#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ncr s LEU 2 N 0.00 4.30 0.19 0.99 2.96 -1.26 -4.96 118.68 120.90 1ncr s LEU 2 Ca 0.00 2.13 -0.31 0.00 -0.22 0.00 0.00 54.13 55.73 1ncr s LEU 2 Cb 0.00 -3.54 -0.09 0.00 0.50 0.00 0.00 46.19 43.05 1ncr s LEU 2 CO 0.00 -0.86 1.46 -2.16 -1.32 0.00 0.00 176.35 173.47 1ncr s PRO 3 N 3.54 4.27 0.14 0.98 0.04 -1.26 -5.01 135.00 137.71 1ncr s PRO 3 Ca 0.68 2.25 0.06 0.00 0.04 0.00 0.00 61.00 64.04 1ncr s PRO 3 Cb -0.31 -3.16 -0.04 0.00 0.04 0.00 0.00 34.50 31.03 1ncr s PRO 3 CO 0.26 -0.47 -0.14 0.14 0.04 0.00 0.00 177.00 176.84 1ncr s VAL 4 N 0.59 1.43 -0.28 -0.36 -7.23 -1.26 -5.12 120.40 108.17 1ncr s VAL 4 Ca 0.63 -1.86 0.03 0.00 -1.81 0.00 0.00 61.98 58.97 1ncr s VAL 4 Cb -0.41 -1.69 0.07 0.00 0.56 0.00 0.00 36.38 34.91 1ncr s VAL 4 CO 0.36 -0.48 -0.04 -0.47 -0.31 0.00 0.00 175.10 174.17 1ncr s TYR 5 N -2.41 3.17 -0.11 2.82 6.14 -1.26 -5.08 117.35 120.62 1ncr s TYR 5 Ca 0.13 -2.40 -0.29 0.00 0.64 0.00 0.00 57.07 55.15 1ncr s TYR 5 Cb -0.03 -2.16 -0.05 0.00 0.42 0.00 0.00 41.96 40.14 1ncr s TYR 5 CO 0.04 -0.88 1.72 0.08 0.64 0.00 0.00 175.55 177.15 1ncr s VAL 6 N 1.12 3.51 0.34 3.14 1.01 -1.26 -4.98 120.40 123.29 1ncr s VAL 6 Ca -0.01 0.60 -0.11 0.00 0.00 0.00 0.00 61.98 62.46 1ncr s VAL 6 Cb -0.19 -3.45 -0.07 0.00 0.00 0.00 0.00 36.38 32.66 1ncr s VAL 6 CO -0.07 -0.13 0.70 0.42 0.00 0.00 0.00 175.10 176.02 1ncr s THR 7 N 4.81 4.82 0.44 3.92 -4.23 -1.26 -5.01 115.64 119.12 1ncr s THR 7 Ca 0.77 0.59 -0.24 0.00 -1.18 0.00 0.00 61.69 61.63 1ncr s THR 7 Cb -0.32 -3.69 -0.10 0.00 1.34 0.00 0.00 72.50 69.74 1ncr s THR 7 CO 0.31 -0.34 1.11 -2.65 -0.54 0.00 0.00 174.62 172.51 1ncr n PRO 8 N -0.85 1.53 0.00 3.99 -0.02 -1.26 -1.90 135.00 136.50 1ncr n PRO 8 Ca 0.02 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 62.05 1ncr n PRO 8 Cb 0.54 -2.19 0.00 0.00 -0.02 0.00 0.00 33.50 31.83 1ncr n PRO 8 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ncr n GLY 9 N 1.04 2.98 3.63 -1.23 0.00 -1.26 -5.06 105.19 105.29 1ncr n GLY 9 Ca 0.09 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.73 1ncr n GLY 9 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ncr n SER 10 N 0.00 0.98 0.00 1.61 7.64 -0.80 -2.18 113.62 120.87 1ncr n SER 10 Ca 0.00 0.84 0.00 0.00 1.01 0.00 0.00 58.87 60.72 1ncr n SER 10 Cb 0.00 -1.40 0.00 0.00 -1.01 0.00 0.00 64.21 61.80 1ncr n SER 10 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ncr n GLY 11 N 1.23 1.21 3.86 0.23 0.00 -1.26 -4.97 105.19 105.49 1ncr n GLY 11 Ca 0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.84 1ncr n GLY 11 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1ncr s GLN 12 N -0.11 3.43 -0.28 1.61 -2.07 -0.93 -5.05 119.66 116.27 1ncr s GLN 12 Ca 0.00 0.78 0.03 0.00 -1.82 0.00 0.00 55.36 54.35 1ncr s GLN 12 Cb 0.00 -2.06 0.07 0.00 -1.09 0.00 0.00 33.01 29.93 1ncr s GLN 12 CO 0.00 -0.70 -0.07 0.12 -1.32 0.00 0.00 175.29 173.32 1ncr s PHE 13 N -3.16 3.37 -0.26 9.60 5.36 -1.26 -5.08 117.98 126.55 1ncr s PHE 13 Ca 0.56 -2.48 -0.08 0.00 -0.96 0.00 0.00 56.93 53.96 1ncr s PHE 13 Cb -0.12 -2.17 -0.03 0.00 -0.34 0.00 0.00 43.02 40.37 1ncr s PHE 13 CO 0.54 -0.90 0.09 1.41 -1.46 0.00 0.00 175.22 174.91 1ncr s MET 14 N 1.06 3.62 0.25 10.12 -2.45 -1.26 -4.97 119.30 125.66 1ncr s MET 14 Ca -0.04 -0.51 0.13 0.00 -1.25 0.00 0.00 55.69 54.02 1ncr s MET 14 Cb -0.20 -3.39 0.72 0.00 1.25 0.00 0.00 34.83 33.21 1ncr s MET 14 CO -0.06 -0.23 1.34 0.25 1.05 0.00 0.00 175.02 177.37 1ncr n THR 15 N 4.94 0.98 -0.59 10.11 -2.24 -1.26 -0.93 114.28 125.29 1ncr n THR 15 Ca -0.16 0.69 0.06 0.00 -2.27 0.00 0.00 64.05 62.38 1ncr n THR 15 Cb 0.51 -1.69 0.16 0.00 -2.10 0.00 0.00 70.33 67.21 1ncr n THR 15 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1ncr n THR 16 N -1.98 1.61 -1.32 4.28 -2.24 -1.26 -5.03 114.28 108.35 1ncr n THR 16 Ca -0.01 -1.54 -0.29 0.00 -2.27 0.00 0.00 64.05 59.95 1ncr n THR 16 Cb 0.17 0.10 0.16 0.00 -2.10 0.00 0.00 70.33 68.66 1ncr n THR 16 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 1ncr s ASP 17 N -1.67 3.05 -0.45 3.42 1.47 -0.11 -5.03 116.67 117.36 1ncr s ASP 17 Ca 0.27 1.13 0.05 0.00 1.18 0.00 0.00 52.55 55.19 1ncr s ASP 17 Cb 0.21 -1.77 0.20 0.00 -0.34 0.00 0.00 42.92 41.21 1ncr s ASP 17 CO 0.08 -2.86 0.43 -0.67 0.68 0.00 0.00 175.17 172.83 1ncr n ASP 18 N -3.99 0.27 -4.84 2.11 2.03 -1.26 -5.07 116.55 105.80 1ncr n ASP 18 Ca 0.06 -2.60 -0.24 0.00 0.52 0.00 0.00 54.79 52.53 1ncr n ASP 18 Cb 0.58 -0.60 -0.04 0.00 -0.72 0.00 0.00 41.12 40.34 1ncr n ASP 18 CO 0.00 0.00 0.00 -0.04 -1.92 0.00 0.00 177.20 175.24 1ncr s MET 19 N -0.58 2.35 0.23 -0.67 -1.94 -1.26 -5.14 119.30 112.29 1ncr s MET 19 Ca 0.33 -1.79 0.05 0.00 -1.71 0.00 0.00 55.69 52.58 1ncr s MET 19 Cb 0.07 -2.16 -0.03 0.00 2.01 0.00 0.00 34.83 34.72 1ncr s MET 19 CO -0.16 -0.30 0.27 -0.65 -0.01 0.00 0.00 175.02 174.16 1ncr s GLN 20 N -4.10 3.19 -0.03 2.03 -0.21 -1.26 -5.13 119.66 114.15 1ncr s GLN 20 Ca 0.41 -0.86 -0.19 0.00 0.02 0.00 0.00 55.36 54.74 1ncr s GLN 20 Cb -0.01 -2.75 0.04 0.00 1.00 0.00 0.00 33.01 31.29 1ncr s GLN 20 CO 0.24 0.44 0.41 -1.54 -2.12 0.00 0.00 175.29 172.71 1ncr s SER 21 N -3.75 -0.32 0.52 5.90 1.04 -1.26 -5.15 113.70 110.68 1ncr s SER 21 Ca 0.33 0.27 -0.23 0.00 0.48 0.00 0.00 55.95 56.80 1ncr s SER 21 Cb -0.09 0.39 -0.06 0.00 0.10 0.00 0.00 66.02 66.36 1ncr s SER 21 CO 0.27 -0.48 1.40 -0.81 0.98 0.00 0.00 173.24 174.59 1ncr n PRO 22 N 1.23 1.90 -3.02 4.02 -0.04 -1.26 -4.96 135.00 132.87 1ncr n PRO 22 Ca -0.21 0.69 -0.40 0.00 -0.04 0.00 0.00 63.50 63.54 1ncr n PRO 22 Cb 0.56 -2.61 -0.05 0.00 -0.04 0.00 0.00 33.50 31.37 1ncr n PRO 22 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ncr h ALA 24 N 6.90 1.00 -2.50 0.00 0.00 -2.06 -3.33 119.26 119.27 1ncr h ALA 24 Ca -0.38 0.00 -0.61 0.00 0.00 0.00 0.00 54.91 53.92 1ncr h ALA 24 Cb 1.18 0.00 -0.42 0.00 0.00 0.00 0.00 17.79 18.56 1ncr h ALA 24 CO 0.77 0.00 -0.57 1.28 0.00 0.00 0.00 179.25 180.73 1ncr n LEU 25 N -2.53 3.56 -4.76 0.00 4.77 -1.26 -5.09 117.00 111.69 1ncr n LEU 25 Ca 0.03 -5.37 -0.38 0.00 -0.03 0.00 0.00 56.01 50.26 1ncr n LEU 25 Cb 0.32 -0.71 0.03 0.00 -2.33 0.00 0.00 43.42 40.73 1ncr n LEU 25 CO 0.25 1.95 0.96 -2.16 -1.33 0.00 0.00 177.39 177.06 1ncr s PRO 26 N -2.14 3.37 0.00 3.23 0.04 -1.25 -2.64 135.00 135.60 1ncr s PRO 26 Ca 0.35 2.16 0.00 0.00 0.04 0.00 0.00 61.00 63.55 1ncr s PRO 26 Cb 0.08 -2.36 0.00 0.00 0.04 0.00 0.00 34.50 32.26 1ncr s PRO 26 CO -0.06 -0.98 0.00 0.91 0.04 0.00 0.00 177.00 176.90 1ncr n TRP 27 N -0.76 0.00 -2.07 0.56 8.01 -1.26 -4.98 117.44 116.94 1ncr n TRP 27 Ca 0.09 0.00 -0.42 0.00 -1.31 0.00 0.00 57.50 55.86 1ncr n TRP 27 Cb 0.45 -0.37 -0.03 0.00 -2.01 0.00 0.00 31.31 29.35 1ncr n TRP 27 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.69 176.21 1ncr s TYR 28 N -2.51 3.15 -0.29 -5.99 5.04 -1.08 -5.00 117.35 110.66 1ncr s TYR 28 Ca 0.00 0.87 -0.06 0.00 -2.44 0.00 0.00 57.07 55.45 1ncr s TYR 28 Cb 0.00 -3.78 0.02 0.00 0.35 0.00 0.00 41.96 38.55 1ncr s TYR 28 CO 0.00 -2.74 0.06 -1.58 -1.34 0.00 0.00 175.55 169.94 1ncr s HIS 29 N 0.86 3.15 0.73 4.97 5.65 -1.26 -5.09 115.29 124.30 1ncr s HIS 29 Ca 0.65 -1.16 -0.16 0.00 0.25 0.00 0.00 55.06 54.64 1ncr s HIS 29 Cb -0.40 -2.22 0.04 0.00 -1.18 0.00 0.00 32.58 28.82 1ncr s HIS 29 CO 0.33 -0.63 1.23 -2.30 -0.65 0.00 0.00 174.74 172.73 1ncr n PRO 30 N 4.82 0.64 -1.81 2.88 -0.02 -1.26 -4.94 135.00 135.31 1ncr n PRO 30 Ca -0.14 0.28 -0.41 0.00 -2.02 0.00 0.00 63.50 61.21 1ncr n PRO 30 Cb 0.47 -2.47 -0.01 0.00 -0.02 0.00 0.00 33.50 31.47 1ncr n PRO 30 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1ncr s THR 31 N -1.76 2.10 0.34 3.45 2.01 -1.26 -4.91 115.64 115.63 1ncr s THR 31 Ca 0.78 0.10 -0.27 0.00 0.31 0.00 0.00 61.69 62.61 1ncr s THR 31 Cb -0.34 -3.06 -0.12 0.00 0.01 0.00 0.00 72.50 68.99 1ncr s THR 31 CO 0.46 0.02 1.10 2.29 -0.69 0.00 0.00 174.62 177.79 1ncr n LYS 32 N 1.33 1.59 -2.98 4.92 2.85 -1.26 -4.92 118.16 119.69 1ncr n LYS 32 Ca 0.04 0.56 -0.40 0.00 -1.05 0.00 0.00 58.31 57.47 1ncr n LYS 32 Cb 0.38 -2.05 -0.05 0.00 -0.65 0.00 0.00 35.03 32.66 1ncr n LYS 32 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 177.40 175.35 1ncr s GLU 33 N -1.79 4.48 0.29 -1.58 2.12 -1.26 -5.06 118.70 115.89 1ncr s GLU 33 Ca 0.59 1.03 0.09 0.00 0.36 0.00 0.00 54.97 57.04 1ncr s GLU 33 Cb -0.62 -3.40 -0.04 0.00 0.26 0.00 0.00 34.13 30.33 1ncr s GLU 33 CO 0.60 0.19 0.03 0.96 -0.54 0.00 0.00 175.26 176.50 1ncr s ILE 34 N 0.29 3.32 0.06 -3.70 -4.36 -1.26 -5.08 121.20 110.46 1ncr s ILE 34 Ca 0.39 -1.86 -0.31 0.00 -0.26 0.00 0.00 60.65 58.62 1ncr s ILE 34 Cb -0.20 -2.88 -0.06 0.00 1.25 0.00 0.00 42.46 40.57 1ncr s ILE 34 CO 0.22 -0.32 1.28 0.12 0.24 0.00 0.00 174.94 176.48 1ncr s PHE 35 N -2.36 3.30 -0.09 1.37 5.36 -1.26 -5.01 117.98 119.29 1ncr s PHE 35 Ca 0.33 1.14 0.01 0.00 -0.96 0.00 0.00 56.93 57.45 1ncr s PHE 35 Cb -0.05 -3.53 0.02 0.00 -0.34 0.00 0.00 43.02 39.12 1ncr s PHE 35 CO 0.21 -1.75 -0.11 0.42 -1.46 0.00 0.00 175.22 172.52 1ncr s ILE 36 N 1.29 1.17 0.68 3.12 1.01 -1.26 -5.13 121.20 122.09 1ncr s ILE 36 Ca 0.61 -0.45 -0.16 0.00 0.00 0.00 0.00 60.65 60.65 1ncr s ILE 36 Cb -0.32 -1.11 0.01 0.00 0.01 0.00 0.00 42.46 41.06 1ncr s ILE 36 CO 0.29 0.38 1.17 -2.84 0.00 0.00 0.00 174.94 173.93 1ncr s PRO 37 N 1.04 2.49 0.00 2.79 0.02 -1.26 -4.01 135.00 136.07 1ncr s PRO 37 Ca -0.07 1.64 0.00 0.00 0.02 0.00 0.00 61.00 62.59 1ncr s PRO 37 Cb -0.15 -1.89 0.00 0.00 0.02 0.00 0.00 34.50 32.49 1ncr s PRO 37 CO -0.01 -1.54 0.00 0.41 -0.33 0.00 0.00 177.00 175.53 1ncr n GLY 38 N 0.10 0.57 3.77 0.52 0.00 -1.26 -5.04 105.19 103.85 1ncr n GLY 38 Ca 0.12 -0.71 -0.41 0.00 0.00 0.00 0.00 46.02 45.02 1ncr n GLY 38 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ncr s GLU 39 N -1.32 4.21 -0.09 1.61 2.12 -1.26 -5.01 118.70 118.97 1ncr s GLU 39 Ca 0.00 2.40 0.03 0.00 0.36 0.00 0.00 54.97 57.76 1ncr s GLU 39 Cb 0.00 -3.01 -0.02 0.00 0.26 0.00 0.00 34.13 31.37 1ncr s GLU 39 CO 0.00 -0.38 -0.17 0.08 -0.54 0.00 0.00 175.26 174.25 1ncr s VAL 40 N -1.13 2.73 -0.03 3.70 1.01 -1.26 -5.01 120.40 120.41 1ncr s VAL 40 Ca 0.51 -0.81 0.09 0.00 0.00 0.00 0.00 61.98 61.78 1ncr s VAL 40 Cb -0.43 -2.09 -0.14 0.00 0.00 0.00 0.00 36.38 33.73 1ncr s VAL 40 CO 0.58 0.56 0.16 0.29 0.00 0.00 0.00 175.10 176.69 1ncr n LYS 41 N 3.07 0.83 -3.78 2.72 5.02 -1.26 -5.01 118.16 119.76 1ncr n LYS 41 Ca -0.18 -0.07 -0.13 0.00 -2.02 0.00 0.00 58.31 55.92 1ncr n LYS 41 Cb 0.52 -1.22 -0.12 0.00 -0.02 0.00 0.00 35.03 34.20 1ncr n LYS 41 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1ncr s ASN 42 N -3.31 -0.27 0.66 4.39 3.84 -1.26 -5.03 114.94 113.96 1ncr s ASN 42 Ca -0.04 0.52 0.43 0.00 0.21 0.00 0.00 52.86 53.98 1ncr s ASN 42 Cb 0.05 0.50 2.36 0.00 -0.55 0.00 0.00 41.25 43.62 1ncr s ASN 42 CO 0.38 -0.10 2.33 -0.07 -2.79 0.00 0.00 177.10 176.85 1ncr h LEU 43 N 5.96 0.00 -1.82 3.21 3.38 -2.02 -1.30 115.31 122.73 1ncr h LEU 43 Ca -0.28 0.00 0.04 0.00 0.09 0.00 0.00 57.88 57.73 1ncr h LEU 43 Cb 1.19 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.92 1ncr h LEU 43 CO 0.35 0.00 0.20 -0.29 0.09 0.00 0.00 178.44 178.79 1ncr h ILE 44 N 0.00 0.97 -0.75 1.22 6.09 -1.98 0.08 117.51 123.14 1ncr h ILE 44 Ca 0.00 -0.08 0.05 0.00 -1.37 0.00 0.00 64.86 63.46 1ncr h ILE 44 Cb 0.04 0.73 -0.04 0.00 0.47 0.00 0.00 36.82 38.01 1ncr h ILE 44 CO 0.00 0.04 0.49 -0.33 -3.07 0.00 0.00 178.15 175.28 1ncr h GLU 45 N 0.23 0.82 0.00 2.19 5.08 -1.67 -1.33 114.58 119.90 1ncr h GLU 45 Ca 0.13 -0.05 -0.14 0.00 -1.00 0.00 0.00 59.36 58.29 1ncr h GLU 45 Cb 0.23 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 1ncr h GLU 45 CO -0.02 0.54 -0.72 0.52 -1.00 0.00 0.00 179.01 178.33 1ncr h MET 46 N 0.84 0.00 0.00 2.33 2.86 -1.17 -3.23 114.93 116.56 1ncr h MET 46 Ca 0.31 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.95 1ncr h MET 46 Cb 0.16 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.82 1ncr h MET 46 CO -0.10 0.66 0.00 0.00 1.06 0.00 0.00 176.91 178.53 1ncr n GLN 48 N -2.97 1.66 -3.81 0.00 6.02 -0.86 -0.67 117.38 116.74 1ncr n GLN 48 Ca 0.02 -0.96 -0.35 0.00 -0.01 0.00 0.00 57.00 55.70 1ncr n GLN 48 Cb 0.37 -1.46 -0.08 0.00 1.02 0.00 0.00 30.24 30.09 1ncr n GLN 48 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1ncr s VAL 49 N -1.94 5.23 0.47 5.09 1.01 -1.14 -4.73 120.40 124.38 1ncr s VAL 49 Ca 0.37 0.13 -0.24 0.00 0.00 0.00 0.00 61.98 62.23 1ncr s VAL 49 Cb 0.20 -3.38 -0.07 0.00 0.00 0.00 0.00 36.38 33.13 1ncr s VAL 49 CO 0.32 0.45 1.33 -1.81 0.00 0.00 0.00 175.10 175.38 1ncr s ASP 50 N 0.36 5.87 0.02 3.32 1.01 -1.26 -4.66 116.67 121.32 1ncr s ASP 50 Ca 0.07 2.69 -0.07 0.00 0.71 0.00 0.00 52.55 55.95 1ncr s ASP 50 Cb -0.11 -2.64 -0.00 0.00 1.01 0.00 0.00 42.92 41.18 1ncr s ASP 50 CO -0.01 -1.16 0.12 0.42 0.21 0.00 0.00 175.17 174.75 1ncr s THR 51 N -1.31 0.10 0.38 -1.27 -4.23 -1.09 -4.93 115.64 103.29 1ncr s THR 51 Ca 0.63 -0.83 -0.26 0.00 -1.18 0.00 0.00 61.69 60.05 1ncr s THR 51 Cb -0.39 -0.58 -0.09 0.00 1.34 0.00 0.00 72.50 72.78 1ncr s THR 51 CO 0.48 -0.46 1.16 -0.76 -0.54 0.00 0.00 174.62 174.50 1ncr s LEU 52 N -1.65 4.25 -0.22 4.79 1.43 -1.26 -2.19 118.68 123.83 1ncr s LEU 52 Ca -0.11 2.33 -0.14 0.00 -1.03 0.00 0.00 54.13 55.18 1ncr s LEU 52 Cb -0.06 -3.96 -0.04 0.00 0.03 0.00 0.00 46.19 42.17 1ncr s LEU 52 CO -0.01 -0.58 0.32 -0.63 0.23 0.00 0.00 176.35 175.69 1ncr s ILE 53 N -1.38 5.24 -0.56 -0.59 1.01 0.50 -4.72 121.20 120.70 1ncr s ILE 53 Ca 0.55 0.53 -0.07 0.00 0.00 0.00 0.00 60.65 61.66 1ncr s ILE 53 Cb -0.31 -3.66 -0.18 0.00 0.01 0.00 0.00 42.46 38.33 1ncr s ILE 53 CO 0.39 0.26 3.06 -0.81 0.00 0.00 0.00 174.94 177.85 1ncr n PRO 54 N 4.57 2.35 0.14 2.79 -0.04 -1.26 -4.57 135.00 138.98 1ncr n PRO 54 Ca -0.10 -1.32 0.17 0.00 -0.04 0.00 0.00 63.50 62.21 1ncr n PRO 54 Cb 0.51 -2.24 0.74 0.00 -0.04 0.00 0.00 33.50 32.48 1ncr n PRO 54 CO 0.00 0.00 0.00 0.97 -0.04 0.00 0.00 175.50 176.43 1ncr h ILE 55 N 2.50 0.65 -0.93 0.52 2.10 -1.83 -2.13 117.51 118.39 1ncr h ILE 55 Ca 0.40 0.00 -0.63 0.00 1.08 0.00 0.00 64.86 65.72 1ncr h ILE 55 Cb 0.92 0.82 -0.31 0.00 -1.09 0.00 0.00 36.82 37.16 1ncr h ILE 55 CO 0.82 0.00 0.53 -3.20 -1.08 0.00 0.00 178.15 175.21 1ncr n ASN 56 N -4.13 6.76 -3.40 2.19 5.15 -0.17 -4.85 115.26 116.80 1ncr n ASN 56 Ca 0.04 -3.77 -0.40 0.00 -0.60 0.00 0.00 54.58 49.85 1ncr n ASN 56 Cb 0.39 -0.84 -0.02 0.00 -0.53 0.00 0.00 39.78 38.78 1ncr n ASN 56 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 1ncr n SER 57 N -0.91 7.95 -4.87 1.20 3.41 -0.80 -4.38 113.62 115.23 1ncr n SER 57 Ca 0.58 -2.68 -0.31 0.00 -0.26 0.00 0.00 58.87 56.21 1ncr n SER 57 Cb 0.80 -1.55 0.03 0.00 -0.26 0.00 0.00 64.21 63.23 1ncr n SER 57 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1ncr s THR 58 N 1.94 4.16 0.28 6.66 -4.23 -1.26 -4.74 115.64 118.44 1ncr s THR 58 Ca 0.65 0.70 0.02 0.00 -1.18 0.00 0.00 61.69 61.88 1ncr s THR 58 Cb 0.17 -3.65 0.27 0.00 1.34 0.00 0.00 72.50 70.63 1ncr s THR 58 CO -0.07 -0.91 1.76 -0.61 -0.54 0.00 0.00 174.62 174.25 1ncr h GLN 59 N -0.51 0.65 0.00 3.99 4.15 -1.96 0.56 115.11 121.99 1ncr h GLN 59 Ca -0.44 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 58.94 1ncr h GLN 59 Cb 1.22 -0.15 0.00 0.00 0.21 0.00 0.00 27.48 28.76 1ncr h GLN 59 CO 0.62 0.43 0.00 0.66 -1.93 0.00 0.00 178.83 178.61 1ncr h SER 60 N 0.67 0.00 0.28 -0.69 4.64 -1.96 -3.25 113.55 113.25 1ncr h SER 60 Ca 0.52 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 61.51 1ncr h SER 60 Cb 0.78 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.81 1ncr h SER 60 CO -0.38 0.00 -1.99 0.59 -0.87 0.00 0.00 176.83 174.18 1ncr n ASN 61 N -2.96 0.70 -4.64 4.97 3.02 0.10 -4.93 115.26 111.51 1ncr n ASN 61 Ca 0.01 0.24 -0.47 0.00 -0.03 0.00 0.00 54.58 54.33 1ncr n ASN 61 Cb 0.33 0.23 -0.04 0.00 -0.61 0.00 0.00 39.78 39.70 1ncr n ASN 61 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 1ncr n ILE 62 N -2.98 0.43 -0.23 2.41 5.41 -0.63 -1.30 119.36 122.47 1ncr n ILE 62 Ca -0.24 -0.11 0.00 0.00 1.00 0.00 0.00 62.75 63.40 1ncr n ILE 62 Cb 1.09 -1.29 0.00 0.00 -0.71 0.00 0.00 39.64 38.73 1ncr n ILE 62 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1ncr n GLY 63 N 2.65 0.88 3.00 7.39 0.00 -1.26 -5.03 105.19 112.81 1ncr n GLY 63 Ca 0.15 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.08 1ncr n GLY 63 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1ncr s ASN 64 N -2.01 0.25 0.56 1.61 3.84 -0.42 -5.03 114.94 113.73 1ncr s ASN 64 Ca 0.00 -0.52 0.27 0.00 0.21 0.00 0.00 52.86 52.82 1ncr s ASN 64 Cb 0.00 0.11 1.62 0.00 -0.55 0.00 0.00 41.25 42.43 1ncr s ASN 64 CO 0.00 -0.33 2.18 -0.37 -2.79 0.00 0.00 177.10 175.79 1ncr h VAL 65 N 4.52 0.62 0.00 -5.21 -1.51 -1.98 -2.02 116.25 110.68 1ncr h VAL 65 Ca -0.32 -0.19 0.00 0.00 -1.23 0.00 0.00 66.70 64.95 1ncr h VAL 65 Cb 1.20 1.12 0.00 0.00 -2.13 0.00 0.00 31.29 31.48 1ncr h VAL 65 CO 0.43 0.05 0.03 0.77 -1.23 0.00 0.00 177.57 177.61 1ncr h SER 66 N 0.00 0.00 0.54 4.19 4.64 -1.94 -0.01 113.55 120.97 1ncr h SER 66 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ncr h SER 66 Cb 0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 1ncr h SER 66 CO 0.01 0.00 0.00 1.15 -0.87 0.00 0.00 176.83 177.12 1ncr n MET 67 N -2.36 0.04 0.00 4.77 0.00 -0.76 -2.29 117.12 116.52 1ncr n MET 67 Ca -0.02 0.29 0.10 0.00 0.00 0.00 0.00 57.70 58.08 1ncr n MET 67 Cb 0.06 -1.59 -0.07 0.00 0.00 0.00 0.00 33.22 31.63 1ncr n MET 67 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 175.97 176.63 1ncr n TYR 68 N -1.67 0.00 -4.29 3.17 4.01 -0.02 -1.00 117.16 117.36 1ncr n TYR 68 Ca 0.03 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.49 1ncr n TYR 68 Cb 0.18 -0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.10 1ncr n TYR 68 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 1ncr s THR 69 N -2.80 3.02 -0.13 -0.72 -4.23 -0.97 -4.25 115.64 105.55 1ncr s THR 69 Ca 0.12 -1.54 0.01 0.00 -1.18 0.00 0.00 61.69 59.10 1ncr s THR 69 Cb 0.17 -2.43 -0.01 0.00 1.34 0.00 0.00 72.50 71.57 1ncr s THR 69 CO 0.76 0.03 -0.16 -0.69 -0.54 0.00 0.00 174.62 174.01 1ncr s VAL 70 N -1.36 2.70 -0.01 2.29 1.01 -0.71 -4.60 120.40 119.73 1ncr s VAL 70 Ca 0.21 -0.78 -0.19 0.00 0.00 0.00 0.00 61.98 61.21 1ncr s VAL 70 Cb -0.10 -2.12 -0.05 0.00 0.00 0.00 0.00 36.38 34.11 1ncr s VAL 70 CO 0.12 0.53 0.56 -0.89 0.00 0.00 0.00 175.10 175.42 1ncr s THR 71 N 0.50 4.93 0.19 3.92 2.01 -1.26 -1.27 115.64 124.65 1ncr s THR 71 Ca -0.11 1.17 0.10 0.00 0.31 0.00 0.00 61.69 63.16 1ncr s THR 71 Cb -0.16 -3.89 -0.04 0.00 0.01 0.00 0.00 72.50 68.41 1ncr s THR 71 CO 0.05 0.44 -0.16 -0.76 -0.69 0.00 0.00 174.62 173.50 1ncr s LEU 72 N -0.30 2.74 0.07 4.42 1.43 0.58 -4.96 118.68 122.66 1ncr s LEU 72 Ca 0.29 -0.71 -0.27 0.00 -1.03 0.00 0.00 54.13 52.42 1ncr s LEU 72 Cb -0.18 -1.44 0.09 0.00 0.03 0.00 0.00 46.19 44.68 1ncr s LEU 72 CO 0.16 0.11 1.00 -0.94 0.23 0.00 0.00 176.35 176.91 1ncr s SER 73 N -2.76 -0.21 0.19 2.29 1.04 -1.26 -1.45 113.70 111.55 1ncr s SER 73 Ca 0.23 -0.24 -0.32 0.00 0.48 0.00 0.00 55.95 56.10 1ncr s SER 73 Cb -0.08 0.40 -0.12 0.00 0.10 0.00 0.00 66.02 66.31 1ncr s SER 73 CO 0.13 -0.71 1.73 -2.65 0.98 0.00 0.00 173.24 172.72 1ncr n PRO 74 N -0.39 2.72 -3.93 4.02 -0.02 -1.26 -4.46 135.00 131.69 1ncr n PRO 74 Ca -0.07 0.98 -0.28 0.00 -2.02 0.00 0.00 63.50 62.12 1ncr n PRO 74 Cb 0.61 -2.83 -0.03 0.00 -0.02 0.00 0.00 33.50 31.23 1ncr n PRO 74 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1ncr s GLN 75 N 1.45 3.44 -0.02 -0.52 -1.52 -1.26 -5.01 119.66 116.22 1ncr s GLN 75 Ca 0.77 -0.54 0.16 0.00 -1.95 0.00 0.00 55.36 53.80 1ncr s GLN 75 Cb -0.52 -2.98 -0.25 0.00 -0.22 0.00 0.00 33.01 29.05 1ncr s GLN 75 CO 0.34 0.54 0.38 0.25 -0.25 0.00 0.00 175.29 176.54 1ncr n THR 76 N -0.31 0.00 -4.73 -0.19 -2.24 -1.26 -4.93 114.28 100.62 1ncr n THR 76 Ca -0.06 -0.35 -0.32 0.00 -2.27 0.00 0.00 64.05 61.05 1ncr n THR 76 Cb 0.53 0.19 -0.12 0.00 -2.10 0.00 0.00 70.33 68.83 1ncr n THR 76 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1ncr s LYS 77 N -3.08 2.35 0.60 -0.78 1.02 -1.26 -5.12 119.74 113.47 1ncr s LYS 77 Ca -0.05 -0.81 -0.13 0.00 0.02 0.00 0.00 55.97 55.00 1ncr s LYS 77 Cb 0.10 -2.33 -0.04 0.00 -0.52 0.00 0.00 37.83 35.05 1ncr s LYS 77 CO 0.67 0.59 1.03 -0.51 -0.92 0.00 0.00 175.35 176.20 1ncr s LEU 78 N -1.13 3.35 -1.51 3.17 1.43 -1.26 -4.24 118.68 118.50 1ncr s LEU 78 Ca 0.14 1.55 -0.15 0.00 -1.03 0.00 0.00 54.13 54.64 1ncr s LEU 78 Cb -0.11 -4.49 0.13 0.00 0.03 0.00 0.00 46.19 41.75 1ncr s LEU 78 CO 0.04 -0.95 0.67 0.00 0.23 0.00 0.00 176.35 176.34 1ncr n ALA 79 N -2.42 -1.18 -1.71 4.21 0.00 -1.26 -4.94 120.51 113.22 1ncr n ALA 79 Ca 0.07 0.03 -0.35 0.00 0.00 0.00 0.00 53.44 53.19 1ncr n ALA 79 Cb 0.54 -3.19 0.03 0.00 0.00 0.00 0.00 19.45 16.82 1ncr n ALA 79 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1ncr s GLU 80 N -6.56 3.05 0.22 0.00 0.41 -1.26 -4.48 118.70 110.07 1ncr s GLU 80 Ca 0.61 1.69 -0.30 0.00 -0.41 0.00 0.00 54.97 56.57 1ncr s GLU 80 Cb -0.33 -1.95 -0.09 0.00 -1.78 0.00 0.00 34.13 29.98 1ncr s GLU 80 CO 0.75 -1.11 0.93 -2.00 -0.49 0.00 0.00 175.26 173.34 1ncr s GLU 81 N -3.44 4.82 -0.22 1.61 2.12 -1.26 -1.85 118.70 120.48 1ncr s GLU 81 Ca 0.74 1.46 -0.06 0.00 0.36 0.00 0.00 54.97 57.47 1ncr s GLU 81 Cb -0.27 -3.29 -0.11 0.00 0.26 0.00 0.00 34.13 30.72 1ncr s GLU 81 CO 0.32 0.49 -0.24 -0.89 -0.54 0.00 0.00 175.26 174.40 1ncr n ILE 82 N 1.65 1.20 -3.59 -3.70 5.41 0.19 -4.95 119.36 115.57 1ncr n ILE 82 Ca -0.02 -0.37 -0.10 0.00 1.00 0.00 0.00 62.75 63.27 1ncr n ILE 82 Cb 0.47 -1.57 -0.02 0.00 -0.71 0.00 0.00 39.64 37.81 1ncr n ILE 82 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 176.55 177.27 1ncr s PHE 83 N -2.41 -0.39 -0.28 1.39 -0.12 -1.22 -4.98 117.98 109.99 1ncr s PHE 83 Ca -0.30 0.09 -0.13 0.00 -0.05 0.00 0.00 56.93 56.54 1ncr s PHE 83 Cb 0.10 0.62 0.09 0.00 -0.63 0.00 0.00 43.02 43.20 1ncr s PHE 83 CO 0.42 -0.98 0.65 0.00 -0.05 0.00 0.00 175.22 175.27 1ncr s ALA 84 N -3.77 -1.85 0.14 1.99 0.00 -1.26 -1.64 121.76 115.38 1ncr s ALA 84 Ca 0.05 2.31 -0.06 0.00 0.00 0.00 0.00 51.96 54.26 1ncr s ALA 84 Cb -0.03 -1.49 -0.02 0.00 0.00 0.00 0.00 23.12 21.58 1ncr s ALA 84 CO -0.05 -0.55 0.18 0.96 0.00 0.00 0.00 175.76 176.30 1ncr s ILE 85 N 2.03 0.09 0.47 0.00 -4.36 -0.87 -5.01 121.20 113.56 1ncr s ILE 85 Ca -0.08 -1.57 -0.20 0.00 -0.26 0.00 0.00 60.65 58.54 1ncr s ILE 85 Cb -0.08 -1.85 -0.09 0.00 1.25 0.00 0.00 42.46 41.69 1ncr s ILE 85 CO -0.19 -0.42 0.98 -0.54 0.24 0.00 0.00 174.94 175.01 1ncr s LYS 86 N -3.98 4.02 0.20 0.37 1.02 -1.26 -1.57 119.74 118.53 1ncr s LYS 86 Ca 0.18 1.14 0.13 0.00 0.02 0.00 0.00 55.97 57.44 1ncr s LYS 86 Cb 0.05 -2.14 -0.04 0.00 -0.52 0.00 0.00 37.83 35.18 1ncr s LYS 86 CO -0.01 -0.22 1.29 0.28 -0.92 0.00 0.00 175.35 175.77 1ncr h VAL 87 N 1.53 1.03 -0.51 3.17 2.07 -1.47 -3.45 116.25 118.61 1ncr h VAL 87 Ca -0.48 -2.51 -0.79 0.00 0.82 0.00 0.00 66.70 63.74 1ncr h VAL 87 Cb 1.19 2.48 -0.02 0.00 -1.52 0.00 0.00 31.29 33.42 1ncr h VAL 87 CO 0.60 0.58 1.11 0.47 0.02 0.00 0.00 177.57 180.36 1ncr n ASP 88 N -3.20 1.14 -0.01 0.57 8.00 -1.26 -4.78 116.55 117.01 1ncr n ASP 88 Ca -0.01 0.83 0.23 0.00 0.71 0.00 0.00 54.79 56.56 1ncr n ASP 88 Cb 0.81 -0.95 0.69 0.00 -0.02 0.00 0.00 41.12 41.65 1ncr n ASP 88 CO 0.00 0.00 0.00 -0.29 -0.39 0.00 0.00 177.20 176.52 1ncr h ILE 89 N 6.29 0.30 -0.24 0.53 6.09 -1.89 -1.44 117.51 127.14 1ncr h ILE 89 Ca -0.24 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.25 1ncr h ILE 89 Cb 1.39 0.50 0.00 0.00 0.47 0.00 0.00 36.82 39.18 1ncr h ILE 89 CO 1.04 0.00 0.00 0.00 -3.07 0.00 0.00 178.15 176.12 1ncr n ALA 90 N -2.37 2.24 -1.96 0.18 0.00 -1.26 -4.20 120.51 113.14 1ncr n ALA 90 Ca 0.12 -1.31 -0.23 0.00 0.00 0.00 0.00 53.44 52.03 1ncr n ALA 90 Cb 0.86 -0.37 0.05 0.00 0.00 0.00 0.00 19.45 19.99 1ncr n ALA 90 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1ncr s SER 91 N -1.18 5.10 0.17 0.00 1.04 -0.55 -4.40 113.70 113.88 1ncr s SER 91 Ca 0.20 0.15 -0.18 0.00 0.48 0.00 0.00 55.95 56.60 1ncr s SER 91 Cb 0.13 -0.94 -0.08 0.00 0.10 0.00 0.00 66.02 65.23 1ncr s SER 91 CO 0.11 -1.32 0.64 -1.00 0.98 0.00 0.00 173.24 172.65 1ncr s HIS 92 N -2.94 3.68 -2.09 5.02 0.09 -1.26 0.55 115.29 118.34 1ncr s HIS 92 Ca 0.58 1.28 0.15 0.00 -0.00 0.00 0.00 55.06 57.07 1ncr s HIS 92 Cb -0.10 -2.52 0.65 0.00 -0.00 0.00 0.00 32.58 30.60 1ncr s HIS 92 CO 0.41 0.42 1.45 -0.35 -0.00 0.00 0.00 174.74 176.67 1ncr n PRO 93 N 0.98 1.37 0.21 8.40 -0.04 -1.26 -4.62 135.00 140.04 1ncr n PRO 93 Ca -0.05 -0.57 0.08 0.00 -0.04 0.00 0.00 63.50 62.93 1ncr n PRO 93 Cb 0.51 -1.27 0.39 0.00 -0.04 0.00 0.00 33.50 33.09 1ncr n PRO 93 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1ncr h LEU 94 N 1.06 0.00 -0.94 1.53 3.38 -1.33 -3.38 115.31 115.63 1ncr h LEU 94 Ca 0.00 0.00 0.12 0.00 0.09 0.00 0.00 57.88 58.09 1ncr h LEU 94 Cb 0.23 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 40.85 1ncr h LEU 94 CO 0.00 0.28 -0.45 0.00 0.09 0.00 0.00 178.44 178.36 1ncr n ALA 95 N -2.24 -0.33 1.93 1.53 0.00 0.19 -1.49 120.51 120.09 1ncr n ALA 95 Ca 0.00 0.87 0.09 0.00 0.00 0.00 0.00 53.44 54.40 1ncr n ALA 95 Cb 0.47 -0.29 0.51 0.00 0.00 0.00 0.00 19.45 20.14 1ncr n ALA 95 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1ncr n THR 96 N -5.29 0.00 -1.47 0.00 -2.24 -1.26 -1.76 114.28 102.27 1ncr n THR 96 Ca 0.06 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.54 1ncr n THR 96 Cb 0.32 -0.29 0.09 0.00 -2.10 0.00 0.00 70.33 68.34 1ncr n THR 96 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1ncr s THR 97 N -2.00 3.24 0.18 4.28 -4.23 -0.56 -4.71 115.64 111.84 1ncr s THR 97 Ca 0.26 0.40 -0.13 0.00 -1.18 0.00 0.00 61.69 61.04 1ncr s THR 97 Cb 0.12 -3.07 0.09 0.00 1.34 0.00 0.00 72.50 70.97 1ncr s THR 97 CO 0.20 -0.53 1.80 0.25 -0.54 0.00 0.00 174.62 175.80 1ncr h LEU 98 N -1.09 0.46 -1.03 4.79 5.85 -1.88 0.32 115.31 122.73 1ncr h LEU 98 Ca -0.46 0.02 -0.10 0.00 0.84 0.00 0.00 57.88 58.18 1ncr h LEU 98 Cb 1.25 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 42.20 1ncr h LEU 98 CO 0.57 0.32 -0.40 -0.29 -0.34 0.00 0.00 178.44 178.30 1ncr h ILE 99 N 0.59 1.30 -0.29 4.05 2.10 -1.89 -1.06 117.51 122.32 1ncr h ILE 99 Ca 0.23 -1.47 -0.19 0.00 1.08 0.00 0.00 64.86 64.51 1ncr h ILE 99 Cb 0.09 1.70 0.00 0.00 -1.09 0.00 0.00 36.82 37.52 1ncr h ILE 99 CO -0.13 0.43 -0.56 1.23 -1.08 0.00 0.00 178.15 178.04 1ncr h GLY 100 N 1.22 0.96 0.99 8.18 0.00 -1.48 -0.65 103.07 112.30 1ncr h GLY 100 Ca 0.01 -1.14 -0.06 0.00 0.00 0.00 0.00 47.33 46.15 1ncr h GLY 100 CO 0.06 1.02 0.09 0.83 0.00 0.00 0.00 176.54 178.54 1ncr h GLU 101 N 0.67 0.85 -0.36 4.80 4.39 0.43 -1.49 114.58 123.88 1ncr h GLU 101 Ca 0.01 -0.22 -0.14 0.00 0.34 0.00 0.00 59.36 59.35 1ncr h GLU 101 Cb 1.17 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 29.71 1ncr h GLU 101 CO 0.12 0.83 -0.33 0.82 -1.16 0.00 0.00 179.01 179.29 1ncr h ILE 102 N 0.74 1.28 -0.08 3.13 2.04 -1.17 -2.53 117.51 120.90 1ncr h ILE 102 Ca 0.16 -1.49 -0.02 0.00 1.00 0.00 0.00 64.86 64.50 1ncr h ILE 102 Cb 0.39 1.36 -0.01 0.00 -0.74 0.00 0.00 36.82 37.82 1ncr h ILE 102 CO 0.01 0.49 -0.06 0.00 0.00 0.00 0.00 178.15 178.59 1ncr h ALA 103 N 0.95 1.75 0.00 1.87 0.00 -0.89 -0.99 119.26 121.95 1ncr h ALA 103 Ca 0.07 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1ncr h ALA 103 Cb 0.88 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1ncr h ALA 103 CO 0.08 0.19 0.00 0.43 0.00 0.00 0.00 179.25 179.95 1ncr n SER 104 N -4.40 0.00 -1.10 0.00 7.64 -0.58 -1.73 113.62 113.45 1ncr n SER 104 Ca -0.02 -0.37 0.11 0.00 1.01 0.00 0.00 58.87 59.60 1ncr n SER 104 Cb 0.18 -0.10 0.22 0.00 -1.01 0.00 0.00 64.21 63.49 1ncr n SER 104 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1ncr n TYR 105 N -1.10 0.55 -4.20 1.43 4.01 -0.38 -3.86 117.16 113.60 1ncr n TYR 105 Ca 0.12 -0.30 -0.12 0.00 -0.16 0.00 0.00 57.90 57.44 1ncr n TYR 105 Cb 0.10 -0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.02 1ncr n TYR 105 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 1ncr s PHE 106 N -1.33 1.05 -0.11 -0.72 0.40 -0.71 -0.06 117.98 116.51 1ncr s PHE 106 Ca 0.38 -0.92 0.16 0.00 -0.60 0.00 0.00 56.93 55.94 1ncr s PHE 106 Cb 0.21 -0.59 -0.23 0.00 0.51 0.00 0.00 43.02 42.93 1ncr s PHE 106 CO 0.30 -0.13 0.45 2.41 0.70 0.00 0.00 175.22 178.95 1ncr n THR 107 N -0.13 1.39 -4.37 0.64 -1.04 0.48 -4.69 114.28 106.56 1ncr n THR 107 Ca -0.10 -0.79 -0.26 0.00 -2.04 0.00 0.00 64.05 60.86 1ncr n THR 107 Cb 0.61 -0.72 -0.12 0.00 -1.82 0.00 0.00 70.33 68.28 1ncr n THR 107 CO 0.00 0.00 0.00 -1.00 -0.64 0.00 0.00 175.07 173.43 1ncr s HIS 108 N -2.65 2.11 0.09 -1.42 3.76 -0.34 -0.99 115.29 115.83 1ncr s HIS 108 Ca -0.07 -0.40 -0.05 0.00 -0.15 0.00 0.00 55.06 54.40 1ncr s HIS 108 Cb 0.08 -1.09 -0.02 0.00 1.11 0.00 0.00 32.58 32.65 1ncr s HIS 108 CO 0.83 0.36 0.09 1.67 -0.85 0.00 0.00 174.74 176.84 1ncr s TRP 109 N -1.45 0.41 0.23 1.40 1.48 -0.28 -1.12 118.94 119.60 1ncr s TRP 109 Ca 0.15 -0.87 -0.22 0.00 -1.06 0.00 0.00 56.10 54.09 1ncr s TRP 109 Cb -0.09 -0.24 0.04 0.00 -1.16 0.00 0.00 33.47 32.02 1ncr s TRP 109 CO 0.07 -0.49 0.75 -0.08 -4.06 0.00 0.00 176.95 173.13 1ncr s THR 110 N -3.92 0.00 0.00 0.66 -1.32 -0.56 -1.19 115.64 109.31 1ncr s THR 110 Ca 0.09 -0.72 0.00 0.00 -1.21 0.00 0.00 61.69 59.85 1ncr s THR 110 Cb 0.06 -1.78 0.00 0.00 -1.51 0.00 0.00 72.50 69.27 1ncr s THR 110 CO -0.08 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 172.94 1ncr n GLY 111 N -0.44 1.44 3.85 6.08 0.00 -1.25 -1.32 105.19 113.55 1ncr n GLY 111 Ca -0.07 -2.07 -0.37 0.00 0.00 0.00 0.00 46.02 43.51 1ncr n GLY 111 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ncr s SER 112 N 0.00 6.76 -0.05 1.61 0.01 -1.26 -4.25 113.70 116.52 1ncr s SER 112 Ca 0.00 0.92 -0.03 0.00 1.31 0.00 0.00 55.95 58.15 1ncr s SER 112 Cb 0.00 -2.23 -0.04 0.00 0.21 0.00 0.00 66.02 63.96 1ncr s SER 112 CO 0.00 0.27 0.10 -0.76 0.41 0.00 0.00 173.24 173.26 1ncr s LEU 113 N -1.37 4.06 -0.32 2.44 1.43 -0.55 -0.78 118.68 123.59 1ncr s LEU 113 Ca 0.27 0.27 -0.04 0.00 -1.03 0.00 0.00 54.13 53.60 1ncr s LEU 113 Cb -0.16 -2.20 0.04 0.00 0.03 0.00 0.00 46.19 43.90 1ncr s LEU 113 CO 0.15 0.32 0.06 -0.60 0.23 0.00 0.00 176.35 176.51 1ncr s ARG 114 N -1.44 2.53 -0.21 1.70 3.52 0.48 -0.09 118.95 125.44 1ncr s ARG 114 Ca 0.20 -1.23 -0.08 0.00 -0.13 0.00 0.00 55.73 54.49 1ncr s ARG 114 Cb -0.12 -3.34 -0.04 0.00 -1.56 0.00 0.00 34.95 29.89 1ncr s ARG 114 CO 0.10 -0.65 0.08 -0.06 -0.81 0.00 0.00 175.30 173.96 1ncr s PHE 115 N 1.33 3.22 0.16 5.12 0.40 -0.42 -1.82 117.98 125.98 1ncr s PHE 115 Ca -0.03 0.00 0.10 0.00 -0.60 0.00 0.00 56.93 56.41 1ncr s PHE 115 Cb -0.20 -2.14 -0.04 0.00 0.51 0.00 0.00 43.02 41.15 1ncr s PHE 115 CO 0.01 0.03 -0.24 -1.12 0.70 0.00 0.00 175.22 174.61 1ncr s SER 116 N 0.75 3.18 -0.03 1.36 0.01 -0.51 0.04 113.70 118.49 1ncr s SER 116 Ca 0.04 -0.81 0.00 0.00 1.31 0.00 0.00 55.95 56.50 1ncr s SER 116 Cb -0.13 -0.22 0.03 0.00 0.21 0.00 0.00 66.02 65.91 1ncr s SER 116 CO 0.02 0.11 -0.01 -0.36 0.41 0.00 0.00 173.24 173.41 1ncr s PHE 117 N -1.47 0.39 -0.20 2.43 0.40 0.39 -0.00 117.98 119.92 1ncr s PHE 117 Ca 0.16 -0.04 -0.03 0.00 -0.60 0.00 0.00 56.93 56.42 1ncr s PHE 117 Cb -0.09 -0.46 -0.01 0.00 0.51 0.00 0.00 43.02 42.97 1ncr s PHE 117 CO 0.07 -0.15 -0.06 1.41 0.70 0.00 0.00 175.22 177.20 1ncr s MET 118 N 1.04 3.37 -0.05 0.44 1.75 -0.38 -1.11 119.30 124.36 1ncr s MET 118 Ca -0.09 -0.64 -0.30 0.00 -1.25 0.00 0.00 55.69 53.41 1ncr s MET 118 Cb -0.14 -2.93 -0.03 0.00 2.84 0.00 0.00 34.83 34.58 1ncr s MET 118 CO -0.01 -0.12 1.11 0.12 -0.65 0.00 0.00 175.02 175.46 1ncr s PHE 119 N 1.26 3.38 -2.52 4.11 5.36 -0.67 -1.43 117.98 127.47 1ncr s PHE 119 Ca 0.03 1.41 0.23 0.00 -0.96 0.00 0.00 56.93 57.64 1ncr s PHE 119 Cb -0.14 -3.31 0.38 0.00 -0.34 0.00 0.00 43.02 39.61 1ncr s PHE 119 CO -0.02 -0.80 1.37 0.00 -1.46 0.00 0.00 175.22 174.31 1ncr n GLY 121 N 1.46 -2.27 3.82 0.00 0.00 -1.25 -4.59 105.19 102.35 1ncr n GLY 121 Ca 0.18 -1.51 -0.30 0.00 0.00 0.00 0.00 46.02 44.39 1ncr n GLY 121 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ncr s THR 122 N -1.63 3.49 0.31 2.61 -4.23 -1.26 -4.93 115.64 109.99 1ncr s THR 122 Ca 0.21 0.49 0.37 0.00 -1.18 0.00 0.00 61.69 61.58 1ncr s THR 122 Cb -0.02 -3.26 0.39 0.00 1.34 0.00 0.00 72.50 70.95 1ncr s THR 122 CO 0.16 -0.63 2.13 0.00 -0.54 0.00 0.00 174.62 175.73 1ncr h ALA 123 N -0.89 1.00 -0.40 3.99 0.00 -2.00 -1.64 119.26 119.31 1ncr h ALA 123 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1ncr h ALA 123 Cb 1.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1ncr h ALA 123 CO 0.59 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.93 1ncr n ASN 124 N -2.95 3.18 -4.68 0.00 4.13 -1.26 -4.90 115.26 108.78 1ncr n ASN 124 Ca -0.01 -1.95 -0.38 0.00 1.68 0.00 0.00 54.58 53.92 1ncr n ASN 124 Cb 0.16 -0.26 -0.07 0.00 -1.54 0.00 0.00 39.78 38.07 1ncr n ASN 124 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 1ncr s THR 125 N -1.48 5.21 0.28 3.41 2.01 -0.62 -4.40 115.64 120.04 1ncr s THR 125 Ca 0.39 0.71 0.09 0.00 0.31 0.00 0.00 61.69 63.18 1ncr s THR 125 Cb 0.22 -3.73 -0.04 0.00 0.01 0.00 0.00 72.50 68.96 1ncr s THR 125 CO 0.30 0.28 0.07 0.42 -0.69 0.00 0.00 174.62 175.00 1ncr s THR 126 N 1.14 3.61 -0.27 -0.82 -4.23 -0.37 -4.85 115.64 109.85 1ncr s THR 126 Ca 0.19 -1.75 -0.27 0.00 -1.18 0.00 0.00 61.69 58.69 1ncr s THR 126 Cb -0.15 -3.00 0.17 0.00 1.34 0.00 0.00 72.50 70.86 1ncr s THR 126 CO 0.08 -0.33 1.28 -0.22 -0.54 0.00 0.00 174.62 174.88 1ncr s LEU 127 N -3.75 -0.17 -0.08 4.79 2.96 -1.26 -1.50 118.68 119.67 1ncr s LEU 127 Ca 0.33 0.26 0.02 0.00 -0.22 0.00 0.00 54.13 54.52 1ncr s LEU 127 Cb -0.06 1.35 0.01 0.00 0.50 0.00 0.00 46.19 48.00 1ncr s LEU 127 CO 0.22 -0.10 -0.13 -0.54 -1.32 0.00 0.00 176.35 174.48 1ncr s LYS 128 N -0.44 1.83 0.09 1.98 1.02 -1.25 -0.82 119.74 122.14 1ncr s LYS 128 Ca 0.06 -0.44 0.05 0.00 0.02 0.00 0.00 55.97 55.66 1ncr s LYS 128 Cb -0.03 -1.57 -0.03 0.00 -0.52 0.00 0.00 37.83 35.68 1ncr s LYS 128 CO -0.09 -0.03 -0.13 0.08 -0.92 0.00 0.00 175.35 174.26 1ncr s VAL 129 N 0.89 1.09 -0.23 3.17 1.01 -0.40 -0.94 120.40 124.99 1ncr s VAL 129 Ca -0.10 -1.45 -0.03 0.00 0.00 0.00 0.00 61.98 60.40 1ncr s VAL 129 Cb -0.15 -1.21 0.01 0.00 0.00 0.00 0.00 36.38 35.03 1ncr s VAL 129 CO 0.01 -0.35 -0.06 -0.22 0.00 0.00 0.00 175.10 174.48 1ncr s LEU 130 N -2.04 2.97 -0.25 3.92 0.20 0.15 0.07 118.68 123.71 1ncr s LEU 130 Ca 0.01 -0.63 -0.09 0.00 0.69 0.00 0.00 54.13 54.11 1ncr s LEU 130 Cb -0.07 -1.68 -0.04 0.00 -0.43 0.00 0.00 46.19 43.96 1ncr s LEU 130 CO 0.02 -0.07 0.12 -0.76 -0.29 0.00 0.00 176.35 175.37 1ncr s LEU 131 N 1.40 3.77 0.05 -0.68 1.43 -0.28 -0.75 118.68 123.62 1ncr s LEU 131 Ca 0.03 -0.06 0.07 0.00 -1.03 0.00 0.00 54.13 53.14 1ncr s LEU 131 Cb -0.15 -2.02 -0.03 0.00 0.03 0.00 0.00 46.19 44.03 1ncr s LEU 131 CO -0.05 0.01 -0.19 0.00 0.23 0.00 0.00 176.35 176.35 1ncr s ALA 132 N 1.38 1.60 -0.21 4.21 0.00 -0.27 -0.67 121.76 127.80 1ncr s ALA 132 Ca 0.06 -1.01 -0.03 0.00 0.00 0.00 0.00 51.96 50.98 1ncr s ALA 132 Cb -0.15 -0.29 -0.01 0.00 0.00 0.00 0.00 23.12 22.68 1ncr s ALA 132 CO 0.06 0.34 -0.07 -0.47 0.00 0.00 0.00 175.76 175.62 1ncr s TYR 133 N -0.85 2.93 -0.39 0.00 5.04 0.29 -1.14 117.35 123.23 1ncr s TYR 133 Ca 0.06 -1.01 -0.12 0.00 -2.44 0.00 0.00 57.07 53.56 1ncr s TYR 133 Cb -0.09 -2.07 0.03 0.00 0.35 0.00 0.00 41.96 40.18 1ncr s TYR 133 CO 0.02 -0.56 0.24 0.99 -1.34 0.00 0.00 175.55 174.90 1ncr s THR 134 N 1.40 4.78 0.77 4.34 2.01 0.37 -2.27 115.64 127.03 1ncr s THR 134 Ca 0.05 -0.83 -0.14 0.00 0.31 0.00 0.00 61.69 61.08 1ncr s THR 134 Cb -0.14 -3.68 0.06 0.00 0.01 0.00 0.00 72.50 68.75 1ncr s THR 134 CO -0.04 -0.27 1.22 -2.84 -0.69 0.00 0.00 174.62 171.99 1ncr s PRO 135 N 1.59 1.88 1.35 4.92 0.02 -1.26 -2.21 135.00 141.29 1ncr s PRO 135 Ca 0.03 1.79 -0.19 0.00 0.02 0.00 0.00 61.00 62.64 1ncr s PRO 135 Cb -0.19 -1.80 0.34 0.00 0.02 0.00 0.00 34.50 32.87 1ncr s PRO 135 CO 0.08 -2.04 0.96 -1.25 -0.33 0.00 0.00 177.00 174.41 1ncr s PRO 136 N -3.99 -2.36 0.00 5.54 0.04 -1.26 -4.45 135.00 128.51 1ncr s PRO 136 Ca 0.74 0.37 0.00 0.00 0.04 0.00 0.00 61.00 62.16 1ncr s PRO 136 Cb -0.30 -1.42 0.00 0.00 0.04 0.00 0.00 34.50 32.82 1ncr s PRO 136 CO 0.48 -4.56 0.00 0.41 0.04 0.00 0.00 177.00 173.37 1ncr n GLY 137 N 1.27 0.78 3.47 0.56 0.00 -1.26 -5.04 105.19 104.97 1ncr n GLY 137 Ca 0.09 -0.13 -0.14 0.00 0.00 0.00 0.00 46.02 45.84 1ncr n GLY 137 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1ncr s ILE 138 N -2.00 0.00 0.90 -0.61 2.07 -1.26 -5.17 121.20 115.13 1ncr s ILE 138 Ca 0.00 0.00 -0.12 0.00 -1.41 0.00 0.00 60.65 59.12 1ncr s ILE 138 Cb 0.00 -1.00 0.13 0.00 0.13 0.00 0.00 42.46 41.72 1ncr s ILE 138 CO 0.00 0.00 1.12 -0.83 -1.91 0.00 0.00 174.94 173.32 1ncr s GLY 139 N -2.12 1.59 0.50 1.50 0.00 -1.26 -4.97 107.32 102.56 1ncr s GLY 139 Ca -0.03 -0.39 -0.23 0.00 0.00 0.00 0.00 44.72 44.07 1ncr s GLY 139 CO -0.04 0.14 1.31 -1.59 0.00 0.00 0.00 173.10 172.93 1ncr s LYS 140 N -5.17 3.41 0.36 2.90 -2.85 -1.26 -4.90 119.74 112.23 1ncr s LYS 140 Ca 0.63 2.14 -0.28 0.00 -1.00 0.00 0.00 55.97 57.46 1ncr s LYS 140 Cb -0.16 -2.37 -0.11 0.00 -2.06 0.00 0.00 37.83 33.13 1ncr s LYS 140 CO 0.55 -0.95 1.52 -1.25 0.10 0.00 0.00 175.35 175.32 1ncr s PRO 141 N -2.76 4.10 0.00 1.78 0.04 -1.26 -4.91 135.00 131.99 1ncr s PRO 141 Ca 0.67 2.60 0.26 0.00 0.04 0.00 0.00 61.00 64.57 1ncr s PRO 141 Cb -0.38 -2.97 0.61 0.00 0.04 0.00 0.00 34.50 31.80 1ncr s PRO 141 CO 0.46 -0.58 1.49 0.54 0.04 0.00 0.00 177.00 178.95 1ncr n ARG 142 N 0.80 1.89 -3.73 4.56 1.74 -1.26 -4.90 116.66 115.76 1ncr n ARG 142 Ca 0.03 -1.36 -0.09 0.00 -0.77 0.00 0.00 57.85 55.65 1ncr n ARG 142 Cb 0.39 -1.47 -0.03 0.00 -1.02 0.00 0.00 32.46 30.32 1ncr n ARG 142 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1ncr s SER 143 N -2.05 -0.29 0.19 0.55 1.04 -1.26 -5.02 113.70 106.86 1ncr s SER 143 Ca 0.32 -0.46 -0.11 0.00 0.48 0.00 0.00 55.95 56.18 1ncr s SER 143 Cb 0.20 0.61 0.11 0.00 0.10 0.00 0.00 66.02 67.04 1ncr s SER 143 CO 0.34 -1.10 1.76 -0.09 0.98 0.00 0.00 173.24 175.14 1ncr h ARG 144 N 2.14 0.98 -0.89 4.02 2.43 -1.93 -1.09 114.38 120.04 1ncr h ARG 144 Ca -0.28 -0.16 0.04 0.00 -0.81 0.00 0.00 59.98 58.77 1ncr h ARG 144 Cb 1.27 -0.17 -0.05 0.00 -0.42 0.00 0.00 29.97 30.59 1ncr h ARG 144 CO 0.35 0.80 0.58 -0.22 -1.51 0.00 0.00 179.97 179.96 1ncr h LYS 145 N 0.93 1.08 -0.54 0.20 3.64 -1.96 0.27 116.57 120.19 1ncr h LYS 145 Ca 0.23 -0.06 -0.11 0.00 -1.27 0.00 0.00 60.65 59.43 1ncr h LYS 145 Cb 0.16 -0.24 -0.02 0.00 -0.41 0.00 0.00 32.23 31.72 1ncr h LYS 145 CO -0.02 0.71 -0.11 1.49 -2.27 0.00 0.00 179.45 179.25 1ncr h GLU 146 N 1.11 1.02 -0.12 1.90 4.81 -1.83 -3.22 114.58 118.25 1ncr h GLU 146 Ca 0.36 -0.37 -0.08 0.00 -0.13 0.00 0.00 59.36 59.14 1ncr h GLU 146 Cb 0.02 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.34 1ncr h GLU 146 CO -0.12 1.06 -0.22 0.00 -0.73 0.00 0.00 179.01 178.99 1ncr h ALA 147 N 0.96 0.18 -0.29 2.92 0.00 -0.50 -3.23 119.26 119.31 1ncr h ALA 147 Ca 0.14 -0.38 0.08 0.00 0.00 0.00 0.00 54.91 54.76 1ncr h ALA 147 Cb 0.67 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1ncr h ALA 147 CO 0.05 0.14 0.49 1.98 0.00 0.00 0.00 179.25 181.91 1ncr h MET 148 N -0.07 0.00 0.00 0.00 1.85 -0.51 -0.32 114.93 115.88 1ncr h MET 148 Ca 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.09 1ncr h MET 148 Cb 0.81 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.84 1ncr h MET 148 CO 0.05 0.00 0.00 1.28 -0.40 0.00 0.00 176.91 177.84 1ncr n LEU 149 N -3.32 0.51 0.00 3.39 4.77 -1.22 -4.77 117.00 116.37 1ncr n LEU 149 Ca 0.05 0.61 0.00 0.00 -0.03 0.00 0.00 56.01 56.64 1ncr n LEU 149 Cb 0.62 -0.52 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 1ncr n LEU 149 CO 0.21 -0.41 0.00 0.61 -1.33 0.00 0.00 177.39 176.47 1ncr n GLY 150 N 0.27 1.85 3.71 -0.72 0.00 -0.13 -5.04 105.19 105.13 1ncr n GLY 150 Ca 0.03 -2.04 -0.42 0.00 0.00 0.00 0.00 46.02 43.59 1ncr n GLY 150 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ncr s THR 151 N 1.83 3.51 0.22 2.61 2.01 -0.96 -4.87 115.64 120.00 1ncr s THR 151 Ca 0.00 1.04 -0.18 0.00 0.31 0.00 0.00 61.69 62.86 1ncr s THR 151 Cb 0.00 -3.67 0.02 0.00 0.01 0.00 0.00 72.50 68.87 1ncr s THR 151 CO 0.00 0.05 0.57 -1.38 -0.69 0.00 0.00 174.62 173.18 1ncr s HIS 152 N 1.53 -0.09 -0.03 4.92 -0.00 -1.26 0.11 115.29 120.46 1ncr s HIS 152 Ca 0.64 -0.28 0.01 0.00 -0.00 0.00 0.00 55.06 55.44 1ncr s HIS 152 Cb -0.34 0.45 0.01 0.00 -0.00 0.00 0.00 32.58 32.70 1ncr s HIS 152 CO 0.29 -1.01 -0.06 0.08 -0.00 0.00 0.00 174.74 174.05 1ncr s VAL 153 N -3.90 0.57 -0.31 -5.38 1.01 0.15 -5.00 120.40 107.54 1ncr s VAL 153 Ca 0.11 -0.19 -0.14 0.00 0.00 0.00 0.00 61.98 61.76 1ncr s VAL 153 Cb -0.02 -0.56 -0.03 0.00 0.00 0.00 0.00 36.38 35.77 1ncr s VAL 153 CO 0.01 0.21 0.31 -0.69 0.00 0.00 0.00 175.10 174.94 1ncr s VAL 154 N 0.59 5.22 -0.25 2.92 1.01 -1.26 -1.12 120.40 127.50 1ncr s VAL 154 Ca -0.08 0.15 -0.13 0.00 0.00 0.00 0.00 61.98 61.91 1ncr s VAL 154 Cb -0.11 -3.72 -0.04 0.00 0.00 0.00 0.00 36.38 32.50 1ncr s VAL 154 CO 0.00 0.04 0.28 0.86 0.00 0.00 0.00 175.10 176.28 1ncr s TRP 155 N 1.93 3.28 -0.26 5.22 -0.00 0.11 -4.95 118.94 124.27 1ncr s TRP 155 Ca 0.11 0.32 -0.08 0.00 -0.00 0.00 0.00 56.10 56.45 1ncr s TRP 155 Cb -0.16 -2.44 -0.03 0.00 -0.00 0.00 0.00 33.47 30.83 1ncr s TRP 155 CO 0.11 -0.10 0.10 0.34 -0.00 0.00 0.00 176.95 177.40 1ncr s ASP 156 N 1.43 5.39 0.03 5.86 2.15 -1.26 -1.27 116.67 129.00 1ncr s ASP 156 Ca 0.12 -0.14 -0.30 0.00 0.43 0.00 0.00 52.55 52.65 1ncr s ASP 156 Cb -0.15 -1.98 -0.05 0.00 -0.30 0.00 0.00 42.92 40.44 1ncr s ASP 156 CO 0.09 -0.03 1.21 -0.69 -0.17 0.00 0.00 175.17 175.57 1ncr s VAL 157 N 1.62 4.06 0.00 1.11 1.01 -0.00 -4.95 120.40 123.24 1ncr s VAL 157 Ca 0.06 1.46 0.00 0.00 0.00 0.00 0.00 61.98 63.51 1ncr s VAL 157 Cb -0.15 -3.94 0.00 0.00 0.00 0.00 0.00 36.38 32.29 1ncr s VAL 157 CO 0.06 0.08 0.00 0.61 0.00 0.00 0.00 175.10 175.85 1ncr n GLY 158 N 3.27 3.53 0.32 4.51 0.00 -1.26 -4.56 105.19 111.00 1ncr n GLY 158 Ca 0.10 -0.46 0.04 0.00 0.00 0.00 0.00 46.02 45.70 1ncr n GLY 158 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1ncr h LEU 159 N 0.00 0.71 -8.84 0.99 3.38 -1.97 -3.35 115.31 106.24 1ncr h LEU 159 Ca 0.00 0.05 -0.59 0.00 0.09 0.00 0.00 57.88 57.43 1ncr h LEU 159 Cb 0.00 -0.08 -0.09 0.00 0.09 0.00 0.00 40.66 40.58 1ncr h LEU 159 CO 0.00 0.39 0.62 -1.10 0.09 0.00 0.00 178.44 178.43 1ncr s GLN 160 N -6.01 3.84 0.38 1.13 -0.21 -1.26 -4.92 119.66 112.62 1ncr s GLN 160 Ca -0.12 0.59 0.16 0.00 0.02 0.00 0.00 55.36 56.01 1ncr s GLN 160 Cb 0.20 -3.80 0.77 0.00 1.00 0.00 0.00 33.01 31.18 1ncr s GLN 160 CO 0.79 -0.96 1.81 0.66 -2.12 0.00 0.00 175.29 175.46 1ncr h SER 161 N 8.48 0.00 -3.54 5.90 4.64 -1.92 -3.46 113.55 123.65 1ncr h SER 161 Ca -0.23 0.00 -0.67 0.00 -0.47 0.00 0.00 61.79 60.42 1ncr h SER 161 Cb 1.08 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 63.01 1ncr h SER 161 CO 0.99 0.37 -0.70 -0.89 -0.87 0.00 0.00 176.83 175.73 1ncr s THR 162 N -3.94 3.71 0.15 2.95 2.01 -1.26 -1.67 115.64 117.58 1ncr s THR 162 Ca -0.02 -0.85 0.07 0.00 0.31 0.00 0.00 61.69 61.20 1ncr s THR 162 Cb 0.13 -2.65 -0.04 0.00 0.01 0.00 0.00 72.50 69.94 1ncr s THR 162 CO 0.70 0.32 -0.15 0.54 -0.69 0.00 0.00 174.62 175.34 1ncr s VAL 163 N -1.08 1.49 -0.02 3.82 0.11 -0.26 -4.95 120.40 119.51 1ncr s VAL 163 Ca 0.19 -1.87 0.04 0.00 -2.93 0.00 0.00 61.98 57.40 1ncr s VAL 163 Cb -0.11 -1.71 -0.01 0.00 -1.53 0.00 0.00 36.38 33.02 1ncr s VAL 163 CO 0.10 -0.46 -0.13 -0.44 -3.33 0.00 0.00 175.10 170.85 1ncr s SER 164 N -2.71 1.52 -0.13 3.54 0.01 -1.26 -0.46 113.70 114.20 1ncr s SER 164 Ca 0.13 -0.24 0.02 0.00 1.31 0.00 0.00 55.95 57.18 1ncr s SER 164 Cb -0.04 -0.23 0.00 0.00 0.21 0.00 0.00 66.02 65.97 1ncr s SER 164 CO 0.04 0.14 -0.21 -0.22 0.41 0.00 0.00 173.24 173.41 1ncr s LEU 165 N -0.20 2.21 -0.17 2.44 2.96 0.11 -4.98 118.68 121.05 1ncr s LEU 165 Ca 0.03 -0.56 -0.11 0.00 -0.22 0.00 0.00 54.13 53.27 1ncr s LEU 165 Cb -0.06 -1.47 -0.05 0.00 0.50 0.00 0.00 46.19 45.11 1ncr s LEU 165 CO -0.00 0.10 0.20 -0.69 -1.32 0.00 0.00 176.35 174.64 1ncr s VAL 166 N 0.69 5.37 -0.62 1.68 1.01 -1.26 -1.30 120.40 125.96 1ncr s VAL 166 Ca -0.10 0.35 -0.17 0.00 0.00 0.00 0.00 61.98 62.07 1ncr s VAL 166 Cb -0.16 -3.53 0.14 0.00 0.00 0.00 0.00 36.38 32.83 1ncr s VAL 166 CO 0.01 0.45 0.64 -0.69 0.00 0.00 0.00 175.10 175.51 1ncr s VAL 167 N 0.15 5.14 0.63 2.92 1.01 0.87 -4.96 120.40 126.15 1ncr s VAL 167 Ca 0.13 -1.51 -0.18 0.00 0.00 0.00 0.00 61.98 60.41 1ncr s VAL 167 Cb -0.12 -4.43 -0.02 0.00 0.00 0.00 0.00 36.38 31.81 1ncr s VAL 167 CO 0.02 -1.01 1.26 -2.84 0.00 0.00 0.00 175.10 172.53 1ncr s PRO 168 N 1.74 2.67 -0.58 2.72 0.02 -1.26 -1.49 135.00 138.82 1ncr s PRO 168 Ca 0.10 1.97 -0.27 0.00 0.02 0.00 0.00 61.00 62.81 1ncr s PRO 168 Cb -0.24 -1.87 -0.00 0.00 0.02 0.00 0.00 34.50 32.41 1ncr s PRO 168 CO 0.01 -1.48 1.60 -0.46 -0.33 0.00 0.00 177.00 176.34 1ncr s TRP 169 N -1.49 2.00 -0.40 6.54 -0.11 -1.26 -4.88 118.94 119.34 1ncr s TRP 169 Ca 0.80 0.54 0.03 0.00 1.22 0.00 0.00 56.10 58.69 1ncr s TRP 169 Cb -0.35 -4.28 0.11 0.00 -1.50 0.00 0.00 33.47 27.45 1ncr s TRP 169 CO 0.38 -2.22 0.13 0.42 -4.62 0.00 0.00 176.95 171.04 1ncr s ILE 170 N 7.21 2.18 0.05 5.86 1.01 -1.26 -5.01 121.20 131.25 1ncr s ILE 170 Ca 0.58 -2.58 -0.06 0.00 0.00 0.00 0.00 60.65 58.60 1ncr s ILE 170 Cb -0.12 -2.58 -0.01 0.00 0.01 0.00 0.00 42.46 39.75 1ncr s ILE 170 CO 0.23 -0.69 0.10 -0.55 0.00 0.00 0.00 174.94 174.03 1ncr s SER 171 N 0.56 0.20 -0.01 3.58 0.15 -1.26 -4.84 113.70 112.08 1ncr s SER 171 Ca 0.13 -0.62 -0.23 0.00 0.70 0.00 0.00 55.95 55.94 1ncr s SER 171 Cb -0.21 0.25 -0.20 0.00 -1.71 0.00 0.00 66.02 64.15 1ncr s SER 171 CO -0.07 -0.57 1.17 0.00 1.20 0.00 0.00 173.24 174.97 1ncr h ALA 172 N 3.37 0.10 -2.45 5.45 0.00 -1.98 -3.45 119.26 120.29 1ncr h ALA 172 Ca -0.33 -0.40 -0.52 0.00 0.00 0.00 0.00 54.91 53.66 1ncr h ALA 172 Cb 1.18 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 1ncr h ALA 172 CO 0.54 0.07 -0.23 -1.54 0.00 0.00 0.00 179.25 178.09 1ncr s SER 173 N -6.20 6.41 0.53 0.00 1.04 -1.26 -5.00 113.70 109.21 1ncr s SER 173 Ca -0.15 0.56 0.24 0.00 0.48 0.00 0.00 55.95 57.07 1ncr s SER 173 Cb 0.03 -2.08 1.44 0.00 0.10 0.00 0.00 66.02 65.51 1ncr s SER 173 CO 0.74 -0.14 2.12 -0.61 0.98 0.00 0.00 173.24 176.34 1ncr h GLN 174 N 1.74 0.00 -4.85 4.02 5.75 -1.98 -3.44 115.11 116.35 1ncr h GLN 174 Ca -0.48 0.00 -0.34 0.00 -0.15 0.00 0.00 58.65 57.68 1ncr h GLN 174 Cb 1.19 0.00 -0.14 0.00 1.07 0.00 0.00 27.48 29.60 1ncr h GLN 174 CO 0.66 0.08 -0.61 0.71 -2.65 0.00 0.00 178.83 177.03 1ncr s TYR 175 N -4.55 1.50 0.13 3.99 1.51 -1.26 -4.71 117.35 113.95 1ncr s TYR 175 Ca -0.04 -1.22 0.01 0.00 -1.01 0.00 0.00 57.07 54.81 1ncr s TYR 175 Cb 0.15 -0.86 -0.04 0.00 -0.11 0.00 0.00 41.96 41.10 1ncr s TYR 175 CO 0.61 -0.39 -0.00 1.03 -1.11 0.00 0.00 175.55 175.69 1ncr s ARG 176 N -4.03 0.96 0.30 -0.62 0.52 -0.34 -4.95 118.95 110.79 1ncr s ARG 176 Ca 0.38 -1.44 -0.25 0.00 -0.52 0.00 0.00 55.73 53.90 1ncr s ARG 176 Cb 0.07 -0.08 -0.10 0.00 0.52 0.00 0.00 34.95 35.37 1ncr s ARG 176 CO 0.14 -0.14 0.91 -0.06 0.02 0.00 0.00 175.30 176.17 1ncr s PHE 177 N -3.78 3.71 0.14 -0.53 0.08 -1.26 -1.12 117.98 115.22 1ncr s PHE 177 Ca 0.20 1.73 0.01 0.00 0.12 0.00 0.00 56.93 58.99 1ncr s PHE 177 Cb 0.06 -2.88 -0.10 0.00 -0.57 0.00 0.00 43.02 39.53 1ncr s PHE 177 CO 0.00 0.25 1.31 1.79 -0.10 0.00 0.00 175.22 178.47 1ncr h THR 178 N 2.68 1.52 -3.95 0.64 1.35 -1.34 -3.45 112.91 110.37 1ncr h THR 178 Ca -0.47 -2.82 -0.49 0.00 -0.55 0.00 0.00 66.41 62.09 1ncr h THR 178 Cb 1.19 2.62 0.02 0.00 -1.73 0.00 0.00 68.15 70.26 1ncr h THR 178 CO 0.65 0.82 0.43 0.28 -0.25 0.00 0.00 175.52 177.45 1ncr s THR 179 N -3.02 3.62 -0.77 6.82 -1.32 -1.26 -4.24 115.64 115.47 1ncr s THR 179 Ca -0.03 1.29 -0.24 0.00 -1.21 0.00 0.00 61.69 61.50 1ncr s THR 179 Cb 0.09 -3.69 -0.17 0.00 -1.51 0.00 0.00 72.50 67.23 1ncr s THR 179 CO 0.84 0.05 2.41 -2.65 -2.21 0.00 0.00 174.62 173.07 1ncr n PRO 180 N 0.05 0.52 -4.64 7.08 -0.02 -1.26 -4.91 135.00 131.83 1ncr n PRO 180 Ca 0.04 -0.32 -0.30 0.00 -2.02 0.00 0.00 63.50 60.91 1ncr n PRO 180 Cb 0.49 -2.82 -0.17 0.00 -0.02 0.00 0.00 33.50 30.99 1ncr n PRO 180 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1ncr s ASP 181 N 9.11 2.73 0.04 2.55 2.15 -1.26 -5.07 116.67 126.91 1ncr s ASP 181 Ca 1.08 -0.50 -0.08 0.00 0.43 0.00 0.00 52.55 53.48 1ncr s ASP 181 Cb -0.44 -1.24 -0.02 0.00 -0.30 0.00 0.00 42.92 40.91 1ncr s ASP 181 CO 0.28 0.06 1.14 0.74 -0.17 0.00 0.00 175.17 177.22 1ncr h THR 182 N 5.88 0.00 -0.99 1.71 2.02 -1.98 -1.98 112.91 117.56 1ncr h THR 182 Ca -0.30 0.00 0.37 0.00 0.77 0.00 0.00 66.41 67.25 1ncr h THR 182 Cb 1.19 0.00 -0.17 0.00 -1.74 0.00 0.00 68.15 67.42 1ncr h THR 182 CO 0.51 0.00 0.43 0.22 0.37 0.00 0.00 175.52 177.05 1ncr h TYR 183 N -0.06 0.65 -0.50 3.16 3.20 -2.00 -1.09 116.97 120.33 1ncr h TYR 183 Ca 0.03 0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.94 1ncr h TYR 183 Cb 0.13 -0.12 0.00 0.00 1.54 0.00 0.00 36.73 38.28 1ncr h TYR 183 CO -0.78 -0.41 0.00 -1.13 -1.64 0.00 0.00 178.16 174.20 1ncr n SER 184 N -5.27 4.94 -4.68 -2.11 3.41 -0.80 -4.96 113.62 104.15 1ncr n SER 184 Ca 0.33 -2.82 -0.42 0.00 -0.26 0.00 0.00 58.87 55.70 1ncr n SER 184 Cb 1.11 -0.61 -0.03 0.00 -0.26 0.00 0.00 64.21 64.43 1ncr n SER 184 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1ncr s SER 185 N -1.13 6.70 0.00 4.04 1.04 -0.42 -4.71 113.70 119.23 1ncr s SER 185 Ca 0.49 2.27 0.30 0.00 0.48 0.00 0.00 55.95 59.49 1ncr s SER 185 Cb 0.37 -2.55 1.43 0.00 0.10 0.00 0.00 66.02 65.37 1ncr s SER 185 CO 0.16 -0.86 1.99 0.00 0.98 0.00 0.00 173.24 175.51 1ncr n ALA 186 N 6.20 2.62 0.00 5.32 0.00 -1.26 -4.72 120.51 128.67 1ncr n ALA 186 Ca 0.16 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1ncr n ALA 186 Cb 0.42 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.45 1ncr n ALA 186 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ncr n GLY 187 N 1.26 0.35 3.19 0.00 0.00 -1.26 -4.00 105.19 104.74 1ncr n GLY 187 Ca 0.15 -2.30 -0.12 0.00 0.00 0.00 0.00 46.02 43.76 1ncr n GLY 187 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ncr s TYR 188 N 0.00 1.00 -0.15 1.61 2.02 -0.94 -1.17 117.35 119.72 1ncr s TYR 188 Ca 0.00 -0.88 0.01 0.00 -0.37 0.00 0.00 57.07 55.83 1ncr s TYR 188 Cb 0.00 -0.56 0.02 0.00 -0.40 0.00 0.00 41.96 41.02 1ncr s TYR 188 CO 0.00 -0.10 -0.18 0.42 -1.57 0.00 0.00 175.55 174.13 1ncr s ILE 189 N -3.55 1.80 0.24 2.71 1.01 -0.61 -0.48 121.20 122.32 1ncr s ILE 189 Ca 0.14 -0.79 0.10 0.00 0.00 0.00 0.00 60.65 60.10 1ncr s ILE 189 Cb 0.05 -1.64 -0.05 0.00 0.01 0.00 0.00 42.46 40.82 1ncr s ILE 189 CO -0.03 0.50 -0.19 0.42 0.00 0.00 0.00 174.94 175.64 1ncr s THR 190 N 1.23 2.20 -0.04 2.92 -4.23 -0.29 -2.05 115.64 115.37 1ncr s THR 190 Ca 0.01 -2.28 0.02 0.00 -1.18 0.00 0.00 61.69 58.26 1ncr s THR 190 Cb -0.14 -2.17 0.02 0.00 1.34 0.00 0.00 72.50 71.55 1ncr s THR 190 CO -0.09 -0.43 -0.07 0.00 -0.54 0.00 0.00 174.62 173.49 1ncr s TRP 192 N 0.66 1.03 -0.12 0.00 0.52 0.07 0.55 118.94 121.64 1ncr s TRP 192 Ca -0.10 -0.67 -0.29 0.00 0.02 0.00 0.00 56.10 55.06 1ncr s TRP 192 Cb -0.13 -0.57 -0.03 0.00 -1.15 0.00 0.00 33.47 31.59 1ncr s TRP 192 CO 0.01 -0.02 1.38 0.71 0.02 0.00 0.00 176.95 179.06 1ncr s TYR 193 N -2.47 2.60 -0.13 -1.98 2.02 -0.77 0.32 117.35 116.93 1ncr s TYR 193 Ca 0.05 0.77 -0.28 0.00 -0.37 0.00 0.00 57.07 57.23 1ncr s TYR 193 Cb -0.03 -3.63 -0.26 0.00 -0.40 0.00 0.00 41.96 37.64 1ncr s TYR 193 CO -0.00 -2.35 0.78 0.37 -1.57 0.00 0.00 175.55 172.77 1ncr h GLN 194 N 8.56 0.02 0.00 -0.62 5.75 -1.32 -3.35 115.11 124.16 1ncr h GLN 194 Ca -0.31 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.15 1ncr h GLN 194 Cb 1.13 0.02 0.00 0.00 1.07 0.00 0.00 27.48 29.69 1ncr h GLN 194 CO 0.96 1.02 0.00 0.25 -2.65 0.00 0.00 178.83 178.41 1ncr n THR 195 N -4.57 0.00 -3.66 2.39 -2.24 -1.03 -4.84 114.28 100.34 1ncr n THR 195 Ca -0.10 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.63 1ncr n THR 195 Cb 0.51 -0.01 -0.01 0.00 -2.10 0.00 0.00 70.33 68.72 1ncr n THR 195 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1ncr s ASN 196 N 0.93 -0.22 -0.29 3.42 2.47 -1.26 -4.71 114.94 115.29 1ncr s ASN 196 Ca 0.00 -0.24 -0.23 0.00 0.42 0.00 0.00 52.86 52.81 1ncr s ASN 196 Cb 0.00 0.41 -0.00 0.00 -1.45 0.00 0.00 41.25 40.21 1ncr s ASN 196 CO 0.00 -0.73 0.75 0.12 -3.72 0.00 0.00 177.10 173.52 1ncr s PHE 197 N -3.11 3.23 -0.02 0.43 2.19 -1.26 -3.93 117.98 115.51 1ncr s PHE 197 Ca 0.10 0.82 0.05 0.00 0.33 0.00 0.00 56.93 58.23 1ncr s PHE 197 Cb -0.01 -3.11 -0.01 0.00 -1.31 0.00 0.00 43.02 38.59 1ncr s PHE 197 CO -0.02 -0.49 -0.17 0.08 1.83 0.00 0.00 175.22 176.45 1ncr s VAL 198 N 2.82 1.36 0.06 3.12 1.01 -0.56 -4.12 120.40 124.08 1ncr s VAL 198 Ca 0.31 -0.71 -0.00 0.00 0.00 0.00 0.00 61.98 61.57 1ncr s VAL 198 Cb -0.15 -1.14 -0.04 0.00 0.00 0.00 0.00 36.38 35.05 1ncr s VAL 198 CO 0.11 0.39 -0.04 0.68 0.00 0.00 0.00 175.10 176.24 1ncr s VAL 199 N -0.24 0.32 0.93 2.92 -7.23 -1.26 -1.23 120.40 114.60 1ncr s VAL 199 Ca 0.03 -1.71 -0.14 0.00 -1.81 0.00 0.00 61.98 58.35 1ncr s VAL 199 Cb -0.08 -1.38 0.18 0.00 0.56 0.00 0.00 36.38 35.66 1ncr s VAL 199 CO 0.00 -0.89 1.28 -2.84 -0.31 0.00 0.00 175.10 172.34 1ncr s PRO 200 N -3.54 0.87 0.93 4.82 0.02 -1.26 -5.02 135.00 131.81 1ncr s PRO 200 Ca 0.05 -0.40 -0.11 0.00 0.02 0.00 0.00 61.00 60.55 1ncr s PRO 200 Cb 0.05 -1.90 0.15 0.00 0.02 0.00 0.00 34.50 32.82 1ncr s PRO 200 CO -0.07 -2.25 1.09 -1.25 -0.33 0.00 0.00 177.00 174.19 1ncr s PRO 201 N -5.80 1.00 -1.46 5.54 0.04 -1.26 -3.67 135.00 129.40 1ncr s PRO 201 Ca 0.72 0.94 -0.10 0.00 0.04 0.00 0.00 61.00 62.60 1ncr s PRO 201 Cb -0.05 -1.77 0.05 0.00 0.04 0.00 0.00 34.50 32.78 1ncr s PRO 201 CO 0.52 -2.45 0.83 0.09 0.04 0.00 0.00 177.00 176.03 1ncr n ASN 202 N -4.04 -5.17 -4.02 6.66 3.02 -1.26 -4.99 115.26 105.46 1ncr n ASN 202 Ca 0.07 -0.54 -0.20 0.00 -0.03 0.00 0.00 54.58 53.88 1ncr n ASN 202 Cb 0.55 -4.15 -0.15 0.00 -0.61 0.00 0.00 39.78 35.41 1ncr n ASN 202 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1ncr s THR 203 N -3.20 0.76 0.16 3.41 2.01 -1.24 -5.11 115.64 112.44 1ncr s THR 203 Ca 0.52 -0.38 -0.33 0.00 0.31 0.00 0.00 61.69 61.80 1ncr s THR 203 Cb -0.25 -0.65 -0.16 0.00 0.01 0.00 0.00 72.50 71.45 1ncr s THR 203 CO 0.64 0.23 1.22 -0.81 -0.69 0.00 0.00 174.62 175.21 1ncr n PRO 204 N 3.04 1.25 -0.11 4.92 -0.04 -1.26 -4.86 135.00 137.94 1ncr n PRO 204 Ca -0.15 0.45 0.02 0.00 -0.04 0.00 0.00 63.50 63.77 1ncr n PRO 204 Cb 0.56 -1.99 0.06 0.00 -0.04 0.00 0.00 33.50 32.09 1ncr n PRO 204 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1ncr n ASN 205 N 2.15 1.25 -3.83 3.54 3.02 -1.26 -4.82 115.26 115.32 1ncr n ASN 205 Ca 0.15 -2.08 -0.09 0.00 -0.03 0.00 0.00 54.58 52.53 1ncr n ASN 205 Cb 0.24 -0.32 -0.06 0.00 -0.61 0.00 0.00 39.78 39.03 1ncr n ASN 205 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1ncr s THR 206 N -1.55 0.11 0.02 3.41 -4.23 -1.26 -4.17 115.64 107.97 1ncr s THR 206 Ca 0.09 -1.08 -0.22 0.00 -1.18 0.00 0.00 61.69 59.30 1ncr s THR 206 Cb 0.06 -1.42 0.05 0.00 1.34 0.00 0.00 72.50 72.53 1ncr s THR 206 CO 0.04 -0.49 0.50 0.00 -0.54 0.00 0.00 174.62 174.14 1ncr s ALA 207 N -3.87 -1.28 0.31 3.99 0.00 -0.52 -4.94 121.76 115.44 1ncr s ALA 207 Ca 0.07 0.63 0.05 0.00 0.00 0.00 0.00 51.96 52.71 1ncr s ALA 207 Cb 0.04 0.28 -0.02 0.00 0.00 0.00 0.00 23.12 23.42 1ncr s ALA 207 CO -0.09 -0.45 0.45 -1.21 0.00 0.00 0.00 175.76 174.47 1ncr s GLU 208 N -2.13 3.27 -0.01 0.00 0.41 -1.26 -0.30 118.70 118.67 1ncr s GLU 208 Ca -0.07 -0.81 0.00 0.00 -0.41 0.00 0.00 54.97 53.68 1ncr s GLU 208 Cb -0.01 -2.81 0.02 0.00 -1.78 0.00 0.00 34.13 29.54 1ncr s GLU 208 CO 0.01 0.18 0.01 1.41 -0.49 0.00 0.00 175.26 176.37 1ncr s MET 209 N -4.15 0.08 -0.06 1.61 -2.45 -0.40 -0.46 119.30 113.48 1ncr s MET 209 Ca 0.41 0.06 -0.02 0.00 -1.25 0.00 0.00 55.69 54.89 1ncr s MET 209 Cb -0.09 -0.22 -0.04 0.00 1.25 0.00 0.00 34.83 35.73 1ncr s MET 209 CO 0.31 -0.08 0.06 -0.51 1.05 0.00 0.00 175.02 175.86 1ncr s LEU 210 N 0.56 3.89 -0.13 4.11 1.43 -0.51 -1.73 118.68 126.29 1ncr s LEU 210 Ca -0.05 0.21 0.02 0.00 -1.03 0.00 0.00 54.13 53.28 1ncr s LEU 210 Cb -0.07 -2.07 -0.00 0.00 0.03 0.00 0.00 46.19 44.08 1ncr s LEU 210 CO -0.01 0.34 -0.19 0.00 0.23 0.00 0.00 176.35 176.72 1ncr s PHE 212 N 0.60 2.55 -0.05 0.00 0.40 0.99 -0.37 117.98 122.10 1ncr s PHE 212 Ca -0.11 -0.38 -0.17 0.00 -0.60 0.00 0.00 56.93 55.67 1ncr s PHE 212 Cb -0.16 -1.37 0.03 0.00 0.51 0.00 0.00 43.02 42.04 1ncr s PHE 212 CO 0.03 0.54 0.39 0.54 0.70 0.00 0.00 175.22 177.42 1ncr s VAL 213 N -2.48 0.03 0.14 -0.44 0.11 -0.93 -1.43 120.40 115.40 1ncr s VAL 213 Ca 0.34 -0.29 -0.25 0.00 -2.93 0.00 0.00 61.98 58.84 1ncr s VAL 213 Cb -0.02 -0.67 0.07 0.00 -1.53 0.00 0.00 36.38 34.23 1ncr s VAL 213 CO 0.19 -0.16 1.00 -0.94 -3.33 0.00 0.00 175.10 171.87 1ncr s SER 214 N -0.93 -0.15 0.10 3.54 1.04 -0.75 -2.68 113.70 113.86 1ncr s SER 214 Ca -0.10 -0.40 0.01 0.00 0.48 0.00 0.00 55.95 55.95 1ncr s SER 214 Cb -0.04 0.45 -0.04 0.00 0.10 0.00 0.00 66.02 66.50 1ncr s SER 214 CO 0.04 -0.84 0.21 -0.83 0.98 0.00 0.00 173.24 172.80 1ncr s GLY 215 N -2.99 1.99 0.88 7.32 0.00 0.16 -0.39 107.32 114.29 1ncr s GLY 215 Ca 0.13 -0.95 -0.10 0.00 0.00 0.00 0.00 44.72 43.80 1ncr s GLY 215 CO 0.02 -0.94 1.20 0.00 0.00 0.00 0.00 173.10 173.39 1ncr h LYS 217 N -1.24 0.00 -0.15 0.00 2.10 -2.00 -0.59 116.57 114.70 1ncr h LYS 217 Ca -0.41 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.24 1ncr h LYS 217 Cb 1.24 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.57 1ncr h LYS 217 CO 0.37 0.00 0.00 -0.40 -2.00 0.00 0.00 179.45 177.42 1ncr n ASP 218 N -3.15 3.09 -4.77 7.07 5.75 -1.26 -4.97 116.55 118.31 1ncr n ASP 218 Ca 0.01 -1.98 -0.40 0.00 -0.01 0.00 0.00 54.79 52.41 1ncr n ASP 218 Cb 0.44 -0.08 -0.01 0.00 -1.03 0.00 0.00 41.12 40.44 1ncr n ASP 218 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 1ncr s PHE 219 N -1.84 2.87 -0.21 2.11 5.36 -0.23 -3.79 117.98 122.25 1ncr s PHE 219 Ca 0.32 1.41 -0.27 0.00 -0.96 0.00 0.00 56.93 57.44 1ncr s PHE 219 Cb 0.21 -3.67 0.08 0.00 -0.34 0.00 0.00 43.02 39.30 1ncr s PHE 219 CO 0.31 -2.02 0.75 0.00 -1.46 0.00 0.00 175.22 172.79 1ncr s LEU 221 N -0.07 2.93 0.00 0.00 1.43 -1.26 -1.50 118.68 120.21 1ncr s LEU 221 Ca -0.02 -0.59 -0.13 0.00 -1.03 0.00 0.00 54.13 52.36 1ncr s LEU 221 Cb -0.04 -1.63 0.02 0.00 0.03 0.00 0.00 46.19 44.57 1ncr s LEU 221 CO 0.03 0.11 0.27 -0.60 0.23 0.00 0.00 176.35 176.38 1ncr s ARG 222 N -2.79 0.65 -0.28 1.70 3.52 -0.28 -4.98 118.95 116.50 1ncr s ARG 222 Ca 0.24 -0.31 -0.05 0.00 -0.13 0.00 0.00 55.73 55.49 1ncr s ARG 222 Cb -0.09 0.28 0.01 0.00 -1.56 0.00 0.00 34.95 33.59 1ncr s ARG 222 CO 0.15 -0.18 0.17 -0.12 -0.81 0.00 0.00 175.30 174.51 1ncr n MET 223 N 1.17 -2.47 -1.72 5.12 1.56 -1.26 -1.20 117.12 118.31 1ncr n MET 223 Ca -0.21 2.14 -0.43 0.00 -0.27 0.00 0.00 57.70 58.93 1ncr n MET 223 Cb 0.57 -4.61 -0.01 0.00 2.15 0.00 0.00 33.22 31.31 1ncr n MET 223 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 1ncr n ALA 224 N 0.23 1.88 -2.76 -5.12 0.00 -1.26 -0.39 120.51 113.09 1ncr n ALA 224 Ca 0.03 0.37 -0.10 0.00 0.00 0.00 0.00 53.44 53.75 1ncr n ALA 224 Cb 0.13 -2.36 -0.06 0.00 0.00 0.00 0.00 19.45 17.16 1ncr n ALA 224 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 1ncr s ARG 225 N -1.11 0.93 0.45 0.00 1.70 0.92 -4.83 118.95 117.01 1ncr s ARG 225 Ca 0.61 -0.83 -0.22 0.00 -0.47 0.00 0.00 55.73 54.82 1ncr s ARG 225 Cb -0.55 0.39 -0.08 0.00 -0.57 0.00 0.00 34.95 34.15 1ncr s ARG 225 CO 0.55 -0.33 1.08 -0.51 -1.08 0.00 0.00 175.30 175.01 1ncr s ASP 226 N -2.79 6.38 0.36 -2.89 1.01 -1.26 -4.23 116.67 113.26 1ncr s ASP 226 Ca 0.03 2.08 -0.19 0.00 0.71 0.00 0.00 52.55 55.18 1ncr s ASP 226 Cb 0.03 -2.58 -0.10 0.00 1.01 0.00 0.00 42.92 41.28 1ncr s ASP 226 CO -0.11 -0.76 0.86 0.28 0.21 0.00 0.00 175.17 175.65 1ncr s THR 227 N -1.74 4.48 -0.75 -1.27 -1.32 -1.25 -4.84 115.64 108.95 1ncr s THR 227 Ca 0.64 1.33 0.14 0.00 -1.21 0.00 0.00 61.69 62.58 1ncr s THR 227 Cb -0.22 -3.68 0.42 0.00 -1.51 0.00 0.00 72.50 67.52 1ncr s THR 227 CO 0.27 -0.17 1.35 -0.90 -2.21 0.00 0.00 174.62 172.96 1ncr n ASP 228 N -0.28 3.43 -1.11 8.08 5.75 -1.26 -4.34 116.55 126.82 1ncr n ASP 228 Ca 0.04 -2.35 0.10 0.00 -0.01 0.00 0.00 54.79 52.58 1ncr n ASP 228 Cb 0.53 -0.37 0.27 0.00 -1.03 0.00 0.00 41.12 40.52 1ncr n ASP 228 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1ncr n LEU 229 N 0.30 3.22 -3.63 -2.12 4.77 -1.26 -4.89 117.00 113.40 1ncr n LEU 229 Ca 0.16 -1.58 -0.14 0.00 -0.03 0.00 0.00 56.01 54.42 1ncr n LEU 229 Cb 0.62 -0.38 -0.07 0.00 -2.33 0.00 0.00 43.42 41.26 1ncr n LEU 229 CO 0.12 0.79 0.41 -2.28 -1.33 0.00 0.00 177.39 175.10 1ncr s HIS 230 N -1.24 -0.76 0.27 -1.77 2.46 -1.26 -5.13 115.29 107.85 1ncr s HIS 230 Ca 0.40 1.83 0.01 0.00 0.47 0.00 0.00 55.06 57.78 1ncr s HIS 230 Cb 0.21 0.27 -0.03 0.00 -0.13 0.00 0.00 32.58 32.91 1ncr s HIS 230 CO 0.28 -0.39 0.25 -1.59 -2.47 0.00 0.00 174.74 170.82 1ncr s LYS 231 N 0.26 1.52 -0.17 2.88 -2.85 -1.26 -4.92 119.74 115.19 1ncr s LYS 231 Ca -0.01 -1.77 -0.04 0.00 -1.00 0.00 0.00 55.97 53.15 1ncr s LYS 231 Cb -0.05 0.32 0.06 0.00 -2.06 0.00 0.00 37.83 36.10 1ncr s LYS 231 CO 0.02 -0.55 0.07 -1.14 0.10 0.00 0.00 175.35 173.84 1ncr s GLN 232 N -3.75 0.30 0.00 1.78 0.74 -1.26 -5.01 119.66 112.45 1ncr s GLN 232 Ca 0.38 -0.18 0.19 0.00 0.05 0.00 0.00 55.36 55.79 1ncr s GLN 232 Cb 0.04 -1.85 0.51 0.00 1.10 0.00 0.00 33.01 32.81 1ncr s GLN 232 CO 0.19 -0.63 1.43 0.25 -0.55 0.00 0.00 175.29 175.97 1ncr n THR 233 N 5.19 0.95 -3.82 -0.34 -2.24 -1.26 -5.00 114.28 107.75 1ncr n THR 233 Ca -0.08 -0.97 -0.05 0.00 -2.27 0.00 0.00 64.05 60.68 1ncr n THR 233 Cb 0.48 0.55 0.01 0.00 -2.10 0.00 0.00 70.33 69.27 1ncr n THR 233 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1ncr s GLY 234 N -1.03 0.04 0.31 3.38 0.00 -1.26 -5.15 107.32 103.61 1ncr s GLY 234 Ca 0.40 -0.27 -0.28 0.00 0.00 0.00 0.00 44.72 44.56 1ncr s GLY 234 CO 0.27 0.84 1.15 2.56 0.00 0.00 0.00 173.10 177.92 1ncr s PRO 235 N -2.72 4.48 -0.40 2.90 0.04 -1.26 -4.99 135.00 133.05 1ncr s PRO 235 Ca 0.16 1.89 -0.17 0.00 0.04 0.00 0.00 61.00 62.92 1ncr s PRO 235 Cb -0.03 -3.06 0.01 0.00 0.04 0.00 0.00 34.50 31.46 1ncr s PRO 235 CO 0.06 0.04 0.44 0.42 0.04 0.00 0.00 177.00 177.99 1ncr s ILE 236 N -1.22 5.09 0.42 0.56 1.01 -1.26 -5.05 121.20 120.75 1ncr s ILE 236 Ca 0.48 -0.23 0.08 0.00 0.00 0.00 0.00 60.65 60.98 1ncr s ILE 236 Cb -0.33 -4.01 -0.00 0.00 0.01 0.00 0.00 42.46 38.13 1ncr s ILE 236 CO 0.43 -0.36 0.51 0.42 0.00 0.00 0.00 174.94 175.93 1ncr s THR 237 N 2.16 2.92 -2.00 2.92 -4.23 -1.26 -5.29 115.64 110.86 1ncr s THR 237 Ca 0.13 -1.11 0.32 0.00 -1.18 0.00 0.00 61.69 59.84 1ncr s THR 237 Cb -0.17 -3.01 0.90 0.00 1.34 0.00 0.00 72.50 71.56 1ncr s THR 237 CO 0.13 -0.01 2.21 1.67 -0.54 0.00 0.00 174.62 178.09