#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2mev s PRO 2 N 0.00 4.02 -0.06 4.33 0.02 -1.26 -4.99 135.00 137.06 2mev s PRO 2 Ca 0.00 2.15 -0.26 0.00 0.02 0.00 0.00 61.00 62.92 2mev s PRO 2 Cb 0.00 -2.80 -0.03 0.00 0.02 0.00 0.00 34.50 31.69 2mev s PRO 2 CO 0.00 -0.44 0.81 0.42 -0.33 0.00 0.00 177.00 177.46 2mev s ILE 3 N -1.25 4.96 0.08 2.83 -1.09 -1.26 -5.05 121.20 120.42 2mev s ILE 3 Ca 0.56 1.68 -0.31 0.00 -2.23 0.00 0.00 60.65 60.35 2mev s ILE 3 Cb -0.38 -4.15 -0.07 0.00 -1.58 0.00 0.00 42.46 36.28 2mev s ILE 3 CO 0.49 0.18 1.33 -2.16 -1.23 0.00 0.00 174.94 173.55 2mev s PRO 4 N 1.12 4.35 0.13 2.79 0.04 -1.26 -5.04 135.00 137.13 2mev s PRO 4 Ca 0.42 1.96 0.08 0.00 0.04 0.00 0.00 61.00 63.50 2mev s PRO 4 Cb -0.19 -3.33 -0.04 0.00 0.04 0.00 0.00 34.50 30.99 2mev s PRO 4 CO 0.20 -0.40 -0.18 0.14 0.04 0.00 0.00 177.00 176.80 2mev s VAL 5 N 1.29 1.63 -0.28 -0.36 -7.23 -1.26 -5.12 120.40 109.06 2mev s VAL 5 Ca 0.63 -1.72 -0.07 0.00 -1.81 0.00 0.00 61.98 59.01 2mev s VAL 5 Cb -0.34 -1.63 -0.00 0.00 0.56 0.00 0.00 36.38 34.97 2mev s VAL 5 CO 0.29 -0.26 0.08 -0.89 -0.31 0.00 0.00 175.10 174.02 2mev s THR 6 N -1.75 4.10 -0.15 5.32 2.01 -1.26 -5.09 115.64 118.82 2mev s THR 6 Ca 0.10 -0.51 -0.28 0.00 0.31 0.00 0.00 61.69 61.31 2mev s THR 6 Cb -0.07 -3.05 -0.01 0.00 0.01 0.00 0.00 72.50 69.38 2mev s THR 6 CO 0.05 0.16 0.94 -0.63 -0.69 0.00 0.00 174.62 174.45 2mev s ILE 7 N 1.54 4.81 0.59 1.82 1.01 -1.26 -5.02 121.20 124.69 2mev s ILE 7 Ca 0.04 1.88 -0.17 0.00 0.00 0.00 0.00 60.65 62.39 2mev s ILE 7 Cb -0.16 -4.24 -0.04 0.00 0.01 0.00 0.00 42.46 38.03 2mev s ILE 7 CO 0.03 -0.02 1.11 -0.13 0.00 0.00 0.00 174.94 175.93 2mev s ARG 8 N 2.25 3.18 0.38 2.79 1.81 -1.26 -4.92 118.95 123.18 2mev s ARG 8 Ca 0.44 1.47 0.11 0.00 -1.72 0.00 0.00 55.73 56.03 2mev s ARG 8 Cb -0.17 -1.99 0.89 0.00 -0.45 0.00 0.00 34.95 33.23 2mev s ARG 8 CO 0.14 -0.96 1.90 1.05 -0.68 0.00 0.00 175.30 176.74 2mev h GLU 9 N 0.72 0.58 -0.36 3.54 9.09 -2.08 -1.09 114.58 124.99 2mev h GLU 9 Ca -0.48 -0.04 0.00 0.00 0.05 0.00 0.00 59.36 58.89 2mev h GLU 9 Cb 1.25 -0.13 0.00 0.00 -1.65 0.00 0.00 28.75 28.22 2mev h GLU 9 CO 0.56 0.39 0.00 -2.39 0.05 0.00 0.00 179.01 177.62 2mev n HIS 10 N -4.52 0.00 -1.54 2.06 1.44 -1.26 -4.93 115.22 106.46 2mev n HIS 10 Ca 0.16 0.00 -0.52 0.00 -2.01 0.00 0.00 57.72 55.34 2mev n HIS 10 Cb 0.47 -0.04 -0.06 0.00 0.12 0.00 0.00 29.99 30.49 2mev n HIS 10 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2mev n ALA 11 N -0.29 -1.81 -0.14 1.59 0.00 -0.41 -2.43 120.51 117.02 2mev n ALA 11 Ca 0.00 0.51 0.00 0.00 0.00 0.00 0.00 53.44 53.95 2mev n ALA 11 Cb 0.09 -1.93 0.00 0.00 0.00 0.00 0.00 19.45 17.61 2mev n ALA 11 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2mev n GLY 12 N 2.01 1.77 3.77 0.00 0.00 -1.26 -5.07 105.19 106.40 2mev n GLY 12 Ca 0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.86 2mev n GLY 12 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2mev s THR 13 N -2.81 3.15 -0.12 2.61 2.01 -1.02 -5.06 115.64 114.40 2mev s THR 13 Ca 0.00 0.59 0.02 0.00 0.31 0.00 0.00 61.69 62.61 2mev s THR 13 Cb 0.00 -3.13 -0.00 0.00 0.01 0.00 0.00 72.50 69.37 2mev s THR 13 CO 0.00 -0.28 -0.19 0.86 -0.69 0.00 0.00 174.62 174.32 2mev s TRP 14 N -2.14 2.67 -0.28 4.92 -0.00 -1.26 -5.10 118.94 117.76 2mev s TRP 14 Ca 0.69 -0.92 -0.05 0.00 -0.00 0.00 0.00 56.10 55.83 2mev s TRP 14 Cb -0.22 -1.78 0.02 0.00 -0.00 0.00 0.00 33.47 31.49 2mev s TRP 14 CO 0.37 -0.36 0.02 0.71 -0.00 0.00 0.00 176.95 177.70 2mev s TYR 15 N 0.41 3.13 0.54 5.86 2.02 -1.26 -4.99 117.35 123.05 2mev s TYR 15 Ca -0.14 -1.25 0.26 0.00 -0.37 0.00 0.00 57.07 55.56 2mev s TYR 15 Cb -0.17 -2.17 1.42 0.00 -0.40 0.00 0.00 41.96 40.64 2mev s TYR 15 CO 0.06 -0.65 1.99 0.66 -1.57 0.00 0.00 175.55 176.05 2mev h SER 16 N 8.14 0.00 -0.15 2.29 4.64 -2.04 -2.35 113.55 124.07 2mev h SER 16 Ca -0.31 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.99 2mev h SER 16 Cb 1.11 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.20 2mev h SER 16 CO 0.59 0.00 -0.03 0.35 -0.87 0.00 0.00 176.83 176.87 2mev n THR 17 N -4.29 2.15 -1.59 2.95 -2.24 -1.26 -5.07 114.28 104.93 2mev n THR 17 Ca 0.09 -2.16 -0.55 0.00 -2.27 0.00 0.00 64.05 59.17 2mev n THR 17 Cb 0.60 -0.26 -0.07 0.00 -2.10 0.00 0.00 70.33 68.51 2mev n THR 17 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 2mev n LEU 18 N -0.96 1.40 -2.91 3.22 0.00 -0.89 -4.81 117.00 112.05 2mev n LEU 18 Ca 0.20 1.12 -0.24 0.00 0.00 0.00 0.00 56.01 57.09 2mev n LEU 18 Cb 0.80 -1.12 -0.05 0.00 0.00 0.00 0.00 43.42 43.04 2mev n LEU 18 CO 0.09 -1.13 2.45 -0.81 0.00 0.00 0.00 177.39 177.99 2mev n PRO 19 N 2.73 2.51 -3.58 1.96 -0.04 -1.26 -4.79 135.00 132.53 2mev n PRO 19 Ca 0.20 -1.52 -0.09 0.00 -0.04 0.00 0.00 63.50 62.05 2mev n PRO 19 Cb 0.15 -2.41 -0.02 0.00 -0.04 0.00 0.00 33.50 31.18 2mev n PRO 19 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2mev s ASP 20 N 2.63 -0.40 0.58 3.54 3.68 -1.26 -5.19 116.67 120.25 2mev s ASP 20 Ca 0.54 -0.19 -0.01 0.00 2.13 0.00 0.00 52.55 55.02 2mev s ASP 20 Cb 0.17 0.57 0.04 0.00 -1.45 0.00 0.00 42.92 42.25 2mev s ASP 20 CO -0.03 -0.97 0.83 -0.94 0.13 0.00 0.00 175.17 174.19 2mev s SER 21 N -2.76 5.21 0.00 -0.34 1.04 -1.26 -5.13 113.70 110.46 2mev s SER 21 Ca 0.06 0.14 0.00 0.00 0.48 0.00 0.00 55.95 56.62 2mev s SER 21 Cb -0.02 -0.99 0.00 0.00 0.10 0.00 0.00 66.02 65.11 2mev s SER 21 CO -0.06 -1.22 0.00 1.07 0.98 0.00 0.00 173.24 174.01 2mev n THR 22 N -2.47 0.00 -2.41 2.02 5.66 -1.26 -5.10 114.28 110.72 2mev n THR 22 Ca 0.07 0.00 -0.42 0.00 -3.05 0.00 0.00 64.05 60.65 2mev n THR 22 Cb 0.60 -0.01 -0.03 0.00 -1.55 0.00 0.00 70.33 69.34 2mev n THR 22 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 2mev s VAL 23 N 0.49 4.10 0.01 1.08 1.01 -1.26 -5.04 120.40 120.79 2mev s VAL 23 Ca 0.00 1.46 -0.28 0.00 0.00 0.00 0.00 61.98 63.16 2mev s VAL 23 Cb 0.00 -3.94 -0.04 0.00 0.00 0.00 0.00 36.38 32.40 2mev s VAL 23 CO 0.00 0.03 0.89 -2.16 0.00 0.00 0.00 175.10 173.85 2mev s PRO 24 N 1.97 4.54 -0.00 2.72 0.04 -1.26 -4.97 135.00 138.04 2mev s PRO 24 Ca 0.58 1.25 0.07 0.00 0.04 0.00 0.00 61.00 62.95 2mev s PRO 24 Cb -0.27 -3.43 -0.08 0.00 0.04 0.00 0.00 34.50 30.75 2mev s PRO 24 CO 0.24 0.05 0.30 0.44 0.04 0.00 0.00 177.00 178.08 2mev n ILE 25 N 3.58 0.00 -3.21 0.56 -5.35 -1.26 -4.80 119.36 108.88 2mev n ILE 25 Ca 0.03 -0.32 -0.23 0.00 -0.27 0.00 0.00 62.75 61.96 2mev n ILE 25 Cb 0.51 0.96 -0.06 0.00 -1.74 0.00 0.00 39.64 39.30 2mev n ILE 25 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2mev n TYR 26 N -1.21 0.44 -0.99 4.28 -0.00 -1.26 -5.12 117.16 113.31 2mev n TYR 26 Ca 0.01 -3.71 -0.29 0.00 -0.00 0.00 0.00 57.90 53.92 2mev n TYR 26 Cb 0.12 -0.40 0.21 0.00 -0.00 0.00 0.00 39.34 39.27 2mev n TYR 26 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.86 177.06 2mev s GLY 27 N -1.68 1.55 -1.70 2.98 0.00 -1.26 -4.26 107.32 102.96 2mev s GLY 27 Ca 0.37 -0.38 -0.02 0.00 0.00 0.00 0.00 44.72 44.70 2mev s GLY 27 CO -0.09 0.30 0.23 0.28 0.00 0.00 0.00 173.10 173.81 2mev n LYS 28 N -4.46 -2.88 -3.04 2.90 5.02 -1.26 -4.96 118.16 109.47 2mev n LYS 28 Ca 0.05 0.97 -0.43 0.00 -2.02 0.00 0.00 58.31 56.88 2mev n LYS 28 Cb 0.57 -5.71 -0.06 0.00 -0.02 0.00 0.00 35.03 29.81 2mev n LYS 28 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2mev s THR 29 N -3.09 4.75 0.40 -0.18 2.01 -1.26 -5.04 115.64 113.23 2mev s THR 29 Ca 0.11 0.35 -0.23 0.00 0.31 0.00 0.00 61.69 62.23 2mev s THR 29 Cb -0.05 -4.24 -0.10 0.00 0.01 0.00 0.00 72.50 68.12 2mev s THR 29 CO 0.14 -0.61 1.00 -2.16 -0.69 0.00 0.00 174.62 172.30 2mev s PRO 30 N 3.03 4.22 0.61 4.92 0.04 -1.26 -5.04 135.00 141.52 2mev s PRO 30 Ca 0.26 1.36 -0.00 0.00 0.04 0.00 0.00 61.00 62.66 2mev s PRO 30 Cb -0.13 -2.45 0.06 0.00 0.04 0.00 0.00 34.50 32.02 2mev s PRO 30 CO 0.20 -0.06 0.86 0.08 0.04 0.00 0.00 177.00 178.12 2mev s VAL 31 N -1.82 2.49 -0.25 -0.36 1.01 -1.26 -5.06 120.40 115.14 2mev s VAL 31 Ca 0.58 -0.60 -0.20 0.00 0.00 0.00 0.00 61.98 61.76 2mev s VAL 31 Cb -0.17 -2.88 -0.02 0.00 0.00 0.00 0.00 36.38 33.30 2mev s VAL 31 CO 0.22 0.00 0.61 0.00 0.00 0.00 0.00 175.10 175.93 2mev s ALA 32 N -2.91 3.60 0.10 5.51 0.00 -1.26 -4.98 121.76 121.82 2mev s ALA 32 Ca 0.60 -0.44 -0.36 0.00 0.00 0.00 0.00 51.96 51.75 2mev s ALA 32 Cb -0.09 -3.01 -0.17 0.00 0.00 0.00 0.00 23.12 19.85 2mev s ALA 32 CO 0.41 -0.78 1.30 -2.30 0.00 0.00 0.00 175.76 174.39 2mev n PRO 33 N 5.63 1.11 -0.88 0.00 -0.02 -1.26 -4.85 135.00 134.73 2mev n PRO 33 Ca -0.01 0.40 0.05 0.00 -2.02 0.00 0.00 63.50 61.92 2mev n PRO 33 Cb 0.49 -2.01 0.14 0.00 -0.02 0.00 0.00 33.50 32.10 2mev n PRO 33 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2mev n ALA 34 N 2.31 3.14 1.21 3.55 0.00 -1.26 -4.82 120.51 124.63 2mev n ALA 34 Ca 0.18 -2.91 0.12 0.00 0.00 0.00 0.00 53.44 50.83 2mev n ALA 34 Cb 0.20 -0.49 0.63 0.00 0.00 0.00 0.00 19.45 19.79 2mev n ALA 34 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2mev n ASN 35 N -0.56 0.00 0.05 0.00 0.23 -1.26 -2.93 115.26 110.79 2mev n ASN 35 Ca 0.14 -0.17 0.12 0.00 -0.53 0.00 0.00 54.58 54.14 2mev n ASN 35 Cb 0.84 -0.24 0.23 0.00 -2.08 0.00 0.00 39.78 38.53 2mev n ASN 35 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2mev n TYR 36 N -1.24 0.43 -1.72 -2.53 0.18 -1.26 -4.97 117.16 106.05 2mev n TYR 36 Ca 0.13 0.13 -0.39 0.00 1.88 0.00 0.00 57.90 59.64 2mev n TYR 36 Cb 0.18 -0.58 0.04 0.00 -0.38 0.00 0.00 39.34 38.59 2mev n TYR 36 CO 0.00 0.00 0.00 -1.33 -2.08 0.00 0.00 176.86 173.45 2mev n MET 37 N -1.96 1.64 -4.37 -3.48 2.81 -1.15 -5.06 117.12 105.56 2mev n MET 37 Ca 0.04 0.60 -0.21 0.00 -1.81 0.00 0.00 57.70 56.33 2mev n MET 37 Cb 0.41 -2.49 -0.09 0.00 -0.71 0.00 0.00 33.22 30.34 2mev n MET 37 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 2mev s VAL 38 N -1.30 0.31 -0.73 2.03 -7.23 -1.26 -4.93 120.40 107.29 2mev s VAL 38 Ca 0.70 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.87 2mev s VAL 38 Cb -0.43 -2.46 0.00 0.00 0.56 0.00 0.00 36.38 34.05 2mev s VAL 38 CO 0.50 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.90 2mev n GLY 39 N -0.68 0.35 3.86 2.32 0.00 -1.26 -5.04 105.19 104.74 2mev n GLY 39 Ca 0.01 -0.60 -0.32 0.00 0.00 0.00 0.00 46.02 45.11 2mev n GLY 39 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2mev s GLU 40 N -3.84 3.89 0.20 1.61 2.12 -1.26 -5.08 118.70 116.35 2mev s GLU 40 Ca 0.00 0.43 0.07 0.00 0.36 0.00 0.00 54.97 55.83 2mev s GLU 40 Cb 0.00 -2.60 -0.05 0.00 0.26 0.00 0.00 34.13 31.74 2mev s GLU 40 CO 0.00 0.28 -0.11 1.52 -0.54 0.00 0.00 175.26 176.40 2mev s TYR 41 N -1.84 1.63 0.00 5.30 1.13 -1.26 -5.08 117.35 117.23 2mev s TYR 41 Ca 0.49 -0.66 0.00 0.00 -1.41 0.00 0.00 57.07 55.49 2mev s TYR 41 Cb -0.11 -0.81 0.00 0.00 -1.10 0.00 0.00 41.96 39.94 2mev s TYR 41 CO 0.20 0.26 0.00 1.63 -2.51 0.00 0.00 175.55 175.13 2mev n LYS 42 N -0.37 3.41 -4.23 -3.49 5.02 -1.26 -5.04 118.16 112.21 2mev n LYS 42 Ca -0.08 0.00 -0.19 0.00 -2.02 0.00 0.00 58.31 56.02 2mev n LYS 42 Cb 0.61 -0.56 -0.16 0.00 -0.02 0.00 0.00 35.03 34.90 2mev n LYS 42 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2mev s ASP 43 N -0.96 0.92 0.52 4.39 3.68 -1.26 -5.02 116.67 118.93 2mev s ASP 43 Ca 0.00 -0.13 0.18 0.00 2.13 0.00 0.00 52.55 54.72 2mev s ASP 43 Cb 0.00 -0.31 1.28 0.00 -1.45 0.00 0.00 42.92 42.44 2mev s ASP 43 CO 0.00 0.01 2.11 -0.26 0.13 0.00 0.00 175.17 177.16 2mev h PHE 44 N 6.64 0.02 0.00 -5.34 0.04 -2.00 0.48 116.94 116.78 2mev h PHE 44 Ca -0.35 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.41 2mev h PHE 44 Cb 1.17 -0.01 -0.00 0.00 2.20 0.00 0.00 35.95 39.31 2mev h PHE 44 CO 0.46 0.01 -0.07 -0.07 -0.60 0.00 0.00 178.31 178.05 2mev h LEU 45 N 0.02 0.00 -1.30 1.54 3.38 -1.97 0.46 115.31 117.44 2mev h LEU 45 Ca 0.06 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 2mev h LEU 45 Cb 0.22 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 2mev h LEU 45 CO -0.00 0.07 0.13 -0.08 0.09 0.00 0.00 178.44 178.64 2mev h GLU 46 N 0.00 0.61 -0.01 1.13 4.81 -1.32 -3.13 114.58 116.67 2mev h GLU 46 Ca -0.00 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 59.13 2mev h GLU 46 Cb 0.20 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.48 2mev h GLU 46 CO 0.01 0.54 -0.12 0.44 -0.73 0.00 0.00 179.01 179.15 2mev n ILE 47 N -4.34 0.00 0.74 2.32 -5.35 -0.02 -4.44 119.36 108.27 2mev n ILE 47 Ca 0.03 -0.44 0.08 0.00 -0.27 0.00 0.00 62.75 62.15 2mev n ILE 47 Cb 0.18 1.15 0.41 0.00 -1.74 0.00 0.00 39.64 39.64 2mev n ILE 47 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2mev n ALA 48 N 0.09 1.88 0.96 -1.28 0.00 -0.23 -2.23 120.51 119.70 2mev n ALA 48 Ca 0.05 -0.07 0.13 0.00 0.00 0.00 0.00 53.44 53.54 2mev n ALA 48 Cb 0.22 -1.27 0.35 0.00 0.00 0.00 0.00 19.45 18.75 2mev n ALA 48 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2mev n GLN 49 N -1.34 0.03 -2.85 0.00 6.02 -1.26 -1.16 117.38 116.82 2mev n GLN 49 Ca 0.07 0.01 -0.42 0.00 -0.01 0.00 0.00 57.00 56.65 2mev n GLN 49 Cb 0.15 -1.52 -0.04 0.00 1.02 0.00 0.00 30.24 29.85 2mev n GLN 49 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2mev s ILE 50 N -3.01 4.81 0.25 5.09 1.01 -0.95 -4.56 121.20 123.85 2mev s ILE 50 Ca 0.12 1.67 -0.30 0.00 0.00 0.00 0.00 60.65 62.14 2mev s ILE 50 Cb 0.18 -4.16 -0.09 0.00 0.01 0.00 0.00 42.46 38.39 2mev s ILE 50 CO 0.65 -0.08 1.30 -2.16 0.00 0.00 0.00 174.94 174.65 2mev s PRO 51 N 2.81 4.39 0.35 2.79 0.04 -1.26 -4.78 135.00 139.35 2mev s PRO 51 Ca 0.37 2.10 0.06 0.00 0.04 0.00 0.00 61.00 63.57 2mev s PRO 51 Cb -0.15 -3.15 -0.07 0.00 0.04 0.00 0.00 34.50 31.17 2mev s PRO 51 CO 0.08 -0.20 0.00 0.95 0.04 0.00 0.00 177.00 177.87 2mev s THR 52 N -0.40 1.69 0.06 1.26 -4.23 -0.95 -4.89 115.64 108.19 2mev s THR 52 Ca 0.53 -2.04 -0.30 0.00 -1.18 0.00 0.00 61.69 58.70 2mev s THR 52 Cb -0.37 -2.80 -0.05 0.00 1.34 0.00 0.00 72.50 70.61 2mev s THR 52 CO 0.43 -0.07 1.02 -0.36 -0.54 0.00 0.00 174.62 175.10 2mev s PHE 53 N -2.95 3.66 0.17 3.99 0.40 -1.26 -0.71 117.98 121.29 2mev s PHE 53 Ca 0.34 1.65 -0.26 0.00 -0.60 0.00 0.00 56.93 58.07 2mev s PHE 53 Cb 0.08 -3.17 -0.08 0.00 0.51 0.00 0.00 43.02 40.36 2mev s PHE 53 CO 0.16 -0.21 0.80 0.42 0.70 0.00 0.00 175.22 177.09 2mev s ILE 54 N 0.62 4.33 -0.24 0.64 1.01 -0.14 -4.27 121.20 123.16 2mev s ILE 54 Ca 0.51 1.76 -0.15 0.00 0.00 0.00 0.00 60.65 62.77 2mev s ILE 54 Cb -0.24 -4.17 -0.04 0.00 0.01 0.00 0.00 42.46 38.03 2mev s ILE 54 CO 0.29 0.51 0.39 -0.83 0.00 0.00 0.00 174.94 175.31 2mev s GLY 55 N -1.11 1.96 -0.06 6.18 0.00 -0.88 -4.36 107.32 109.04 2mev s GLY 55 Ca 0.37 -0.68 -0.01 0.00 0.00 0.00 0.00 44.72 44.40 2mev s GLY 55 CO 0.27 0.93 -0.01 -1.31 0.00 0.00 0.00 173.10 172.98 2mev s ASN 56 N 1.37 5.12 -0.76 1.64 -0.87 0.00 -4.60 114.94 116.84 2mev s ASN 56 Ca 0.17 0.09 -0.03 0.00 -1.57 0.00 0.00 52.86 51.52 2mev s ASN 56 Cb -0.15 -1.40 0.00 0.00 -0.02 0.00 0.00 41.25 39.68 2mev s ASN 56 CO 0.09 0.36 0.33 0.29 -2.57 0.00 0.00 177.10 175.60 2mev n LYS 57 N 1.99 -2.60 -1.57 -0.60 4.01 -1.26 -0.77 118.16 117.36 2mev n LYS 57 Ca -0.18 0.45 -0.43 0.00 -0.51 0.00 0.00 58.31 57.64 2mev n LYS 57 Cb 0.53 -4.33 -0.00 0.00 -0.51 0.00 0.00 35.03 30.72 2mev n LYS 57 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 2mev n VAL 58 N -3.85 2.13 0.15 -0.18 0.31 -1.26 -1.63 118.33 113.99 2mev n VAL 58 Ca -0.05 -0.50 0.04 0.00 -0.01 0.00 0.00 64.34 63.82 2mev n VAL 58 Cb 0.56 -0.95 0.20 0.00 -0.91 0.00 0.00 33.84 32.74 2mev n VAL 58 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 2mev n PRO 59 N 0.48 2.83 -1.83 5.55 -0.04 -1.26 -4.86 135.00 135.88 2mev n PRO 59 Ca 0.10 -1.60 -0.34 0.00 -0.04 0.00 0.00 63.50 61.62 2mev n PRO 59 Cb 0.36 -1.79 0.04 0.00 -0.04 0.00 0.00 33.50 32.07 2mev n PRO 59 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2mev n ASN 60 N 0.38 6.84 -4.61 3.54 4.13 -0.65 -5.02 115.26 119.88 2mev n ASN 60 Ca 0.14 -3.79 -0.46 0.00 1.68 0.00 0.00 54.58 52.14 2mev n ASN 60 Cb 0.67 -0.86 -0.03 0.00 -1.54 0.00 0.00 39.78 38.02 2mev n ASN 60 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2mev n ALA 61 N -0.67 -0.13 -2.67 5.41 0.00 -1.23 -4.73 120.51 116.48 2mev n ALA 61 Ca 0.53 0.42 -0.19 0.00 0.00 0.00 0.00 53.44 54.21 2mev n ALA 61 Cb 0.53 -2.08 -0.13 0.00 0.00 0.00 0.00 19.45 17.76 2mev n ALA 61 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2mev s VAL 62 N -0.48 0.96 -0.97 0.00 -7.23 0.05 -4.89 120.40 107.85 2mev s VAL 62 Ca 0.67 -0.85 0.00 0.00 -1.81 0.00 0.00 61.98 59.99 2mev s VAL 62 Cb -0.75 -0.87 0.00 0.00 0.56 0.00 0.00 36.38 35.32 2mev s VAL 62 CO 0.55 0.02 0.49 -0.81 -0.31 0.00 0.00 175.10 175.04 2mev n PRO 63 N 2.11 0.95 -3.97 4.82 -0.04 -1.26 -0.82 135.00 136.78 2mev n PRO 63 Ca -0.17 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.20 2mev n PRO 63 Cb 0.55 -1.46 -0.05 0.00 -0.04 0.00 0.00 33.50 32.50 2mev n PRO 63 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 2mev s TYR 64 N -0.96 0.29 0.27 0.54 1.13 -1.26 -1.88 117.35 115.47 2mev s TYR 64 Ca 0.00 -0.66 0.11 0.00 -1.41 0.00 0.00 57.07 55.10 2mev s TYR 64 Cb 0.00 0.24 -0.05 0.00 -1.10 0.00 0.00 41.96 41.06 2mev s TYR 64 CO 0.00 -1.01 -0.10 0.96 -2.51 0.00 0.00 175.55 172.89 2mev s ILE 65 N -4.00 2.98 -0.15 -3.49 -4.36 -0.42 -4.71 121.20 107.05 2mev s ILE 65 Ca 0.21 -2.13 -0.01 0.00 -0.26 0.00 0.00 60.65 58.47 2mev s ILE 65 Cb -0.01 -2.57 -0.01 0.00 1.25 0.00 0.00 42.46 41.12 2mev s ILE 65 CO 0.08 -0.37 -0.13 -1.61 0.24 0.00 0.00 174.94 173.16 2mev s GLU 66 N -3.54 3.33 0.10 0.37 2.02 -1.26 0.14 118.70 119.85 2mev s GLU 66 Ca 0.30 -0.70 -0.10 0.00 0.02 0.00 0.00 54.97 54.49 2mev s GLU 66 Cb -0.06 -2.68 -0.06 0.00 0.10 0.00 0.00 34.13 31.43 2mev s GLU 66 CO 0.17 0.09 0.43 0.00 0.02 0.00 0.00 175.26 175.98 2mev s ALA 67 N 0.66 3.69 0.52 5.21 0.00 -0.12 -4.95 121.76 126.78 2mev s ALA 67 Ca -0.07 -0.34 0.00 0.00 0.00 0.00 0.00 51.96 51.56 2mev s ALA 67 Cb -0.15 -2.32 0.00 0.00 0.00 0.00 0.00 23.12 20.65 2mev s ALA 67 CO 0.02 0.55 0.00 -1.13 0.00 0.00 0.00 175.76 175.20 2mev n SER 68 N 0.80 3.43 -1.87 0.00 3.41 -1.26 -2.44 113.62 115.69 2mev n SER 68 Ca -0.07 -3.27 -0.18 0.00 -0.26 0.00 0.00 58.87 55.10 2mev n SER 68 Cb 0.52 0.36 0.09 0.00 -0.26 0.00 0.00 64.21 64.92 2mev n SER 68 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 2mev n ASN 69 N -1.32 4.78 -3.71 4.04 6.94 -1.24 -1.64 115.26 123.12 2mev n ASN 69 Ca -0.21 -3.11 -0.12 0.00 -0.02 0.00 0.00 54.58 51.12 2mev n ASN 69 Cb 0.65 -0.84 -0.10 0.00 -2.36 0.00 0.00 39.78 37.13 2mev n ASN 69 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 2mev s THR 70 N -2.44 -0.01 -0.63 5.53 -4.23 -1.26 -4.70 115.64 107.89 2mev s THR 70 Ca 0.38 0.05 -0.09 0.00 -1.18 0.00 0.00 61.69 60.84 2mev s THR 70 Cb 0.31 -0.62 0.16 0.00 1.34 0.00 0.00 72.50 73.69 2mev s THR 70 CO 0.04 0.02 0.52 0.00 -0.54 0.00 0.00 174.62 174.66 2mev s ALA 71 N 0.89 3.69 -0.42 3.99 0.00 -1.26 -4.86 121.76 123.79 2mev s ALA 71 Ca -0.05 -2.99 -0.19 0.00 0.00 0.00 0.00 51.96 48.73 2mev s ALA 71 Cb -0.06 -3.04 0.02 0.00 0.00 0.00 0.00 23.12 20.04 2mev s ALA 71 CO -0.07 -2.09 0.52 0.08 0.00 0.00 0.00 175.76 174.20 2mev s VAL 72 N 0.59 4.99 -1.14 0.00 1.01 -1.26 -4.90 120.40 119.68 2mev s VAL 72 Ca 0.13 -0.08 0.02 0.00 0.00 0.00 0.00 61.98 62.04 2mev s VAL 72 Cb -0.20 -4.08 0.02 0.00 0.00 0.00 0.00 36.38 32.12 2mev s VAL 72 CO -0.04 -0.45 0.98 2.29 0.00 0.00 0.00 175.10 177.89 2mev n LYS 73 N 5.85 0.01 0.00 2.72 2.85 -1.26 -1.53 118.16 126.79 2mev n LYS 73 Ca -0.05 0.40 0.11 0.00 -1.05 0.00 0.00 58.31 57.73 2mev n LYS 73 Cb 0.48 -1.50 0.09 0.00 -0.65 0.00 0.00 35.03 33.44 2mev n LYS 73 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 177.40 179.76 2mev n THR 74 N -1.43 0.00 -3.85 0.58 -1.04 -1.26 0.15 114.28 107.44 2mev n THR 74 Ca 0.01 -0.01 -0.34 0.00 -2.04 0.00 0.00 64.05 61.67 2mev n THR 74 Cb 0.02 0.60 -0.12 0.00 -1.82 0.00 0.00 70.33 69.01 2mev n THR 74 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 2mev s GLN 75 N -2.98 1.98 0.51 -2.82 -1.52 -0.59 -4.80 119.66 109.45 2mev s GLN 75 Ca 0.10 -2.08 -0.20 0.00 -1.95 0.00 0.00 55.36 51.23 2mev s GLN 75 Cb 0.17 -3.49 -0.07 0.00 -0.22 0.00 0.00 33.01 29.40 2mev s GLN 75 CO 0.77 -1.07 1.10 -1.25 -0.25 0.00 0.00 175.29 174.59 2mev s PRO 76 N 0.65 3.56 0.19 2.91 0.04 -1.26 -4.68 135.00 136.40 2mev s PRO 76 Ca 0.12 1.54 0.09 0.00 0.04 0.00 0.00 61.00 62.79 2mev s PRO 76 Cb -0.22 -2.08 0.03 0.00 0.04 0.00 0.00 34.50 32.27 2mev s PRO 76 CO -0.04 -0.66 1.42 -0.07 0.04 0.00 0.00 177.00 177.68 2mev h LEU 77 N 1.42 0.00 -7.00 -3.56 4.07 -0.13 -3.47 115.31 106.64 2mev h LEU 77 Ca -0.50 0.00 -0.05 0.00 0.08 0.00 0.00 57.88 57.41 2mev h LEU 77 Cb 1.25 0.00 -0.19 0.00 1.08 0.00 0.00 40.66 42.80 2mev h LEU 77 CO 0.58 0.82 0.21 0.00 -1.08 0.00 0.00 178.44 178.97 2mev s ALA 78 N -3.06 -1.77 -0.09 1.53 0.00 -1.19 -4.84 121.76 112.35 2mev s ALA 78 Ca 0.00 1.27 -0.03 0.00 0.00 0.00 0.00 51.96 53.20 2mev s ALA 78 Cb 0.11 0.03 0.05 0.00 0.00 0.00 0.00 23.12 23.31 2mev s ALA 78 CO 0.79 -0.40 0.13 0.14 0.00 0.00 0.00 175.76 176.42 2mev s VAL 79 N -1.40 -0.20 -0.13 0.00 -7.23 -1.26 -0.88 120.40 109.30 2mev s VAL 79 Ca -0.09 0.29 -0.02 0.00 -1.81 0.00 0.00 61.98 60.34 2mev s VAL 79 Cb -0.00 -0.31 -0.03 0.00 0.56 0.00 0.00 36.38 36.61 2mev s VAL 79 CO 0.08 0.09 -0.05 -0.31 -0.31 0.00 0.00 175.10 174.59 2mev s TYR 80 N 2.24 2.99 0.23 2.82 4.12 -0.09 -4.97 117.35 124.69 2mev s TYR 80 Ca 0.04 -0.27 -0.16 0.00 0.02 0.00 0.00 57.07 56.70 2mev s TYR 80 Cb -0.13 -1.89 -0.08 0.00 -1.52 0.00 0.00 41.96 38.34 2mev s TYR 80 CO -0.06 0.03 0.66 -0.65 0.02 0.00 0.00 175.55 175.55 2mev s GLN 81 N 0.11 4.06 -1.26 -0.62 -0.21 -1.26 -1.07 119.66 119.40 2mev s GLN 81 Ca -0.02 0.64 -0.15 0.00 0.02 0.00 0.00 55.36 55.85 2mev s GLN 81 Cb -0.14 -2.74 0.12 0.00 1.00 0.00 0.00 33.01 31.26 2mev s GLN 81 CO 0.03 0.34 1.61 0.28 -2.12 0.00 0.00 175.29 175.43 2mev n VAL 82 N 0.33 4.10 -3.73 1.09 0.31 -0.58 -4.72 118.33 115.13 2mev n VAL 82 Ca -0.01 -4.40 -0.13 0.00 -0.01 0.00 0.00 64.34 59.80 2mev n VAL 82 Cb 0.52 -2.42 -0.13 0.00 -0.91 0.00 0.00 33.84 30.90 2mev n VAL 82 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 2mev s THR 83 N 2.68 -0.04 -2.00 2.52 -1.32 -1.26 -2.94 115.64 113.29 2mev s THR 83 Ca 0.48 0.14 0.01 0.00 -1.21 0.00 0.00 61.69 61.11 2mev s THR 83 Cb 0.01 -0.36 0.03 0.00 -1.51 0.00 0.00 72.50 70.67 2mev s THR 83 CO 0.03 0.06 0.40 0.18 -2.21 0.00 0.00 174.62 173.08 2mev n LEU 84 N 4.13 0.00 -0.14 9.08 4.77 -1.26 -1.65 117.00 131.93 2mev n LEU 84 Ca -0.24 0.00 0.06 0.00 -0.03 0.00 0.00 56.01 55.80 2mev n LEU 84 Cb 0.53 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.59 2mev n LEU 84 CO 0.15 0.00 0.10 -1.20 -1.33 0.00 0.00 177.39 175.11 2mev n SER 85 N -0.55 0.98 -4.55 -1.43 7.64 -1.26 -4.82 113.62 109.64 2mev n SER 85 Ca 0.01 -0.99 -0.48 0.00 1.01 0.00 0.00 58.87 58.42 2mev n SER 85 Cb 0.00 0.74 -0.03 0.00 -1.01 0.00 0.00 64.21 63.91 2mev n SER 85 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2mev h SER 87 N 2.49 0.00 -0.44 0.00 4.64 -1.95 -1.90 113.55 116.38 2mev h SER 87 Ca -0.40 0.00 0.07 0.00 -0.47 0.00 0.00 61.79 60.99 2mev h SER 87 Cb 1.36 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.40 2mev h SER 87 CO 0.64 0.09 0.11 0.00 -0.87 0.00 0.00 176.83 176.80 2mev n LEU 89 N -5.07 0.40 -0.44 0.00 4.77 -0.74 -2.07 117.00 113.84 2mev n LEU 89 Ca 0.04 0.24 0.34 0.00 -0.03 0.00 0.00 56.01 56.59 2mev n LEU 89 Cb 0.19 -0.32 0.52 0.00 -2.33 0.00 0.00 43.42 41.48 2mev n LEU 89 CO 0.23 0.04 0.94 0.00 -1.33 0.00 0.00 177.39 177.26 2mev n ALA 90 N -1.57 1.19 -0.37 -1.18 0.00 -0.97 -1.30 120.51 116.31 2mev n ALA 90 Ca 0.06 0.43 0.04 0.00 0.00 0.00 0.00 53.44 53.97 2mev n ALA 90 Cb 0.36 -0.72 0.10 0.00 0.00 0.00 0.00 19.45 19.18 2mev n ALA 90 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2mev n ASN 91 N -3.27 2.52 -4.82 0.00 4.13 -1.26 -4.65 115.26 107.91 2mev n ASN 91 Ca 0.28 -2.33 -0.33 0.00 1.68 0.00 0.00 54.58 53.88 2mev n ASN 91 Cb 1.27 -0.20 -0.05 0.00 -1.54 0.00 0.00 39.78 39.25 2mev n ASN 91 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 2mev s THR 92 N -1.58 4.22 0.43 3.41 -4.23 -0.42 -4.88 115.64 112.60 2mev s THR 92 Ca 0.17 1.33 0.11 0.00 -1.18 0.00 0.00 61.69 62.11 2mev s THR 92 Cb 0.12 -3.57 0.21 0.00 1.34 0.00 0.00 72.50 70.61 2mev s THR 92 CO 0.06 -0.36 2.01 0.15 -0.54 0.00 0.00 174.62 175.94 2mev h PHE 93 N 1.62 0.24 -0.12 3.99 3.57 -1.90 -1.14 116.94 123.21 2mev h PHE 93 Ca -0.49 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.03 2mev h PHE 93 Cb 1.19 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 39.83 2mev h PHE 93 CO 0.61 0.27 -0.06 1.25 -2.23 0.00 0.00 178.31 178.14 2mev h LEU 94 N 0.24 -0.21 -0.32 0.59 5.85 -1.87 0.45 115.31 120.04 2mev h LEU 94 Ca 0.06 0.05 -0.12 0.00 0.84 0.00 0.00 57.88 58.71 2mev h LEU 94 Cb 0.19 0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.32 2mev h LEU 94 CO 0.00 -0.09 -0.27 0.00 -0.34 0.00 0.00 178.44 177.75 2mev h ALA 95 N 1.04 0.46 -0.31 1.25 0.00 -1.66 0.32 119.26 120.36 2mev h ALA 95 Ca 0.07 -0.40 -0.07 0.00 0.00 0.00 0.00 54.91 54.51 2mev h ALA 95 Cb 0.16 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 2mev h ALA 95 CO -0.15 0.47 -0.10 0.00 0.00 0.00 0.00 179.25 179.46 2mev h ALA 96 N 0.73 1.26 0.30 0.00 0.00 -0.84 -0.98 119.26 119.74 2mev h ALA 96 Ca 0.06 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 2mev h ALA 96 Cb 0.84 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.49 2mev h ALA 96 CO 0.07 0.49 -0.15 1.25 0.00 0.00 0.00 179.25 180.91 2mev h LEU 97 N 0.48 -0.35 -1.51 0.00 6.46 -0.02 -3.32 115.31 117.05 2mev h LEU 97 Ca 0.09 -0.16 0.20 0.00 -0.12 0.00 0.00 57.88 57.89 2mev h LEU 97 Cb 0.47 0.09 -0.07 0.00 -0.73 0.00 0.00 40.66 40.42 2mev h LEU 97 CO 0.03 0.12 0.59 0.28 -0.62 0.00 0.00 178.44 178.84 2mev h SER 98 N -0.98 0.41 0.14 1.25 0.02 -0.84 -1.94 113.55 111.61 2mev h SER 98 Ca -0.04 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2mev h SER 98 Cb 0.49 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.00 2mev h SER 98 CO 0.07 0.16 0.00 -2.11 -1.14 0.00 0.00 176.83 173.81 2mev n ARG 99 N -4.51 0.06 -0.31 3.45 1.85 -0.38 -1.44 116.66 115.38 2mev n ARG 99 Ca 0.19 0.29 0.11 0.00 -1.00 0.00 0.00 57.85 57.44 2mev n ARG 99 Cb 0.69 -1.50 0.29 0.00 -1.05 0.00 0.00 32.46 30.89 2mev n ARG 99 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 2mev n ASN 100 N -1.36 3.54 -4.30 2.89 3.02 -0.73 -3.71 115.26 114.62 2mev n ASN 100 Ca 0.02 -1.99 -0.16 0.00 -0.03 0.00 0.00 54.58 52.42 2mev n ASN 100 Cb 0.05 -0.40 -0.10 0.00 -0.61 0.00 0.00 39.78 38.72 2mev n ASN 100 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 2mev s PHE 101 N -1.19 1.45 -0.11 3.10 0.40 -0.52 -0.22 117.98 120.89 2mev s PHE 101 Ca 0.44 -0.79 -0.05 0.00 -0.60 0.00 0.00 56.93 55.93 2mev s PHE 101 Cb 0.23 -0.77 -0.26 0.00 0.51 0.00 0.00 43.02 42.73 2mev s PHE 101 CO 0.31 0.08 0.42 0.00 0.70 0.00 0.00 175.22 176.74 2mev h ALA 102 N 2.63 0.45 -2.34 5.36 0.00 -0.52 -3.43 119.26 121.41 2mev h ALA 102 Ca -0.37 -1.38 -0.19 0.00 0.00 0.00 0.00 54.91 52.96 2mev h ALA 102 Cb 1.21 0.67 -0.16 0.00 0.00 0.00 0.00 17.79 19.51 2mev h ALA 102 CO 0.64 1.33 -0.69 -0.65 0.00 0.00 0.00 179.25 179.87 2mev s GLN 103 N -2.56 0.72 0.21 0.00 -0.21 -1.04 -0.55 119.66 116.22 2mev s GLN 103 Ca -0.20 -1.23 0.02 0.00 0.02 0.00 0.00 55.36 53.97 2mev s GLN 103 Cb 0.07 -0.07 -0.05 0.00 1.00 0.00 0.00 33.01 33.96 2mev s GLN 103 CO 0.78 -0.04 0.03 1.52 -2.12 0.00 0.00 175.29 175.46 2mev s TYR 104 N -3.45 1.36 -0.10 0.91 1.13 -0.13 -1.18 117.35 115.89 2mev s TYR 104 Ca 0.07 -1.06 -0.27 0.00 -1.41 0.00 0.00 57.07 54.40 2mev s TYR 104 Cb 0.04 -0.78 0.06 0.00 -1.10 0.00 0.00 41.96 40.18 2mev s TYR 104 CO -0.06 -0.24 0.63 0.50 -2.51 0.00 0.00 175.55 173.87 2mev s ARG 105 N -3.95 0.93 0.00 -3.49 3.52 -0.81 -1.27 118.95 113.88 2mev s ARG 105 Ca 0.29 0.40 0.00 0.00 -0.13 0.00 0.00 55.73 56.29 2mev s ARG 105 Cb 0.07 0.44 0.00 0.00 -1.56 0.00 0.00 34.95 33.90 2mev s ARG 105 CO 0.08 -0.24 0.00 0.41 -0.81 0.00 0.00 175.30 174.73 2mev n GLY 106 N 1.48 -1.50 3.75 8.12 0.00 -1.26 -1.47 105.19 114.31 2mev n GLY 106 Ca -0.18 -2.17 -0.40 0.00 0.00 0.00 0.00 46.02 43.27 2mev n GLY 106 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2mev s SER 107 N -2.62 7.53 -0.13 1.61 0.01 -1.26 -4.38 113.70 114.46 2mev s SER 107 Ca 0.00 1.81 -0.03 0.00 1.31 0.00 0.00 55.95 59.04 2mev s SER 107 Cb 0.00 -2.57 -0.03 0.00 0.21 0.00 0.00 66.02 63.63 2mev s SER 107 CO 0.00 0.09 -0.02 -0.76 0.41 0.00 0.00 173.24 172.96 2mev s LEU 108 N -0.75 3.37 -0.23 2.44 1.43 -1.18 -0.36 118.68 123.40 2mev s LEU 108 Ca 0.42 -0.04 0.00 0.00 -1.03 0.00 0.00 54.13 53.48 2mev s LEU 108 Cb -0.24 -1.80 0.03 0.00 0.03 0.00 0.00 46.19 44.21 2mev s LEU 108 CO 0.30 0.24 -0.11 -0.69 0.23 0.00 0.00 176.35 176.32 2mev s VAL 109 N -0.04 2.51 -0.37 -1.59 1.01 -0.01 -0.73 120.40 121.18 2mev s VAL 109 Ca 0.02 -1.16 -0.19 0.00 0.00 0.00 0.00 61.98 60.66 2mev s VAL 109 Cb -0.13 -2.27 0.00 0.00 0.00 0.00 0.00 36.38 33.98 2mev s VAL 109 CO 0.02 0.22 0.54 -0.31 0.00 0.00 0.00 175.10 175.57 2mev s TYR 110 N 1.26 3.16 -0.17 5.22 1.51 -0.70 -0.58 117.35 127.05 2mev s TYR 110 Ca -0.01 0.10 -0.05 0.00 -1.01 0.00 0.00 57.07 56.10 2mev s TYR 110 Cb -0.17 -3.01 -0.03 0.00 -0.11 0.00 0.00 41.96 38.64 2mev s TYR 110 CO -0.07 -0.61 0.00 0.99 -1.11 0.00 0.00 175.55 174.75 2mev s THR 111 N 2.46 4.23 -0.16 -0.71 2.01 0.13 -1.05 115.64 122.56 2mev s THR 111 Ca 0.19 -0.24 -0.02 0.00 0.31 0.00 0.00 61.69 61.94 2mev s THR 111 Cb -0.15 -2.88 -0.02 0.00 0.01 0.00 0.00 72.50 69.46 2mev s THR 111 CO 0.14 0.48 -0.09 -0.36 -0.69 0.00 0.00 174.62 174.10 2mev s PHE 112 N 0.40 2.90 -0.27 4.92 0.08 0.16 -0.59 117.98 125.58 2mev s PHE 112 Ca -0.01 -0.62 -0.04 0.00 0.12 0.00 0.00 56.93 56.38 2mev s PHE 112 Cb -0.14 -1.93 0.02 0.00 -0.57 0.00 0.00 43.02 40.40 2mev s PHE 112 CO 0.02 -0.24 0.00 0.08 -0.10 0.00 0.00 175.22 174.98 2mev s VAL 113 N 0.60 3.38 0.05 -0.44 1.01 -0.28 -0.84 120.40 123.88 2mev s VAL 113 Ca -0.05 -0.87 -0.30 0.00 0.00 0.00 0.00 61.98 60.76 2mev s VAL 113 Cb -0.15 -2.73 -0.05 0.00 0.00 0.00 0.00 36.38 33.45 2mev s VAL 113 CO 0.03 0.15 1.18 0.12 0.00 0.00 0.00 175.10 176.57 2mev s PHE 114 N 1.41 3.44 -0.51 5.22 2.19 -0.32 -1.72 117.98 127.69 2mev s PHE 114 Ca 0.01 1.33 0.05 0.00 0.33 0.00 0.00 56.93 58.66 2mev s PHE 114 Cb -0.17 -3.39 0.13 0.00 -1.31 0.00 0.00 43.02 38.28 2mev s PHE 114 CO -0.01 -1.16 1.02 2.41 1.83 0.00 0.00 175.22 179.31 2mev n THR 115 N 3.97 0.76 -0.72 0.12 -1.04 -0.38 -4.92 114.28 112.08 2mev n THR 115 Ca 0.09 -0.88 0.00 0.00 -2.04 0.00 0.00 64.05 61.22 2mev n THR 115 Cb 0.47 0.65 0.00 0.00 -1.82 0.00 0.00 70.33 69.62 2mev n THR 115 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2mev n GLY 116 N 0.07 -1.85 3.74 3.41 0.00 -1.24 -4.71 105.19 104.61 2mev n GLY 116 Ca 0.05 -1.55 -0.32 0.00 0.00 0.00 0.00 46.02 44.20 2mev n GLY 116 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2mev s THR 117 N -1.00 2.88 0.06 2.61 2.01 -1.26 -4.96 115.64 115.97 2mev s THR 117 Ca 0.00 0.35 0.20 0.00 0.31 0.00 0.00 61.69 62.56 2mev s THR 117 Cb 0.00 -2.79 0.17 0.00 0.01 0.00 0.00 72.50 69.89 2mev s THR 117 CO 0.00 -0.31 1.70 0.00 -0.69 0.00 0.00 174.62 175.32 2mev h ALA 118 N -0.70 0.93 0.00 7.40 0.00 -2.01 -2.88 119.26 122.00 2mev h ALA 118 Ca -0.45 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.16 2mev h ALA 118 Cb 1.26 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.99 2mev h ALA 118 CO 0.50 0.41 0.00 0.52 0.00 0.00 0.00 179.25 180.68 2mev h MET 119 N 0.00 0.00 -7.18 0.00 2.86 -1.97 -3.45 114.93 105.19 2mev h MET 119 Ca -0.00 0.00 -0.49 0.00 -2.06 0.00 0.00 59.70 57.15 2mev h MET 119 Cb 0.95 0.00 0.03 0.00 0.06 0.00 0.00 31.60 32.64 2mev h MET 119 CO 0.04 0.00 0.34 -1.64 1.06 0.00 0.00 176.91 176.71 2mev s MET 120 N -3.43 3.80 0.05 1.72 1.00 -1.09 -4.55 119.30 116.81 2mev s MET 120 Ca 0.04 0.79 0.02 0.00 0.00 0.00 0.00 55.69 56.54 2mev s MET 120 Cb 0.08 -2.17 -0.03 0.00 0.00 0.00 0.00 34.83 32.72 2mev s MET 120 CO 0.56 -0.32 -0.06 0.15 0.00 0.00 0.00 175.02 175.34 2mev s LYS 121 N -4.39 0.57 0.00 2.03 3.01 -0.89 -4.84 119.74 115.23 2mev s LYS 121 Ca 0.56 -0.90 0.00 0.00 -1.01 0.00 0.00 55.97 54.62 2mev s LYS 121 Cb -0.10 -0.18 0.00 0.00 -1.01 0.00 0.00 37.83 36.54 2mev s LYS 121 CO 0.38 0.01 0.00 0.41 0.51 0.00 0.00 175.35 176.66 2mev n GLY 122 N 1.04 1.13 2.85 -3.33 0.00 -1.26 -0.72 105.19 104.89 2mev n GLY 122 Ca -0.20 -0.89 -0.15 0.00 0.00 0.00 0.00 46.02 44.79 2mev n GLY 122 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2mev s LYS 123 N -2.00 0.16 0.17 1.61 1.02 -1.24 -1.93 119.74 117.53 2mev s LYS 123 Ca 0.00 0.02 0.09 0.00 0.02 0.00 0.00 55.97 56.10 2mev s LYS 123 Cb 0.00 -0.27 -0.04 0.00 -0.52 0.00 0.00 37.83 37.00 2mev s LYS 123 CO 0.00 -0.05 -0.11 -0.06 -0.92 0.00 0.00 175.35 174.21 2mev s PHE 124 N 0.49 2.63 -0.25 3.18 0.40 0.25 -0.61 117.98 124.08 2mev s PHE 124 Ca -0.04 -0.22 -0.02 0.00 -0.60 0.00 0.00 56.93 56.04 2mev s PHE 124 Cb -0.07 -1.31 0.02 0.00 0.51 0.00 0.00 43.02 42.18 2mev s PHE 124 CO -0.01 0.49 -0.05 -1.17 0.70 0.00 0.00 175.22 175.18 2mev s LEU 125 N -2.69 3.20 -0.22 -0.37 0.20 -0.01 -0.49 118.68 118.29 2mev s LEU 125 Ca 0.24 -0.81 -0.06 0.00 0.69 0.00 0.00 54.13 54.19 2mev s LEU 125 Cb -0.09 -1.69 -0.02 0.00 -0.43 0.00 0.00 46.19 43.96 2mev s LEU 125 CO 0.14 -0.12 0.02 -0.63 -0.29 0.00 0.00 176.35 175.47 2mev s ILE 126 N 1.35 4.00 0.10 6.68 1.01 -0.42 -0.75 121.20 133.17 2mev s ILE 126 Ca 0.01 -0.29 0.07 0.00 0.00 0.00 0.00 60.65 60.44 2mev s ILE 126 Cb -0.16 -2.84 -0.03 0.00 0.01 0.00 0.00 42.46 39.44 2mev s ILE 126 CO -0.04 0.39 -0.16 0.00 0.00 0.00 0.00 174.94 175.13 2mev s ALA 127 N 1.32 1.53 -0.20 9.38 0.00 -0.45 -1.04 121.76 132.29 2mev s ALA 127 Ca 0.04 -1.20 -0.02 0.00 0.00 0.00 0.00 51.96 50.78 2mev s ALA 127 Cb -0.15 -0.14 0.00 0.00 0.00 0.00 0.00 23.12 22.83 2mev s ALA 127 CO 0.01 0.21 -0.11 -0.47 0.00 0.00 0.00 175.76 175.41 2mev s TYR 128 N -1.57 2.88 -0.29 0.00 5.04 0.10 -0.73 117.35 122.79 2mev s TYR 128 Ca 0.05 -1.18 -0.04 0.00 -2.44 0.00 0.00 57.07 53.46 2mev s TYR 128 Cb -0.08 -2.02 0.03 0.00 0.35 0.00 0.00 41.96 40.23 2mev s TYR 128 CO 0.03 -0.62 0.03 0.99 -1.34 0.00 0.00 175.55 174.64 2mev s THR 129 N 1.34 3.43 0.78 4.34 2.01 -0.26 -2.40 115.64 124.87 2mev s THR 129 Ca 0.04 -0.98 -0.13 0.00 0.31 0.00 0.00 61.69 60.94 2mev s THR 129 Cb -0.14 -2.82 0.07 0.00 0.01 0.00 0.00 72.50 69.62 2mev s THR 129 CO -0.06 0.05 1.15 -2.16 -0.69 0.00 0.00 174.62 172.90 2mev s PRO 130 N 1.39 1.98 1.09 4.92 0.05 -1.26 -1.85 135.00 141.31 2mev s PRO 130 Ca -0.00 1.51 -0.15 0.00 0.05 0.00 0.00 61.00 62.40 2mev s PRO 130 Cb -0.18 -1.84 0.23 0.00 0.05 0.00 0.00 34.50 32.76 2mev s PRO 130 CO -0.00 -1.91 1.11 -1.25 0.05 0.00 0.00 177.00 175.00 2mev s PRO 131 N -4.36 -0.28 0.00 0.56 0.04 -1.26 -4.60 135.00 125.10 2mev s PRO 131 Ca 0.68 0.22 0.00 0.00 0.04 0.00 0.00 61.00 61.94 2mev s PRO 131 Cb -0.23 -1.68 0.00 0.00 0.04 0.00 0.00 34.50 32.63 2mev s PRO 131 CO 0.50 -3.15 0.00 0.41 0.04 0.00 0.00 177.00 174.81 2mev n GLY 132 N -1.14 3.41 0.14 0.56 0.00 -1.26 -4.86 105.19 102.03 2mev n GLY 132 Ca 0.09 -1.05 0.09 0.00 0.00 0.00 0.00 46.02 45.14 2mev n GLY 132 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2mev n ALA 133 N 0.00 2.26 -0.20 4.61 0.00 -1.26 -5.12 120.51 120.79 2mev n ALA 133 Ca 0.00 -2.45 0.03 0.00 0.00 0.00 0.00 53.44 51.02 2mev n ALA 133 Cb 0.00 -0.39 -0.01 0.00 0.00 0.00 0.00 19.45 19.05 2mev n ALA 133 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2mev n GLY 134 N -1.26 -1.87 3.82 0.00 0.00 -1.26 -4.87 105.19 99.75 2mev n GLY 134 Ca 0.14 -1.45 -0.33 0.00 0.00 0.00 0.00 46.02 44.37 2mev n GLY 134 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2mev s LYS 135 N -1.93 4.24 0.50 1.61 -2.85 -1.26 -4.95 119.74 115.10 2mev s LYS 135 Ca 0.00 1.14 -0.21 0.00 -1.00 0.00 0.00 55.97 55.90 2mev s LYS 135 Cb 0.00 -2.21 -0.07 0.00 -2.06 0.00 0.00 37.83 33.49 2mev s LYS 135 CO 0.00 -0.03 1.12 -1.25 0.10 0.00 0.00 175.35 175.30 2mev s PRO 136 N -3.12 3.59 0.00 1.78 0.04 -1.26 -4.97 135.00 131.06 2mev s PRO 136 Ca 0.62 1.62 0.10 0.00 0.04 0.00 0.00 61.00 63.37 2mev s PRO 136 Cb -0.10 -2.17 0.07 0.00 0.04 0.00 0.00 34.50 32.34 2mev s PRO 136 CO 0.14 -0.66 0.79 0.25 0.04 0.00 0.00 177.00 177.56 2mev n THR 137 N -0.94 0.00 -3.61 1.26 -2.24 -1.26 -4.95 114.28 102.54 2mev n THR 137 Ca 0.10 -0.49 -0.11 0.00 -2.27 0.00 0.00 64.05 61.28 2mev n THR 137 Cb 0.50 1.20 -0.04 0.00 -2.10 0.00 0.00 70.33 69.89 2mev n THR 137 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2mev s SER 138 N -0.90 -0.28 0.54 3.42 1.04 -1.26 -4.73 113.70 111.54 2mev s SER 138 Ca 0.11 -0.27 0.20 0.00 0.48 0.00 0.00 55.95 56.48 2mev s SER 138 Cb 0.08 0.49 1.45 0.00 0.10 0.00 0.00 66.02 68.14 2mev s SER 138 CO 0.14 -0.86 2.18 -0.09 0.98 0.00 0.00 173.24 175.59 2mev h ARG 139 N 2.33 0.00 -0.05 4.02 2.43 -0.64 -0.92 114.38 121.55 2mev h ARG 139 Ca -0.34 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 58.77 2mev h ARG 139 Cb 1.26 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.80 2mev h ARG 139 CO 0.46 0.00 -0.27 -0.44 -1.51 0.00 0.00 179.97 178.21 2mev h ASP 140 N 0.00 0.09 0.62 -3.80 5.19 -1.96 -0.24 116.42 116.32 2mev h ASP 140 Ca 0.00 -0.02 -0.27 0.00 -0.62 0.00 0.00 57.03 56.12 2mev h ASP 140 Cb 0.01 -0.02 -0.04 0.00 0.18 0.00 0.00 39.33 39.45 2mev h ASP 140 CO -0.00 0.36 -1.50 1.56 -3.12 0.00 0.00 179.24 176.54 2mev h GLN 141 N 0.08 0.03 -0.52 3.56 4.20 -1.58 -3.34 115.11 117.55 2mev h GLN 141 Ca 0.01 -0.05 -0.11 0.00 0.06 0.00 0.00 58.65 58.56 2mev h GLN 141 Cb 0.52 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.30 2mev h GLN 141 CO 0.04 0.71 -0.10 0.00 -0.67 0.00 0.00 178.83 178.81 2mev h ALA 142 N 0.93 0.71 0.00 3.87 0.00 -0.92 -2.61 119.26 121.23 2mev h ALA 142 Ca -0.21 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.36 2mev h ALA 142 Cb 1.95 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.55 2mev h ALA 142 CO 0.10 0.61 0.02 -0.12 0.00 0.00 0.00 179.25 179.86 2mev n MET 143 N -4.20 0.00 0.05 0.00 0.00 -0.14 -1.21 117.12 111.62 2mev n MET 143 Ca 0.01 0.42 0.12 0.00 -0.00 0.00 0.00 57.70 58.25 2mev n MET 143 Cb 0.39 -1.52 0.27 0.00 0.00 0.00 0.00 33.22 32.36 2mev n MET 143 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 175.97 177.01 2mev n GLN 144 N -1.42 0.19 -0.77 2.12 1.13 -0.98 -4.88 117.38 112.77 2mev n GLN 144 Ca 0.00 0.08 0.00 0.00 -1.94 0.00 0.00 57.00 55.14 2mev n GLN 144 Cb 0.02 -1.64 0.00 0.00 0.11 0.00 0.00 30.24 28.72 2mev n GLN 144 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2mev n ALA 145 N -1.72 0.00 -2.13 -1.58 0.00 -0.35 -5.07 120.51 109.66 2mev n ALA 145 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.06 2mev n ALA 145 Cb 0.40 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.83 2mev n ALA 145 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2mev s THR 146 N 0.96 3.53 0.20 0.00 2.01 -1.01 -4.92 115.64 116.41 2mev s THR 146 Ca 0.00 0.92 -0.17 0.00 0.31 0.00 0.00 61.69 62.75 2mev s THR 146 Cb 0.00 -3.59 0.02 0.00 0.01 0.00 0.00 72.50 68.95 2mev s THR 146 CO 0.00 -0.01 0.52 -0.72 -0.69 0.00 0.00 174.62 173.72 2mev s TYR 147 N 2.56 -0.08 0.04 4.92 1.13 -1.26 0.02 117.35 124.68 2mev s TYR 147 Ca 0.67 -0.27 0.03 0.00 -1.41 0.00 0.00 57.07 56.10 2mev s TYR 147 Cb -0.34 0.37 -0.02 0.00 -1.10 0.00 0.00 41.96 40.88 2mev s TYR 147 CO 0.28 -0.92 -0.11 0.00 -2.51 0.00 0.00 175.55 172.29 2mev s ALA 148 N -3.88 0.85 -0.22 9.51 0.00 -0.21 -4.99 121.76 122.81 2mev s ALA 148 Ca 0.10 -0.78 -0.08 0.00 0.00 0.00 0.00 51.96 51.20 2mev s ALA 148 Cb -0.01 -0.06 -0.04 0.00 0.00 0.00 0.00 23.12 23.01 2mev s ALA 148 CO -0.02 0.10 0.09 0.42 0.00 0.00 0.00 175.76 176.35 2mev s ILE 149 N -1.10 4.76 -0.28 0.00 1.01 -1.26 -1.31 121.20 123.03 2mev s ILE 149 Ca -0.04 -0.03 -0.07 0.00 0.00 0.00 0.00 60.65 60.51 2mev s ILE 149 Cb -0.09 -3.20 -0.01 0.00 0.01 0.00 0.00 42.46 39.18 2mev s ILE 149 CO 0.01 0.38 0.08 0.86 0.00 0.00 0.00 174.94 176.27 2mev s TRP 150 N 1.01 3.12 -0.14 3.97 -0.00 0.35 -4.94 118.94 122.31 2mev s TRP 150 Ca 0.05 -0.69 -0.12 0.00 -0.00 0.00 0.00 56.10 55.33 2mev s TRP 150 Cb -0.14 -2.26 -0.05 0.00 -0.00 0.00 0.00 33.47 31.03 2mev s TRP 150 CO 0.03 -0.47 0.26 0.34 -0.00 0.00 0.00 176.95 177.11 2mev s ASP 151 N 1.56 6.44 0.30 5.86 3.68 -1.26 -0.58 116.67 132.67 2mev s ASP 151 Ca 0.05 0.51 -0.27 0.00 2.13 0.00 0.00 52.55 54.97 2mev s ASP 151 Cb -0.16 -2.16 -0.10 0.00 -1.45 0.00 0.00 42.92 39.05 2mev s ASP 151 CO 0.03 0.18 0.94 -0.76 0.13 0.00 0.00 175.17 175.69 2mev s LEU 152 N 0.08 4.43 0.00 -1.34 1.02 -0.81 -4.99 118.68 117.06 2mev s LEU 152 Ca 0.16 1.87 0.00 0.00 0.02 0.00 0.00 54.13 56.18 2mev s LEU 152 Cb -0.13 -3.90 0.00 0.00 0.02 0.00 0.00 46.19 42.18 2mev s LEU 152 CO 0.04 -0.00 0.00 0.61 0.02 0.00 0.00 176.35 177.02 2mev n GLY 153 N 0.82 -0.77 0.37 -3.19 0.00 -1.26 -4.69 105.19 96.47 2mev n GLY 153 Ca 0.01 -0.32 0.11 0.00 0.00 0.00 0.00 46.02 45.82 2mev n GLY 153 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2mev h LEU 154 N 0.00 0.74 -9.05 0.99 5.85 -1.97 -3.39 115.31 108.47 2mev h LEU 154 Ca 0.00 0.05 -0.59 0.00 0.84 0.00 0.00 57.88 58.18 2mev h LEU 154 Cb 0.00 -0.09 -0.09 0.00 0.37 0.00 0.00 40.66 40.85 2mev h LEU 154 CO 0.00 0.36 0.43 0.20 -0.34 0.00 0.00 178.44 179.09 2mev s ASN 155 N -5.68 6.83 0.15 1.25 -0.87 -1.26 -5.00 114.94 110.36 2mev s ASN 155 Ca -0.11 1.03 -0.12 0.00 -1.57 0.00 0.00 52.86 52.09 2mev s ASN 155 Cb 0.23 -2.43 0.02 0.00 -0.02 0.00 0.00 41.25 39.05 2mev s ASN 155 CO 0.80 -0.48 1.62 0.77 -2.57 0.00 0.00 177.10 177.23 2mev h SER 156 N 7.63 0.84 -0.42 -1.22 4.64 -1.93 -3.48 113.55 119.62 2mev h SER 156 Ca -0.24 -0.29 -0.64 0.00 -0.47 0.00 0.00 61.79 60.15 2mev h SER 156 Cb 1.10 -0.23 -0.09 0.00 -0.31 0.00 0.00 62.40 62.87 2mev h SER 156 CO 0.86 0.92 -0.41 -0.44 -0.87 0.00 0.00 176.83 176.89 2mev s SER 157 N -6.32 4.37 -0.07 4.97 0.01 -1.26 -1.18 113.70 114.22 2mev s SER 157 Ca -0.12 -1.47 -0.03 0.00 1.31 0.00 0.00 55.95 55.63 2mev s SER 157 Cb 0.12 0.50 0.04 0.00 0.21 0.00 0.00 66.02 66.89 2mev s SER 157 CO 0.82 -0.99 0.15 -0.47 0.41 0.00 0.00 173.24 173.16 2mev s TYR 158 N -2.83 -0.17 -0.41 2.43 6.14 -0.02 -4.97 117.35 117.52 2mev s TYR 158 Ca 0.18 0.51 -0.09 0.00 0.64 0.00 0.00 57.07 58.31 2mev s TYR 158 Cb -0.00 -0.10 0.07 0.00 0.42 0.00 0.00 41.96 42.34 2mev s TYR 158 CO 0.11 -0.18 0.24 -1.12 0.64 0.00 0.00 175.55 175.24 2mev s SER 159 N 1.30 5.62 -0.25 4.32 0.01 -1.26 -0.66 113.70 122.77 2mev s SER 159 Ca -0.08 -1.40 -0.13 0.00 1.31 0.00 0.00 55.95 55.65 2mev s SER 159 Cb -0.12 -1.98 -0.04 0.00 0.21 0.00 0.00 66.02 64.09 2mev s SER 159 CO -0.06 -0.50 0.29 0.12 0.41 0.00 0.00 173.24 173.50 2mev s PHE 160 N 1.44 3.28 -0.22 2.43 2.19 -0.21 -4.98 117.98 121.92 2mev s PHE 160 Ca 0.02 0.34 -0.08 0.00 0.33 0.00 0.00 56.93 57.55 2mev s PHE 160 Cb -0.22 -2.45 -0.04 0.00 -1.31 0.00 0.00 43.02 39.00 2mev s PHE 160 CO 0.03 -0.10 0.07 0.99 1.83 0.00 0.00 175.22 178.04 2mev s THR 161 N 1.60 4.63 -0.23 0.12 2.01 -1.26 -1.72 115.64 120.80 2mev s THR 161 Ca 0.12 -0.08 -0.20 0.00 0.31 0.00 0.00 61.69 61.85 2mev s THR 161 Cb -0.15 -3.13 -0.02 0.00 0.01 0.00 0.00 72.50 69.21 2mev s THR 161 CO 0.08 0.40 0.58 0.68 -0.69 0.00 0.00 174.62 175.67 2mev s VAL 162 N 0.96 5.04 0.35 3.82 -7.23 0.09 -4.97 120.40 118.46 2mev s VAL 162 Ca 0.04 1.06 -0.28 0.00 -1.81 0.00 0.00 61.98 60.99 2mev s VAL 162 Cb -0.14 -3.90 -0.10 0.00 0.56 0.00 0.00 36.38 32.80 2mev s VAL 162 CO 0.03 0.09 1.33 -2.84 -0.31 0.00 0.00 175.10 173.40 2mev s PRO 163 N 2.13 4.25 -0.66 4.82 0.02 -1.26 -3.13 135.00 141.17 2mev s PRO 163 Ca 0.25 2.26 -0.27 0.00 0.02 0.00 0.00 61.00 63.27 2mev s PRO 163 Cb -0.16 -3.00 0.00 0.00 0.02 0.00 0.00 34.50 31.37 2mev s PRO 163 CO 0.09 -0.29 1.62 0.12 -0.33 0.00 0.00 177.00 178.21 2mev s PHE 164 N -1.16 1.93 -0.30 6.54 2.19 -1.26 -4.93 117.98 120.99 2mev s PHE 164 Ca 0.51 0.45 -0.03 0.00 0.33 0.00 0.00 56.93 58.19 2mev s PHE 164 Cb -0.40 -4.31 0.04 0.00 -1.31 0.00 0.00 43.02 37.04 2mev s PHE 164 CO 0.54 -2.21 0.01 0.42 1.83 0.00 0.00 175.22 175.80 2mev s ILE 165 N 7.64 3.12 -0.07 3.12 1.01 -1.26 -4.99 121.20 129.78 2mev s ILE 165 Ca 0.54 -1.26 -0.24 0.00 0.00 0.00 0.00 60.65 59.69 2mev s ILE 165 Cb -0.11 -2.75 0.05 0.00 0.01 0.00 0.00 42.46 39.66 2mev s ILE 165 CO 0.19 -0.06 0.54 -0.55 0.00 0.00 0.00 174.94 175.06 2mev s SER 166 N 1.30 -0.50 0.19 3.58 0.15 -1.26 -5.01 113.70 112.15 2mev s SER 166 Ca -0.04 0.59 -0.04 0.00 0.70 0.00 0.00 55.95 57.16 2mev s SER 166 Cb -0.19 0.57 0.11 0.00 -1.71 0.00 0.00 66.02 64.81 2mev s SER 166 CO -0.01 -0.49 1.53 1.55 1.20 0.00 0.00 173.24 177.02 2mev h PRO 167 N 3.65 0.65 -6.26 5.44 0.13 -1.97 -3.44 132.00 130.19 2mev h PRO 167 Ca -0.28 -0.36 -0.52 0.00 -0.87 0.00 0.00 66.00 63.96 2mev h PRO 167 Cb 1.16 0.02 -0.02 0.00 0.13 0.00 0.00 31.00 32.30 2mev h PRO 167 CO 0.35 0.97 -0.32 0.95 -0.23 0.00 0.00 178.00 179.73 2mev s THR 168 N -4.17 5.19 0.38 1.56 -4.23 -1.26 -4.99 115.64 108.11 2mev s THR 168 Ca -0.08 -0.40 0.06 0.00 -1.18 0.00 0.00 61.69 60.09 2mev s THR 168 Cb 0.12 -3.76 0.21 0.00 1.34 0.00 0.00 72.50 70.41 2mev s THR 168 CO 0.84 -0.23 1.97 0.45 -0.54 0.00 0.00 174.62 177.11 2mev h HIS 169 N 1.79 0.50 -3.40 3.99 3.86 -1.98 -3.43 115.15 116.48 2mev h HIS 169 Ca -0.48 -0.02 -0.34 0.00 -1.16 0.00 0.00 60.37 58.36 2mev h HIS 169 Cb 1.20 -0.16 -0.14 0.00 1.06 0.00 0.00 27.41 29.36 2mev h HIS 169 CO 0.54 0.41 -0.68 -0.06 0.86 0.00 0.00 177.93 179.00 2mev s PHE 170 N -5.21 1.39 0.03 2.45 0.08 -1.26 -4.81 117.98 110.64 2mev s PHE 170 Ca -0.08 -0.86 0.07 0.00 0.12 0.00 0.00 56.93 56.19 2mev s PHE 170 Cb 0.16 -0.76 -0.02 0.00 -0.57 0.00 0.00 43.02 41.83 2mev s PHE 170 CO 0.74 -0.00 -0.22 1.03 -0.10 0.00 0.00 175.22 176.67 2mev s ARG 171 N -3.82 1.58 0.35 0.44 0.52 -0.40 -4.98 118.95 112.64 2mev s ARG 171 Ca 0.23 -0.92 -0.29 0.00 -0.52 0.00 0.00 55.73 54.23 2mev s ARG 171 Cb 0.04 -1.65 -0.11 0.00 0.52 0.00 0.00 34.95 33.76 2mev s ARG 171 CO 0.04 0.43 1.43 1.41 0.02 0.00 0.00 175.30 178.64 2mev s MET 172 N -0.98 4.20 -0.02 3.54 1.75 -1.26 -0.95 119.30 125.58 2mev s MET 172 Ca 0.08 2.44 -0.10 0.00 -1.25 0.00 0.00 55.69 56.87 2mev s MET 172 Cb -0.09 -3.01 -0.06 0.00 2.84 0.00 0.00 34.83 34.51 2mev s MET 172 CO 0.01 -0.42 0.58 0.28 -0.65 0.00 0.00 175.02 174.82 2mev h VAL 173 N 3.06 0.00 -2.86 10.11 2.07 -1.09 -3.45 116.25 124.10 2mev h VAL 173 Ca -0.50 -0.34 -0.52 0.00 0.82 0.00 0.00 66.70 66.16 2mev h VAL 173 Cb 1.23 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 2mev h VAL 173 CO 0.67 0.00 -0.29 -0.83 0.02 0.00 0.00 177.57 177.14 2mev s GLY 174 N -2.36 1.72 -0.01 2.17 0.00 -1.26 -4.03 107.32 103.55 2mev s GLY 174 Ca -0.05 -0.82 -0.12 0.00 0.00 0.00 0.00 44.72 43.73 2mev s GLY 174 CO 0.16 -0.76 0.34 -1.08 0.00 0.00 0.00 173.10 171.76 2mev s THR 175 N -1.96 5.16 -0.32 0.90 -1.32 -1.26 -5.06 115.64 111.77 2mev s THR 175 Ca 0.39 0.60 -0.08 0.00 -1.21 0.00 0.00 61.69 61.39 2mev s THR 175 Cb -0.11 -3.63 0.01 0.00 -1.51 0.00 0.00 72.50 67.27 2mev s THR 175 CO 0.30 0.53 0.13 -0.62 -2.21 0.00 0.00 174.62 172.74 2mev s ASP 176 N -1.22 5.37 0.36 8.08 3.68 -1.26 -4.82 116.67 126.87 2mev s ASP 176 Ca 0.24 -0.72 0.00 0.00 2.13 0.00 0.00 52.55 54.19 2mev s ASP 176 Cb -0.15 -1.94 0.00 0.00 -1.45 0.00 0.00 42.92 39.38 2mev s ASP 176 CO 0.12 -0.23 0.00 0.00 0.13 0.00 0.00 175.17 175.19 2mev n GLN 177 N 4.92 0.00 -3.56 4.34 0.00 -1.26 -4.78 117.38 117.04 2mev n GLN 177 Ca -0.14 0.00 -0.14 0.00 0.00 0.00 0.00 57.00 56.72 2mev n GLN 177 Cb 0.48 0.00 -0.06 0.00 0.00 0.00 0.00 30.24 30.66 2mev n GLN 177 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2mev s ALA 178 N -1.27 -1.84 -0.42 2.61 0.00 -1.26 -5.10 121.76 114.47 2mev s ALA 178 Ca 0.00 1.51 0.00 0.00 0.00 0.00 0.00 51.96 53.48 2mev s ALA 178 Cb 0.00 -0.45 0.39 0.00 0.00 0.00 0.00 23.12 23.07 2mev s ALA 178 CO 0.00 -0.34 1.88 0.09 0.00 0.00 0.00 175.76 177.39 2mev n ASN 179 N 1.10 5.61 0.00 0.00 3.02 -1.26 -5.05 115.26 118.67 2mev n ASN 179 Ca -0.15 -3.31 0.00 0.00 -0.03 0.00 0.00 54.58 51.09 2mev n ASN 179 Cb 0.57 -0.91 0.00 0.00 -0.61 0.00 0.00 39.78 38.83 2mev n ASN 179 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 2mev n ILE 180 N -0.44 0.00 0.32 2.41 -0.00 -1.26 -1.98 119.36 118.41 2mev n ILE 180 Ca 0.45 0.00 0.09 0.00 -0.00 0.00 0.00 62.75 63.29 2mev n ILE 180 Cb 0.92 0.00 0.14 0.00 -0.00 0.00 0.00 39.64 40.70 2mev n ILE 180 CO 0.00 0.00 0.00 0.35 -0.00 0.00 0.00 176.55 176.90 2mev n THR 181 N 0.00 0.41 0.00 1.39 -2.24 -1.26 -4.86 114.28 107.72 2mev n THR 181 Ca 0.00 -0.71 0.00 0.00 -2.27 0.00 0.00 64.05 61.07 2mev n THR 181 Cb 0.00 1.01 0.00 0.00 -2.10 0.00 0.00 70.33 69.24 2mev n THR 181 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2mev n ASN 182 N 1.03 0.00 0.00 3.42 5.03 -0.84 -4.73 115.26 119.18 2mev n ASN 182 Ca 0.14 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.59 2mev n ASN 182 Cb 0.48 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.24 2mev n ASN 182 CO 0.00 0.00 0.00 1.33 -1.83 0.00 0.00 177.26 176.76 2mev n VAL 183 N 0.00 0.00 -1.78 2.41 0.24 -1.07 -2.79 118.33 115.34 2mev n VAL 183 Ca 0.00 0.00 -0.19 0.00 -2.04 0.00 0.00 64.34 62.11 2mev n VAL 183 Cb 0.00 0.00 0.08 0.00 -1.47 0.00 0.00 33.84 32.45 2mev n VAL 183 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 2mev n ASP 184 N -2.12 4.62 0.00 -1.34 8.00 -1.15 -4.91 116.55 119.66 2mev n ASP 184 Ca 0.00 -3.78 0.00 0.00 0.71 0.00 0.00 54.79 51.72 2mev n ASP 184 Cb 0.00 -0.51 0.00 0.00 -0.02 0.00 0.00 41.12 40.59 2mev n ASP 184 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2mev n GLY 185 N -0.85 -2.72 3.02 0.44 0.00 -1.12 -4.47 105.19 99.49 2mev n GLY 185 Ca 0.43 -2.12 -0.14 0.00 0.00 0.00 0.00 46.02 44.19 2mev n GLY 185 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2mev s TRP 186 N -0.52 0.58 -0.28 1.61 0.51 -0.77 -1.53 118.94 118.54 2mev s TRP 186 Ca 0.00 -0.32 -0.10 0.00 -2.12 0.00 0.00 56.10 53.55 2mev s TRP 186 Cb 0.00 -0.36 -0.04 0.00 -0.81 0.00 0.00 33.47 32.26 2mev s TRP 186 CO 0.00 -0.05 0.17 0.08 -0.51 0.00 0.00 176.95 176.64 2mev s VAL 187 N -0.84 5.06 0.01 4.03 1.01 -0.23 -1.10 120.40 128.34 2mev s VAL 187 Ca -0.05 0.01 0.09 0.00 0.00 0.00 0.00 61.98 62.03 2mev s VAL 187 Cb -0.07 -3.44 -0.02 0.00 0.00 0.00 0.00 36.38 32.85 2mev s VAL 187 CO 0.00 0.22 -0.26 0.42 0.00 0.00 0.00 175.10 175.48 2mev s THR 188 N 1.72 2.11 -0.16 3.92 -4.23 0.10 -0.92 115.64 118.17 2mev s THR 188 Ca 0.07 -1.25 -0.02 0.00 -1.18 0.00 0.00 61.69 59.31 2mev s THR 188 Cb -0.16 -1.77 -0.01 0.00 1.34 0.00 0.00 72.50 71.89 2mev s THR 188 CO 0.09 0.47 -0.10 -0.69 -0.54 0.00 0.00 174.62 173.86 2mev s VAL 189 N -0.71 3.22 0.16 2.29 1.01 -0.05 -1.34 120.40 124.97 2mev s VAL 189 Ca 0.11 -0.58 0.07 0.00 0.00 0.00 0.00 61.98 61.57 2mev s VAL 189 Cb -0.10 -2.39 -0.04 0.00 0.00 0.00 0.00 36.38 33.85 2mev s VAL 189 CO 0.01 0.50 -0.15 0.26 0.00 0.00 0.00 175.10 175.71 2mev s TRP 190 N 0.65 1.57 0.05 5.22 0.52 0.07 0.66 118.94 127.68 2mev s TRP 190 Ca -0.05 -0.56 -0.21 0.00 0.02 0.00 0.00 56.10 55.29 2mev s TRP 190 Cb -0.15 -0.78 -0.06 0.00 -1.15 0.00 0.00 33.47 31.33 2mev s TRP 190 CO 0.02 0.24 0.63 -0.65 0.02 0.00 0.00 176.95 177.22 2mev s GLN 191 N -3.07 4.34 -0.18 4.98 -0.21 -1.26 -0.83 119.66 123.43 2mev s GLN 191 Ca 0.15 0.84 -0.16 0.00 0.02 0.00 0.00 55.36 56.21 2mev s GLN 191 Cb -0.03 -3.30 -0.11 0.00 1.00 0.00 0.00 33.01 30.56 2mev s GLN 191 CO 0.05 0.47 0.00 -0.11 -2.12 0.00 0.00 175.29 173.58 2mev n LEU 192 N 2.27 1.84 -4.50 2.90 7.94 0.22 -4.73 117.00 122.94 2mev n LEU 192 Ca -0.07 0.52 -0.29 0.00 -1.11 0.00 0.00 56.01 55.05 2mev n LEU 192 Cb 0.50 -0.91 -0.11 0.00 0.53 0.00 0.00 43.42 43.43 2mev n LEU 192 CO 0.44 -0.07 -0.48 0.42 -1.11 0.00 0.00 177.39 176.59 2mev s THR 193 N -2.32 2.92 0.77 1.96 -4.23 -1.10 -4.92 115.64 108.72 2mev s THR 193 Ca -0.23 -1.49 -0.11 0.00 -1.18 0.00 0.00 61.69 58.68 2mev s THR 193 Cb 0.04 -2.35 0.05 0.00 1.34 0.00 0.00 72.50 71.58 2mev s THR 193 CO 0.41 0.09 1.08 -2.16 -0.54 0.00 0.00 174.62 173.50 2mev s PRO 194 N -2.20 2.33 0.06 3.99 0.04 -1.26 -3.65 135.00 134.32 2mev s PRO 194 Ca 0.19 1.01 -0.31 0.00 0.04 0.00 0.00 61.00 61.93 2mev s PRO 194 Cb -0.10 -1.92 -0.07 0.00 0.04 0.00 0.00 34.50 32.45 2mev s PRO 194 CO 0.11 -1.54 1.37 -1.17 0.04 0.00 0.00 177.00 175.80 2mev s LEU 195 N -5.83 4.35 0.16 -3.56 2.96 -0.65 -4.54 118.68 111.57 2mev s LEU 195 Ca 0.60 2.19 0.08 0.00 -0.22 0.00 0.00 54.13 56.79 2mev s LEU 195 Cb -0.16 -3.57 -0.04 0.00 0.50 0.00 0.00 46.19 42.91 2mev s LEU 195 CO 0.56 -0.65 -0.10 0.42 -1.32 0.00 0.00 176.35 175.25 2mev s THR 196 N 1.62 3.20 0.22 3.68 -4.23 0.10 -4.44 115.64 115.78 2mev s THR 196 Ca 0.63 -1.55 -0.20 0.00 -1.18 0.00 0.00 61.69 59.39 2mev s THR 196 Cb -0.34 -2.55 0.03 0.00 1.34 0.00 0.00 72.50 70.98 2mev s THR 196 CO 0.29 -0.04 0.61 -0.72 -0.54 0.00 0.00 174.62 174.22 2mev s TYR 197 N -1.53 -0.20 0.70 3.99 1.13 -1.26 -2.10 117.35 118.08 2mev s TYR 197 Ca 0.23 -0.16 -0.03 0.00 -1.41 0.00 0.00 57.07 55.71 2mev s TYR 197 Cb -0.09 0.53 0.10 0.00 -1.10 0.00 0.00 41.96 41.40 2mev s TYR 197 CO 0.14 -1.03 0.98 -1.25 -2.51 0.00 0.00 175.55 171.88 2mev s PRO 198 N -3.87 1.88 0.53 -3.49 0.04 -1.26 -5.05 135.00 123.77 2mev s PRO 198 Ca 0.09 -0.80 -0.22 0.00 0.04 0.00 0.00 61.00 60.11 2mev s PRO 198 Cb -0.03 -2.29 -0.05 0.00 0.04 0.00 0.00 34.50 32.17 2mev s PRO 198 CO -0.01 -1.33 1.34 -2.14 0.04 0.00 0.00 177.00 174.91 2mev s PRO 199 N -5.15 3.24 0.00 0.56 0.02 -1.26 -3.39 135.00 129.02 2mev s PRO 199 Ca 0.64 2.20 0.00 0.00 0.02 0.00 0.00 61.00 63.86 2mev s PRO 199 Cb -0.07 -2.30 0.00 0.00 0.02 0.00 0.00 34.50 32.15 2mev s PRO 199 CO 0.44 -1.10 0.00 0.41 -0.33 0.00 0.00 177.00 176.42 2mev n GLY 200 N 0.69 0.60 3.10 0.52 0.00 -1.26 -5.04 105.19 103.80 2mev n GLY 200 Ca 0.10 -0.21 -0.21 0.00 0.00 0.00 0.00 46.02 45.69 2mev n GLY 200 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2mev n PRO 202 N 2.57 0.22 -0.82 0.00 -0.02 -1.26 -4.90 135.00 130.79 2mev n PRO 202 Ca -0.15 0.11 -0.02 0.00 -2.02 0.00 0.00 63.50 61.42 2mev n PRO 202 Cb 0.55 -1.81 0.26 0.00 -0.02 0.00 0.00 33.50 32.49 2mev n PRO 202 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2mev n THR 203 N -2.53 2.68 -3.49 3.45 -2.24 -1.26 -4.95 114.28 105.94 2mev n THR 203 Ca 0.09 -2.00 -0.15 0.00 -2.27 0.00 0.00 64.05 59.73 2mev n THR 203 Cb 0.50 -0.33 -0.04 0.00 -2.10 0.00 0.00 70.33 68.36 2mev n THR 203 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2mev s SER 204 N -1.68 -0.58 0.04 3.42 1.04 -1.26 -3.69 113.70 110.99 2mev s SER 204 Ca 0.49 0.40 -0.04 0.00 0.48 0.00 0.00 55.95 57.28 2mev s SER 204 Cb 0.41 0.52 -0.02 0.00 0.10 0.00 0.00 66.02 67.03 2mev s SER 204 CO 0.09 -0.70 0.07 0.00 0.98 0.00 0.00 173.24 173.67 2mev s ALA 205 N -2.16 0.03 -0.09 5.32 0.00 -1.02 -4.94 121.76 118.89 2mev s ALA 205 Ca -0.05 -0.64 -0.14 0.00 0.00 0.00 0.00 51.96 51.14 2mev s ALA 205 Cb -0.00 0.24 -0.05 0.00 0.00 0.00 0.00 23.12 23.31 2mev s ALA 205 CO 0.00 -0.31 0.33 0.15 0.00 0.00 0.00 175.76 175.94 2mev s LYS 206 N -2.63 4.02 -0.30 0.00 1.02 -1.26 -0.94 119.74 119.64 2mev s LYS 206 Ca -0.05 0.22 -0.04 0.00 0.02 0.00 0.00 55.97 56.12 2mev s LYS 206 Cb -0.01 -3.31 0.04 0.00 -0.52 0.00 0.00 37.83 34.02 2mev s LYS 206 CO -0.05 0.48 0.03 0.42 -0.92 0.00 0.00 175.35 175.31 2mev s ILE 207 N -0.32 3.30 0.27 2.17 1.01 0.12 -1.25 121.20 126.51 2mev s ILE 207 Ca 0.20 -1.19 -0.30 0.00 0.00 0.00 0.00 60.65 59.37 2mev s ILE 207 Cb -0.14 -2.84 -0.10 0.00 0.01 0.00 0.00 42.46 39.39 2mev s ILE 207 CO 0.08 -0.06 1.40 -0.76 0.00 0.00 0.00 174.94 175.60 2mev s LEU 208 N 1.33 4.39 -0.14 2.97 1.02 -0.70 -1.30 118.68 126.26 2mev s LEU 208 Ca -0.03 2.67 0.02 0.00 0.02 0.00 0.00 54.13 56.82 2mev s LEU 208 Cb -0.19 -3.63 0.01 0.00 0.02 0.00 0.00 46.19 42.40 2mev s LEU 208 CO -0.00 -0.66 -0.19 0.42 0.02 0.00 0.00 176.35 175.94 2mev s THR 209 N -0.32 1.83 0.27 5.49 -4.23 -0.79 -1.12 115.64 116.77 2mev s THR 209 Ca 0.56 -0.83 0.04 0.00 -1.18 0.00 0.00 61.69 60.29 2mev s THR 209 Cb -0.41 -1.64 -0.06 0.00 1.34 0.00 0.00 72.50 71.73 2mev s THR 209 CO 0.46 0.50 0.00 -0.04 -0.54 0.00 0.00 174.62 175.01 2mev s MET 210 N 1.00 1.48 0.04 3.99 1.00 0.24 -0.96 119.30 126.09 2mev s MET 210 Ca -0.04 -1.78 0.02 0.00 0.00 0.00 0.00 55.69 53.89 2mev s MET 210 Cb -0.15 -0.81 -0.03 0.00 0.00 0.00 0.00 34.83 33.85 2mev s MET 210 CO -0.04 -0.10 -0.07 0.54 0.00 0.00 0.00 175.02 175.36 2mev s VAL 211 N -3.29 0.46 0.30 -6.03 0.11 0.12 -0.69 120.40 111.37 2mev s VAL 211 Ca 0.31 -1.14 -0.13 0.00 -2.93 0.00 0.00 61.98 58.09 2mev s VAL 211 Cb 0.06 -0.66 0.01 0.00 -1.53 0.00 0.00 36.38 34.26 2mev s VAL 211 CO 0.12 -0.46 0.59 -0.94 -3.33 0.00 0.00 175.10 171.07 2mev s SER 212 N -1.72 0.11 0.35 3.54 1.04 0.25 -2.23 113.70 115.04 2mev s SER 212 Ca -0.09 -1.04 -0.12 0.00 0.48 0.00 0.00 55.95 55.19 2mev s SER 212 Cb -0.08 0.68 -0.07 0.00 0.10 0.00 0.00 66.02 66.65 2mev s SER 212 CO -0.01 -1.33 0.73 0.00 0.98 0.00 0.00 173.24 173.61 2mev s ALA 213 N -3.43 3.37 0.67 5.32 0.00 -0.31 -0.83 121.76 126.55 2mev s ALA 213 Ca 0.21 -0.14 -0.01 0.00 0.00 0.00 0.00 51.96 52.02 2mev s ALA 213 Cb -0.03 -2.68 0.09 0.00 0.00 0.00 0.00 23.12 20.50 2mev s ALA 213 CO 0.12 0.18 0.93 0.20 0.00 0.00 0.00 175.76 177.19 2mev s GLY 214 N -2.75 1.77 0.55 0.00 0.00 0.52 -4.57 107.32 102.84 2mev s GLY 214 Ca 0.52 -1.47 0.32 0.00 0.00 0.00 0.00 44.72 44.09 2mev s GLY 214 CO 0.25 -1.01 2.08 0.07 0.00 0.00 0.00 173.10 174.49 2mev h LYS 215 N -0.38 0.00 -0.49 2.90 2.10 -1.99 -2.62 116.57 116.10 2mev h LYS 215 Ca -0.40 0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.20 2mev h LYS 215 Cb 1.28 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.59 2mev h LYS 215 CO 0.47 0.07 0.09 -0.44 -2.00 0.00 0.00 179.45 177.64 2mev h ASP 216 N 0.00 0.70 -3.01 7.07 3.45 -1.93 -3.47 116.42 119.23 2mev h ASP 216 Ca -0.00 -0.13 -0.55 0.00 0.43 0.00 0.00 57.03 56.78 2mev h ASP 216 Cb 0.36 -0.18 0.08 0.00 -0.56 0.00 0.00 39.33 39.03 2mev h ASP 216 CO 0.01 0.72 0.80 0.33 -1.57 0.00 0.00 179.24 179.52 2mev n PHE 217 N -4.27 2.60 -4.01 4.55 7.35 -0.99 -4.46 117.46 118.23 2mev n PHE 217 Ca 0.03 0.30 -0.09 0.00 -0.76 0.00 0.00 57.45 56.93 2mev n PHE 217 Cb 0.23 -2.55 -0.11 0.00 0.35 0.00 0.00 39.48 37.40 2mev n PHE 217 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 2mev s SER 218 N 0.48 0.37 0.03 -2.13 0.15 -0.54 -4.96 113.70 107.10 2mev s SER 218 Ca 0.66 -0.57 0.02 0.00 0.70 0.00 0.00 55.95 56.76 2mev s SER 218 Cb -0.55 0.10 -0.02 0.00 -1.71 0.00 0.00 66.02 63.84 2mev s SER 218 CO 0.48 -0.32 -0.07 -0.22 1.20 0.00 0.00 173.24 174.31 2mev s LEU 219 N -1.66 2.23 0.06 3.45 2.96 -1.26 -1.92 118.68 122.54 2mev s LEU 219 Ca -0.12 -0.49 -0.12 0.00 -0.22 0.00 0.00 54.13 53.18 2mev s LEU 219 Cb -0.08 -0.12 0.01 0.00 0.50 0.00 0.00 46.19 46.50 2mev s LEU 219 CO -0.02 -0.20 0.26 -1.59 -1.32 0.00 0.00 176.35 173.49 2mev s LYS 220 N -1.41 0.80 -0.20 1.98 -2.85 -0.32 -4.98 119.74 112.75 2mev s LYS 220 Ca -0.10 -0.64 -0.02 0.00 -1.00 0.00 0.00 55.97 54.21 2mev s LYS 220 Cb -0.09 0.34 0.01 0.00 -2.06 0.00 0.00 37.83 36.03 2mev s LYS 220 CO 0.00 -0.25 0.05 -1.33 0.10 0.00 0.00 175.35 173.92 2mev n MET 221 N 0.44 -2.81 -2.51 1.78 2.81 -1.26 -1.90 117.12 113.66 2mev n MET 221 Ca -0.18 2.33 -0.42 0.00 -1.81 0.00 0.00 57.70 57.62 2mev n MET 221 Cb 0.60 -4.18 -0.03 0.00 -0.71 0.00 0.00 33.22 28.90 2mev n MET 221 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 2mev s PRO 222 N -1.09 4.45 0.00 0.03 0.04 -1.26 -1.41 135.00 135.76 2mev s PRO 222 Ca -0.06 1.64 0.00 0.00 0.04 0.00 0.00 61.00 62.63 2mev s PRO 222 Cb 0.00 -3.43 0.00 0.00 0.04 0.00 0.00 34.50 31.11 2mev s PRO 222 CO 0.58 -0.25 0.00 0.44 0.04 0.00 0.00 177.00 177.81 2mev n ILE 223 N 4.10 0.00 -4.84 0.56 -6.64 0.70 -4.98 119.36 108.26 2mev n ILE 223 Ca 0.09 0.00 -0.27 0.00 -1.77 0.00 0.00 62.75 60.80 2mev n ILE 223 Cb 0.48 0.00 -0.16 0.00 -1.44 0.00 0.00 39.64 38.51 2mev n ILE 223 CO 0.00 0.00 0.00 -0.44 -1.77 0.00 0.00 176.55 174.34 2mev s SER 224 N -0.28 2.25 1.12 7.28 0.01 -1.26 -4.54 113.70 118.29 2mev s SER 224 Ca 0.00 -0.38 -0.16 0.00 1.31 0.00 0.00 55.95 56.71 2mev s SER 224 Cb 0.00 -0.89 0.25 0.00 0.21 0.00 0.00 66.02 65.59 2mev s SER 224 CO 0.00 0.11 1.10 -2.16 0.41 0.00 0.00 173.24 172.70 2mev s PRO 225 N 0.35 -0.59 0.24 12.44 0.04 -1.24 -4.94 135.00 141.29 2mev s PRO 225 Ca -0.12 0.16 -0.30 0.00 0.04 0.00 0.00 61.00 60.79 2mev s PRO 225 Cb -0.15 -1.65 -0.09 0.00 0.04 0.00 0.00 34.50 32.65 2mev s PRO 225 CO 0.04 -3.34 1.30 0.00 0.04 0.00 0.00 177.00 175.04 2mev s ALA 226 N -2.99 3.51 0.58 8.56 0.00 -1.26 -4.93 121.76 125.23 2mev s ALA 226 Ca 0.69 1.14 -0.20 0.00 0.00 0.00 0.00 51.96 53.58 2mev s ALA 226 Cb -0.13 -3.47 -0.04 0.00 0.00 0.00 0.00 23.12 19.48 2mev s ALA 226 CO 0.57 -0.54 1.28 -0.35 0.00 0.00 0.00 175.76 176.72 2mev n PRO 227 N 2.04 1.42 -4.17 0.00 -0.04 -1.26 -5.02 135.00 127.97 2mev n PRO 227 Ca 0.04 0.53 -0.14 0.00 -0.04 0.00 0.00 63.50 63.90 2mev n PRO 227 Cb 0.43 -2.50 -0.08 0.00 -0.04 0.00 0.00 33.50 31.31 2mev n PRO 227 CO 0.00 0.00 0.00 1.67 -0.04 0.00 0.00 175.50 177.13 2mev s TRP 228 N -1.34 1.15 -0.07 0.54 -2.14 -1.26 -5.16 118.94 110.66 2mev s TRP 228 Ca 0.75 -1.33 0.02 0.00 2.66 0.00 0.00 56.10 58.21 2mev s TRP 228 Cb -0.41 -0.41 0.01 0.00 -3.10 0.00 0.00 33.47 29.57 2mev s TRP 228 CO 0.47 -0.82 -0.13 0.45 -2.66 0.00 0.00 176.95 174.26 2mev s SER 229 N -3.19 1.91 0.02 -2.66 0.15 -1.26 -5.00 113.70 103.66 2mev s SER 229 Ca 0.36 -0.32 0.03 0.00 0.70 0.00 0.00 55.95 56.72 2mev s SER 229 Cb 0.04 -0.87 0.16 0.00 -1.71 0.00 0.00 66.02 63.64 2mev s SER 229 CO 0.16 0.02 1.11 -0.81 1.20 0.00 0.00 173.24 174.93 2mev n PRO 230 N 3.92 0.01 0.00 5.44 -0.04 -1.26 -5.34 135.00 137.73 2mev n PRO 230 Ca -0.22 0.46 0.00 0.00 -0.04 0.00 0.00 63.50 63.71 2mev n PRO 230 Cb 0.52 -1.52 0.00 0.00 -0.04 0.00 0.00 33.50 32.45 2mev n PRO 230 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50