO 0.02 0.59 -0.11 -0.09 -1.72 0.00 0.00 179.24 177.93 2baa h ARG 13 N 0.38 0.67 0.37 3.56 2.43 -0.76 -2.59 114.38 118.44 2baa h ARG 13 Ca 0.07 -0.27 -0.01 0.00 -0.81 0.00 0.00 59.98 58.96 2baa h ARG 13 Cb 0.51 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.02 2baa h ARG 13 CO 0.03 0.85 -0.31 0.52 -1.51 0.00 0.00 179.97 179.56 2baa h MET 14 N 0.44 -0.66 -2.23 0.20 2.86 -1.04 -3.24 114.93 111.27 2baa h MET 14 Ca 0.08 0.05 -0.78 0.00 -2.06 0.00 0.00 59.70 56.99 2baa h MET 14 Cb 0.62 0.15 -0.25 0.00 0.06 0.00 0.00 31.60 32.18 2baa h MET 14 CO 0.04 -0.44 1.18 1.28 1.06 0.00 0.00 176.91 180.02 2baa n LEU 15 N -5.43 7.45 -0.26 1.22 4.32 -0.48 -4.75 117.00 119.08 2baa n LEU 15 Ca -0.10 -5.16 -0.03 0.00 -0.02 0.00 0.00 56.01 50.70 2baa n LEU 15 Cb 0.33 -1.17 0.08 0.00 -1.62 0.00 0.00 43.42 41.04 2baa n LEU 15 CO 0.30 1.97 1.15 0.25 -1.22 0.00 0.00 177.39 179.85 2baa h LEU 16 N 4.09 0.74 -2.94 2.23 6.46 -1.49 -3.13 115.31 121.26 2baa h LEU 16 Ca 0.56 -0.00 0.00 0.00 -0.12 0.00 0.00 57.88 58.32 2baa h LEU 16 Cb 0.27 -0.16 0.00 0.00 -0.73 0.00 0.00 40.66 40.04 2baa h LEU 16 CO 1.26 0.51 0.00 1.41 -0.62 0.00 0.00 178.44 181.00 2baa n HIS 17 N -4.66 0.55 0.08 1.25 8.25 -1.12 -4.61 115.22 114.97 2baa n HIS 17 Ca 0.08 -0.56 0.11 0.00 -0.26 0.00 0.00 57.72 57.09 2baa n HIS 17 Cb 0.09 -0.07 0.59 0.00 1.12 0.00 0.00 29.99 31.72 2baa n HIS 17 CO 0.00 0.00 0.00 0.07 0.64 0.00 0.00 176.34 177.05 2baa h ARG 18 N 2.03 0.17 -0.61 -0.41 0.11 -1.74 0.76 114.38 114.68 2baa h ARG 18 Ca 0.00 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 60.07 2baa h ARG 18 Cb 0.85 -0.04 0.00 0.00 1.11 0.00 0.00 29.97 31.89 2baa h ARG 18 CO 0.04 0.11 0.00 0.09 0.10 0.00 0.00 179.97 180.31 2baa n ASN 19 N -4.48 3.56 -4.76 0.08 3.02 -1.26 -3.95 115.26 107.49 2baa n ASN 19 Ca 0.04 -2.18 -0.33 0.00 -0.03 0.00 0.00 54.58 52.08 2baa n ASN 19 Cb 0.27 -0.46 0.06 0.00 -0.61 0.00 0.00 39.78 39.04 2baa n ASN 19 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 2baa s ASP 20 N -0.91 4.87 0.60 6.41 1.11 0.26 -4.77 116.67 124.25 2baa s ASP 20 Ca 0.41 2.11 0.35 0.00 0.18 0.00 0.00 52.55 55.59 2baa s ASP 20 Cb 0.24 -2.56 1.94 0.00 1.07 0.00 0.00 42.92 43.60 2baa s ASP 20 CO 0.24 -1.79 2.25 1.23 1.18 0.00 0.00 175.17 178.27 2baa h GLY 21 N -0.00 0.00 2.00 0.21 0.00 -1.92 -1.83 103.07 101.53 2baa h GLY 21 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.86 2baa h GLY 21 CO 0.53 0.00 0.00 0.00 0.00 0.00 0.00 176.54 177.07 2baa n ALA 22 N -2.22 1.91 -2.66 3.60 0.00 -1.26 -4.76 120.51 115.13 2baa n ALA 22 Ca -0.03 -0.01 -0.38 0.00 0.00 0.00 0.00 53.44 53.03 2baa n ALA 22 Cb 0.12 -1.38 -0.06 0.00 0.00 0.00 0.00 19.45 18.13 2baa n ALA 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2baa h GLN 24 N 6.27 0.58 -0.79 0.00 4.15 -1.59 -2.41 115.11 121.31 2baa h GLN 24 Ca -0.43 -0.04 -0.05 0.00 0.77 0.00 0.00 58.65 58.91 2baa h GLN 24 Cb 1.19 -0.13 -0.03 0.00 0.21 0.00 0.00 27.48 28.72 2baa h GLN 24 CO 0.73 0.39 0.06 0.00 -1.93 0.00 0.00 178.83 178.07 2baa n ALA 25 N -2.43 3.46 -1.70 3.38 0.00 -0.83 -4.90 120.51 117.49 2baa n ALA 25 Ca 0.19 -1.20 -0.61 0.00 0.00 0.00 0.00 53.44 51.82 2baa n ALA 25 Cb 0.49 -1.10 -0.08 0.00 0.00 0.00 0.00 19.45 18.75 2baa n ALA 25 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2baa n LYS 26 N 0.24 0.67 -0.95 0.00 4.81 -0.91 -0.43 118.16 121.59 2baa n LYS 26 Ca 0.19 0.25 0.00 0.00 -0.87 0.00 0.00 58.31 57.87 2baa n LYS 26 Cb 0.86 -1.85 0.00 0.00 0.02 0.00 0.00 35.03 34.06 2baa n LYS 26 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2baa n GLY 27 N 3.85 0.83 0.11 3.14 0.00 -1.26 -4.91 105.19 106.95 2baa n GLY 27 Ca 0.27 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.09 2baa n GLY 27 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2baa h PHE 28 N 0.00 0.47 -3.47 1.61 3.57 -1.12 -3.45 116.94 114.56 2baa h PHE 28 Ca 0.00 -0.34 -0.66 0.00 3.53 0.00 0.00 57.97 60.49 2baa h PHE 28 Cb 0.01 -0.02 -0.16 0.00 2.79 0.00 0.00 35.95 38.57 2baa h PHE 28 CO 0.01 1.36 0.11 0.71 -2.23 0.00 0.00 178.31 178.27 2baa s TYR 29 N -2.43 3.05 0.15 0.41 2.02 -1.26 -4.69 117.35 114.61 2baa s TYR 29 Ca -0.16 -0.21 0.08 0.00 -0.37 0.00 0.00 57.07 56.41 2baa s TYR 29 Cb 0.02 -3.42 -0.04 0.00 -0.40 0.00 0.00 41.96 38.12 2baa s TYR 29 CO 0.80 -0.94 -0.08 0.95 -1.57 0.00 0.00 175.55 174.71 2baa s THR 30 N 2.80 3.32 0.23 -0.71 -4.23 -1.26 -5.02 115.64 110.76 2baa s THR 30 Ca 0.20 -1.50 -0.06 0.00 -1.18 0.00 0.00 61.69 59.15 2baa s THR 30 Cb -0.16 -2.62 0.19 0.00 1.34 0.00 0.00 72.50 71.25 2baa s THR 30 CO 0.17 -0.04 1.80 0.22 -0.54 0.00 0.00 174.62 176.23 2baa h TYR 31 N 3.11 0.75 -0.63 3.99 3.20 -1.96 -1.37 116.97 124.05 2baa h TYR 31 Ca -0.48 0.03 0.04 0.00 3.14 0.00 0.00 58.73 61.47 2baa h TYR 31 Cb 1.19 -0.22 -0.05 0.00 1.54 0.00 0.00 36.73 39.19 2baa h TYR 31 CO 0.63 0.30 0.36 -0.44 -1.64 0.00 0.00 178.16 177.37 2baa h ASP 32 N 0.71 0.56 -0.17 -2.11 5.19 -1.99 -0.20 116.42 118.41 2baa h ASP 32 Ca 0.36 0.02 -0.10 0.00 -0.62 0.00 0.00 57.03 56.69 2baa h ASP 32 Cb 0.33 -0.10 -0.01 0.00 0.18 0.00 0.00 39.33 39.73 2baa h ASP 32 CO -0.24 0.38 -0.22 0.00 -3.12 0.00 0.00 179.24 176.03 2baa h ALA 33 N 1.31 1.02 0.04 3.45 0.00 -1.66 0.29 119.26 123.71 2baa h ALA 33 Ca 0.27 -0.35 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 2baa h ALA 33 Cb 0.11 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2baa h ALA 33 CO -0.15 0.59 -0.02 0.35 0.00 0.00 0.00 179.25 180.02 2baa h PHE 34 N 0.54 -0.05 -0.60 0.00 3.57 -0.40 -0.35 116.94 119.65 2baa h PHE 34 Ca 0.08 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.56 2baa h PHE 34 Cb 0.67 0.02 -0.03 0.00 2.79 0.00 0.00 35.95 39.40 2baa h PHE 34 CO 0.03 0.09 0.28 0.28 -2.23 0.00 0.00 178.31 176.76 2baa h VAL 35 N -0.18 1.21 -0.67 1.41 2.07 -0.66 -0.66 116.25 118.77 2baa h VAL 35 Ca -0.01 -0.62 -0.07 0.00 0.82 0.00 0.00 66.70 66.83 2baa h VAL 35 Cb 0.16 0.51 -0.03 0.00 -1.52 0.00 0.00 31.29 30.41 2baa h VAL 35 CO 0.01 0.25 0.14 0.00 0.02 0.00 0.00 177.57 177.99 2baa h ALA 36 N 1.12 0.99 -0.35 1.67 0.00 -0.86 -2.60 119.26 119.23 2baa h ALA 36 Ca 0.21 -0.25 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 2baa h ALA 36 Cb 0.13 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 2baa h ALA 36 CO -0.02 0.65 -0.05 0.00 0.00 0.00 0.00 179.25 179.82 2baa h ALA 37 N 1.13 0.48 -0.32 0.00 0.00 -0.74 -3.10 119.26 116.72 2baa h ALA 37 Ca 0.21 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 2baa h ALA 37 Cb 0.39 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 2baa h ALA 37 CO 0.01 0.30 0.11 0.00 0.00 0.00 0.00 179.25 179.66 2baa h ALA 38 N 0.83 1.59 0.00 0.00 0.00 -0.81 -2.33 119.26 118.55 2baa h ALA 38 Ca 0.09 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2baa h ALA 38 Cb 0.54 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2baa h ALA 38 CO 0.03 0.32 0.00 0.00 0.00 0.00 0.00 179.25 179.59 2baa n ALA 39 N -2.48 2.59 1.30 0.00 0.00 -1.01 -1.32 120.51 119.59 2baa n ALA 39 Ca 0.02 -0.17 0.14 0.00 0.00 0.00 0.00 53.44 53.42 2baa n ALA 39 Cb 0.15 -1.44 0.70 0.00 0.00 0.00 0.00 19.45 18.86 2baa n ALA 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2baa n ALA 40 N -0.96 2.39 -3.67 0.00 0.00 -0.88 -4.43 120.51 112.96 2baa n ALA 40 Ca 0.20 -0.13 -0.29 0.00 0.00 0.00 0.00 53.44 53.22 2baa n ALA 40 Cb 0.09 -1.46 -0.13 0.00 0.00 0.00 0.00 19.45 17.96 2baa n ALA 40 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2baa s PHE 41 N -2.61 1.83 0.36 0.00 0.40 -0.44 -5.08 117.98 112.45 2baa s PHE 41 Ca 0.26 -2.34 -0.28 0.00 -0.60 0.00 0.00 56.93 53.96 2baa s PHE 41 Cb 0.19 -1.75 -0.11 0.00 0.51 0.00 0.00 43.02 41.85 2baa s PHE 41 CO 0.44 -0.78 1.49 -0.35 0.70 0.00 0.00 175.22 176.72 2baa n PRO 42 N 3.54 2.65 0.00 0.24 -0.04 -1.26 -1.89 135.00 138.24 2baa n PRO 42 Ca 0.10 0.93 0.00 0.00 -0.04 0.00 0.00 63.50 64.49 2baa n PRO 42 Cb 0.35 -2.66 0.00 0.00 -0.04 0.00 0.00 33.50 31.15 2baa n PRO 42 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2baa n GLY 43 N 0.76 2.57 3.64 0.55 0.00 -1.26 -5.03 105.19 106.42 2baa n GLY 43 Ca 0.03 -0.51 -0.43 0.00 0.00 0.00 0.00 46.02 45.11 2baa n GLY 43 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2baa s PHE 44 N -1.40 2.23 -0.64 1.61 5.36 -0.79 -2.18 117.98 122.17 2baa s PHE 44 Ca 0.00 0.54 0.00 0.00 -0.96 0.00 0.00 56.93 56.51 2baa s PHE 44 Cb 0.00 -3.87 0.00 0.00 -0.34 0.00 0.00 43.02 38.81 2baa s PHE 44 CO 0.00 -2.92 0.00 0.41 -1.46 0.00 0.00 175.22 171.25 2baa n GLY 45 N 4.29 0.84 0.67 13.12 0.00 -1.26 -4.76 105.19 118.09 2baa n GLY 45 Ca 0.17 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.42 2baa n GLY 45 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2baa n THR 46 N -2.82 0.00 -4.93 2.61 5.66 -0.93 -4.75 114.28 109.12 2baa n THR 46 Ca -0.06 -0.14 -0.33 0.00 -3.05 0.00 0.00 64.05 60.47 2baa n THR 46 Cb 0.20 0.48 -0.13 0.00 -1.55 0.00 0.00 70.33 69.32 2baa n THR 46 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 2baa s THR 47 N 0.00 2.96 0.00 1.09 2.01 -1.22 -4.89 115.64 115.59 2baa s THR 47 Ca 0.05 -0.76 0.00 0.00 0.31 0.00 0.00 61.69 61.29 2baa s THR 47 Cb 0.06 -2.15 0.00 0.00 0.01 0.00 0.00 72.50 70.42 2baa s THR 47 CO -0.02 0.59 0.00 0.61 -0.69 0.00 0.00 174.62 175.11 2baa n GLY 48 N 2.34 -1.71 3.72 4.40 0.00 -1.26 -4.01 105.19 108.67 2baa n GLY 48 Ca -0.17 -1.41 -0.32 0.00 0.00 0.00 0.00 46.02 44.12 2baa n GLY 48 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2baa s SER 49 N -4.00 3.91 0.36 1.61 1.04 -1.26 -4.73 113.70 110.63 2baa s SER 49 Ca 0.00 2.08 0.05 0.00 0.48 0.00 0.00 55.95 58.55 2baa s SER 49 Cb 0.00 -2.55 0.70 0.00 0.10 0.00 0.00 66.02 64.27 2baa s SER 49 CO 0.00 -2.44 1.97 0.00 0.98 0.00 0.00 173.24 173.75 2baa h ALA 50 N -1.13 1.65 -0.72 5.32 0.00 -1.99 0.15 119.26 122.53 2baa h ALA 50 Ca -0.44 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.45 2baa h ALA 50 Cb 1.26 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.79 2baa h ALA 50 CO 0.48 0.26 0.47 -0.44 0.00 0.00 0.00 179.25 180.02 2baa h ASP 51 N 0.80 0.80 -0.16 0.00 5.19 -1.97 -0.74 116.42 120.34 2baa h ASP 51 Ca 0.29 -0.01 -0.14 0.00 -0.62 0.00 0.00 57.03 56.55 2baa h ASP 51 Cb 0.15 -0.19 -0.01 0.00 0.18 0.00 0.00 39.33 39.46 2baa h ASP 51 CO -0.09 0.57 -0.41 0.00 -3.12 0.00 0.00 179.24 176.19 2baa h ALA 52 N 1.28 0.75 -0.56 3.45 0.00 -1.40 0.11 119.26 122.88 2baa h ALA 52 Ca 0.28 -0.45 0.02 0.00 0.00 0.00 0.00 54.91 54.75 2baa h ALA 52 Cb -0.06 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 2baa h ALA 52 CO -0.08 0.66 0.36 1.96 0.00 0.00 0.00 179.25 182.15 2baa h GLN 53 N 0.57 0.69 -0.34 0.00 4.20 -0.50 0.11 115.11 119.84 2baa h GLN 53 Ca 0.05 -0.04 -0.14 0.00 0.06 0.00 0.00 58.65 58.58 2baa h GLN 53 Cb 0.94 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.56 2baa h GLN 53 CO 0.09 0.46 -0.33 0.87 -0.67 0.00 0.00 178.83 179.25 2baa h LYS 54 N 0.72 0.83 -0.09 1.46 1.57 -0.80 -2.77 116.57 117.48 2baa h LYS 54 Ca 0.22 -0.43 -0.03 0.00 -1.87 0.00 0.00 60.65 58.54 2baa h LYS 54 Cb -0.03 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 2baa h LYS 54 CO -0.07 1.07 -0.07 0.00 -0.57 0.00 0.00 179.45 179.81 2baa h ARG 55 N 0.61 0.13 0.07 3.15 3.08 -0.36 -2.12 114.38 118.94 2baa h ARG 55 Ca 0.06 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.08 2baa h ARG 55 Cb 0.91 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.94 2baa h ARG 55 CO 0.08 0.20 -0.03 1.49 -1.07 0.00 0.00 179.97 180.64 2baa h GLU 56 N 0.12 -0.09 -0.16 0.04 4.81 -0.51 0.17 114.58 118.96 2baa h GLU 56 Ca 0.03 0.01 -0.13 0.00 -0.13 0.00 0.00 59.36 59.13 2baa h GLU 56 Cb 0.20 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.59 2baa h GLU 56 CO 0.01 0.18 -0.47 -0.39 -0.73 0.00 0.00 179.01 177.62 2baa h VAL 57 N -0.37 1.32 -0.62 0.32 -1.51 -1.35 -0.32 116.25 113.73 2baa h VAL 57 Ca -0.01 -1.67 -0.00 0.00 -1.23 0.00 0.00 66.70 63.79 2baa h VAL 57 Cb 0.32 1.72 -0.03 0.00 -2.13 0.00 0.00 31.29 31.17 2baa h VAL 57 CO 0.02 0.51 0.38 0.00 -1.23 0.00 0.00 177.57 177.25 2baa h ALA 58 N 1.18 0.78 -0.28 5.19 0.00 -1.31 -0.21 119.26 124.62 2baa h ALA 58 Ca 0.02 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 2baa h ALA 58 Cb 0.95 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 2baa h ALA 58 CO 0.08 0.25 -0.15 0.00 0.00 0.00 0.00 179.25 179.43 2baa h ALA 59 N 1.20 0.40 -0.05 0.00 0.00 -0.31 0.11 119.26 120.61 2baa h ALA 59 Ca 0.22 -0.33 0.02 0.00 0.00 0.00 0.00 54.91 54.83 2baa h ALA 59 Cb -0.04 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 2baa h ALA 59 CO -0.04 0.29 -0.09 0.35 0.00 0.00 0.00 179.25 179.76 2baa h PHE 60 N 0.34 -0.23 -0.42 0.00 3.57 -0.96 -1.18 116.94 118.05 2baa h PHE 60 Ca 0.06 0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.49 2baa h PHE 60 Cb 0.67 0.11 -0.02 0.00 2.79 0.00 0.00 35.95 39.51 2baa h PHE 60 CO 0.06 -0.14 -0.07 -0.07 -2.23 0.00 0.00 178.31 175.86 2baa h LEU 61 N -0.13 0.70 -0.26 0.59 4.07 -0.93 -2.10 115.31 117.25 2baa h LEU 61 Ca 0.05 -0.19 -0.01 0.00 0.08 0.00 0.00 57.88 57.82 2baa h LEU 61 Cb 0.21 -0.19 -0.01 0.00 1.08 0.00 0.00 40.66 41.75 2baa h LEU 61 CO -0.13 0.81 0.14 0.00 -1.08 0.00 0.00 178.44 178.18 2baa h ALA 62 N 1.26 0.34 -0.27 1.53 0.00 -0.48 0.12 119.26 121.75 2baa h ALA 62 Ca 0.12 -0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.85 2baa h ALA 62 Cb 0.51 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 2baa h ALA 62 CO 0.03 -0.12 -0.25 1.96 0.00 0.00 0.00 179.25 180.87 2baa h GLN 63 N 0.30 0.65 0.00 0.00 1.08 -1.12 -1.00 115.11 115.03 2baa h GLN 63 Ca 0.09 -0.33 -0.14 0.00 -1.45 0.00 0.00 58.65 56.81 2baa h GLN 63 Cb 0.08 0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.50 2baa h GLN 63 CO -0.01 0.94 -0.69 1.79 -0.95 0.00 0.00 178.83 179.91 2baa h THR 64 N 0.38 1.46 -0.72 -0.54 1.35 -1.42 -2.47 112.91 110.97 2baa h THR 64 Ca 0.05 -2.38 -0.05 0.00 -0.55 0.00 0.00 66.41 63.48 2baa h THR 64 Cb 0.81 2.29 -0.03 0.00 -1.73 0.00 0.00 68.15 69.49 2baa h THR 64 CO 0.06 0.67 0.26 0.28 -0.25 0.00 0.00 175.52 176.55 2baa h SER 65 N 0.00 1.01 -0.53 5.36 0.02 -0.46 -2.18 113.55 116.77 2baa h SER 65 Ca -0.01 -0.19 -0.04 0.00 -0.84 0.00 0.00 61.79 60.71 2baa h SER 65 Cb 1.24 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 63.49 2baa h SER 65 CO 0.09 0.93 0.18 -0.74 -1.14 0.00 0.00 176.83 176.14 2baa h HIS 66 N 1.04 0.89 0.00 3.45 6.17 -0.82 -0.43 115.15 125.45 2baa h HIS 66 Ca 0.24 -0.07 0.00 0.00 0.71 0.00 0.00 60.37 61.24 2baa h HIS 66 Cb 0.25 -0.27 0.00 0.00 2.52 0.00 0.00 27.41 29.92 2baa h HIS 66 CO 0.02 0.72 0.00 0.93 0.71 0.00 0.00 177.93 180.31 2baa h GLU 67 N 0.85 0.00 0.00 5.26 4.39 -0.99 -3.11 114.58 120.98 2baa h GLU 67 Ca 0.19 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.89 2baa h GLU 67 Cb 0.25 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.90 2baa h GLU 67 CO -0.01 0.00 -0.15 0.25 -1.16 0.00 0.00 179.01 177.94 2baa n THR 68 N -2.47 1.25 -2.39 1.13 -2.24 -0.87 -4.86 114.28 103.83 2baa n THR 68 Ca 0.02 -1.50 -0.39 0.00 -2.27 0.00 0.00 64.05 59.91 2baa n THR 68 Cb 0.25 0.03 -0.03 0.00 -2.10 0.00 0.00 70.33 68.48 2baa n THR 68 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2baa s THR 69 N -1.89 3.34 -0.35 4.28 -1.32 -0.22 -1.24 115.64 118.24 2baa s THR 69 Ca 0.21 1.25 0.08 0.00 -1.21 0.00 0.00 61.69 62.02 2baa s THR 69 Cb 0.18 -3.76 0.21 0.00 -1.51 0.00 0.00 72.50 67.62 2baa s THR 69 CO 0.02 0.22 1.16 0.61 -2.21 0.00 0.00 174.62 174.42 2baa n GLY 70 N 0.89 3.32 3.78 6.08 0.00 -0.19 -4.88 105.19 114.19 2baa n GLY 70 Ca 0.01 -0.41 -0.30 0.00 0.00 0.00 0.00 46.02 45.32 2baa n GLY 70 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2baa s GLY 71 N -1.38 1.65 0.13 -0.02 0.00 -1.26 -5.01 107.32 101.43 2baa s GLY 71 Ca 0.17 -0.88 -0.11 0.00 0.00 0.00 0.00 44.72 43.91 2baa s GLY 71 CO 0.07 -0.16 0.28 0.66 0.00 0.00 0.00 173.10 173.94 2baa s TRP 72 N -3.41 0.15 0.29 1.90 -2.14 -1.26 -5.03 118.94 109.44 2baa s TRP 72 Ca 0.69 -0.54 0.03 0.00 2.66 0.00 0.00 56.10 58.95 2baa s TRP 72 Cb -0.09 0.02 0.72 0.00 -3.10 0.00 0.00 33.47 31.02 2baa s TRP 72 CO 0.54 -0.65 1.69 0.00 -2.66 0.00 0.00 176.95 175.87 2baa h ALA 73 N 2.59 1.41 -0.72 2.67 0.00 -1.98 -0.67 119.26 122.55 2baa h ALA 73 Ca -0.33 0.16 -0.22 0.00 0.00 0.00 0.00 54.91 54.52 2baa h ALA 73 Cb 1.22 0.16 -0.13 0.00 0.00 0.00 0.00 17.79 19.04 2baa h ALA 73 CO 0.51 -0.35 0.27 0.25 0.00 0.00 0.00 179.25 179.93 2baa n THR 74 N -5.06 2.92 -1.92 0.00 -2.24 -1.26 -4.55 114.28 102.17 2baa n THR 74 Ca 0.22 -1.72 -0.36 0.00 -2.27 0.00 0.00 64.05 59.92 2baa n THR 74 Cb 0.65 -0.36 0.04 0.00 -2.10 0.00 0.00 70.33 68.56 2baa n THR 74 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2baa s ALA 75 N -3.02 2.50 0.18 6.98 0.00 -0.26 -4.91 121.76 123.23 2baa s ALA 75 Ca 0.55 1.09 -0.32 0.00 0.00 0.00 0.00 51.96 53.28 2baa s ALA 75 Cb 0.44 -3.49 -0.11 0.00 0.00 0.00 0.00 23.12 19.96 2baa s ALA 75 CO 0.13 -1.31 1.63 -2.14 0.00 0.00 0.00 175.76 174.07 2baa s PRO 76 N -3.32 4.18 -0.10 0.00 0.02 -1.26 -1.06 135.00 133.45 2baa s PRO 76 Ca 0.79 2.45 0.00 0.00 0.02 0.00 0.00 61.00 64.26 2baa s PRO 76 Cb -0.33 -3.15 0.00 0.00 0.02 0.00 0.00 34.50 31.04 2baa s PRO 76 CO 0.36 -0.67 0.00 -0.25 -0.33 0.00 0.00 177.00 176.11 2baa n ASP 77 N 4.05 -3.66 0.00 2.53 8.00 -1.26 -4.86 116.55 121.35 2baa n ASP 77 Ca 0.15 0.02 0.00 0.00 0.71 0.00 0.00 54.79 55.67 2baa n ASP 77 Cb 0.37 -1.24 0.00 0.00 -0.02 0.00 0.00 41.12 40.23 2baa n ASP 77 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2baa n GLY 78 N -2.16 -1.14 0.15 0.44 0.00 -0.23 -4.25 105.19 98.00 2baa n GLY 78 Ca -0.01 -1.59 0.11 0.00 0.00 0.00 0.00 46.02 44.53 2baa n GLY 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2baa n ALA 79 N -0.80 1.21 -0.54 4.61 0.00 -1.26 -2.00 120.51 121.73 2baa n ALA 79 Ca 0.00 0.17 0.07 0.00 0.00 0.00 0.00 53.44 53.68 2baa n ALA 79 Cb 0.00 -1.33 0.34 0.00 0.00 0.00 0.00 19.45 18.46 2baa n ALA 79 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2baa n PHE 80 N -2.25 1.63 0.06 0.00 3.72 -1.26 -3.37 117.46 116.00 2baa n PHE 80 Ca -0.00 -0.59 0.04 0.00 -0.05 0.00 0.00 57.45 56.84 2baa n PHE 80 Cb 0.09 -0.37 0.08 0.00 -0.94 0.00 0.00 39.48 38.34 2baa n PHE 80 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2baa n ALA 81 N 0.72 2.27 -1.41 4.37 0.00 -0.85 -4.69 120.51 120.93 2baa n ALA 81 Ca 0.24 -0.89 -0.03 0.00 0.00 0.00 0.00 53.44 52.75 2baa n ALA 81 Cb 0.97 -0.31 0.20 0.00 0.00 0.00 0.00 19.45 20.32 2baa n ALA 81 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 2baa n TRP 82 N 0.35 1.09 -1.52 0.00 7.02 -1.22 -2.80 117.44 120.37 2baa n TRP 82 Ca 0.07 -1.54 -0.29 0.00 -1.02 0.00 0.00 57.50 54.71 2baa n TRP 82 Cb 0.31 -0.48 0.11 0.00 -2.42 0.00 0.00 31.31 28.84 2baa n TRP 82 CO 0.00 0.00 0.00 0.20 -2.02 0.00 0.00 177.69 175.87 2baa s GLY 83 N -2.48 1.60 -1.52 6.99 0.00 -1.26 -1.02 107.32 109.64 2baa s GLY 83 Ca 0.44 -0.34 -0.06 0.00 0.00 0.00 0.00 44.72 44.76 2baa s GLY 83 CO 0.01 0.15 0.67 -1.72 0.00 0.00 0.00 173.10 172.21 2baa n TYR 84 N -3.61 -2.07 0.73 1.90 4.02 -1.16 -4.38 117.16 112.58 2baa n TYR 84 Ca 0.07 0.58 0.12 0.00 -0.01 0.00 0.00 57.90 58.66 2baa n TYR 84 Cb 0.58 -4.42 0.23 0.00 -0.02 0.00 0.00 39.34 35.70 2baa n TYR 84 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2baa s PHE 86 N -3.11 1.07 0.00 0.00 0.08 -1.19 -1.59 117.98 113.23 2baa s PHE 86 Ca 0.08 -0.50 0.00 0.00 0.12 0.00 0.00 56.93 56.63 2baa s PHE 86 Cb 0.15 -0.60 0.00 0.00 -0.57 0.00 0.00 43.02 42.00 2baa s PHE 86 CO 0.70 0.02 0.08 0.36 -0.10 0.00 0.00 175.22 176.27 2baa n LYS 87 N 1.18 5.34 -3.63 0.44 2.85 -1.26 -4.82 118.16 118.25 2baa n LYS 87 Ca -0.21 -0.08 -0.15 0.00 -1.05 0.00 0.00 58.31 56.83 2baa n LYS 87 Cb 0.55 -0.55 -0.07 0.00 -0.65 0.00 0.00 35.03 34.31 2baa n LYS 87 CO 0.00 0.00 0.00 1.14 -0.05 0.00 0.00 177.40 178.49 2baa s GLN 88 N -0.78 0.89 0.30 -1.58 -2.07 -1.26 -0.49 119.66 114.66 2baa s GLN 88 Ca 0.00 -0.04 0.03 0.00 -1.82 0.00 0.00 55.36 53.53 2baa s GLN 88 Cb 0.00 0.41 0.76 0.00 -1.09 0.00 0.00 33.01 33.08 2baa s GLN 88 CO 0.00 -0.28 1.64 1.49 -1.32 0.00 0.00 175.29 176.82 2baa h GLU 89 N 3.31 0.18 0.00 9.60 4.81 -1.13 -3.46 114.58 127.89 2baa h GLU 89 Ca -0.29 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.93 2baa h GLU 89 Cb 1.17 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.51 2baa h GLU 89 CO 0.40 0.12 0.00 -2.13 -0.73 0.00 0.00 179.01 176.67 2baa n ARG 90 N -5.24 0.00 0.00 1.92 0.63 -1.26 -4.40 116.66 108.30 2baa n ARG 90 Ca 0.23 0.00 0.01 0.00 -0.92 0.00 0.00 57.85 57.17 2baa n ARG 90 Cb 0.73 0.00 0.07 0.00 0.45 0.00 0.00 32.46 33.71 2baa n ARG 90 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2baa n GLY 91 N 0.00 -0.09 3.75 5.14 0.00 -1.26 -4.85 105.19 107.87 2baa n GLY 91 Ca 0.00 -0.02 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 2baa n GLY 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2baa s ALA 92 N -2.00 3.45 -0.23 4.61 0.00 -1.26 -4.96 121.76 121.38 2baa s ALA 92 Ca 0.04 1.02 -0.17 0.00 0.00 0.00 0.00 51.96 52.84 2baa s ALA 92 Cb 0.02 -3.41 -0.13 0.00 0.00 0.00 0.00 23.12 19.59 2baa s ALA 92 CO 0.03 -0.39 -0.11 -1.13 0.00 0.00 0.00 175.76 174.16 2baa n SER 93 N 1.90 1.90 -4.31 0.00 3.41 -1.26 -4.99 113.62 110.27 2baa n SER 93 Ca 0.02 0.40 -0.35 0.00 -0.26 0.00 0.00 58.87 58.68 2baa n SER 93 Cb 0.44 -0.88 0.07 0.00 -0.26 0.00 0.00 64.21 63.59 2baa n SER 93 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2baa n SER 94 N -4.38 -2.94 -0.55 4.04 2.88 -1.26 -4.95 113.62 106.46 2baa n SER 94 Ca -0.37 0.41 0.12 0.00 -1.33 0.00 0.00 58.87 57.70 2baa n SER 94 Cb 0.70 -1.06 0.17 0.00 -0.75 0.00 0.00 64.21 63.27 2baa n SER 94 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 2baa n ASP 95 N 0.58 1.97 -3.46 -3.46 5.75 -1.26 -4.74 116.55 111.93 2baa n ASP 95 Ca 0.06 -1.49 -0.25 0.00 -0.01 0.00 0.00 54.79 53.10 2baa n ASP 95 Cb 0.52 0.24 0.01 0.00 -1.03 0.00 0.00 41.12 40.86 2baa n ASP 95 CO 0.00 0.00 0.00 -1.22 -0.11 0.00 0.00 177.20 175.87 2baa n TYR 96 N 0.18 -1.95 -3.81 2.11 4.02 -1.26 -0.03 117.16 116.41 2baa n TYR 96 Ca 0.12 0.60 -0.35 0.00 -0.01 0.00 0.00 57.90 58.26 2baa n TYR 96 Cb 0.46 -3.50 -0.09 0.00 -0.02 0.00 0.00 39.34 36.19 2baa n TYR 96 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2baa s THR 98 N 0.57 2.02 0.14 0.00 2.01 -1.26 -5.03 115.64 114.08 2baa s THR 98 Ca 0.06 -1.61 -0.34 0.00 0.31 0.00 0.00 61.69 60.11 2baa s THR 98 Cb -0.12 -2.20 -0.17 0.00 0.01 0.00 0.00 72.50 70.02 2baa s THR 98 CO 0.00 -0.11 1.08 -2.65 -0.69 0.00 0.00 174.62 172.26 2baa n PRO 99 N 4.47 0.81 -3.71 4.92 -0.02 -1.26 -4.77 135.00 135.44 2baa n PRO 99 Ca -0.12 0.29 -0.13 0.00 -2.02 0.00 0.00 63.50 61.53 2baa n PRO 99 Cb 0.42 -1.74 -0.10 0.00 -0.02 0.00 0.00 33.50 32.07 2baa n PRO 99 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2baa s SER 100 N -0.09 -0.49 0.33 2.55 0.15 -1.26 -5.00 113.70 109.89 2baa s SER 100 Ca 0.76 0.93 0.19 0.00 0.70 0.00 0.00 55.95 58.53 2baa s SER 100 Cb -0.94 0.92 0.16 0.00 -1.71 0.00 0.00 66.02 64.45 2baa s SER 100 CO 0.53 -0.16 1.45 0.00 1.20 0.00 0.00 173.24 176.25 2baa h ALA 101 N 5.69 0.80 0.16 5.45 0.00 -1.99 -3.12 119.26 126.24 2baa h ALA 101 Ca -0.29 -0.26 -0.35 0.00 0.00 0.00 0.00 54.91 54.01 2baa h ALA 101 Cb 1.18 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 2baa h ALA 101 CO 0.23 0.34 -1.83 1.96 0.00 0.00 0.00 179.25 179.95 2baa h GLN 102 N 0.00 0.33 -2.04 0.00 7.50 -1.99 -3.42 115.11 115.49 2baa h GLN 102 Ca -0.01 -0.56 -0.56 0.00 0.50 0.00 0.00 58.65 58.02 2baa h GLN 102 Cb 1.21 0.21 -0.40 0.00 0.05 0.00 0.00 27.48 28.55 2baa h GLN 102 CO 0.03 1.25 -1.02 0.91 -1.50 0.00 0.00 178.83 178.50 2baa n TRP 103 N -3.53 0.44 -2.03 2.96 7.02 -1.26 -5.07 117.44 115.98 2baa n TRP 103 Ca -0.27 -3.69 -0.41 0.00 -1.02 0.00 0.00 57.50 52.11 2baa n TRP 103 Cb 1.06 -0.39 -0.02 0.00 -2.42 0.00 0.00 31.31 29.54 2baa n TRP 103 CO 0.00 0.00 0.00 -2.14 -2.02 0.00 0.00 177.69 173.53 2baa s PRO 104 N -1.56 4.28 0.31 -0.99 0.02 -1.18 -4.55 135.00 131.34 2baa s PRO 104 Ca 0.37 2.29 -0.29 0.00 0.02 0.00 0.00 61.00 63.38 2baa s PRO 104 Cb 0.19 -3.10 -0.11 0.00 0.02 0.00 0.00 34.50 31.50 2baa s PRO 104 CO -0.09 -0.39 1.47 0.00 -0.33 0.00 0.00 177.00 177.66 2baa s ALA 106 N -0.53 3.46 0.19 0.00 0.00 -1.26 -4.99 121.76 118.63 2baa s ALA 106 Ca 0.57 0.19 -0.32 0.00 0.00 0.00 0.00 51.96 52.39 2baa s ALA 106 Cb -0.44 -2.85 -0.12 0.00 0.00 0.00 0.00 23.12 19.70 2baa s ALA 106 CO 0.52 0.21 1.71 -2.30 0.00 0.00 0.00 175.76 175.90 2baa n PRO 107 N 2.30 2.66 -0.53 0.00 -0.02 -1.26 -1.52 135.00 136.63 2baa n PRO 107 Ca -0.06 0.96 0.00 0.00 -2.02 0.00 0.00 63.50 62.38 2baa n PRO 107 Cb 0.50 -2.80 0.00 0.00 -0.02 0.00 0.00 33.50 31.18 2baa n PRO 107 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2baa n GLY 108 N 3.90 1.73 3.87 -1.23 0.00 -1.26 -5.01 105.19 107.20 2baa n GLY 108 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 2baa n GLY 108 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2baa s LYS 109 N -0.07 3.84 -0.03 1.61 -0.14 -0.57 -5.08 119.74 119.30 2baa s LYS 109 Ca 0.00 0.52 0.08 0.00 -1.36 0.00 0.00 55.97 55.20 2baa s LYS 109 Cb 0.00 -2.41 -0.02 0.00 -1.68 0.00 0.00 37.83 33.72 2baa s LYS 109 CO 0.00 0.04 -0.25 1.03 -0.76 0.00 0.00 175.35 175.40 2baa s ARG 110 N -3.55 2.19 -0.57 1.68 0.52 -1.26 -4.86 118.95 113.10 2baa s ARG 110 Ca 0.52 -0.92 0.03 0.00 -0.52 0.00 0.00 55.73 54.84 2baa s ARG 110 Cb -0.10 -2.07 0.40 0.00 0.52 0.00 0.00 34.95 33.69 2baa s ARG 110 CO 0.27 0.54 1.42 0.66 0.02 0.00 0.00 175.30 178.20 2baa n TYR 111 N 2.51 3.25 -1.81 -0.53 4.01 0.96 -4.83 117.16 120.72 2baa n TYR 111 Ca -0.16 -2.83 -0.30 0.00 -0.16 0.00 0.00 57.90 54.45 2baa n TYR 111 Cb 0.51 -0.46 0.16 0.00 -0.31 0.00 0.00 39.34 39.24 2baa n TYR 111 CO 0.00 0.00 0.00 1.52 -0.46 0.00 0.00 176.86 177.92 2baa s TYR 112 N -3.72 1.92 0.09 -0.72 -0.85 -1.26 -1.08 117.35 111.74 2baa s TYR 112 Ca 0.50 0.49 -0.32 0.00 -0.52 0.00 0.00 57.07 57.22 2baa s TYR 112 Cb 0.42 -3.84 -0.12 0.00 0.38 0.00 0.00 41.96 38.80 2baa s TYR 112 CO -0.25 -2.52 1.79 0.41 -1.52 0.00 0.00 175.55 173.47 2baa n GLY 113 N -3.26 1.51 2.96 5.49 0.00 -1.22 -4.52 105.19 106.16 2baa n GLY 113 Ca 0.12 0.73 -0.10 0.00 0.00 0.00 0.00 46.02 46.78 2baa n GLY 113 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2baa s ARG 114 N 2.56 0.25 0.95 1.61 0.52 -0.97 -0.48 118.95 123.39 2baa s ARG 114 Ca 0.83 -0.47 0.00 0.00 -0.52 0.00 0.00 55.73 55.57 2baa s ARG 114 Cb -0.56 0.08 0.00 0.00 0.52 0.00 0.00 34.95 34.98 2baa s ARG 114 CO 0.40 -0.04 0.00 0.41 0.02 0.00 0.00 175.30 176.09 2baa n GLY 115 N 1.93 -1.90 0.31 -3.53 0.00 0.35 -1.41 105.19 100.94 2baa n GLY 115 Ca -0.21 -1.35 0.05 0.00 0.00 0.00 0.00 46.02 44.50 2baa n GLY 115 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2baa h PRO 116 N 0.00 0.53 -0.37 1.61 0.11 -1.89 -0.38 132.00 131.61 2baa h PRO 116 Ca 0.00 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.08 2baa h PRO 116 Cb 0.09 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.08 2baa h PRO 116 CO 0.00 0.35 0.00 1.51 -0.21 0.00 0.00 178.00 179.65 2baa n ILE 117 N -4.48 0.55 -3.80 4.15 0.13 -1.26 -4.56 119.36 110.09 2baa n ILE 117 Ca 0.04 -0.77 -0.27 0.00 -1.10 0.00 0.00 62.75 60.64 2baa n ILE 117 Cb 0.09 0.92 0.01 0.00 -0.84 0.00 0.00 39.64 39.82 2baa n ILE 117 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 2baa n GLN 118 N 1.30 -2.82 -1.63 9.51 1.13 -0.15 -4.86 117.38 119.85 2baa n GLN 118 Ca 0.17 0.46 -0.49 0.00 -1.94 0.00 0.00 57.00 55.21 2baa n GLN 118 Cb 0.55 -4.50 -0.05 0.00 0.11 0.00 0.00 30.24 26.36 2baa n GLN 118 CO 0.00 0.00 0.00 -0.11 -1.44 0.00 0.00 177.06 175.51 2baa n LEU 119 N -4.30 2.42 -4.03 1.08 7.94 -0.50 -4.29 117.00 115.32 2baa n LEU 119 Ca -0.23 1.10 -0.08 0.00 -1.11 0.00 0.00 56.01 55.70 2baa n LEU 119 Cb 0.65 -1.32 -0.10 0.00 0.53 0.00 0.00 43.42 43.18 2baa n LEU 119 CO 0.71 -0.66 -0.36 -0.44 -1.11 0.00 0.00 177.39 175.53 2baa s SER 120 N 0.65 0.36 0.14 1.96 0.01 -1.26 -2.29 113.70 113.26 2baa s SER 120 Ca 0.80 -0.75 0.00 0.00 1.31 0.00 0.00 55.95 57.31 2baa s SER 120 Cb -0.80 0.15 0.00 0.00 0.21 0.00 0.00 66.02 65.59 2baa s SER 120 CO 0.43 -0.46 0.00 1.41 0.41 0.00 0.00 173.24 175.03 2baa n HIS 121 N 0.82 -1.16 -0.29 2.43 8.25 -0.25 -4.21 115.22 120.82 2baa n HIS 121 Ca -0.19 0.62 0.15 0.00 -0.26 0.00 0.00 57.72 58.04 2baa n HIS 121 Cb 0.58 -1.66 0.41 0.00 1.12 0.00 0.00 29.99 30.44 2baa n HIS 121 CO 0.00 0.00 0.00 -2.95 0.64 0.00 0.00 176.34 174.03 2baa h ASN 122 N 0.42 0.61 0.50 0.41 7.08 -1.73 0.01 115.58 122.88 2baa h ASN 122 Ca 0.00 0.06 0.00 0.00 -3.08 0.00 0.00 56.30 53.28 2baa h ASN 122 Cb 0.01 -0.06 0.00 0.00 -2.08 0.00 0.00 38.32 36.19 2baa h ASN 122 CO 0.00 0.25 0.00 0.00 -2.08 0.00 0.00 177.43 175.60 2baa n TYR 123 N -4.60 0.00 -0.11 4.14 0.18 -1.26 -1.02 117.16 114.49 2baa n TYR 123 Ca 0.20 0.00 -0.15 0.00 1.88 0.00 0.00 57.90 59.83 2baa n TYR 123 Cb 0.59 -0.39 -0.11 0.00 -0.38 0.00 0.00 39.34 39.04 2baa n TYR 123 CO 0.00 0.00 0.00 0.09 -2.08 0.00 0.00 176.86 174.87 2baa n ASN 124 N -1.39 1.94 -0.20 9.48 5.03 -0.51 -4.44 115.26 125.16 2baa n ASN 124 Ca 0.07 -0.11 -0.02 0.00 0.87 0.00 0.00 54.58 55.39 2baa n ASN 124 Cb 0.19 -0.17 0.18 0.00 -1.02 0.00 0.00 39.78 38.95 2baa n ASN 124 CO 0.00 0.00 0.00 1.88 -1.83 0.00 0.00 177.26 177.31 2baa h TYR 125 N 0.00 0.98 0.04 3.10 -1.99 -0.81 -2.81 116.97 115.47 2baa h TYR 125 Ca -0.52 -0.04 -0.00 0.00 2.00 0.00 0.00 58.73 60.17 2baa h TYR 125 Cb 1.86 -0.31 -0.00 0.00 2.00 0.00 0.00 36.73 40.28 2baa h TYR 125 CO 0.02 0.72 -0.04 0.78 -0.00 0.00 0.00 178.16 179.64 2baa h GLY 126 N 1.04 -0.71 0.69 3.88 0.00 -1.32 -1.09 103.07 105.56 2baa h GLY 126 Ca 0.24 0.31 0.08 0.00 0.00 0.00 0.00 47.33 47.96 2baa h GLY 126 CO -0.03 -0.27 0.63 -0.56 0.00 0.00 0.00 176.54 176.31 2baa h PRO 127 N -0.07 1.05 -0.55 4.80 0.13 -1.78 -0.94 132.00 134.64 2baa h PRO 127 Ca -0.00 -0.06 0.05 0.00 -0.87 0.00 0.00 66.00 65.12 2baa h PRO 127 Cb 0.06 -0.24 -0.05 0.00 0.13 0.00 0.00 31.00 30.91 2baa h PRO 127 CO -0.00 0.70 0.28 0.00 -0.23 0.00 0.00 178.00 178.74 2baa h ALA 128 N 1.49 0.71 -0.55 -0.56 0.00 -1.40 0.15 119.26 119.11 2baa h ALA 128 Ca 0.44 0.03 -0.07 0.00 0.00 0.00 0.00 54.91 55.31 2baa h ALA 128 Cb 0.28 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 2baa h ALA 128 CO -0.19 -0.07 0.08 0.78 0.00 0.00 0.00 179.25 179.85 2baa h GLY 129 N 0.53 0.98 0.90 0.00 0.00 -0.42 -1.13 103.07 103.93 2baa h GLY 129 Ca 0.25 -0.66 0.02 0.00 0.00 0.00 0.00 47.33 46.95 2baa h GLY 129 CO -0.18 0.61 0.46 -0.09 0.00 0.00 0.00 176.54 177.34 2baa h ARG 130 N 0.80 0.88 -0.42 4.80 1.12 -0.66 0.33 114.38 121.22 2baa h ARG 130 Ca 0.17 -0.05 -0.14 0.00 -1.11 0.00 0.00 59.98 58.84 2baa h ARG 130 Cb 0.42 -0.20 -0.01 0.00 -0.01 0.00 0.00 29.97 30.17 2baa h ARG 130 CO 0.01 0.58 -0.28 0.00 -3.11 0.00 0.00 179.97 177.17 2baa h ALA 131 N 1.30 0.60 -0.07 2.80 0.00 -0.64 -3.26 119.26 119.99 2baa h ALA 131 Ca 0.28 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2baa h ALA 131 Cb -0.01 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.64 2baa h ALA 131 CO -0.10 0.63 0.00 0.44 0.00 0.00 0.00 179.25 180.23 2baa n ILE 132 N -4.12 0.06 -2.04 0.00 -5.35 -0.46 -4.96 119.36 102.49 2baa n ILE 132 Ca -0.01 -0.43 0.00 0.00 -0.27 0.00 0.00 62.75 62.04 2baa n ILE 132 Cb 0.49 1.05 0.00 0.00 -1.74 0.00 0.00 39.64 39.43 2baa n ILE 132 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2baa n GLY 133 N 1.29 0.68 2.93 3.28 0.00 0.11 -5.05 105.19 108.43 2baa n GLY 133 Ca 0.16 -0.75 -0.11 0.00 0.00 0.00 0.00 46.02 45.33 2baa n GLY 133 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2baa s VAL 134 N -2.37 0.05 -1.05 1.61 -7.23 -0.63 -5.04 120.40 105.76 2baa s VAL 134 Ca 0.00 -0.45 -0.21 0.00 -1.81 0.00 0.00 61.98 59.50 2baa s VAL 134 Cb 0.00 -0.14 0.07 0.00 0.56 0.00 0.00 36.38 36.87 2baa s VAL 134 CO 0.00 -0.25 1.44 -0.62 -0.31 0.00 0.00 175.10 175.36 2baa s ASP 135 N -0.73 6.58 0.51 4.85 -1.08 -1.26 -4.10 116.67 121.45 2baa s ASP 135 Ca -0.08 -1.71 0.30 0.00 -0.52 0.00 0.00 52.55 50.54 2baa s ASP 135 Cb -0.05 -2.54 1.12 0.00 -1.46 0.00 0.00 42.92 39.99 2baa s ASP 135 CO -0.00 -1.38 1.90 -0.07 0.52 0.00 0.00 175.17 176.13 2baa h LEU 136 N 12.35 0.00 -0.47 -1.34 4.07 -1.84 -1.80 115.31 126.28 2baa h LEU 136 Ca 0.23 0.00 -0.12 0.00 0.08 0.00 0.00 57.88 58.07 2baa h LEU 136 Cb 0.99 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.72 2baa h LEU 136 CO 1.38 0.04 -0.19 -0.07 -1.08 0.00 0.00 178.44 178.52 2baa h LEU 137 N 0.00 0.98 -0.15 1.67 4.07 -1.86 -1.19 115.31 118.83 2baa h LEU 137 Ca -0.00 -0.39 -0.21 0.00 0.08 0.00 0.00 57.88 57.36 2baa h LEU 137 Cb 0.63 -0.27 -0.01 0.00 1.08 0.00 0.00 40.66 42.09 2baa h LEU 137 CO 0.01 1.15 -0.97 0.00 -1.08 0.00 0.00 178.44 177.55 2baa h ALA 138 N 0.86 0.42 -2.15 1.53 0.00 -1.86 -3.36 119.26 114.69 2baa h ALA 138 Ca 0.11 -0.80 -0.57 0.00 0.00 0.00 0.00 54.91 53.65 2baa h ALA 138 Cb 0.76 -0.08 -0.39 0.00 0.00 0.00 0.00 17.79 18.08 2baa h ALA 138 CO 0.06 1.01 -1.02 -1.71 0.00 0.00 0.00 179.25 177.59 2baa n ASN 139 N -3.56 0.28 0.14 0.00 5.15 -0.70 -4.93 115.26 111.64 2baa n ASN 139 Ca -0.03 -2.66 0.16 0.00 -0.60 0.00 0.00 54.58 51.45 2baa n ASN 139 Cb 0.87 -0.62 0.71 0.00 -0.53 0.00 0.00 39.78 40.22 2baa n ASN 139 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 2baa h PRO 140 N 4.55 0.00 0.00 1.20 0.13 -1.42 -1.91 132.00 134.55 2baa h PRO 140 Ca 0.14 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.27 2baa h PRO 140 Cb 0.87 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.00 2baa h PRO 140 CO 0.46 0.00 -0.02 -0.44 -0.23 0.00 0.00 178.00 177.78 2baa h ASP 141 N 0.00 0.00 -0.28 1.44 3.32 -1.88 -0.78 116.42 118.24 2baa h ASP 141 Ca 0.13 0.00 0.08 0.00 0.02 0.00 0.00 57.03 57.26 2baa h ASP 141 Cb 0.55 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.09 2baa h ASP 141 CO -0.00 0.02 0.25 0.25 -1.72 0.00 0.00 179.24 178.04 2baa h LEU 142 N 0.00 0.00 -1.10 1.55 5.85 -1.73 0.12 115.31 120.00 2baa h LEU 142 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2baa h LEU 142 Cb 0.21 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.24 2baa h LEU 142 CO 0.00 0.00 0.00 0.58 -0.34 0.00 0.00 178.44 178.68 2baa h VAL 143 N 0.00 0.00 -0.09 1.05 2.07 -1.36 -0.40 116.25 117.51 2baa h VAL 143 Ca 0.13 -0.44 0.00 0.00 0.82 0.00 0.00 66.70 67.21 2baa h VAL 143 Cb 0.63 1.36 0.00 0.00 -1.52 0.00 0.00 31.29 31.76 2baa h VAL 143 CO -0.00 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.59 2baa n ALA 144 N -1.98 2.32 0.00 1.67 0.00 0.37 -4.08 120.51 118.81 2baa n ALA 144 Ca 0.01 -0.79 0.00 0.00 0.00 0.00 0.00 53.44 52.67 2baa n ALA 144 Cb 0.30 -0.23 0.00 0.00 0.00 0.00 0.00 19.45 19.52 2baa n ALA 144 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2baa n THR 145 N 0.24 0.00 -3.96 0.00 -2.24 -0.88 -4.93 114.28 102.50 2baa n THR 145 Ca 0.05 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.49 2baa n THR 145 Cb 0.25 0.42 -0.14 0.00 -2.10 0.00 0.00 70.33 68.75 2baa n THR 145 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2baa s ASP 146 N -2.01 4.57 0.39 3.42 -1.08 -0.19 -5.01 116.67 116.77 2baa s ASP 146 Ca 0.00 -1.15 0.11 0.00 -0.52 0.00 0.00 52.55 50.99 2baa s ASP 146 Cb 0.00 -1.66 0.80 0.00 -1.46 0.00 0.00 42.92 40.60 2baa s ASP 146 CO 0.00 -0.20 1.91 0.00 0.52 0.00 0.00 175.17 177.40 2baa h ALA 147 N 7.96 1.51 0.03 3.66 0.00 -1.85 -1.10 119.26 129.47 2baa h ALA 147 Ca -0.25 -0.23 -0.22 0.00 0.00 0.00 0.00 54.91 54.21 2baa h ALA 147 Cb 1.07 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 2baa h ALA 147 CO 0.54 0.35 -1.03 1.79 0.00 0.00 0.00 179.25 180.90 2baa h THR 148 N 0.14 1.62 0.00 0.00 1.35 -1.93 -0.82 112.91 113.27 2baa h THR 148 Ca 0.03 -3.18 -0.11 0.00 -0.55 0.00 0.00 66.41 62.60 2baa h THR 148 Cb 0.43 2.80 -0.02 0.00 -1.73 0.00 0.00 68.15 69.63 2baa h THR 148 CO 0.03 0.91 -0.54 -0.37 -0.25 0.00 0.00 175.52 175.30 2baa h VAL 149 N 0.03 1.39 -0.08 6.82 -1.51 -1.77 0.14 116.25 121.27 2baa h VAL 149 Ca -0.05 -1.86 0.04 0.00 -1.23 0.00 0.00 66.70 63.60 2baa h VAL 149 Cb 1.76 2.01 -0.04 0.00 -2.13 0.00 0.00 31.29 32.88 2baa h VAL 149 CO 0.15 0.53 -0.17 1.23 -1.23 0.00 0.00 177.57 178.08 2baa h GLY 150 N 1.63 -0.16 1.32 5.19 0.00 -0.97 0.46 103.07 110.54 2baa h GLY 150 Ca -0.01 0.21 -0.09 0.00 0.00 0.00 0.00 47.33 47.44 2baa h GLY 150 CO 0.07 -0.16 -0.07 0.74 0.00 0.00 0.00 176.54 177.12 2baa h PHE 151 N -0.24 0.89 -0.66 5.60 0.04 -0.71 -2.67 116.94 119.18 2baa h PHE 151 Ca 0.08 -0.15 -0.02 0.00 2.80 0.00 0.00 57.97 60.68 2baa h PHE 151 Cb 0.35 -0.23 -0.03 0.00 2.20 0.00 0.00 35.95 38.24 2baa h PHE 151 CO -0.26 0.85 0.34 0.87 -0.60 0.00 0.00 178.31 179.51 2baa h LYS 152 N 0.75 0.92 -0.58 1.51 1.57 -0.17 -0.23 116.57 120.34 2baa h LYS 152 Ca 0.13 -0.11 -0.07 0.00 -1.87 0.00 0.00 60.65 58.73 2baa h LYS 152 Cb 0.55 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.65 2baa h LYS 152 CO 0.03 0.70 0.07 1.79 -0.57 0.00 0.00 179.45 181.47 2baa h THR 153 N 0.93 1.25 -0.42 -0.16 1.35 -0.59 0.11 112.91 115.38 2baa h THR 153 Ca 0.23 -0.99 -0.05 0.00 -0.55 0.00 0.00 66.41 65.05 2baa h THR 153 Cb 0.06 0.72 -0.02 0.00 -1.73 0.00 0.00 68.15 67.18 2baa h THR 153 CO -0.03 0.36 0.06 0.00 -0.25 0.00 0.00 175.52 175.66 2baa h ALA 154 N 1.18 0.55 -0.17 6.62 0.00 -1.24 -0.97 119.26 125.23 2baa h ALA 154 Ca 0.18 -0.22 -0.14 0.00 0.00 0.00 0.00 54.91 54.73 2baa h ALA 154 Cb 0.42 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2baa h ALA 154 CO 0.01 0.27 -0.47 0.82 0.00 0.00 0.00 179.25 179.88 2baa h ILE 155 N 0.54 1.32 -0.20 0.00 2.04 -0.77 -1.10 117.51 119.35 2baa h ILE 155 Ca 0.13 -1.68 0.02 0.00 1.00 0.00 0.00 64.86 64.32 2baa h ILE 155 Cb 0.38 1.71 -0.02 0.00 -0.74 0.00 0.00 36.82 38.15 2baa h ILE 155 CO 0.01 0.52 0.07 -0.25 0.00 0.00 0.00 178.15 178.49 2baa h TRP 156 N 0.35 0.12 -0.57 1.37 7.01 -0.64 0.78 115.95 124.38 2baa h TRP 156 Ca 0.02 0.01 0.07 0.00 2.11 0.00 0.00 58.89 61.10 2baa h TRP 156 Cb 0.97 -0.02 -0.06 0.00 -2.10 0.00 0.00 29.16 27.94 2baa h TRP 156 CO 0.03 0.06 0.25 0.35 -2.79 0.00 0.00 178.44 176.34 2baa h PHE 157 N 0.16 0.45 -0.65 2.65 3.57 -0.39 -1.99 116.94 120.74 2baa h PHE 157 Ca 0.08 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.61 2baa h PHE 157 Cb 0.05 -0.12 -0.03 0.00 2.79 0.00 0.00 35.95 38.64 2baa h PHE 157 CO -0.12 0.18 0.41 2.35 -2.23 0.00 0.00 178.31 178.90 2baa h TRP 158 N 0.47 0.84 0.00 0.41 2.91 -0.28 -2.88 115.95 117.43 2baa h TRP 158 Ca 0.27 0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.30 2baa h TRP 158 Cb 0.25 -0.28 0.00 0.00 -0.51 0.00 0.00 29.16 28.62 2baa h TRP 158 CO -0.13 0.56 -0.07 -1.33 -1.03 0.00 0.00 178.44 176.43 2baa n MET 159 N -4.60 0.04 -4.36 2.65 2.81 0.18 -1.66 117.12 112.19 2baa n MET 159 Ca 0.05 0.03 -0.34 0.00 -1.81 0.00 0.00 57.70 55.64 2baa n MET 159 Cb 0.04 -1.55 -0.12 0.00 -0.71 0.00 0.00 33.22 30.89 2baa n MET 159 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 2baa s THR 160 N -3.02 4.00 0.09 2.03 2.01 -0.80 -4.83 115.64 115.12 2baa s THR 160 Ca 0.13 -0.32 -0.20 0.00 0.31 0.00 0.00 61.69 61.60 2baa s THR 160 Cb 0.18 -2.76 -0.10 0.00 0.01 0.00 0.00 72.50 69.83 2baa s THR 160 CO 0.56 0.49 1.62 0.00 -0.69 0.00 0.00 174.62 176.61 2baa h ALA 161 N 6.67 0.22 -5.47 7.40 0.00 -1.84 -3.39 119.26 122.85 2baa h ALA 161 Ca -0.32 -0.11 -0.26 0.00 0.00 0.00 0.00 54.91 54.23 2baa h ALA 161 Cb 1.19 -0.07 0.20 0.00 0.00 0.00 0.00 17.79 19.11 2baa h ALA 161 CO 0.64 -0.19 -0.86 1.04 0.00 0.00 0.00 179.25 179.88 2baa n GLN 162 N -4.85 -2.36 -1.57 0.00 6.02 -1.26 -4.13 117.38 109.23 2baa n GLN 162 Ca -0.04 0.86 -0.51 0.00 -0.01 0.00 0.00 57.00 57.30 2baa n GLN 162 Cb 0.12 -5.80 -0.05 0.00 1.02 0.00 0.00 30.24 25.53 2baa n GLN 162 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 177.06 173.75 2baa n PRO 163 N -3.28 1.01 0.00 -1.09 -0.02 -1.26 -1.19 135.00 129.17 2baa n PRO 163 Ca -0.08 0.36 0.15 0.00 -2.02 0.00 0.00 63.50 61.92 2baa n PRO 163 Cb 0.62 -1.89 0.85 0.00 -0.02 0.00 0.00 33.50 33.06 2baa n PRO 163 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2baa n PRO 164 N 1.98 0.74 -2.49 0.52 -0.04 -1.26 -5.09 135.00 129.36 2baa n PRO 164 Ca 0.17 -0.02 -0.41 0.00 -0.04 0.00 0.00 63.50 63.21 2baa n PRO 164 Cb 0.21 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.13 2baa n PRO 164 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 2baa s LYS 165 N -2.27 4.63 0.99 0.54 1.02 -0.33 -5.04 119.74 119.28 2baa s LYS 165 Ca 0.39 1.77 -0.15 0.00 0.02 0.00 0.00 55.97 58.00 2baa s LYS 165 Cb 0.21 -3.22 0.19 0.00 -0.52 0.00 0.00 37.83 34.49 2baa s LYS 165 CO 0.41 0.17 1.18 -1.25 -0.92 0.00 0.00 175.35 174.95 2baa s PRO 166 N -1.06 0.44 0.59 -1.68 0.04 -1.26 -4.01 135.00 128.05 2baa s PRO 166 Ca 0.46 0.01 -0.15 0.00 0.04 0.00 0.00 61.00 61.36 2baa s PRO 166 Cb -0.31 -1.78 -0.04 0.00 0.04 0.00 0.00 34.50 32.40 2baa s PRO 166 CO 0.39 -2.62 1.04 -1.54 0.04 0.00 0.00 177.00 174.31 2baa s SER 167 N -4.24 6.00 0.38 6.66 1.04 -1.26 -4.61 113.70 117.67 2baa s SER 167 Ca 0.68 1.69 0.05 0.00 0.48 0.00 0.00 55.95 58.86 2baa s SER 167 Cb -0.11 -2.52 0.74 0.00 0.10 0.00 0.00 66.02 64.24 2baa s SER 167 CO 0.54 -1.02 2.01 0.28 0.98 0.00 0.00 173.24 176.03 2baa h SER 168 N 0.38 0.56 0.05 7.02 0.02 -1.67 -2.50 113.55 117.39 2baa h SER 168 Ca -0.46 -0.03 0.03 0.00 -0.84 0.00 0.00 61.79 60.48 2baa h SER 168 Cb 1.21 -0.14 -0.04 0.00 0.14 0.00 0.00 62.40 63.57 2baa h SER 168 CO 0.59 0.44 -0.26 -0.74 -1.14 0.00 0.00 176.83 175.72 2baa h HIS 169 N 0.64 -0.70 -0.68 3.45 -0.00 -1.65 -1.93 115.15 114.27 2baa h HIS 169 Ca 0.17 0.02 -0.02 0.00 -0.00 0.00 0.00 60.37 60.54 2baa h HIS 169 Cb -0.00 0.30 -0.03 0.00 -0.00 0.00 0.00 27.41 27.68 2baa h HIS 169 CO 0.00 -0.36 0.34 0.00 -0.00 0.00 0.00 177.93 177.92 2baa h ALA 170 N 0.36 1.31 0.08 5.26 0.00 -1.74 -1.58 119.26 122.95 2baa h ALA 170 Ca 0.05 -0.13 -0.29 0.00 0.00 0.00 0.00 54.91 54.54 2baa h ALA 170 Cb 0.49 -0.28 0.03 0.00 0.00 0.00 0.00 17.79 18.03 2baa h ALA 170 CO -0.20 0.54 -1.18 -0.39 0.00 0.00 0.00 179.25 178.02 2baa h VAL 171 N 0.96 1.29 0.00 0.00 -1.51 -1.22 0.78 116.25 116.55 2baa h VAL 171 Ca 0.24 -2.40 -0.07 0.00 -1.23 0.00 0.00 66.70 63.23 2baa h VAL 171 Cb 0.08 2.59 -0.01 0.00 -2.13 0.00 0.00 31.29 31.82 2baa h VAL 171 CO -0.03 0.73 -0.35 -0.29 -1.23 0.00 0.00 177.57 176.40 2baa h ILE 172 N 0.31 0.87 -0.24 7.19 6.09 -1.12 -2.32 117.51 128.29 2baa h ILE 172 Ca -0.17 -1.43 0.00 0.00 -1.37 0.00 0.00 64.86 61.90 2baa h ILE 172 Cb 1.84 1.87 0.00 0.00 0.47 0.00 0.00 36.82 41.00 2baa h ILE 172 CO 0.23 0.35 0.00 0.00 -3.07 0.00 0.00 178.15 175.65 2baa n ALA 173 N -2.30 2.49 -1.37 0.18 0.00 -0.62 -4.84 120.51 114.04 2baa n ALA 173 Ca -0.00 -0.60 -0.01 0.00 0.00 0.00 0.00 53.44 52.82 2baa n ALA 173 Cb 0.48 -1.04 -0.00 0.00 0.00 0.00 0.00 19.45 18.89 2baa n ALA 173 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2baa n GLY 174 N 1.15 0.43 0.86 0.00 0.00 -0.87 -4.66 105.19 102.10 2baa n GLY 174 Ca 0.15 -0.96 0.01 0.00 0.00 0.00 0.00 46.02 45.23 2baa n GLY 174 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2baa n GLN 175 N -2.35 1.76 -3.83 1.61 6.02 0.25 -4.93 117.38 115.91 2baa n GLN 175 Ca -0.02 -3.18 -0.13 0.00 -0.01 0.00 0.00 57.00 53.67 2baa n GLN 175 Cb 0.20 -1.72 -0.14 0.00 1.02 0.00 0.00 30.24 29.60 2baa n GLN 175 CO 0.00 0.00 0.00 -0.46 -1.01 0.00 0.00 177.06 175.59 2baa s TRP 176 N -3.20 -0.05 -0.07 1.08 -0.00 -1.13 -4.83 118.94 110.74 2baa s TRP 176 Ca 0.41 0.16 0.03 0.00 -0.00 0.00 0.00 56.10 56.70 2baa s TRP 176 Cb 0.38 -0.03 0.01 0.00 -0.00 0.00 0.00 33.47 33.83 2baa s TRP 176 CO -0.02 -0.05 -0.14 0.45 -0.00 0.00 0.00 176.95 177.19 2baa s SER 177 N 0.30 1.97 0.23 5.86 0.15 -1.26 -4.90 113.70 116.04 2baa s SER 177 Ca -0.02 -0.33 -0.32 0.00 0.70 0.00 0.00 55.95 55.97 2baa s SER 177 Cb -0.03 -0.87 -0.13 0.00 -1.71 0.00 0.00 66.02 63.28 2baa s SER 177 CO -0.01 0.06 1.54 -0.81 1.20 0.00 0.00 173.24 175.22 2baa n PRO 178 N 3.70 2.32 -1.26 5.44 -0.04 -1.26 -5.02 135.00 138.89 2baa n PRO 178 Ca -0.22 0.83 -0.24 0.00 -0.04 0.00 0.00 63.50 63.84 2baa n PRO 178 Cb 0.52 -2.57 0.18 0.00 -0.04 0.00 0.00 33.50 31.58 2baa n PRO 178 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2baa n SER 179 N 2.76 -0.66 -0.23 3.54 3.41 -1.26 -4.78 113.62 116.39 2baa n SER 179 Ca 0.13 -1.25 -0.03 0.00 -0.26 0.00 0.00 58.87 57.46 2baa n SER 179 Cb 0.32 -0.81 0.16 0.00 -0.26 0.00 0.00 64.21 63.62 2baa n SER 179 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2baa h GLY 180 N -1.73 1.12 0.84 5.00 0.00 -1.99 -0.27 103.07 106.04 2baa h GLY 180 Ca -0.34 -0.54 -0.07 0.00 0.00 0.00 0.00 47.33 46.38 2baa h GLY 180 CO 0.23 0.51 -0.13 0.00 0.00 0.00 0.00 176.54 177.16 2baa h ALA 181 N 1.35 0.33 -0.71 3.60 0.00 -1.98 0.53 119.26 122.37 2baa h ALA 181 Ca 0.25 -0.31 0.05 0.00 0.00 0.00 0.00 54.91 54.91 2baa h ALA 181 Cb 0.10 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.76 2baa h ALA 181 CO -0.03 0.20 0.42 -0.44 0.00 0.00 0.00 179.25 179.39 2baa h ASP 182 N 0.21 0.65 -0.47 0.00 3.32 -1.74 0.15 116.42 118.53 2baa h ASP 182 Ca 0.05 0.02 -0.06 0.00 0.02 0.00 0.00 57.03 57.06 2baa h ASP 182 Cb 0.63 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 40.05 2baa h ASP 182 CO 0.04 0.43 0.07 0.03 -1.72 0.00 0.00 179.24 178.08 2baa h ARG 183 N 0.78 0.79 -0.37 3.56 3.08 -0.82 0.22 114.38 121.62 2baa h ARG 183 Ca 0.31 -0.21 -0.03 0.00 0.07 0.00 0.00 59.98 60.12 2baa h ARG 183 Cb 0.15 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.09 2baa h ARG 183 CO -0.16 0.80 0.11 0.00 -1.07 0.00 0.00 179.97 179.65 2baa h ALA 184 N 0.95 1.51 -0.13 0.04 0.00 -0.59 -0.32 119.26 120.73 2baa h ALA 184 Ca 0.14 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2baa h ALA 184 Cb 0.40 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2baa h ALA 184 CO 0.01 0.37 0.00 0.00 0.00 0.00 0.00 179.25 179.63 2baa n ALA 185 N -2.48 2.53 -0.98 0.00 0.00 0.51 -4.90 120.51 115.19 2baa n ALA 185 Ca 0.02 -0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.09 2baa n ALA 185 Cb 0.17 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 18.50 2baa n ALA 185 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2baa n GLY 186 N 0.95 0.51 3.51 0.00 0.00 -0.13 -0.96 105.19 109.07 2baa n GLY 186 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 2baa n GLY 186 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2baa s ARG 187 N -0.32 3.27 0.17 1.61 0.52 0.60 -4.69 118.95 120.11 2baa s ARG 187 Ca 0.00 -0.72 0.09 0.00 -0.52 0.00 0.00 55.73 54.59 2baa s ARG 187 Cb 0.00 -4.45 -0.04 0.00 0.52 0.00 0.00 34.95 30.97 2baa s ARG 187 CO 0.00 -2.02 -0.20 0.14 0.02 0.00 0.00 175.30 173.24 2baa s VAL 188 N 4.79 1.95 0.21 3.52 -7.23 -1.26 -4.25 120.40 118.14 2baa s VAL 188 Ca 0.32 -1.93 -0.32 0.00 -1.81 0.00 0.00 61.98 58.25 2baa s VAL 188 Cb -0.09 -1.90 -0.14 0.00 0.56 0.00 0.00 36.38 34.80 2baa s VAL 188 CO 0.07 -0.25 1.30 -2.65 -0.31 0.00 0.00 175.10 173.26 2baa n PRO 189 N 0.32 1.68 0.00 4.82 -0.02 -1.26 -4.56 135.00 135.99 2baa n PRO 189 Ca -0.13 0.60 0.00 0.00 -2.02 0.00 0.00 63.50 61.95 2baa n PRO 189 Cb 0.57 -2.19 0.00 0.00 -0.02 0.00 0.00 33.50 31.86 2baa n PRO 189 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2baa n GLY 190 N 2.08 1.22 0.31 -1.23 0.00 -1.26 -4.66 105.19 101.65 2baa n GLY 190 Ca 0.13 -1.49 0.06 0.00 0.00 0.00 0.00 46.02 44.72 2baa n GLY 190 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2baa h PHE 191 N 0.00 0.41 -0.65 1.61 3.57 -1.67 -2.74 116.94 117.48 2baa h PHE 191 Ca 0.00 0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.56 2baa h PHE 191 Cb 0.00 -0.14 -0.05 0.00 2.79 0.00 0.00 35.95 38.55 2baa h PHE 191 CO 0.00 0.25 0.38 0.78 -2.23 0.00 0.00 178.31 177.48 2baa h GLY 192 N 0.44 0.95 1.94 2.40 0.00 -0.81 -1.35 103.07 106.63 2baa h GLY 192 Ca 0.15 -0.27 -0.04 0.00 0.00 0.00 0.00 47.33 47.17 2baa h GLY 192 CO -0.04 0.19 -0.16 -2.08 0.00 0.00 0.00 176.54 174.46 2baa h VAL 193 N 0.71 1.14 -0.34 4.60 2.07 -1.70 -1.66 116.25 121.08 2baa h VAL 193 Ca 0.28 -0.65 -0.07 0.00 0.82 0.00 0.00 66.70 67.08 2baa h VAL 193 Cb 0.13 1.28 -0.01 0.00 -1.52 0.00 0.00 31.29 31.16 2baa h VAL 193 CO -0.15 0.19 -0.06 0.40 0.02 0.00 0.00 177.57 177.97 2baa h ILE 194 N 0.08 1.27 -0.57 4.57 2.04 -1.32 -0.14 117.51 123.43 2baa h ILE 194 Ca 0.02 -1.11 0.08 0.00 1.00 0.00 0.00 64.86 64.85 2baa h ILE 194 Cb 0.33 1.29 -0.07 0.00 -0.74 0.00 0.00 36.82 37.63 2baa h ILE 194 CO 0.02 0.36 0.21 0.74 0.00 0.00 0.00 178.15 179.49 2baa h THR 195 N 0.44 0.79 -0.57 -0.27 2.02 -1.12 -0.12 112.91 114.10 2baa h THR 195 Ca 0.09 -0.14 0.05 0.00 0.77 0.00 0.00 66.41 67.19 2baa h THR 195 Cb 0.56 0.36 -0.05 0.00 -1.74 0.00 0.00 68.15 67.28 2baa h THR 195 CO 0.03 0.07 0.29 -1.13 0.37 0.00 0.00 175.52 175.15 2baa h ASN 196 N 0.40 0.41 -0.02 4.18 -0.73 -0.83 0.17 115.58 119.15 2baa h ASN 196 Ca 0.28 0.03 0.01 0.00 1.87 0.00 0.00 56.30 58.50 2baa h ASN 196 Cb 0.33 -0.04 -0.01 0.00 0.27 0.00 0.00 38.32 38.87 2baa h ASN 196 CO -0.28 0.27 -0.03 0.40 -0.37 0.00 0.00 177.43 177.42 2baa h ILE 197 N 0.54 0.92 -0.50 2.57 2.04 -0.06 0.15 117.51 123.17 2baa h ILE 197 Ca 0.26 0.00 -0.10 0.00 1.00 0.00 0.00 64.86 66.01 2baa h ILE 197 Cb 0.18 0.92 -0.02 0.00 -0.74 0.00 0.00 36.82 37.15 2baa h ILE 197 CO -0.18 0.00 -0.09 0.40 0.00 0.00 0.00 178.15 178.28 2baa h ILE 198 N -0.05 1.27 0.00 -0.67 2.04 -0.32 -3.41 117.51 116.37 2baa h ILE 198 Ca 0.02 -1.22 -0.11 0.00 1.00 0.00 0.00 64.86 64.55 2baa h ILE 198 Cb 0.07 1.04 -0.12 0.00 -0.74 0.00 0.00 36.82 37.07 2baa h ILE 198 CO -0.05 0.42 -0.30 -3.20 0.00 0.00 0.00 178.15 175.03 2baa n ASN 199 N -4.23 -0.65 -0.11 1.72 5.15 0.51 -4.99 115.26 112.66 2baa n ASN 199 Ca 0.01 -1.82 0.11 0.00 -0.60 0.00 0.00 54.58 52.27 2baa n ASN 199 Cb 0.38 0.19 0.47 0.00 -0.53 0.00 0.00 39.78 40.29 2baa n ASN 199 CO 0.00 0.00 0.00 1.23 1.40 0.00 0.00 177.26 179.89 2baa h GLY 200 N 0.08 0.66 1.35 8.20 0.00 -0.59 -0.84 103.07 111.94 2baa h GLY 200 Ca -0.43 -0.19 0.04 0.00 0.00 0.00 0.00 47.33 46.74 2baa h GLY 200 CO -0.20 0.12 0.34 -1.33 0.00 0.00 0.00 176.54 175.47 2baa h GLY 201 N 0.47 0.64 0.25 4.60 0.00 -1.89 0.17 103.07 107.31 2baa h GLY 201 Ca 0.29 -0.22 -0.30 0.00 0.00 0.00 0.00 47.33 47.10 2baa h GLY 201 CO -0.09 0.18 -1.66 1.39 0.00 0.00 0.00 176.54 176.37 2baa n ILE 202 N -4.47 1.64 0.02 2.60 2.08 -0.87 -4.73 119.36 115.61 2baa n ILE 202 Ca 0.06 -0.31 0.05 0.00 0.56 0.00 0.00 62.75 63.10 2baa n ILE 202 Cb 0.17 -1.90 -0.10 0.00 -0.75 0.00 0.00 39.64 37.07 2baa n ILE 202 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 2baa n GLU 203 N -4.01 0.64 -3.88 0.38 1.02 -0.37 -5.00 120.64 109.41 2baa n GLU 203 Ca -0.34 0.04 -0.21 0.00 -0.02 0.00 0.00 57.16 56.64 2baa n GLU 203 Cb 0.85 -1.69 -0.03 0.00 -0.02 0.00 0.00 31.44 30.55 2baa n GLU 203 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2baa n GLY 205 N -1.39 0.84 2.75 0.00 0.00 0.05 -4.70 105.19 102.74 2baa n GLY 205 Ca -0.05 -0.57 -0.03 0.00 0.00 0.00 0.00 46.02 45.36 2baa n GLY 205 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2baa n HIS 206 N -2.76 1.39 -2.74 1.61 1.44 -1.11 -4.87 115.22 108.19 2baa n HIS 206 Ca -0.06 -2.23 0.03 0.00 -2.01 0.00 0.00 57.72 53.45 2baa n HIS 206 Cb 0.23 -0.25 -0.01 0.00 0.12 0.00 0.00 29.99 30.08 2baa n HIS 206 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2baa n GLY 207 N -0.55 -1.87 3.57 -1.39 0.00 -1.05 -4.86 105.19 99.05 2baa n GLY 207 Ca 0.11 -1.32 -0.56 0.00 0.00 0.00 0.00 46.02 44.25 2baa n GLY 207 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2baa n GLN 208 N -1.36 0.68 -4.07 1.61 6.02 -1.26 -4.71 117.38 114.29 2baa n GLN 208 Ca 0.00 0.25 -0.19 0.00 -0.01 0.00 0.00 57.00 57.04 2baa n GLN 208 Cb 0.10 -1.83 -0.16 0.00 1.02 0.00 0.00 30.24 29.37 2baa n GLN 208 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 2baa s ASP 209 N 0.60 0.85 0.45 1.08 -1.08 -1.26 -5.05 116.67 112.27 2baa s ASP 209 Ca 0.89 -0.10 0.12 0.00 -0.52 0.00 0.00 52.55 52.93 2baa s ASP 209 Cb -1.10 -0.39 1.02 0.00 -1.46 0.00 0.00 42.92 41.00 2baa s ASP 209 CO 0.53 -0.08 2.07 0.77 0.52 0.00 0.00 175.17 178.98 2baa h SER 210 N 7.28 0.20 -0.08 -0.34 4.64 -1.96 -0.95 113.55 122.35 2baa h SER 210 Ca -0.38 -0.01 -0.20 0.00 -0.47 0.00 0.00 61.79 60.73 2baa h SER 210 Cb 1.15 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 2baa h SER 210 CO 0.46 0.20 -0.68 0.03 -0.87 0.00 0.00 176.83 175.96 2baa h ARG 211 N 0.23 0.71 -0.66 4.77 -0.00 -1.96 0.83 114.38 118.29 2baa h ARG 211 Ca 0.06 -0.53 -0.09 0.00 -0.50 0.00 0.00 59.98 58.92 2baa h ARG 211 Cb 0.07 0.09 -0.03 0.00 0.00 0.00 0.00 29.97 30.11 2baa h ARG 211 CO -0.00 1.15 0.08 0.28 0.00 0.00 0.00 179.97 181.48 2baa h VAL 212 N 0.51 1.27 -0.09 2.04 2.07 -1.72 -2.19 116.25 118.14 2baa h VAL 212 Ca -0.02 -1.08 -0.07 0.00 0.82 0.00 0.00 66.70 66.35 2baa h VAL 212 Cb 1.29 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 31.71 2baa h VAL 212 CO 0.14 0.40 -0.26 0.00 0.02 0.00 0.00 177.57 177.87 2baa h ALA 213 N 1.04 1.40 -0.27 1.67 0.00 -0.66 -1.90 119.26 120.54 2baa h ALA 213 Ca 0.20 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 2baa h ALA 213 Cb 0.48 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 2baa h ALA 213 CO 0.02 0.42 0.05 0.22 0.00 0.00 0.00 179.25 179.96 2baa h ASP 214 N 0.14 0.43 -0.48 0.00 3.58 -0.39 -0.65 116.42 119.04 2baa h ASP 214 Ca 0.02 -0.25 0.07 0.00 0.42 0.00 0.00 57.03 57.29 2baa h ASP 214 Cb 0.54 -0.11 -0.06 0.00 1.72 0.00 0.00 39.33 41.42 2baa h ASP 214 CO 0.04 0.57 0.17 0.03 -2.88 0.00 0.00 179.24 177.17 2baa h ARG 215 N 0.26 0.33 -0.38 0.28 3.08 -0.86 -2.60 114.38 114.49 2baa h ARG 215 Ca 0.08 -0.02 -0.12 0.00 0.07 0.00 0.00 59.98 60.00 2baa h ARG 215 Cb 0.32 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.29 2baa h ARG 215 CO 0.00 0.22 -0.24 0.82 -1.07 0.00 0.00 179.97 179.70 2baa h ILE 216 N 0.34 1.27 -0.98 2.04 2.04 -1.16 -1.43 117.51 119.63 2baa h ILE 216 Ca 0.23 -1.35 0.02 0.00 1.00 0.00 0.00 64.86 64.76 2baa h ILE 216 Cb 0.25 1.23 -0.05 0.00 -0.74 0.00 0.00 36.82 37.51 2baa h ILE 216 CO -0.24 0.45 0.65 1.23 0.00 0.00 0.00 178.15 180.23 2baa h GLY 217 N 0.96 1.39 1.11 5.37 0.00 -0.75 -0.24 103.07 110.91 2baa h GLY 217 Ca 0.09 -0.51 -0.19 0.00 0.00 0.00 0.00 47.33 46.72 2baa h GLY 217 CO 0.06 0.49 -0.63 0.74 0.00 0.00 0.00 176.54 177.19 2baa h PHE 218 N 1.31 1.02 -0.19 5.60 0.04 -1.16 -2.24 116.94 121.31 2baa h PHE 218 Ca 0.37 -0.41 0.03 0.00 2.80 0.00 0.00 57.97 60.75 2baa h PHE 218 Cb -0.12 -0.17 -0.03 0.00 2.20 0.00 0.00 35.95 37.83 2baa h PHE 218 CO -0.00 1.23 0.02 -0.92 -0.60 0.00 0.00 178.31 178.04 2baa h TYR 219 N 0.51 0.03 -0.53 -0.55 3.20 -0.69 0.88 116.97 119.82 2baa h TYR 219 Ca -0.02 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.82 2baa h TYR 219 Cb 1.25 0.02 -0.02 0.00 1.54 0.00 0.00 36.73 39.52 2baa h TYR 219 CO 0.09 -0.00 0.17 0.87 -1.64 0.00 0.00 178.16 177.65 2baa h LYS 220 N 0.09 0.82 -0.78 1.82 1.57 -1.01 0.20 116.57 119.28 2baa h LYS 220 Ca 0.09 -0.17 -0.02 0.00 -1.87 0.00 0.00 60.65 58.67 2baa h LYS 220 Cb 0.10 -0.12 -0.04 0.00 0.08 0.00 0.00 32.23 32.25 2baa h LYS 220 CO -0.13 0.75 0.41 -0.09 -0.57 0.00 0.00 179.45 179.82 2baa h ARG 221 N 0.73 1.11 -0.28 3.15 2.43 -1.16 0.84 114.38 121.19 2baa h ARG 221 Ca 0.17 -0.14 -0.18 0.00 -0.81 0.00 0.00 59.98 59.02 2baa h ARG 221 Cb 0.27 -0.21 -0.00 0.00 -0.42 0.00 0.00 29.97 29.61 2baa h ARG 221 CO -0.01 0.84 -0.53 1.88 -1.51 0.00 0.00 179.97 180.64 2baa h TYR 222 N 1.10 1.04 -0.73 2.20 0.05 -0.17 -1.58 116.97 118.88 2baa h TYR 222 Ca 0.27 -0.36 0.01 0.00 0.05 0.00 0.00 58.73 58.70 2baa h TYR 222 Cb 0.07 -0.20 -0.04 0.00 1.01 0.00 0.00 36.73 37.58 2baa h TYR 222 CO 0.01 1.18 0.48 0.00 -1.05 0.00 0.00 178.16 178.77 2baa h ASP 224 N 0.99 0.87 -0.58 0.00 3.32 -0.64 0.46 116.42 120.83 2baa h ASP 224 Ca 0.27 -0.20 -0.07 0.00 0.02 0.00 0.00 57.03 57.04 2baa h ASP 224 Cb -0.11 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.18 2baa h ASP 224 CO -0.06 0.84 0.10 0.40 -1.72 0.00 0.00 179.24 178.80 2baa h ILE 225 N 0.85 1.25 0.00 0.35 2.04 -0.83 -0.60 117.51 120.57 2baa h ILE 225 Ca 0.19 -0.98 0.00 0.00 1.00 0.00 0.00 64.86 65.07 2baa h ILE 225 Cb 0.28 0.67 0.00 0.00 -0.74 0.00 0.00 36.82 37.03 2baa h ILE 225 CO -0.01 0.36 0.00 0.18 0.00 0.00 0.00 178.15 178.69 2baa n LEU 226 N -4.23 0.13 -2.83 1.44 4.32 0.25 -4.94 117.00 111.15 2baa n LEU 226 Ca 0.04 0.52 -0.14 0.00 -0.02 0.00 0.00 56.01 56.41 2baa n LEU 226 Cb 0.28 -0.48 0.07 0.00 -1.62 0.00 0.00 43.42 41.66 2baa n LEU 226 CO 0.42 -0.09 0.10 0.61 -1.22 0.00 0.00 177.39 177.21 2baa n GLY 227 N 1.17 -0.16 3.21 -0.72 0.00 0.14 -5.05 105.19 103.78 2baa n GLY 227 Ca 0.06 -0.03 -0.20 0.00 0.00 0.00 0.00 46.02 45.85 2baa n GLY 227 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2baa s VAL 228 N -3.27 1.28 0.70 1.61 0.11 -0.14 -5.02 120.40 115.68 2baa s VAL 228 Ca 0.07 -1.43 -0.12 0.00 -2.93 0.00 0.00 61.98 57.57 2baa s VAL 228 Cb -0.03 -1.26 0.02 0.00 -1.53 0.00 0.00 36.38 33.58 2baa s VAL 228 CO 0.55 -0.22 1.09 -0.83 -3.33 0.00 0.00 175.10 172.36 2baa s GLY 229 N -1.90 1.86 0.27 6.54 0.00 -1.26 -4.39 107.32 108.44 2baa s GLY 229 Ca 0.02 0.32 0.26 0.00 0.00 0.00 0.00 44.72 45.31 2baa s GLY 229 CO 0.03 0.66 1.75 -0.97 0.00 0.00 0.00 173.10 174.57 2baa h TYR 230 N -0.52 0.00 -0.01 1.90 0.05 -1.97 -3.47 116.97 112.95 2baa h TYR 230 Ca -0.45 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.33 2baa h TYR 230 Cb 1.23 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.97 2baa h TYR 230 CO 0.58 0.00 0.00 0.41 -1.05 0.00 0.00 178.16 178.10 2baa n GLY 231 N 0.82 -2.05 3.85 3.88 0.00 -1.26 -4.84 105.19 105.59 2baa n GLY 231 Ca 0.04 -1.42 -0.28 0.00 0.00 0.00 0.00 46.02 44.36 2baa n GLY 231 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2baa s ASN 232 N -4.00 4.46 -1.10 1.61 -0.87 -1.26 -4.85 114.94 108.94 2baa s ASN 232 Ca 0.00 -1.36 -0.02 0.00 -1.57 0.00 0.00 52.86 49.91 2baa s ASN 232 Cb 0.00 0.39 -0.02 0.00 -0.02 0.00 0.00 41.25 41.60 2baa s ASN 232 CO 0.00 -0.99 0.93 0.59 -2.57 0.00 0.00 177.10 175.06 2baa n ASN 233 N -1.57 -3.46 0.20 -1.22 3.02 -1.26 -4.02 115.26 106.94 2baa n ASN 233 Ca -0.07 -0.62 0.08 0.00 -0.03 0.00 0.00 54.58 53.94 2baa n ASN 233 Cb 0.65 -4.94 0.29 0.00 -0.61 0.00 0.00 39.78 35.17 2baa n ASN 233 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 2baa h LEU 234 N -1.56 0.00-10.03 3.41 3.38 -1.93 -0.25 115.31 108.34 2baa h LEU 234 Ca -0.57 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 56.82 2baa h LEU 234 Cb 1.31 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.98 2baa h LEU 234 CO 0.46 0.28 -0.45 1.51 0.09 0.00 0.00 178.44 180.33 2baa s ASP 235 N -6.27 4.43 -0.15 -0.43 1.47 -1.26 -2.68 116.67 111.78 2baa s ASP 235 Ca 0.02 -1.20 0.15 0.00 1.18 0.00 0.00 52.55 52.70 2baa s ASP 235 Cb 0.09 -0.12 0.39 0.00 -0.34 0.00 0.00 42.92 42.94 2baa s ASP 235 CO 0.67 -0.72 1.19 0.00 0.68 0.00 0.00 175.17 177.00 2baa h TYR 237 N 0.87 0.15 -0.11 0.00 0.05 -1.91 0.28 116.97 116.30 2baa h TYR 237 Ca -0.05 -0.01 -0.04 0.00 0.05 0.00 0.00 58.73 58.68 2baa h TYR 237 Cb 1.22 -0.04 -0.02 0.00 1.01 0.00 0.00 36.73 38.89 2baa h TYR 237 CO 0.53 0.24 -0.22 -1.13 -1.05 0.00 0.00 178.16 176.53 2baa n SER 238 N -4.35 2.27 -4.86 3.88 3.41 -1.26 -2.52 113.62 110.19 2baa n SER 238 Ca -0.01 -3.58 -0.34 0.00 -0.26 0.00 0.00 58.87 54.68 2baa n SER 238 Cb 0.21 -0.53 -0.06 0.00 -0.26 0.00 0.00 64.21 63.57 2baa n SER 238 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 2baa s GLN 239 N -3.11 3.33 0.35 4.33 -0.21 -0.99 -4.61 119.66 118.75 2baa s GLN 239 Ca 0.38 -0.32 -0.25 0.00 0.02 0.00 0.00 55.36 55.19 2baa s GLN 239 Cb 0.35 -3.05 -0.10 0.00 1.00 0.00 0.00 33.01 31.22 2baa s GLN 239 CO -0.01 0.69 0.96 1.03 -2.12 0.00 0.00 175.29 175.84 2baa s ARG 240 N -1.64 4.48 0.74 2.91 1.81 -0.13 -2.07 118.95 125.05 2baa s ARG 240 Ca 0.23 1.34 -0.15 0.00 -1.72 0.00 0.00 55.73 55.42 2baa s ARG 240 Cb -0.12 -2.69 0.04 0.00 -0.45 0.00 0.00 34.95 31.72 2baa s ARG 240 CO 0.13 0.18 1.22 -2.30 -0.68 0.00 0.00 175.30 173.85 2baa n PRO 241 N 0.33 0.60 -1.90 3.54 -0.02 -1.26 -4.87 135.00 131.42 2baa n PRO 241 Ca 0.03 0.27 -0.41 0.00 -2.02 0.00 0.00 63.50 61.37 2baa n PRO 241 Cb 0.50 -2.46 -0.01 0.00 -0.02 0.00 0.00 33.50 31.52 2baa n PRO 241 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 2baa s PHE 242 N -1.79 2.72 0.00 6.00 0.08 -1.26 -5.02 117.98 118.72 2baa s PHE 242 Ca 0.77 1.25 0.00 0.00 0.12 0.00 0.00 56.93 59.07 2baa s PHE 242 Cb -0.33 -3.92 0.00 0.00 -0.57 0.00 0.00 43.02 38.20 2baa s PHE 242 CO 0.46 -2.64 0.16 0.00 -0.10 0.00 0.00 175.22 173.10