#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2civ h PRO 2 N 0.00 0.76 0.00 3.49 0.13 -1.91 -0.12 132.00 134.35 2civ h PRO 2 Ca 0.00 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 65.08 2civ h PRO 2 Cb 0.00 -0.17 0.00 0.00 0.13 0.00 0.00 31.00 30.96 2civ h PRO 2 CO 0.00 0.50 0.00 0.41 -0.23 0.00 0.00 178.00 178.68 2civ n GLY 3 N -1.38 -1.24 0.23 1.56 0.00 -1.26 -3.57 105.19 99.53 2civ n GLY 3 Ca 0.20 -0.07 0.08 0.00 0.00 0.00 0.00 46.02 46.24 2civ n GLY 3 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2civ h SER 4 N 0.00 0.00 -0.10 1.61 4.64 -1.44 -3.46 113.55 114.80 2civ h SER 4 Ca 0.00 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 2civ h SER 4 Cb 0.37 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.44 2civ h SER 4 CO 0.00 0.22 -0.04 0.61 -0.87 0.00 0.00 176.83 176.75 2civ n GLY 5 N -0.49 0.31 0.37 -0.77 0.00 -1.23 -4.89 105.19 98.48 2civ n GLY 5 Ca -0.02 -0.03 0.06 0.00 0.00 0.00 0.00 46.02 46.03 2civ n GLY 5 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2civ h ILE 6 N 0.00 1.00 0.00 -0.61 2.04 -1.88 -1.95 117.51 116.11 2civ h ILE 6 Ca -0.04 -0.34 0.00 0.00 1.00 0.00 0.00 64.86 65.48 2civ h ILE 6 Cb 0.80 -0.08 0.00 0.00 -0.74 0.00 0.00 36.82 36.81 2civ h ILE 6 CO 0.06 0.18 -0.06 0.61 0.00 0.00 0.00 178.15 178.94 2civ n GLY 7 N -1.39 -1.49 3.77 5.37 0.00 -1.26 -4.92 105.19 105.27 2civ n GLY 7 Ca 0.16 -0.12 -0.39 0.00 0.00 0.00 0.00 46.02 45.66 2civ n GLY 7 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2civ s TYR 8 N -3.01 3.24 -0.39 1.61 5.04 -0.73 -0.44 117.35 122.67 2civ s TYR 8 Ca 0.13 1.58 0.10 0.00 -2.44 0.00 0.00 57.07 56.44 2civ s TYR 8 Cb 0.18 -3.41 0.65 0.00 0.35 0.00 0.00 41.96 39.74 2civ s TYR 8 CO 0.56 -1.14 1.54 -0.35 -1.34 0.00 0.00 175.55 174.81 2civ n PRO 9 N 0.60 3.92 0.01 4.97 -0.04 -1.26 -4.87 135.00 138.33 2civ n PRO 9 Ca 0.02 -2.53 -0.18 0.00 -0.04 0.00 0.00 63.50 60.76 2civ n PRO 9 Cb 0.45 -2.11 -0.14 0.00 -0.04 0.00 0.00 33.50 31.66 2civ n PRO 9 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 2civ h TYR 10 N 2.95 0.39 -3.24 0.54 0.05 -1.31 -3.43 116.97 112.92 2civ h TYR 10 Ca 0.06 -0.28 -0.51 0.00 0.05 0.00 0.00 58.73 58.04 2civ h TYR 10 Cb 1.79 -0.02 -0.40 0.00 1.01 0.00 0.00 36.73 39.12 2civ h TYR 10 CO 0.93 1.54 -0.76 0.34 -1.05 0.00 0.00 178.16 179.16 2civ s ASP 11 N -6.83 2.90 0.00 3.88 -1.08 0.42 -4.95 116.67 111.00 2civ s ASP 11 Ca -0.16 -0.83 0.18 0.00 -0.52 0.00 0.00 52.55 51.22 2civ s ASP 11 Cb 0.07 -0.57 0.52 0.00 -1.46 0.00 0.00 42.92 41.48 2civ s ASP 11 CO 0.80 -0.31 1.43 0.59 0.52 0.00 0.00 175.17 178.20 2civ n ASN 12 N 5.07 3.15 -3.03 -0.34 3.02 -1.26 -2.99 115.26 118.88 2civ n ASN 12 Ca -0.09 -2.00 -0.16 0.00 -0.03 0.00 0.00 54.58 52.31 2civ n ASN 12 Cb 0.47 -0.39 0.00 0.00 -0.61 0.00 0.00 39.78 39.25 2civ n ASN 12 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2civ n ASN 13 N 1.23 -0.41 -4.90 6.41 4.13 -1.26 -5.04 115.26 115.41 2civ n ASN 13 Ca 0.20 -3.18 -0.28 0.00 1.68 0.00 0.00 54.58 52.99 2civ n ASN 13 Cb 0.50 0.27 0.02 0.00 -1.54 0.00 0.00 39.78 39.02 2civ n ASN 13 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 2civ s THR 14 N -1.29 4.33 0.09 3.41 -4.23 -1.26 -5.04 115.64 111.65 2civ s THR 14 Ca 0.34 0.33 0.06 0.00 -1.18 0.00 0.00 61.69 61.24 2civ s THR 14 Cb 0.30 -3.70 -0.03 0.00 1.34 0.00 0.00 72.50 70.41 2civ s THR 14 CO -0.09 -0.78 -0.15 -0.76 -0.54 0.00 0.00 174.62 172.30 2civ s LEU 15 N -4.99 2.32 0.66 4.79 1.43 -1.26 -3.48 118.68 118.15 2civ s LEU 15 Ca 0.52 -0.69 -0.14 0.00 -1.03 0.00 0.00 54.13 52.80 2civ s LEU 15 Cb -0.11 -0.55 -0.00 0.00 0.03 0.00 0.00 46.19 45.56 2civ s LEU 15 CO 0.48 -0.09 1.08 -2.16 0.23 0.00 0.00 176.35 175.88 2civ s PRO 16 N -2.08 2.95 0.22 1.29 0.04 -1.26 -4.51 135.00 131.65 2civ s PRO 16 Ca 0.02 1.19 -0.30 0.00 0.04 0.00 0.00 61.00 61.95 2civ s PRO 16 Cb -0.08 -1.98 -0.10 0.00 0.04 0.00 0.00 34.50 32.38 2civ s PRO 16 CO 0.03 -1.10 1.47 -0.47 0.04 0.00 0.00 177.00 176.96 2civ s TYR 17 N -2.63 3.04 -0.07 0.56 6.14 -0.22 -4.36 117.35 119.81 2civ s TYR 17 Ca 0.63 0.91 -0.00 0.00 0.64 0.00 0.00 57.07 59.25 2civ s TYR 17 Cb -0.17 -3.84 0.02 0.00 0.42 0.00 0.00 41.96 38.40 2civ s TYR 17 CO 0.45 -2.85 -0.04 0.08 0.64 0.00 0.00 175.55 173.83 2civ s VAL 18 N 0.37 0.59 0.45 3.14 1.01 -0.08 -4.18 120.40 121.70 2civ s VAL 18 Ca 0.63 -0.07 -0.25 0.00 0.00 0.00 0.00 61.98 62.29 2civ s VAL 18 Cb -0.42 -0.66 -0.08 0.00 0.00 0.00 0.00 36.38 35.22 2civ s VAL 18 CO 0.39 0.27 1.38 0.00 0.00 0.00 0.00 175.10 177.14 2civ s ALA 19 N 1.47 3.18 0.34 5.51 0.00 -1.26 -4.63 121.76 126.36 2civ s ALA 19 Ca -0.02 1.37 -0.28 0.00 0.00 0.00 0.00 51.96 53.03 2civ s ALA 19 Cb -0.13 -3.55 -0.10 0.00 0.00 0.00 0.00 23.12 19.34 2civ s ALA 19 CO -0.03 -1.11 1.22 -1.25 0.00 0.00 0.00 175.76 174.59 2civ s PRO 20 N -2.47 4.33 0.63 0.00 0.04 -1.26 -5.04 135.00 131.23 2civ s PRO 20 Ca 0.62 2.02 -0.04 0.00 0.04 0.00 0.00 61.00 63.64 2civ s PRO 20 Cb -0.41 -2.99 0.04 0.00 0.04 0.00 0.00 34.50 31.18 2civ s PRO 20 CO 0.52 -0.14 0.91 0.20 0.04 0.00 0.00 177.00 178.54 2civ s GLY 21 N -0.75 1.70 0.56 0.56 0.00 -1.26 -4.90 107.32 103.23 2civ s GLY 21 Ca 0.50 -0.99 0.27 0.00 0.00 0.00 0.00 44.72 44.50 2civ s GLY 21 CO 0.46 -0.65 2.03 -2.55 0.00 0.00 0.00 173.10 172.39 2civ h PRO 22 N -0.30 0.00 -0.00 2.90 0.11 -1.96 -1.12 132.00 131.63 2civ h PRO 22 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 2civ h PRO 22 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 2civ h PRO 22 CO 0.58 0.00 -0.57 0.25 -0.21 0.00 0.00 178.00 178.05 2civ n THR 23 N -4.04 0.00 -2.38 -1.15 -2.24 -1.26 -4.59 114.28 98.62 2civ n THR 23 Ca 0.06 -0.08 -0.36 0.00 -2.27 0.00 0.00 64.05 61.40 2civ n THR 23 Cb 0.48 0.68 -0.02 0.00 -2.10 0.00 0.00 70.33 69.37 2civ n THR 23 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2civ s ASP 24 N -2.78 6.21 -0.19 3.42 1.01 -0.42 -5.03 116.67 118.89 2civ s ASP 24 Ca 0.15 2.14 -0.14 0.00 0.71 0.00 0.00 52.55 55.41 2civ s ASP 24 Cb 0.18 -2.58 -0.04 0.00 1.01 0.00 0.00 42.92 41.48 2civ s ASP 24 CO 0.68 -0.88 0.30 -0.55 0.21 0.00 0.00 175.17 174.92 2civ s SER 25 N -1.63 6.37 0.28 0.27 0.15 0.01 -4.50 113.70 114.65 2civ s SER 25 Ca 0.65 0.42 0.08 0.00 0.70 0.00 0.00 55.95 57.80 2civ s SER 25 Cb -0.24 -2.18 -0.06 0.00 -1.71 0.00 0.00 66.02 61.84 2civ s SER 25 CO 0.28 0.04 -0.09 -0.13 1.20 0.00 0.00 173.24 174.54 2civ s ARG 26 N 0.86 1.57 0.47 5.44 1.81 -1.26 -3.85 118.95 123.99 2civ s ARG 26 Ca 0.15 -1.78 0.08 0.00 -1.72 0.00 0.00 55.73 52.47 2civ s ARG 26 Cb -0.14 -1.29 0.03 0.00 -0.45 0.00 0.00 34.95 33.10 2civ s ARG 26 CO 0.05 0.10 0.58 0.00 -0.68 0.00 0.00 175.30 175.35 2civ s ALA 27 N -2.90 4.48 -2.03 2.13 0.00 -1.26 -2.85 121.76 119.32 2civ s ALA 27 Ca 0.29 -1.82 0.13 0.00 0.00 0.00 0.00 51.96 50.57 2civ s ALA 27 Cb 0.02 -1.38 0.71 0.00 0.00 0.00 0.00 23.12 22.47 2civ s ALA 27 CO 0.12 -0.44 1.47 -0.35 0.00 0.00 0.00 175.76 176.55 2civ n PRO 28 N -1.89 1.14 -3.93 0.00 -0.04 -1.26 -4.66 135.00 124.36 2civ n PRO 28 Ca 0.08 -0.21 -0.36 0.00 -0.04 0.00 0.00 63.50 62.98 2civ n PRO 28 Cb 0.61 -1.22 -0.12 0.00 -0.04 0.00 0.00 33.50 32.73 2civ n PRO 28 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2civ h PRO 30 N 7.61 0.00 0.11 0.00 0.13 -1.95 -1.49 132.00 136.41 2civ h PRO 30 Ca -0.37 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.76 2civ h PRO 30 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2civ h PRO 30 CO 0.62 0.28 -0.05 0.00 -0.23 0.00 0.00 178.00 178.62 2civ h ALA 31 N 1.72 -0.14 -1.00 -0.56 0.00 -1.94 -2.40 119.26 114.94 2civ h ALA 31 Ca -0.00 -0.26 0.04 0.00 0.00 0.00 0.00 54.91 54.69 2civ h ALA 31 Cb 0.58 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.37 2civ h ALA 31 CO 0.04 -0.27 0.65 -0.07 0.00 0.00 0.00 179.25 179.60 2civ h LEU 32 N -0.76 1.09 -0.55 0.00 3.38 -1.97 -1.67 115.31 114.82 2civ h LEU 32 Ca -0.01 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 2civ h LEU 32 Cb 0.56 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 2civ h LEU 32 CO 0.02 0.74 0.17 0.78 0.09 0.00 0.00 178.44 180.24 2civ h ASN 33 N 1.26 0.81 -0.55 -0.43 2.35 -1.33 -0.68 115.58 117.00 2civ h ASN 33 Ca 0.40 -0.21 -0.01 0.00 -0.55 0.00 0.00 56.30 55.93 2civ h ASN 33 Cb 0.01 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 38.15 2civ h ASN 33 CO -0.13 0.80 0.30 0.00 -1.65 0.00 0.00 177.43 176.76 2civ h ALA 34 N 1.04 0.71 -0.55 -0.83 0.00 -1.04 0.17 119.26 118.75 2civ h ALA 34 Ca 0.18 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2civ h ALA 34 Cb 0.29 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 2civ h ALA 34 CO -0.00 0.23 0.35 -0.07 0.00 0.00 0.00 179.25 179.75 2civ h LEU 35 N 0.75 0.64 -0.55 0.00 3.38 -1.08 -2.19 115.31 116.26 2civ h LEU 35 Ca 0.20 -0.04 -0.09 0.00 0.09 0.00 0.00 57.88 58.03 2civ h LEU 35 Cb 0.05 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 2civ h LEU 35 CO -0.03 0.49 -0.02 0.00 0.09 0.00 0.00 178.44 178.97 2civ h ALA 36 N 1.18 0.74 -0.09 1.53 0.00 -0.94 -0.82 119.26 120.86 2civ h ALA 36 Ca 0.20 -0.31 0.03 0.00 0.00 0.00 0.00 54.91 54.83 2civ h ALA 36 Cb -0.05 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.54 2civ h ALA 36 CO -0.04 0.58 0.07 -0.91 0.00 0.00 0.00 179.25 178.95 2civ h ASN 37 N 0.86 0.00 0.09 0.00 2.35 -0.76 -1.20 115.58 116.93 2civ h ASN 37 Ca 0.15 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.90 2civ h ASN 37 Cb 0.56 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.93 2civ h ASN 37 CO 0.03 0.00 -0.22 1.41 -1.65 0.00 0.00 177.43 177.00 2civ n HIS 38 N -4.36 0.00 -1.29 1.19 8.25 -0.84 -0.91 115.22 117.26 2civ n HIS 38 Ca -0.01 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.35 2civ n HIS 38 Cb 0.18 -0.05 -0.04 0.00 1.12 0.00 0.00 29.99 31.20 2civ n HIS 38 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2civ n GLY 39 N 1.32 1.14 0.14 -1.41 0.00 -0.45 -4.58 105.19 101.36 2civ n GLY 39 Ca 0.13 -0.48 0.01 0.00 0.00 0.00 0.00 46.02 45.68 2civ n GLY 39 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 2civ h TYR 40 N 0.00 0.00 -2.01 1.61 0.05 -1.43 -3.42 116.97 111.77 2civ h TYR 40 Ca -0.20 0.00 -0.61 0.00 0.05 0.00 0.00 58.73 57.96 2civ h TYR 40 Cb 0.70 0.00 -0.13 0.00 1.01 0.00 0.00 36.73 38.30 2civ h TYR 40 CO 0.31 0.57 -0.70 0.96 -1.05 0.00 0.00 178.16 178.25 2civ s ILE 41 N -3.35 2.34 0.09 -2.88 -4.36 -1.19 -4.63 121.20 107.22 2civ s ILE 41 Ca 0.00 -2.24 -0.36 0.00 -0.26 0.00 0.00 60.65 57.79 2civ s ILE 41 Cb 0.11 -2.56 -0.17 0.00 1.25 0.00 0.00 42.46 41.08 2civ s ILE 41 CO 0.74 -0.26 1.25 -2.65 0.24 0.00 0.00 174.94 174.27 2civ n PRO 42 N -0.76 0.96 -0.24 0.37 -0.02 -1.26 -4.35 135.00 129.70 2civ n PRO 42 Ca -0.05 0.35 0.18 0.00 -2.02 0.00 0.00 63.50 61.96 2civ n PRO 42 Cb 0.62 -1.93 0.50 0.00 -0.02 0.00 0.00 33.50 32.67 2civ n PRO 42 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2civ h HIS 43 N 4.05 0.56 -0.00 6.00 3.86 -1.86 0.33 115.15 128.08 2civ h HIS 43 Ca -0.47 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 58.76 2civ h HIS 43 Cb 1.35 -0.17 0.00 0.00 1.06 0.00 0.00 27.41 29.65 2civ h HIS 43 CO 0.58 0.16 -0.06 -0.40 0.86 0.00 0.00 177.93 179.06 2civ n ASP 44 N -4.52 0.24 -1.70 2.45 5.68 -1.26 -4.74 116.55 112.70 2civ n ASP 44 Ca 0.19 -0.38 -0.15 0.00 -0.50 0.00 0.00 54.79 53.95 2civ n ASP 44 Cb 0.67 -0.16 -0.01 0.00 -1.14 0.00 0.00 41.12 40.48 2civ n ASP 44 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2civ n GLY 45 N 1.28 -0.21 3.25 6.12 0.00 0.10 -0.81 105.19 114.92 2civ n GLY 45 Ca 0.14 -0.26 -0.21 0.00 0.00 0.00 0.00 46.02 45.70 2civ n GLY 45 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2civ s ARG 46 N -4.72 1.03 -0.90 1.61 0.52 -1.26 -1.45 118.95 113.78 2civ s ARG 46 Ca 0.00 -1.13 -0.05 0.00 -0.52 0.00 0.00 55.73 54.03 2civ s ARG 46 Cb 0.00 -1.13 -0.05 0.00 0.52 0.00 0.00 34.95 34.28 2civ s ARG 46 CO 0.00 0.25 0.80 0.00 0.02 0.00 0.00 175.30 176.37 2civ n ALA 47 N 0.98 -2.30 -3.32 2.13 0.00 -0.54 -4.75 120.51 112.71 2civ n ALA 47 Ca -0.19 0.11 -0.35 0.00 0.00 0.00 0.00 53.44 53.01 2civ n ALA 47 Cb 0.55 -4.73 -0.14 0.00 0.00 0.00 0.00 19.45 15.13 2civ n ALA 47 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2civ s ILE 48 N -3.30 3.48 0.51 0.00 1.01 -0.73 -4.75 121.20 117.42 2civ s ILE 48 Ca 0.36 -0.47 -0.05 0.00 0.00 0.00 0.00 60.65 60.49 2civ s ILE 48 Cb -0.05 -2.56 -0.02 0.00 0.01 0.00 0.00 42.46 39.85 2civ s ILE 48 CO 0.66 0.44 0.80 -0.94 0.00 0.00 0.00 174.94 175.91 2civ s SER 49 N 1.13 5.97 0.17 3.58 1.04 -1.25 -0.14 113.70 124.20 2civ s SER 49 Ca 0.02 0.75 -0.14 0.00 0.48 0.00 0.00 55.95 57.06 2civ s SER 49 Cb -0.15 -1.95 0.07 0.00 0.10 0.00 0.00 66.02 64.09 2civ s SER 49 CO -0.00 -0.76 1.82 0.03 0.98 0.00 0.00 173.24 175.30 2civ h ARG 50 N 0.12 0.58 -0.35 4.02 3.08 -1.97 -2.40 114.38 117.46 2civ h ARG 50 Ca -0.46 -0.03 -0.07 0.00 0.07 0.00 0.00 59.98 59.48 2civ h ARG 50 Cb 1.23 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 31.13 2civ h ARG 50 CO 0.61 0.38 -0.09 1.49 -1.07 0.00 0.00 179.97 181.29 2civ h GLU 51 N 0.60 0.60 -0.41 0.04 4.81 -1.94 0.60 114.58 118.87 2civ h GLU 51 Ca 0.19 -0.17 0.03 0.00 -0.13 0.00 0.00 59.36 59.28 2civ h GLU 51 Cb -0.01 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.27 2civ h GLU 51 CO -0.07 0.68 0.21 1.15 -0.73 0.00 0.00 179.01 180.25 2civ h THR 52 N 0.55 0.97 -0.25 0.32 2.02 -1.88 0.15 112.91 114.81 2civ h THR 52 Ca 0.10 -0.14 -0.02 0.00 0.77 0.00 0.00 66.41 67.12 2civ h THR 52 Cb 0.48 0.52 -0.01 0.00 -1.74 0.00 0.00 68.15 67.40 2civ h THR 52 CO 0.03 0.08 0.06 -0.07 0.37 0.00 0.00 175.52 175.99 2civ h LEU 53 N 0.42 0.37 -0.22 2.58 3.38 -0.95 -1.39 115.31 119.49 2civ h LEU 53 Ca 0.18 -0.22 0.02 0.00 0.09 0.00 0.00 57.88 57.94 2civ h LEU 53 Cb 0.08 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 2civ h LEU 53 CO -0.12 0.50 0.09 1.56 0.09 0.00 0.00 178.44 180.55 2civ h GLN 54 N 0.23 0.19 -0.68 1.13 4.20 -0.60 -1.50 115.11 118.08 2civ h GLN 54 Ca 0.08 -0.01 -0.07 0.00 0.06 0.00 0.00 58.65 58.70 2civ h GLN 54 Cb 0.27 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 27.98 2civ h GLN 54 CO -0.00 0.13 0.14 -0.91 -0.67 0.00 0.00 178.83 177.52 2civ h ASN 55 N 0.20 1.05 -0.07 1.46 -0.26 -0.94 -1.40 115.58 115.62 2civ h ASN 55 Ca 0.09 -0.23 -0.00 0.00 -0.56 0.00 0.00 56.30 55.60 2civ h ASN 55 Cb 0.05 -0.28 -0.00 0.00 -1.06 0.00 0.00 38.32 37.03 2civ h ASN 55 CO -0.09 1.02 0.03 0.00 -1.06 0.00 0.00 177.43 177.34 2civ h ALA 56 N 1.10 0.09 -0.40 -0.83 0.00 -0.97 0.48 119.26 118.74 2civ h ALA 56 Ca 0.21 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 2civ h ALA 56 Cb 0.40 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 2civ h ALA 56 CO 0.01 -0.35 0.16 0.74 0.00 0.00 0.00 179.25 179.81 2civ h PHE 57 N -0.00 0.61 0.12 0.00 0.04 -1.21 -1.51 116.94 114.98 2civ h PHE 57 Ca 0.02 -0.05 -0.01 0.00 2.80 0.00 0.00 57.97 60.74 2civ h PHE 57 Cb 0.11 -0.18 0.00 0.00 2.20 0.00 0.00 35.95 38.08 2civ h PHE 57 CO -0.03 0.54 -0.06 1.25 -0.60 0.00 0.00 178.31 179.41 2civ h LEU 58 N 0.50 -0.14 0.00 1.54 5.85 -0.79 -1.57 115.31 120.70 2civ h LEU 58 Ca 0.13 -0.29 -0.09 0.00 0.84 0.00 0.00 57.88 58.48 2civ h LEU 58 Cb 0.19 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.24 2civ h LEU 58 CO -0.01 0.22 -0.48 0.78 -0.34 0.00 0.00 178.44 178.62 2civ h ASN 59 N -0.52 0.00 0.00 1.25 -0.26 -0.95 -3.07 115.58 112.03 2civ h ASN 59 Ca -0.02 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.72 2civ h ASN 59 Cb 0.42 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.68 2civ h ASN 59 CO 0.03 0.42 -0.40 1.41 -1.06 0.00 0.00 177.43 177.83 2civ n HIS 60 N -3.18 0.00 -0.45 1.19 8.25 -0.57 -4.72 115.22 115.74 2civ n HIS 60 Ca 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.48 2civ n HIS 60 Cb 0.71 -0.02 0.00 0.00 1.12 0.00 0.00 29.99 31.80 2civ n HIS 60 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 2civ n MET 61 N -1.21 -0.35 -3.52 -0.41 2.81 -0.66 -4.80 117.12 108.98 2civ n MET 61 Ca 0.00 -0.34 -0.24 0.00 -1.81 0.00 0.00 57.70 55.31 2civ n MET 61 Cb 0.07 -0.78 0.07 0.00 -0.71 0.00 0.00 33.22 31.87 2civ n MET 61 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2civ n GLY 62 N -0.02 -0.54 3.14 3.03 0.00 -0.87 -4.17 105.19 105.75 2civ n GLY 62 Ca 0.00 0.23 -0.33 0.00 0.00 0.00 0.00 46.02 45.92 2civ n GLY 62 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2civ s ILE 63 N -3.29 2.44 0.76 -0.61 -1.09 -0.78 -0.90 121.20 117.73 2civ s ILE 63 Ca 0.54 -1.18 -0.11 0.00 -2.23 0.00 0.00 60.65 57.67 2civ s ILE 63 Cb -0.24 -2.24 0.05 0.00 -1.58 0.00 0.00 42.46 38.44 2civ s ILE 63 CO 0.67 0.22 1.08 0.00 -1.23 0.00 0.00 174.94 175.69 2civ s ALA 64 N 1.25 2.39 0.35 9.38 0.00 -0.30 -2.24 121.76 132.59 2civ s ALA 64 Ca -0.01 -0.02 0.07 0.00 0.00 0.00 0.00 51.96 52.00 2civ s ALA 64 Cb -0.17 -3.16 0.75 0.00 0.00 0.00 0.00 23.12 20.54 2civ s ALA 64 CO -0.07 -1.55 1.90 -0.91 0.00 0.00 0.00 175.76 175.13 2civ h ASN 65 N -0.96 0.69 -0.36 0.00 2.35 -1.88 -1.64 115.58 113.78 2civ h ASN 65 Ca -0.45 0.02 0.05 0.00 -0.55 0.00 0.00 56.30 55.37 2civ h ASN 65 Cb 1.24 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 39.47 2civ h ASN 65 CO 0.57 0.40 0.25 0.77 -1.65 0.00 0.00 177.43 177.77 2civ h SER 66 N 0.76 0.23 0.03 5.81 4.64 -1.92 -2.07 113.55 121.03 2civ h SER 66 Ca 0.39 -0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.66 2civ h SER 66 Cb 0.49 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 62.52 2civ h SER 66 CO -0.16 0.15 -0.16 0.58 -0.87 0.00 0.00 176.83 176.37 2civ h VAL 67 N 0.26 1.20 -0.39 0.95 2.07 -1.58 -3.17 116.25 115.58 2civ h VAL 67 Ca 0.16 -0.89 0.00 0.00 0.82 0.00 0.00 66.70 66.79 2civ h VAL 67 Cb 0.31 1.25 0.00 0.00 -1.52 0.00 0.00 31.29 31.33 2civ h VAL 67 CO -0.03 0.28 0.00 2.30 0.02 0.00 0.00 177.57 180.14 2civ n ILE 68 N -4.24 0.89 0.17 4.57 -5.35 -0.80 -4.69 119.36 109.90 2civ n ILE 68 Ca -0.01 -0.94 -0.14 0.00 -0.27 0.00 0.00 62.75 61.39 2civ n ILE 68 Cb 0.30 0.59 -0.07 0.00 -1.74 0.00 0.00 39.64 38.72 2civ n ILE 68 CO 0.00 0.00 0.00 -0.08 -1.76 0.00 0.00 176.55 174.71 2civ h GLU 69 N 2.57 -0.60 -0.64 6.28 4.81 -1.48 0.94 114.58 126.45 2civ h GLU 69 Ca 0.00 0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 59.22 2civ h GLU 69 Cb 0.77 0.14 -0.03 0.00 0.63 0.00 0.00 28.75 30.26 2civ h GLU 69 CO 0.00 -0.40 0.20 1.25 -0.73 0.00 0.00 179.01 179.33 2civ h LEU 70 N -0.63 0.94 -0.92 1.64 5.85 -1.83 -2.38 115.31 117.98 2civ h LEU 70 Ca 0.00 -0.21 0.05 0.00 0.84 0.00 0.00 57.88 58.57 2civ h LEU 70 Cb 0.61 -0.25 -0.06 0.00 0.37 0.00 0.00 40.66 41.33 2civ h LEU 70 CO -0.12 0.90 0.58 0.00 -0.34 0.00 0.00 178.44 179.46 2civ h ALA 71 N 1.08 1.24 -0.03 1.25 0.00 -1.77 0.11 119.26 121.14 2civ h ALA 71 Ca 0.21 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 2civ h ALA 71 Cb 0.29 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 2civ h ALA 71 CO -0.01 0.39 0.01 -0.07 0.00 0.00 0.00 179.25 179.57 2civ h LEU 72 N 1.09 0.05 -0.44 0.00 3.38 -0.60 0.10 115.31 118.88 2civ h LEU 72 Ca 0.39 -0.20 0.09 0.00 0.09 0.00 0.00 57.88 58.25 2civ h LEU 72 Cb 0.11 -0.01 -0.08 0.00 0.09 0.00 0.00 40.66 40.77 2civ h LEU 72 CO -0.15 0.23 -0.05 0.74 0.09 0.00 0.00 178.44 179.30 2civ h THR 73 N -0.14 0.60 -0.17 0.22 2.02 -0.89 -2.23 112.91 112.33 2civ h THR 73 Ca 0.01 -0.02 -0.14 0.00 0.77 0.00 0.00 66.41 67.04 2civ h THR 73 Cb 0.20 0.55 -0.01 0.00 -1.74 0.00 0.00 68.15 67.15 2civ h THR 73 CO -0.00 0.01 -0.48 0.78 0.37 0.00 0.00 175.52 176.20 2civ h ASN 74 N 0.05 0.48 -0.48 4.18 2.35 -0.56 -1.47 115.58 120.13 2civ h ASN 74 Ca 0.22 -0.23 0.04 0.00 -0.55 0.00 0.00 56.30 55.78 2civ h ASN 74 Cb 0.33 -0.14 -0.04 0.00 0.05 0.00 0.00 38.32 38.52 2civ h ASN 74 CO -0.41 0.88 0.24 0.00 -1.65 0.00 0.00 177.43 176.50 2civ h ALA 75 N 1.13 0.61 -0.04 -0.83 0.00 -0.49 -1.35 119.26 118.29 2civ h ALA 75 Ca 0.02 0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.78 2civ h ALA 75 Cb 0.97 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 2civ h ALA 75 CO 0.09 -0.10 -0.71 0.74 0.00 0.00 0.00 179.25 179.27 2civ h PHE 76 N 0.48 0.27 -0.32 0.00 0.04 -1.16 -0.31 116.94 115.95 2civ h PHE 76 Ca 0.21 -0.12 0.01 0.00 2.80 0.00 0.00 57.97 60.87 2civ h PHE 76 Cb 0.11 -0.04 -0.02 0.00 2.20 0.00 0.00 35.95 38.20 2civ h PHE 76 CO -0.10 0.84 0.20 0.28 -0.60 0.00 0.00 178.31 178.92 2civ h VAL 77 N 0.13 1.05 -0.48 -0.55 2.07 -1.07 -1.71 116.25 115.69 2civ h VAL 77 Ca -0.02 -0.14 -0.11 0.00 0.82 0.00 0.00 66.70 67.25 2civ h VAL 77 Cb 1.26 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 31.62 2civ h VAL 77 CO 0.11 0.07 -0.16 0.58 0.02 0.00 0.00 177.57 178.19 2civ h VAL 78 N 0.40 1.27 -0.40 2.57 2.07 -1.03 -1.02 116.25 120.10 2civ h VAL 78 Ca 0.12 -1.29 0.04 0.00 0.82 0.00 0.00 66.70 66.40 2civ h VAL 78 Cb -0.01 1.06 -0.04 0.00 -1.52 0.00 0.00 31.29 30.78 2civ h VAL 78 CO -0.05 0.45 0.15 0.00 0.02 0.00 0.00 177.57 178.14 2civ h GLU 80 N 0.33 0.77 -0.08 0.00 4.81 -1.01 -1.02 114.58 118.37 2civ h GLU 80 Ca 0.18 -0.21 0.02 0.00 -0.13 0.00 0.00 59.36 59.22 2civ h GLU 80 Cb 0.15 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.42 2civ h GLU 80 CO -0.17 0.78 -0.03 -0.92 -0.73 0.00 0.00 179.01 177.94 2civ h TYR 81 N 0.64 -0.06 -0.24 0.92 3.20 -0.83 0.67 116.97 121.27 2civ h TYR 81 Ca 0.14 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.96 2civ h TYR 81 Cb 0.39 0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.69 2civ h TYR 81 CO 0.03 -0.04 -0.07 0.28 -1.64 0.00 0.00 178.16 176.71 2civ h VAL 82 N -0.01 1.29 0.00 1.81 2.07 -0.58 -3.31 116.25 117.52 2civ h VAL 82 Ca 0.04 -1.09 -0.04 0.00 0.82 0.00 0.00 66.70 66.43 2civ h VAL 82 Cb 0.07 1.51 -0.01 0.00 -1.52 0.00 0.00 31.29 31.35 2civ h VAL 82 CO -0.09 0.34 -0.74 0.71 0.02 0.00 0.00 177.57 177.81 2civ h THR 83 N 0.20 0.16 0.00 2.57 1.35 -1.19 -3.47 112.91 112.54 2civ h THR 83 Ca 0.06 -1.27 0.00 0.00 -0.55 0.00 0.00 66.41 64.65 2civ h THR 83 Cb 0.54 1.81 0.00 0.00 -1.73 0.00 0.00 68.15 68.77 2civ h THR 83 CO 0.03 0.09 0.00 0.61 -0.25 0.00 0.00 175.52 176.00 2civ n GLY 84 N 1.20 0.72 3.19 5.82 0.00 0.22 -5.04 105.19 111.30 2civ n GLY 84 Ca -0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 2civ n GLY 84 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2civ s SER 85 N -2.36 0.07 0.20 1.61 1.04 -1.20 -5.03 113.70 108.03 2civ s SER 85 Ca 0.00 -0.49 -0.33 0.00 0.48 0.00 0.00 55.95 55.61 2civ s SER 85 Cb 0.00 0.32 -0.13 0.00 0.10 0.00 0.00 66.02 66.30 2civ s SER 85 CO 0.00 -0.64 1.52 -0.67 0.98 0.00 0.00 173.24 174.43 2civ n ASP 86 N 0.33 3.06 -0.82 7.02 -0.08 -1.26 -4.19 116.55 120.62 2civ n ASP 86 Ca -0.17 1.11 0.12 0.00 -1.51 0.00 0.00 54.79 54.34 2civ n ASP 86 Cb 0.61 -1.44 0.29 0.00 2.34 0.00 0.00 41.12 42.91 2civ n ASP 86 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2civ n GLY 88 N 1.31 3.93 1.74 0.00 0.00 -1.26 -1.65 105.19 109.25 2civ n GLY 88 Ca 0.17 0.10 -0.17 0.00 0.00 0.00 0.00 46.02 46.12 2civ n GLY 88 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2civ n ASP 89 N 7.00 4.12 -3.51 1.61 2.03 -1.26 -4.89 116.55 121.66 2civ n ASP 89 Ca 0.00 -3.72 -0.29 0.00 0.52 0.00 0.00 54.79 51.30 2civ n ASP 89 Cb 0.00 -0.38 -0.13 0.00 -0.72 0.00 0.00 41.12 39.89 2civ n ASP 89 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 2civ s SER 90 N -3.52 3.17 0.06 1.67 0.15 -0.66 -3.88 113.70 110.70 2civ s SER 90 Ca 0.47 -2.03 -0.30 0.00 0.70 0.00 0.00 55.95 54.79 2civ s SER 90 Cb 0.40 -0.46 -0.10 0.00 -1.71 0.00 0.00 66.02 64.16 2civ s SER 90 CO 0.01 -0.33 1.94 -0.11 1.20 0.00 0.00 173.24 175.95 2civ n LEU 91 N 4.26 4.13 0.01 3.45 7.94 0.80 -4.59 117.00 133.00 2civ n LEU 91 Ca 0.08 0.93 -0.10 0.00 -1.11 0.00 0.00 56.01 55.81 2civ n LEU 91 Cb 0.38 -1.53 -0.04 0.00 0.53 0.00 0.00 43.42 42.76 2civ n LEU 91 CO 0.13 0.20 0.78 0.58 -1.11 0.00 0.00 177.39 177.97 2civ h VAL 92 N 5.35 0.67 -3.12 1.96 2.07 -1.89 -1.23 116.25 120.07 2civ h VAL 92 Ca -0.49 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.01 2civ h VAL 92 Cb 1.24 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 31.66 2civ h VAL 92 CO 0.94 0.00 0.21 0.54 0.02 0.00 0.00 177.57 179.28 2civ s ASN 93 N -5.08 0.02 0.09 0.57 2.20 -1.26 -2.22 114.94 109.26 2civ s ASN 93 Ca -0.14 -1.04 0.06 0.00 -0.94 0.00 0.00 52.86 50.79 2civ s ASN 93 Cb 0.10 0.80 -0.22 0.00 -2.00 0.00 0.00 41.25 39.92 2civ s ASN 93 CO 0.67 -1.56 1.18 -0.07 -2.94 0.00 0.00 177.10 174.38 2civ h LEU 94 N 2.02 0.06 -1.02 3.54 3.38 -1.52 -3.37 115.31 118.40 2civ h LEU 94 Ca -0.29 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 57.59 2civ h LEU 94 Cb 1.25 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.94 2civ h LEU 94 CO 0.36 1.05 0.40 0.74 0.09 0.00 0.00 178.44 181.08 2civ h THR 95 N 0.01 1.24 0.00 0.22 2.02 -1.81 -1.91 112.91 112.68 2civ h THR 95 Ca -0.06 -0.62 0.00 0.00 0.77 0.00 0.00 66.41 66.49 2civ h THR 95 Cb 1.83 0.22 0.00 0.00 -1.74 0.00 0.00 68.15 68.46 2civ h THR 95 CO 0.13 0.27 0.00 0.17 0.37 0.00 0.00 175.52 176.47 2civ h LEU 96 N 1.09 0.00 -0.80 2.58 8.10 -1.88 -0.54 115.31 123.86 2civ h LEU 96 Ca 0.27 0.00 0.00 0.00 0.11 0.00 0.00 57.88 58.26 2civ h LEU 96 Cb 0.07 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.29 2civ h LEU 96 CO -0.04 0.00 0.00 0.18 -4.11 0.00 0.00 178.44 174.47 2civ n LEU 97 N -2.85 0.52 -0.79 0.17 4.77 -0.72 -1.59 117.00 116.50 2civ n LEU 97 Ca -0.02 0.67 0.04 0.00 -0.03 0.00 0.00 56.01 56.66 2civ n LEU 97 Cb 0.10 -0.64 0.14 0.00 -2.33 0.00 0.00 43.42 40.70 2civ n LEU 97 CO 0.19 -0.64 0.55 0.00 -1.33 0.00 0.00 177.39 176.15 2civ n ALA 98 N -1.73 2.76 -1.67 -1.18 0.00 -0.21 -3.64 120.51 114.84 2civ n ALA 98 Ca 0.01 -0.63 -0.45 0.00 0.00 0.00 0.00 53.44 52.38 2civ n ALA 98 Cb 0.15 -1.01 -0.04 0.00 0.00 0.00 0.00 19.45 18.55 2civ n ALA 98 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2civ n GLU 99 N 0.29 2.59 -1.34 0.00 4.07 -0.62 -4.87 120.64 120.76 2civ n GLU 99 Ca 0.10 0.95 -0.31 0.00 -0.06 0.00 0.00 57.16 57.85 2civ n GLU 99 Cb 0.44 -2.86 0.10 0.00 -0.06 0.00 0.00 31.44 29.05 2civ n GLU 99 CO 0.00 0.00 0.00 -1.25 -0.06 0.00 0.00 177.13 175.82 2civ s PRO 100 N 4.26 2.11 -1.57 5.31 0.04 -1.26 -3.74 135.00 140.15 2civ s PRO 100 Ca 0.90 0.98 -0.11 0.00 0.04 0.00 0.00 61.00 62.82 2civ s PRO 100 Cb -0.54 -1.89 0.09 0.00 0.04 0.00 0.00 34.50 32.19 2civ s PRO 100 CO 0.46 -1.69 0.65 0.72 0.04 0.00 0.00 177.00 177.18 2civ n HIS 101 N -3.53 -1.74 0.00 0.56 8.25 -1.13 -4.85 115.22 112.77 2civ n HIS 101 Ca 0.08 0.78 0.00 0.00 -0.26 0.00 0.00 57.72 58.32 2civ n HIS 101 Cb 0.54 -3.33 0.00 0.00 1.12 0.00 0.00 29.99 28.32 2civ n HIS 101 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2civ n ALA 102 N -4.42 0.00 -0.06 -1.41 0.00 -1.25 -5.01 120.51 108.36 2civ n ALA 102 Ca -0.08 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.23 2civ n ALA 102 Cb 0.57 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.90 2civ n ALA 102 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 2civ h PHE 103 N 0.00 -0.00 -3.98 0.00 3.04 -1.85 -3.44 116.94 110.71 2civ h PHE 103 Ca 0.00 -0.00 -0.54 0.00 3.98 0.00 0.00 57.97 61.41 2civ h PHE 103 Cb 0.00 0.00 0.12 0.00 2.56 0.00 0.00 35.95 38.63 2civ h PHE 103 CO 0.00 0.89 0.71 -2.00 -2.02 0.00 0.00 178.31 175.89 2civ s GLU 104 N -2.35 3.78 0.16 1.11 -6.30 -1.24 -5.01 118.70 108.85 2civ s GLU 104 Ca -0.17 2.44 -0.07 0.00 -2.50 0.00 0.00 54.97 54.67 2civ s GLU 104 Cb -0.02 -2.72 -0.02 0.00 0.00 0.00 0.00 34.13 31.37 2civ s GLU 104 CO 0.64 -0.75 0.23 -3.38 0.02 0.00 0.00 175.26 172.03 2civ s HIS 105 N -1.19 0.54 1.03 5.30 -3.43 -1.26 -2.86 115.29 113.42 2civ s HIS 105 Ca 0.59 -0.90 -0.15 0.00 -0.80 0.00 0.00 55.06 53.81 2civ s HIS 105 Cb -0.44 -0.17 0.20 0.00 -1.43 0.00 0.00 32.58 30.75 2civ s HIS 105 CO 0.57 -0.68 1.14 -0.51 -2.00 0.00 0.00 174.74 173.26 2civ s ASP 106 N -3.00 2.44 -1.48 7.38 1.01 -1.26 -4.27 116.67 117.49 2civ s ASP 106 Ca 0.20 0.84 -0.08 0.00 0.71 0.00 0.00 52.55 54.22 2civ s ASP 106 Cb 0.04 -1.28 0.06 0.00 1.01 0.00 0.00 42.92 42.75 2civ s ASP 106 CO 0.01 -3.21 0.71 0.00 0.21 0.00 0.00 175.17 172.90 2civ n HIS 107 N -4.18 -1.91 -1.16 4.23 1.44 -1.26 -4.77 115.22 107.61 2civ n HIS 107 Ca 0.09 0.82 -0.31 0.00 -2.01 0.00 0.00 57.72 56.31 2civ n HIS 107 Cb 0.59 -3.80 0.11 0.00 0.12 0.00 0.00 29.99 27.01 2civ n HIS 107 CO 0.00 0.00 0.00 -1.12 -2.81 0.00 0.00 176.34 172.41 2civ s SER 108 N -3.86 4.10 0.28 4.39 0.01 -1.26 -4.66 113.70 112.70 2civ s SER 108 Ca 0.34 1.98 0.10 0.00 1.31 0.00 0.00 55.95 59.67 2civ s SER 108 Cb -0.18 -2.54 0.37 0.00 0.21 0.00 0.00 66.02 63.88 2civ s SER 108 CO 0.86 -2.31 1.62 -0.26 0.41 0.00 0.00 173.24 173.56 2civ h PHE 109 N -1.17 0.06 0.00 2.43 0.04 -1.94 -3.39 116.94 112.96 2civ h PHE 109 Ca -0.44 -0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.31 2civ h PHE 109 Cb 1.25 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 39.39 2civ h PHE 109 CO 0.55 0.63 0.00 -1.13 -0.60 0.00 0.00 178.31 177.75 2civ n SER 110 N -3.84 0.02 -4.38 2.17 3.41 -1.26 -3.68 113.62 106.06 2civ n SER 110 Ca -0.01 -1.01 -0.29 0.00 -0.26 0.00 0.00 58.87 57.30 2civ n SER 110 Cb 0.60 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 64.41 2civ n SER 110 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2civ s ARG 111 N -0.01 1.44 0.76 4.33 3.00 -1.26 -0.61 118.95 126.60 2civ s ARG 111 Ca 0.00 -1.31 -0.11 0.00 0.00 0.00 0.00 55.73 54.31 2civ s ARG 111 Cb 0.00 -1.88 0.05 0.00 0.00 0.00 0.00 34.95 33.11 2civ s ARG 111 CO 0.00 0.45 1.08 0.15 0.00 0.00 0.00 175.30 176.98 2civ s LYS 112 N -1.94 2.38 0.50 3.54 1.02 -1.26 -4.35 119.74 119.63 2civ s LYS 112 Ca 0.13 0.86 -0.15 0.00 0.02 0.00 0.00 55.97 56.84 2civ s LYS 112 Cb -0.10 -1.93 -0.07 0.00 -0.52 0.00 0.00 37.83 35.20 2civ s LYS 112 CO 0.05 -1.47 0.94 -0.51 -0.92 0.00 0.00 175.35 173.45 2civ s ASP 113 N -3.74 6.57 0.30 2.83 1.01 -1.26 -4.29 116.67 118.10 2civ s ASP 113 Ca 0.60 1.46 0.04 0.00 0.71 0.00 0.00 52.55 55.35 2civ s ASP 113 Cb -0.15 -2.46 0.63 0.00 1.01 0.00 0.00 42.92 41.95 2civ s ASP 113 CO 0.55 -0.56 1.85 0.22 0.21 0.00 0.00 175.17 177.43 2civ h TYR 114 N 0.91 1.05 -0.40 4.23 3.20 -1.91 -1.40 116.97 122.65 2civ h TYR 114 Ca -0.47 0.03 -0.27 0.00 3.14 0.00 0.00 58.73 61.17 2civ h TYR 114 Cb 1.19 -0.33 -0.18 0.00 1.54 0.00 0.00 36.73 38.94 2civ h TYR 114 CO 0.63 0.41 -0.37 1.63 -1.64 0.00 0.00 178.16 178.82 2civ n LYS 115 N -4.60 2.33 -2.15 1.82 5.02 -1.26 -1.20 118.16 118.12 2civ n LYS 115 Ca 0.18 -3.52 -0.42 0.00 -2.02 0.00 0.00 58.31 52.53 2civ n LYS 115 Cb 0.39 -1.92 -0.03 0.00 -0.02 0.00 0.00 35.03 33.45 2civ n LYS 115 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 2civ s GLN 116 N -3.39 4.20 -1.47 1.97 0.74 -0.53 -1.15 119.66 120.04 2civ s GLN 116 Ca 0.46 2.01 0.00 0.00 0.05 0.00 0.00 55.36 57.88 2civ s GLN 116 Cb 0.40 -3.90 0.00 0.00 1.10 0.00 0.00 33.01 30.62 2civ s GLN 116 CO -0.01 -0.79 0.00 0.41 -0.55 0.00 0.00 175.29 174.35 2civ n GLY 117 N 3.94 1.42 3.77 2.59 0.00 -0.23 -4.92 105.19 111.76 2civ n GLY 117 Ca 0.16 -0.37 -0.39 0.00 0.00 0.00 0.00 46.02 45.42 2civ n GLY 117 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2civ s VAL 118 N -2.52 4.27 0.15 1.61 -7.23 -1.23 -4.96 120.40 110.48 2civ s VAL 118 Ca 0.00 1.80 0.10 0.00 -1.81 0.00 0.00 61.98 62.07 2civ s VAL 118 Cb 0.00 -4.15 -0.11 0.00 0.56 0.00 0.00 36.38 32.69 2civ s VAL 118 CO 0.00 0.41 1.43 0.00 -0.31 0.00 0.00 175.10 176.63 2civ h ALA 119 N 3.96 0.61 -4.24 1.32 0.00 -1.94 -3.44 119.26 115.54 2civ h ALA 119 Ca -0.46 -0.73 -0.60 0.00 0.00 0.00 0.00 54.91 53.12 2civ h ALA 119 Cb 1.20 -0.13 -0.27 0.00 0.00 0.00 0.00 17.79 18.59 2civ h ALA 119 CO 0.66 1.00 -0.85 -0.80 0.00 0.00 0.00 179.25 179.26 2civ s ASN 120 N -6.71 2.49 0.44 0.00 -0.87 -1.26 -5.05 114.94 103.98 2civ s ASN 120 Ca 0.00 -0.46 0.14 0.00 -1.57 0.00 0.00 52.86 50.98 2civ s ASN 120 Cb 0.11 -0.24 1.05 0.00 -0.02 0.00 0.00 41.25 42.15 2civ s ASN 120 CO 0.79 0.21 1.99 0.77 -2.57 0.00 0.00 177.10 178.29 2civ h SER 121 N 5.20 0.34 1.20 -1.22 4.64 -2.00 -1.65 113.55 120.06 2civ h SER 121 Ca -0.41 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 2civ h SER 121 Cb 1.15 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.17 2civ h SER 121 CO 0.46 0.21 -0.03 0.59 -0.87 0.00 0.00 176.83 177.18 2civ n ASN 122 N -4.47 0.40 -4.83 4.97 5.03 -1.26 -4.90 115.26 110.20 2civ n ASN 122 Ca 0.09 0.50 -0.32 0.00 0.87 0.00 0.00 54.58 55.72 2civ n ASN 122 Cb 0.36 -0.60 -0.02 0.00 -1.02 0.00 0.00 39.78 38.51 2civ n ASN 122 CO 0.00 0.00 0.00 -1.81 -1.83 0.00 0.00 177.26 173.62 2civ s ASP 123 N -3.72 6.33 0.13 6.41 1.11 -0.62 -5.08 116.67 121.23 2civ s ASP 123 Ca 0.12 1.63 -0.10 0.00 0.18 0.00 0.00 52.55 54.38 2civ s ASP 123 Cb 0.16 -2.51 -0.00 0.00 1.07 0.00 0.00 42.92 41.64 2civ s ASP 123 CO 0.57 -0.79 0.26 0.72 1.18 0.00 0.00 175.17 177.11 2civ s PHE 124 N -2.63 0.22 0.35 4.23 -0.12 -1.26 -4.76 117.98 114.01 2civ s PHE 124 Ca 0.60 -0.61 0.04 0.00 -0.05 0.00 0.00 56.93 56.91 2civ s PHE 124 Cb -0.12 -0.01 -0.01 0.00 -0.63 0.00 0.00 43.02 42.24 2civ s PHE 124 CO 0.35 -0.65 0.14 0.44 -0.05 0.00 0.00 175.22 175.46 2civ n ILE 125 N -0.15 0.00 -2.31 -4.49 -5.35 -0.34 -5.03 119.36 101.68 2civ n ILE 125 Ca -0.12 -2.11 -0.40 0.00 -0.27 0.00 0.00 62.75 59.85 2civ n ILE 125 Cb 0.63 0.79 -0.03 0.00 -1.74 0.00 0.00 39.64 39.29 2civ n ILE 125 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 2civ s ASP 126 N -3.20 5.82 -0.21 7.28 -1.08 -1.26 -4.70 116.67 119.32 2civ s ASP 126 Ca 0.20 0.06 0.14 0.00 -0.52 0.00 0.00 52.55 52.43 2civ s ASP 126 Cb 0.01 -2.54 0.76 0.00 -1.46 0.00 0.00 42.92 39.69 2civ s ASP 126 CO 0.14 -2.01 1.67 -0.46 0.52 0.00 0.00 175.17 175.03 2civ n ASN 127 N 10.70 5.35 0.01 -0.34 6.94 -1.26 -4.32 115.26 132.34 2civ n ASN 127 Ca 0.12 -2.81 -0.01 0.00 -0.02 0.00 0.00 54.58 51.86 2civ n ASN 127 Cb 0.50 -0.66 -0.00 0.00 -2.36 0.00 0.00 39.78 37.26 2civ n ASN 127 CO 0.00 0.00 0.00 -1.14 -1.03 0.00 0.00 177.26 175.09 2civ n ARG 128 N 0.67 0.01 -2.43 -3.83 0.63 -1.26 -4.76 116.66 105.69 2civ n ARG 128 Ca 0.26 0.01 -0.35 0.00 -0.92 0.00 0.00 57.85 56.84 2civ n ARG 128 Cb 1.10 -0.52 -0.02 0.00 0.45 0.00 0.00 32.46 33.47 2civ n ARG 128 CO 0.00 0.00 0.00 -0.80 -2.51 0.00 0.00 177.63 174.32 2civ s ASN 129 N -5.26 6.24 0.15 6.15 0.01 -1.26 -4.06 114.94 116.91 2civ s ASN 129 Ca -0.01 2.07 -0.34 0.00 -0.71 0.00 0.00 52.86 53.87 2civ s ASN 129 Cb 0.00 -2.58 -0.15 0.00 0.41 0.00 0.00 41.25 38.93 2civ s ASN 129 CO 0.01 -0.85 1.38 0.33 -1.51 0.00 0.00 177.10 176.45 2civ n PHE 130 N -0.79 1.77 -4.06 2.20 7.35 -1.26 -4.69 117.46 117.98 2civ n PHE 130 Ca 0.09 0.52 -0.32 0.00 -0.76 0.00 0.00 57.45 56.98 2civ n PHE 130 Cb 0.51 -2.40 -0.15 0.00 0.35 0.00 0.00 39.48 37.79 2civ n PHE 130 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 2civ s ASP 131 N 0.46 4.32 0.21 -2.13 2.15 0.21 -5.02 116.67 116.88 2civ s ASP 131 Ca 0.78 -1.34 -0.09 0.00 0.43 0.00 0.00 52.55 52.34 2civ s ASP 131 Cb -0.81 -1.50 0.26 0.00 -0.30 0.00 0.00 42.92 40.56 2civ s ASP 131 CO 0.46 -0.19 1.81 0.00 -0.17 0.00 0.00 175.17 177.09 2civ h ALA 132 N 7.80 0.94 -0.48 3.66 0.00 -1.94 -1.29 119.26 127.95 2civ h ALA 132 Ca -0.20 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 2civ h ALA 132 Cb 1.05 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 2civ h ALA 132 CO 0.46 0.08 0.22 1.49 0.00 0.00 0.00 179.25 181.50 2civ h GLU 133 N 0.73 0.70 -0.38 0.00 4.22 -1.95 0.17 114.58 118.07 2civ h GLU 133 Ca 0.31 -0.11 -0.01 0.00 0.08 0.00 0.00 59.36 59.63 2civ h GLU 133 Cb 0.18 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 2civ h GLU 133 CO -0.18 0.61 0.19 1.15 -2.18 0.00 0.00 179.01 178.60 2civ h THR 134 N 0.63 1.16 -0.61 0.32 2.02 -1.72 -2.32 112.91 112.38 2civ h THR 134 Ca 0.16 -0.44 -0.03 0.00 0.77 0.00 0.00 66.41 66.88 2civ h THR 134 Cb 0.15 0.75 -0.03 0.00 -1.74 0.00 0.00 68.15 67.28 2civ h THR 134 CO -0.02 0.17 0.26 0.15 0.37 0.00 0.00 175.52 176.45 2civ h PHE 135 N 0.48 0.89 -0.20 3.16 3.57 -0.95 -1.09 116.94 122.79 2civ h PHE 135 Ca 0.13 -0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.57 2civ h PHE 135 Cb 0.09 -0.27 -0.01 0.00 2.79 0.00 0.00 35.95 38.55 2civ h PHE 135 CO -0.02 0.67 0.06 0.37 -2.23 0.00 0.00 178.31 177.16 2civ h GLN 136 N 0.88 0.27 -0.03 1.11 5.75 -0.45 -0.35 115.11 122.29 2civ h GLN 136 Ca 0.21 -0.03 -0.06 0.00 -0.15 0.00 0.00 58.65 58.62 2civ h GLN 136 Cb 0.15 -0.05 -0.01 0.00 1.07 0.00 0.00 27.48 28.64 2civ h GLN 136 CO -0.02 0.25 -0.24 1.79 -2.65 0.00 0.00 178.83 177.96 2civ h THR 137 N 0.28 1.19 -0.02 2.39 1.35 -0.71 0.96 112.91 118.35 2civ h THR 137 Ca 0.07 -0.90 -0.03 0.00 -0.55 0.00 0.00 66.41 65.00 2civ h THR 137 Cb 0.10 1.44 0.00 0.00 -1.73 0.00 0.00 68.15 67.97 2civ h THR 137 CO -0.00 0.26 -0.11 0.28 -0.25 0.00 0.00 175.52 175.70 2civ h SER 138 N 0.05 0.12 -0.36 5.36 0.02 -1.08 -3.31 113.55 114.35 2civ h SER 138 Ca 0.01 -0.69 -0.04 0.00 -0.84 0.00 0.00 61.79 60.23 2civ h SER 138 Cb 0.46 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 62.94 2civ h SER 138 CO 0.03 0.79 0.12 -0.07 -1.14 0.00 0.00 176.83 176.56 2civ h LEU 139 N -0.54 0.58 -1.91 5.07 3.38 -0.87 -2.90 115.31 118.12 2civ h LEU 139 Ca -0.01 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 2civ h LEU 139 Cb 0.79 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.39 2civ h LEU 139 CO 0.02 0.57 -0.07 0.44 0.09 0.00 0.00 178.44 179.49 2civ h ASP 140 N 0.62 0.00 -0.04 -0.43 3.32 -0.90 -0.48 116.42 118.51 2civ h ASP 140 Ca 0.14 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.18 2civ h ASP 140 Cb 0.22 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.76 2civ h ASP 140 CO -0.01 0.07 -0.01 0.58 -1.72 0.00 0.00 179.24 178.15 2civ h VAL 141 N 0.00 1.09 -0.48 -1.35 2.07 -1.61 -2.69 116.25 113.28 2civ h VAL 141 Ca -0.00 -0.34 -0.30 0.00 0.82 0.00 0.00 66.70 66.88 2civ h VAL 141 Cb 0.13 1.02 -0.19 0.00 -1.52 0.00 0.00 31.29 30.73 2civ h VAL 141 CO 0.01 0.11 -0.21 1.33 0.02 0.00 0.00 177.57 178.83 2civ n VAL 142 N -4.42 2.63 -1.75 2.57 0.24 -0.23 -5.03 118.33 112.34 2civ n VAL 142 Ca -0.01 -3.18 -0.39 0.00 -2.04 0.00 0.00 64.34 58.71 2civ n VAL 142 Cb 0.15 -0.59 0.04 0.00 -1.47 0.00 0.00 33.84 31.97 2civ n VAL 142 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2civ n ALA 143 N -1.01 1.74 -0.97 2.33 0.00 -0.96 -2.68 120.51 118.96 2civ n ALA 143 Ca 0.37 0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.98 2civ n ALA 143 Cb 0.95 -2.37 0.00 0.00 0.00 0.00 0.00 19.45 18.03 2civ n ALA 143 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2civ n GLY 144 N 0.70 0.46 3.62 0.00 0.00 -1.26 -5.01 105.19 103.69 2civ n GLY 144 Ca 0.09 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.85 2civ n GLY 144 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2civ s LYS 145 N -0.46 2.23 -0.11 1.61 1.02 -1.09 -5.04 119.74 117.90 2civ s LYS 145 Ca 0.00 -1.23 0.20 0.00 0.02 0.00 0.00 55.97 54.95 2civ s LYS 145 Cb 0.00 -2.23 -0.29 0.00 -0.52 0.00 0.00 37.83 34.78 2civ s LYS 145 CO 0.00 0.43 0.29 0.25 -0.92 0.00 0.00 175.35 175.40 2civ n THR 146 N -0.19 0.63 -4.14 2.17 -2.24 -1.26 -4.88 114.28 104.37 2civ n THR 146 Ca -0.10 -0.65 -0.10 0.00 -2.27 0.00 0.00 64.05 60.93 2civ n THR 146 Cb 0.56 -0.21 -0.10 0.00 -2.10 0.00 0.00 70.33 68.48 2civ n THR 146 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 2civ s HIS 147 N -3.03 0.79 0.05 4.78 3.76 -1.26 -1.35 115.29 119.04 2civ s HIS 147 Ca -0.09 -0.91 -0.08 0.00 -0.15 0.00 0.00 55.06 53.83 2civ s HIS 147 Cb 0.10 -0.48 -0.00 0.00 1.11 0.00 0.00 32.58 33.31 2civ s HIS 147 CO 0.86 -0.19 0.16 -0.59 -0.85 0.00 0.00 174.74 174.13 2civ s PHE 148 N -3.50 0.13 0.23 1.40 -0.12 -0.83 -4.94 117.98 110.35 2civ s PHE 148 Ca 0.09 -0.45 0.02 0.00 -0.05 0.00 0.00 56.93 56.54 2civ s PHE 148 Cb 0.05 -0.08 0.02 0.00 -0.63 0.00 0.00 43.02 42.38 2civ s PHE 148 CO -0.05 -0.45 0.17 -0.40 -0.05 0.00 0.00 175.22 174.44 2civ n ASP 149 N 0.47 1.75 -0.26 1.98 5.68 -1.26 -1.43 116.55 123.48 2civ n ASP 149 Ca -0.18 -1.80 -0.00 0.00 -0.50 0.00 0.00 54.79 52.32 2civ n ASP 149 Cb 0.60 -0.01 0.12 0.00 -1.14 0.00 0.00 41.12 40.69 2civ n ASP 149 CO 0.00 0.00 0.00 1.88 -1.33 0.00 0.00 177.20 177.75 2civ h TYR 150 N 0.58 0.78 -0.81 2.11 0.05 -1.93 -0.86 116.97 116.88 2civ h TYR 150 Ca -0.15 0.03 -0.01 0.00 0.05 0.00 0.00 58.73 58.65 2civ h TYR 150 Cb 0.53 -0.24 -0.04 0.00 1.01 0.00 0.00 36.73 38.00 2civ h TYR 150 CO 0.00 0.36 0.48 0.00 -1.05 0.00 0.00 178.16 177.95 2civ h ALA 151 N 1.39 1.04 -0.46 3.88 0.00 -1.87 -0.79 119.26 122.44 2civ h ALA 151 Ca 0.34 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 2civ h ALA 151 Cb 0.23 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 2civ h ALA 151 CO -0.20 0.51 0.21 -0.44 0.00 0.00 0.00 179.25 179.33 2civ h ASP 152 N 1.12 0.62 -0.68 0.00 3.32 -1.77 -1.86 116.42 117.15 2civ h ASP 152 Ca 0.29 -0.14 -0.02 0.00 0.02 0.00 0.00 57.03 57.17 2civ h ASP 152 Cb -0.02 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.33 2civ h ASP 152 CO -0.05 0.59 0.36 -0.03 -1.72 0.00 0.00 179.24 178.38 2civ h MET 153 N 0.60 0.99 -0.73 3.56 4.05 -0.75 -0.36 114.93 122.29 2civ h MET 153 Ca 0.16 -0.12 -0.00 0.00 -0.28 0.00 0.00 59.70 59.45 2civ h MET 153 Cb 0.15 -0.19 -0.04 0.00 -0.80 0.00 0.00 31.60 30.72 2civ h MET 153 CO -0.02 0.75 0.45 -0.97 0.23 0.00 0.00 176.91 177.35 2civ h ASN 154 N 0.99 0.87 -0.68 1.39 -1.24 -0.81 -1.25 115.58 114.85 2civ h ASN 154 Ca 0.25 -0.06 -0.06 0.00 0.71 0.00 0.00 56.30 57.14 2civ h ASN 154 Cb 0.07 -0.22 -0.03 0.00 0.73 0.00 0.00 38.32 38.87 2civ h ASN 154 CO -0.04 0.67 0.21 -0.33 -1.29 0.00 0.00 177.43 176.65 2civ h GLU 155 N 1.00 1.07 0.16 6.67 4.39 -0.62 -1.65 114.58 125.60 2civ h GLU 155 Ca 0.26 -0.23 -0.01 0.00 0.34 0.00 0.00 59.36 59.73 2civ h GLU 155 Cb -0.05 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 28.45 2civ h GLU 155 CO -0.05 0.92 -0.08 0.82 -1.16 0.00 0.00 179.01 179.46 2civ h ILE 156 N 1.03 0.87 -0.27 3.13 2.04 -0.50 -1.13 117.51 122.67 2civ h ILE 156 Ca 0.22 -0.11 -0.07 0.00 1.00 0.00 0.00 64.86 65.91 2civ h ILE 156 Cb 0.30 0.94 -0.02 0.00 -0.74 0.00 0.00 36.82 37.31 2civ h ILE 156 CO -0.01 0.03 -0.11 0.08 0.00 0.00 0.00 178.15 178.14 2civ h ARG 157 N -0.27 0.46 -0.60 2.37 -0.00 -1.15 -0.87 114.38 114.31 2civ h ARG 157 Ca -0.02 -0.12 -0.04 0.00 -0.00 0.00 0.00 59.98 59.79 2civ h ARG 157 Cb 0.21 -0.05 -0.03 0.00 -0.00 0.00 0.00 29.97 30.10 2civ h ARG 157 CO 0.04 0.57 0.21 -0.07 -0.00 0.00 0.00 179.97 180.72 2civ h LEU 158 N 0.43 0.86 -0.55 0.08 3.38 -1.15 0.62 115.31 118.97 2civ h LEU 158 Ca 0.08 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 2civ h LEU 158 Cb 0.46 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 2civ h LEU 158 CO 0.03 0.81 0.31 -0.61 0.09 0.00 0.00 178.44 179.07 2civ h GLN 159 N 0.85 0.75 -0.58 1.13 5.75 -0.58 -0.50 115.11 121.93 2civ h GLN 159 Ca 0.20 -0.08 -0.04 0.00 -0.15 0.00 0.00 58.65 58.57 2civ h GLN 159 Cb 0.25 -0.15 -0.02 0.00 1.07 0.00 0.00 27.48 28.62 2civ h GLN 159 CO -0.01 0.57 0.19 0.00 -2.65 0.00 0.00 178.83 176.93 2civ h ARG 160 N 0.73 0.89 -0.68 1.69 2.47 -0.92 -1.25 114.38 117.32 2civ h ARG 160 Ca 0.19 -0.19 0.01 0.00 -1.26 0.00 0.00 59.98 58.73 2civ h ARG 160 Cb 0.02 -0.13 -0.03 0.00 -1.65 0.00 0.00 29.97 28.18 2civ h ARG 160 CO -0.03 0.80 0.45 0.93 0.56 0.00 0.00 179.97 182.67 2civ h GLU 161 N 0.81 0.90 -0.37 0.04 5.08 -0.55 -1.50 114.58 119.00 2civ h GLU 161 Ca 0.19 -0.06 -0.09 0.00 -1.00 0.00 0.00 59.36 58.40 2civ h GLU 161 Cb 0.27 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 2civ h GLU 161 CO -0.01 0.60 -0.12 0.66 -1.00 0.00 0.00 179.01 179.14 2civ h SER 162 N 0.92 0.74 -0.25 1.42 4.64 -0.87 -0.04 113.55 120.11 2civ h SER 162 Ca 0.25 -0.38 -0.01 0.00 -0.47 0.00 0.00 61.79 61.18 2civ h SER 162 Cb -0.10 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 61.77 2civ h SER 162 CO -0.05 0.95 0.11 -0.07 -0.87 0.00 0.00 176.83 176.90 2civ h LEU 163 N 0.53 0.34 -0.51 5.97 3.38 -1.22 -2.34 115.31 121.46 2civ h LEU 163 Ca 0.09 -0.15 -0.07 0.00 0.09 0.00 0.00 57.88 57.85 2civ h LEU 163 Cb 0.65 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 2civ h LEU 163 CO 0.04 0.39 0.06 0.28 0.09 0.00 0.00 178.44 179.31 2civ h SER 164 N 0.27 0.83 -0.28 -0.43 0.02 -1.19 -0.10 113.55 112.68 2civ h SER 164 Ca 0.09 -0.27 -0.03 0.00 -0.84 0.00 0.00 61.79 60.73 2civ h SER 164 Cb 0.15 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.45 2civ h SER 164 CO -0.01 0.90 0.09 -1.13 -1.14 0.00 0.00 176.83 175.54 2civ h ASN 165 N 0.74 0.47 0.19 3.07 -1.24 -0.99 -0.41 115.58 117.41 2civ h ASN 165 Ca 0.15 -0.06 -0.26 0.00 0.71 0.00 0.00 56.30 56.84 2civ h ASN 165 Cb 0.43 -0.12 0.02 0.00 0.73 0.00 0.00 38.32 39.38 2civ h ASN 165 CO 0.01 0.47 -1.08 -0.33 -1.29 0.00 0.00 177.43 175.21 2civ h GLU 166 N 0.50 0.56 0.00 6.67 5.08 -1.12 -3.38 114.58 122.90 2civ h GLU 166 Ca 0.12 -0.66 -0.16 0.00 -1.00 0.00 0.00 59.36 57.67 2civ h GLU 166 Cb 0.19 0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.62 2civ h GLU 166 CO -0.00 1.26 -1.54 1.28 -1.00 0.00 0.00 179.01 179.01 2civ n LEU 167 N -3.78 0.68 -4.78 1.33 4.77 -0.07 -4.94 117.00 110.22 2civ n LEU 167 Ca -0.10 0.30 -0.35 0.00 -0.03 0.00 0.00 56.01 55.83 2civ n LEU 167 Cb 0.91 0.10 -0.00 0.00 -2.33 0.00 0.00 43.42 42.09 2civ n LEU 167 CO 0.55 0.14 0.77 -1.81 -1.33 0.00 0.00 177.39 175.71 2civ s ASP 168 N -5.58 5.81 0.23 -1.43 1.01 -0.18 -1.06 116.67 115.46 2civ s ASP 168 Ca -0.04 2.13 -0.31 0.00 0.71 0.00 0.00 52.55 55.04 2civ s ASP 168 Cb 0.09 -2.58 -0.14 0.00 1.01 0.00 0.00 42.92 41.30 2civ s ASP 168 CO 0.82 -1.16 1.34 0.33 0.21 0.00 0.00 175.17 176.71 2civ n PHE 169 N -1.27 1.95 -1.64 4.23 7.35 -0.30 -4.79 117.46 122.99 2civ n PHE 169 Ca 0.11 0.50 -0.50 0.00 -0.76 0.00 0.00 57.45 56.80 2civ n PHE 169 Cb 0.51 -2.41 -0.05 0.00 0.35 0.00 0.00 39.48 37.88 2civ n PHE 169 CO 0.00 0.00 0.00 -2.30 -0.76 0.00 0.00 176.76 173.70 2civ n PRO 170 N 1.88 1.66 0.00 -7.13 -0.02 -1.26 -1.22 135.00 128.90 2civ n PRO 170 Ca 0.12 0.60 0.00 0.00 -2.02 0.00 0.00 63.50 62.20 2civ n PRO 170 Cb 0.30 -2.32 0.00 0.00 -0.02 0.00 0.00 33.50 31.46 2civ n PRO 170 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2civ n GLY 171 N 3.23 2.44 0.06 -1.23 0.00 -1.26 -4.92 105.19 103.51 2civ n GLY 171 Ca 0.19 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.08 2civ n GLY 171 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 2civ h TRP 172 N 0.00 -0.01 -2.10 1.61 2.91 -1.50 -3.46 115.95 113.41 2civ h TRP 172 Ca 0.00 -0.00 -0.61 0.00 1.13 0.00 0.00 58.89 59.41 2civ h TRP 172 Cb 0.00 0.00 0.06 0.00 -0.51 0.00 0.00 29.16 28.71 2civ h TRP 172 CO 0.00 0.68 0.69 0.34 -1.03 0.00 0.00 178.44 179.12 2civ n PHE 173 N -4.76 2.04 -3.72 2.65 7.35 -1.26 -4.97 117.46 114.79 2civ n PHE 173 Ca -0.09 0.38 -0.22 0.00 -0.76 0.00 0.00 57.45 56.77 2civ n PHE 173 Cb 0.34 -2.48 -0.18 0.00 0.35 0.00 0.00 39.48 37.52 2civ n PHE 173 CO 0.00 0.00 0.00 0.99 -0.76 0.00 0.00 176.76 176.99 2civ s THR 174 N 0.77 0.14 0.31 -2.13 2.01 -1.26 -5.09 115.64 110.37 2civ s THR 174 Ca 0.80 0.25 -0.29 0.00 0.31 0.00 0.00 61.69 62.76 2civ s THR 174 Cb -0.76 -0.36 -0.10 0.00 0.01 0.00 0.00 72.50 71.29 2civ s THR 174 CO 0.41 0.20 1.25 -0.70 -0.69 0.00 0.00 174.62 175.09 2civ s GLU 175 N 2.07 4.43 -0.43 4.92 2.12 -1.26 -4.27 118.70 126.28 2civ s GLU 175 Ca 0.05 2.10 0.08 0.00 0.36 0.00 0.00 54.97 57.56 2civ s GLU 175 Cb -0.12 -3.11 0.27 0.00 0.26 0.00 0.00 34.13 31.43 2civ s GLU 175 CO -0.04 -0.09 0.61 0.43 -0.54 0.00 0.00 175.26 175.63 2civ n SER 176 N 1.06 1.04 -0.17 -1.70 7.64 -1.26 -4.97 113.62 115.26 2civ n SER 176 Ca 0.00 -2.91 -0.09 0.00 1.01 0.00 0.00 58.87 56.89 2civ n SER 176 Cb 0.43 -0.64 0.01 0.00 -1.01 0.00 0.00 64.21 62.99 2civ n SER 176 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 2civ h LYS 177 N 3.80 0.75 -0.31 1.43 1.57 -1.97 -2.45 116.57 119.40 2civ h LYS 177 Ca 0.10 -0.16 -0.00 0.00 -1.87 0.00 0.00 60.65 58.71 2civ h LYS 177 Cb 0.85 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.03 2civ h LYS 177 CO 0.54 0.71 0.18 -1.35 -0.57 0.00 0.00 179.45 178.96 2civ h PRO 178 N 0.64 0.42 -0.08 3.15 0.11 -1.94 -0.25 132.00 134.06 2civ h PRO 178 Ca 0.16 -0.04 -0.09 0.00 0.11 0.00 0.00 66.00 66.14 2civ h PRO 178 Cb 0.27 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.30 2civ h PRO 178 CO -0.00 0.33 -0.29 0.82 -0.21 0.00 0.00 178.00 178.64 2civ h ILE 179 N 0.39 1.41 -0.74 4.15 2.04 -1.91 -2.78 117.51 120.07 2civ h ILE 179 Ca 0.11 -1.66 0.07 0.00 1.00 0.00 0.00 64.86 64.38 2civ h ILE 179 Cb 0.02 2.26 -0.06 0.00 -0.74 0.00 0.00 36.82 38.29 2civ h ILE 179 CO -0.02 0.48 0.42 -0.61 0.00 0.00 0.00 178.15 178.42 2civ h GLN 180 N -0.13 0.73 0.00 2.37 4.15 -1.43 -2.56 115.11 118.24 2civ h GLN 180 Ca -0.01 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.36 2civ h GLN 180 Cb 0.92 -0.17 0.00 0.00 0.21 0.00 0.00 27.48 28.45 2civ h GLN 180 CO 0.06 0.48 -0.14 -0.91 -1.93 0.00 0.00 178.83 176.39 2civ h ASN 181 N 0.75 0.00 -0.45 -0.69 2.35 -1.04 0.17 115.58 116.68 2civ h ASN 181 Ca 0.34 -0.05 -0.00 0.00 -0.55 0.00 0.00 56.30 56.04 2civ h ASN 181 Cb 0.24 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.59 2civ h ASN 181 CO -0.20 0.02 0.26 0.58 -1.65 0.00 0.00 177.43 176.44 2civ h VAL 182 N 0.00 1.15 -0.48 2.81 2.07 -1.21 -1.66 116.25 118.93 2civ h VAL 182 Ca 0.00 -0.35 -0.04 0.00 0.82 0.00 0.00 66.70 67.13 2civ h VAL 182 Cb 0.75 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 2civ h VAL 182 CO 0.00 0.15 0.12 -0.33 0.02 0.00 0.00 177.57 177.53 2civ h GLU 183 N 0.59 0.72 -0.35 1.57 5.08 -0.70 0.13 114.58 121.62 2civ h GLU 183 Ca 0.16 -0.13 0.06 0.00 -1.00 0.00 0.00 59.36 58.45 2civ h GLU 183 Cb 0.01 -0.12 -0.06 0.00 0.50 0.00 0.00 28.75 29.09 2civ h GLU 183 CO -0.03 0.65 -0.01 0.77 -1.00 0.00 0.00 179.01 179.39 2civ h SER 184 N 0.70 -0.15 -0.97 1.42 0.02 -0.58 -1.07 113.55 112.92 2civ h SER 184 Ca 0.16 0.08 0.02 0.00 -0.84 0.00 0.00 61.79 61.21 2civ h SER 184 Cb 0.25 0.15 -0.05 0.00 0.14 0.00 0.00 62.40 62.89 2civ h SER 184 CO -0.00 -0.04 0.64 1.23 -1.14 0.00 0.00 176.83 177.51 2civ h GLY 185 N 0.09 1.37 0.79 -3.77 0.00 -0.30 -2.20 103.07 99.06 2civ h GLY 185 Ca 0.17 -0.50 0.05 0.00 0.00 0.00 0.00 47.33 47.05 2civ h GLY 185 CO -0.29 0.47 0.59 0.74 0.00 0.00 0.00 176.54 178.05 2civ h PHE 186 N 1.28 1.09 -0.24 5.60 0.04 -0.19 0.87 116.94 125.39 2civ h PHE 186 Ca 0.36 0.03 -0.02 0.00 2.80 0.00 0.00 57.97 61.14 2civ h PHE 186 Cb -0.11 -0.36 -0.01 0.00 2.20 0.00 0.00 35.95 37.68 2civ h PHE 186 CO -0.00 0.59 0.06 0.82 -0.60 0.00 0.00 178.31 179.18 2civ h ILE 187 N 1.09 1.21 -0.64 -0.55 2.04 -0.62 -0.40 117.51 119.63 2civ h ILE 187 Ca 0.38 -0.68 -0.02 0.00 1.00 0.00 0.00 64.86 65.54 2civ h ILE 187 Cb 0.10 1.20 -0.03 0.00 -0.74 0.00 0.00 36.82 37.35 2civ h ILE 187 CO -0.15 0.22 0.32 -0.26 0.00 0.00 0.00 178.15 178.28 2civ h PHE 188 N 0.22 0.89 -0.59 1.37 0.04 -1.11 0.33 116.94 118.08 2civ h PHE 188 Ca 0.08 -0.03 -0.09 0.00 2.80 0.00 0.00 57.97 60.73 2civ h PHE 188 Cb 0.28 -0.28 -0.02 0.00 2.20 0.00 0.00 35.95 38.12 2civ h PHE 188 CO 0.01 0.64 0.02 0.00 -0.60 0.00 0.00 178.31 178.38 2civ h ALA 189 N 1.45 0.79 0.09 2.45 0.00 -0.38 -2.40 119.26 121.26 2civ h ALA 189 Ca 0.22 -0.30 -0.26 0.00 0.00 0.00 0.00 54.91 54.58 2civ h ALA 189 Cb 0.07 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 2civ h ALA 189 CO -0.03 0.62 -1.33 1.25 0.00 0.00 0.00 179.25 179.75 2civ h LEU 190 N 0.93 0.28 -2.88 0.00 5.85 -0.80 -3.42 115.31 115.27 2civ h LEU 190 Ca 0.17 -0.81 -0.00 0.00 0.84 0.00 0.00 57.88 58.08 2civ h LEU 190 Cb 0.53 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.46 2civ h LEU 190 CO 0.03 1.57 -0.12 1.33 -0.34 0.00 0.00 178.44 180.91 2civ n VAL 191 N -4.03 1.66 -1.92 1.05 0.24 0.08 -4.80 118.33 110.61 2civ n VAL 191 Ca -0.26 -2.06 -0.32 0.00 -2.04 0.00 0.00 64.34 59.66 2civ n VAL 191 Cb 0.84 -0.13 0.02 0.00 -1.47 0.00 0.00 33.84 33.10 2civ n VAL 191 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 2civ s SER 192 N -2.67 5.68 -0.95 -1.34 1.04 -0.90 -1.60 113.70 112.95 2civ s SER 192 Ca 0.29 1.77 -0.22 0.00 0.48 0.00 0.00 55.95 58.26 2civ s SER 192 Cb 0.26 -2.52 0.07 0.00 0.10 0.00 0.00 66.02 63.93 2civ s SER 192 CO 0.01 -1.24 1.31 -0.62 0.98 0.00 0.00 173.24 173.69 2civ s ASP 193 N -3.04 6.49 0.00 7.02 -1.08 0.60 -4.80 116.67 121.87 2civ s ASP 193 Ca 0.62 -1.52 0.14 0.00 -0.52 0.00 0.00 52.55 51.27 2civ s ASP 193 Cb -0.15 -2.51 0.70 0.00 -1.46 0.00 0.00 42.92 39.50 2civ s ASP 193 CO 0.41 -1.40 1.39 2.22 0.52 0.00 0.00 175.17 178.31 2civ n PHE 194 N 8.17 0.00 1.19 -5.34 1.16 -1.26 -2.19 117.46 119.19 2civ n PHE 194 Ca 0.26 0.00 0.14 0.00 -1.87 0.00 0.00 57.45 55.98 2civ n PHE 194 Cb 0.50 -0.31 0.58 0.00 -1.61 0.00 0.00 39.48 38.64 2civ n PHE 194 CO 0.00 0.00 0.00 0.09 -1.87 0.00 0.00 176.76 174.98 2civ n ASN 195 N -1.31 0.20 -4.82 5.98 5.03 -1.26 -4.79 115.26 114.30 2civ n ASN 195 Ca 0.06 -0.03 -0.37 0.00 0.87 0.00 0.00 54.58 55.11 2civ n ASN 195 Cb 0.12 -0.22 -0.06 0.00 -1.02 0.00 0.00 39.78 38.60 2civ n ASN 195 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 2civ s LEU 196 N -2.78 4.45 0.51 3.41 1.43 -0.93 -4.99 118.68 119.78 2civ s LEU 196 Ca 0.20 1.29 0.16 0.00 -1.03 0.00 0.00 54.13 54.76 2civ s LEU 196 Cb 0.19 -3.18 1.25 0.00 0.03 0.00 0.00 46.19 44.48 2civ s LEU 196 CO 0.53 0.17 2.13 1.55 0.23 0.00 0.00 176.35 180.96 2civ h PRO 197 N 4.03 0.00 -0.55 1.29 0.13 -1.89 -2.73 132.00 132.29 2civ h PRO 197 Ca -0.49 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.40 2civ h PRO 197 Cb 1.20 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.19 2civ h PRO 197 CO 0.65 0.03 0.16 -0.40 -0.23 0.00 0.00 178.00 178.20 2civ n ASP 198 N -4.48 3.28 -0.11 1.44 5.75 -1.26 -4.77 116.55 116.40 2civ n ASP 198 Ca -0.03 -3.56 -0.05 0.00 -0.01 0.00 0.00 54.79 51.13 2civ n ASP 198 Cb 0.11 -0.69 0.02 0.00 -1.03 0.00 0.00 41.12 39.54 2civ n ASP 198 CO 0.00 0.00 0.00 -1.13 -0.11 0.00 0.00 177.20 175.96 2civ h ASN 199 N 1.33 0.03 -0.75 -1.12 -0.73 -1.75 0.17 115.58 112.76 2civ h ASN 199 Ca 0.30 0.06 -0.02 0.00 1.87 0.00 0.00 56.30 58.51 2civ h ASN 199 Cb 2.02 0.08 -0.04 0.00 0.27 0.00 0.00 38.32 40.65 2civ h ASN 199 CO 0.59 0.05 0.41 0.44 -0.37 0.00 0.00 177.43 178.54 2civ h ASP 200 N 0.21 0.94 0.56 1.15 3.32 -1.88 -2.17 116.42 118.56 2civ h ASP 200 Ca 0.18 -0.10 -0.29 0.00 0.02 0.00 0.00 57.03 56.84 2civ h ASP 200 Cb 0.20 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.51 2civ h ASP 200 CO -0.23 0.77 -1.35 1.05 -1.72 0.00 0.00 179.24 177.77 2civ h GLU 201 N 1.04 0.26 -2.03 3.56 4.11 -1.90 -3.41 114.58 116.22 2civ h GLU 201 Ca 0.26 -0.45 -0.52 0.00 0.07 0.00 0.00 59.36 58.73 2civ h GLU 201 Cb 0.04 0.17 -0.40 0.00 0.50 0.00 0.00 28.75 29.06 2civ h GLU 201 CO -0.04 1.18 -1.12 -1.71 0.07 0.00 0.00 179.01 177.39 2civ n ASN 202 N -3.50 0.96 -4.77 3.06 5.15 0.59 -5.12 115.26 111.63 2civ n ASN 202 Ca -0.11 -2.97 -0.40 0.00 -0.60 0.00 0.00 54.58 50.49 2civ n ASN 202 Cb 1.03 -0.62 -0.02 0.00 -0.53 0.00 0.00 39.78 39.64 2civ n ASN 202 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 2civ s PRO 203 N -2.12 4.32 -0.13 1.20 0.04 -0.83 -4.65 135.00 132.83 2civ s PRO 203 Ca 0.39 2.12 0.02 0.00 0.04 0.00 0.00 61.00 63.57 2civ s PRO 203 Cb 0.28 -3.01 0.01 0.00 0.04 0.00 0.00 34.50 31.82 2civ s PRO 203 CO -0.09 -0.18 -0.20 -0.51 0.04 0.00 0.00 177.00 176.06 2civ s LEU 204 N -1.89 2.01 0.15 -3.56 1.43 -1.26 -4.61 118.68 110.95 2civ s LEU 204 Ca 0.50 -0.56 -0.31 0.00 -1.03 0.00 0.00 54.13 52.73 2civ s LEU 204 Cb -0.38 -1.35 -0.09 0.00 0.03 0.00 0.00 46.19 44.40 2civ s LEU 204 CO 0.49 0.06 1.47 -0.69 0.23 0.00 0.00 176.35 177.92 2civ s VAL 205 N 0.85 2.96 -0.38 -1.59 1.01 -0.51 -0.29 120.40 122.45 2civ s VAL 205 Ca -0.07 0.70 -0.28 0.00 0.00 0.00 0.00 61.98 62.32 2civ s VAL 205 Cb -0.15 -3.45 0.02 0.00 0.00 0.00 0.00 36.38 32.80 2civ s VAL 205 CO -0.02 0.06 1.07 -0.13 0.00 0.00 0.00 175.10 176.08 2civ s ARG 206 N 0.99 3.93 0.22 2.72 0.52 -0.63 -1.97 118.95 124.72 2civ s ARG 206 Ca 0.66 0.84 -0.09 0.00 -0.52 0.00 0.00 55.73 56.63 2civ s ARG 206 Cb -0.40 -3.80 0.18 0.00 0.52 0.00 0.00 34.95 31.45 2civ s ARG 206 CO 0.32 -1.06 1.85 0.82 0.02 0.00 0.00 175.30 177.25 2civ h ILE 207 N 5.90 1.24 -0.73 1.52 2.04 -1.54 -1.51 117.51 124.43 2civ h ILE 207 Ca -0.22 -0.57 -0.02 0.00 1.00 0.00 0.00 64.86 65.06 2civ h ILE 207 Cb 1.06 0.12 -0.03 0.00 -0.74 0.00 0.00 36.82 37.22 2civ h ILE 207 CO 1.05 0.26 0.38 -2.24 0.00 0.00 0.00 178.15 177.60 2civ h ASP 208 N 1.14 0.93 -0.52 1.72 2.03 -1.93 0.10 116.42 119.89 2civ h ASP 208 Ca 0.29 -0.11 0.02 0.00 -0.73 0.00 0.00 57.03 56.50 2civ h ASP 208 Cb 0.00 -0.24 -0.03 0.00 -0.83 0.00 0.00 39.33 38.23 2civ h ASP 208 CO -0.05 0.78 0.32 -0.50 -1.03 0.00 0.00 179.24 178.76 2civ h TRP 209 N 1.01 0.61 -0.22 4.15 6.55 -1.84 -0.53 115.95 125.67 2civ h TRP 209 Ca 0.25 0.02 -0.01 0.00 0.95 0.00 0.00 58.89 60.10 2civ h TRP 209 Cb 0.07 -0.20 -0.01 0.00 -0.86 0.00 0.00 29.16 28.16 2civ h TRP 209 CO 0.00 0.36 0.11 2.35 -1.05 0.00 0.00 178.44 180.21 2civ h TRP 210 N 0.65 0.32 -0.74 0.49 7.01 -0.72 -1.28 115.95 121.69 2civ h TRP 210 Ca 0.21 -0.02 -0.05 0.00 2.11 0.00 0.00 58.89 61.14 2civ h TRP 210 Cb -0.00 -0.10 -0.03 0.00 -2.10 0.00 0.00 29.16 26.92 2civ h TRP 210 CO -0.06 0.32 0.25 -0.22 -2.79 0.00 0.00 178.44 175.94 2civ h LYS 211 N 0.23 1.13 0.11 2.65 3.64 -0.67 -1.15 116.57 122.51 2civ h LYS 211 Ca 0.08 -0.23 -0.01 0.00 -1.27 0.00 0.00 60.65 59.22 2civ h LYS 211 Cb 0.12 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 31.77 2civ h LYS 211 CO -0.01 0.95 -0.05 -0.92 -2.27 0.00 0.00 179.45 177.15 2civ h TYR 212 N 1.09 -0.13 -0.30 1.91 5.03 -0.93 0.06 116.97 123.70 2civ h TYR 212 Ca 0.24 -0.00 0.04 0.00 2.58 0.00 0.00 58.73 61.58 2civ h TYR 212 Cb 0.28 0.04 -0.04 0.00 1.55 0.00 0.00 36.73 38.57 2civ h TYR 212 CO 0.02 0.04 0.09 2.35 -1.32 0.00 0.00 178.16 179.34 2civ h TRP 213 N -0.28 0.15 -0.11 -3.82 7.01 -1.01 0.22 115.95 118.11 2civ h TRP 213 Ca -0.01 0.02 -0.13 0.00 2.11 0.00 0.00 58.89 60.87 2civ h TRP 213 Cb 0.23 -0.02 0.00 0.00 -2.10 0.00 0.00 29.16 27.27 2civ h TRP 213 CO -0.03 0.06 -0.43 0.74 -2.79 0.00 0.00 178.44 175.99 2civ h PHE 214 N 0.21 0.65 -0.13 2.65 -1.00 -1.19 -0.71 116.94 117.43 2civ h PHE 214 Ca 0.14 -0.27 -0.21 0.00 2.81 0.00 0.00 57.97 60.44 2civ h PHE 214 Cb 0.12 -0.11 0.01 0.00 3.61 0.00 0.00 35.95 39.59 2civ h PHE 214 CO -0.15 1.03 -0.72 1.15 -1.61 0.00 0.00 178.31 178.02 2civ h THR 215 N 0.09 1.30 0.00 -1.55 2.02 -0.90 -3.32 112.91 110.55 2civ h THR 215 Ca -0.02 -1.95 0.00 0.00 0.77 0.00 0.00 66.41 65.21 2civ h THR 215 Cb 1.06 2.06 0.00 0.00 -1.74 0.00 0.00 68.15 69.53 2civ h THR 215 CO 0.09 0.61 -1.25 0.59 0.37 0.00 0.00 175.52 175.93 2civ n ASN 216 N -4.01 0.56 -4.07 4.18 3.02 0.06 -4.47 115.26 110.53 2civ n ASN 216 Ca -0.08 0.07 -0.29 0.00 -0.03 0.00 0.00 54.58 54.25 2civ n ASN 216 Cb 0.72 0.94 -0.03 0.00 -0.61 0.00 0.00 39.78 40.80 2civ n ASN 216 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2civ n GLU 217 N -2.33 -3.13 -4.03 3.52 1.02 -0.27 -4.66 120.64 110.76 2civ n GLU 217 Ca -0.00 0.38 -0.13 0.00 -0.02 0.00 0.00 57.16 57.38 2civ n GLU 217 Cb 0.52 -4.66 -0.03 0.00 -0.02 0.00 0.00 31.44 27.25 2civ n GLU 217 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2civ s SER 218 N -4.01 0.68 -0.13 1.62 0.15 -1.25 -3.94 113.70 106.82 2civ s SER 218 Ca 0.25 -1.39 -0.09 0.00 0.70 0.00 0.00 55.95 55.42 2civ s SER 218 Cb -0.14 0.70 -0.05 0.00 -1.71 0.00 0.00 66.02 64.83 2civ s SER 218 CO 0.91 -1.37 0.19 -0.36 1.20 0.00 0.00 173.24 173.80 2civ s PHE 219 N -2.95 3.55 0.00 3.44 0.08 -1.26 -4.11 117.98 116.73 2civ s PHE 219 Ca 0.27 0.54 -0.02 0.00 0.12 0.00 0.00 56.93 57.84 2civ s PHE 219 Cb -0.01 -2.08 -0.10 0.00 -0.57 0.00 0.00 43.02 40.26 2civ s PHE 219 CO 0.18 0.57 2.43 -0.35 -0.10 0.00 0.00 175.22 177.95 2civ n PRO 220 N 2.50 1.27 -0.33 0.24 -0.04 -1.26 -4.54 135.00 132.84 2civ n PRO 220 Ca -0.17 -0.36 0.15 0.00 -0.04 0.00 0.00 63.50 63.08 2civ n PRO 220 Cb 0.54 -1.40 0.38 0.00 -0.04 0.00 0.00 33.50 32.98 2civ n PRO 220 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 2civ h TYR 221 N 2.03 0.94 0.00 0.54 0.05 -1.93 -1.17 116.97 117.43 2civ h TYR 221 Ca 0.07 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.88 2civ h TYR 221 Cb 1.10 -0.28 0.00 0.00 1.01 0.00 0.00 36.73 38.56 2civ h TYR 221 CO 0.83 0.19 0.00 0.45 -1.05 0.00 0.00 178.16 178.57 2civ h HIS 222 N 0.65 0.00 -0.72 4.88 3.86 -1.88 -1.19 115.15 120.75 2civ h HIS 222 Ca 0.57 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.78 2civ h HIS 222 Cb 1.04 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.51 2civ h HIS 222 CO -0.00 0.00 0.00 1.28 0.86 0.00 0.00 177.93 180.07 2civ n LEU 223 N -2.89 4.26 0.00 2.43 4.77 -0.47 -4.94 117.00 120.17 2civ n LEU 223 Ca -0.01 -2.14 0.00 0.00 -0.03 0.00 0.00 56.01 53.83 2civ n LEU 223 Cb 0.18 -0.53 0.00 0.00 -2.33 0.00 0.00 43.42 40.74 2civ n LEU 223 CO 0.22 0.94 0.00 0.61 -1.33 0.00 0.00 177.39 177.82 2civ n GLY 224 N 1.52 0.70 3.76 -0.72 0.00 -0.45 -5.02 105.19 104.98 2civ n GLY 224 Ca 0.25 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.91 2civ n GLY 224 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 2civ s TRP 225 N -2.72 2.49 0.12 1.61 -0.00 -1.05 -4.99 118.94 114.40 2civ s TRP 225 Ca 0.00 1.51 -0.07 0.00 -0.00 0.00 0.00 56.10 57.54 2civ s TRP 225 Cb 0.00 -3.47 -0.01 0.00 -0.00 0.00 0.00 33.47 29.99 2civ s TRP 225 CO 0.00 -2.09 0.20 -3.38 -0.00 0.00 0.00 176.95 171.68 2civ s HIS 226 N -1.58 0.37 0.20 5.86 -3.43 -1.26 -4.27 115.29 111.18 2civ s HIS 226 Ca 0.74 -0.78 -0.33 0.00 -0.80 0.00 0.00 55.06 53.90 2civ s HIS 226 Cb -0.30 -0.14 -0.14 0.00 -1.43 0.00 0.00 32.58 30.57 2civ s HIS 226 CO 0.34 -0.60 1.37 -2.30 -2.00 0.00 0.00 174.74 171.55 2civ n PRO 227 N -0.12 1.77 -1.62 -0.38 -0.02 -1.26 -4.89 135.00 128.48 2civ n PRO 227 Ca -0.11 0.63 -0.44 0.00 -2.02 0.00 0.00 63.50 61.57 2civ n PRO 227 Cb 0.63 -2.27 -0.01 0.00 -0.02 0.00 0.00 33.50 31.82 2civ n PRO 227 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2civ n PRO 228 N 2.25 1.59 -3.72 0.52 -0.02 -1.26 -4.84 135.00 129.52 2civ n PRO 228 Ca 0.14 0.56 -0.21 0.00 -2.02 0.00 0.00 63.50 61.97 2civ n PRO 228 Cb 0.28 -2.00 -0.18 0.00 -0.02 0.00 0.00 33.50 31.58 2civ n PRO 228 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2civ s SER 229 N -0.44 1.29 0.90 2.55 0.15 -1.26 -3.51 113.70 113.38 2civ s SER 229 Ca 0.58 0.01 -0.11 0.00 0.70 0.00 0.00 55.95 57.13 2civ s SER 229 Cb -0.67 -0.27 0.13 0.00 -1.71 0.00 0.00 66.02 63.51 2civ s SER 229 CO 0.60 -0.22 1.09 -2.16 1.20 0.00 0.00 173.24 173.75 2civ s PRO 230 N 2.04 1.26 0.32 5.44 0.04 -1.26 -5.08 135.00 137.76 2civ s PRO 230 Ca 0.04 0.95 -0.28 0.00 0.04 0.00 0.00 61.00 61.75 2civ s PRO 230 Cb -0.12 -1.80 -0.13 0.00 0.04 0.00 0.00 34.50 32.49 2civ s PRO 230 CO -0.04 -2.28 1.16 0.00 0.04 0.00 0.00 177.00 175.89 2civ n ALA 231 N -3.93 0.61 -1.77 8.56 0.00 -1.23 -4.93 120.51 117.83 2civ n ALA 231 Ca 0.07 0.37 -0.40 0.00 0.00 0.00 0.00 53.44 53.49 2civ n ALA 231 Cb 0.54 -2.15 -0.01 0.00 0.00 0.00 0.00 19.45 17.84 2civ n ALA 231 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2civ s ARG 232 N -1.74 4.06 0.35 0.00 1.81 -0.08 -4.68 118.95 118.67 2civ s ARG 232 Ca 0.57 2.21 0.08 0.00 -1.72 0.00 0.00 55.73 56.87 2civ s ARG 232 Cb -0.63 -2.84 -0.04 0.00 -0.45 0.00 0.00 34.95 30.99 2civ s ARG 232 CO 0.61 -0.43 0.13 -1.21 -0.68 0.00 0.00 175.30 173.72 2civ s GLU 233 N -2.13 2.32 0.42 3.54 0.41 -1.26 -1.15 118.70 120.86 2civ s GLU 233 Ca 0.55 -1.60 0.11 0.00 -0.41 0.00 0.00 54.97 53.62 2civ s GLU 233 Cb -0.39 -2.13 0.96 0.00 -1.78 0.00 0.00 34.13 30.79 2civ s GLU 233 CO 0.51 0.09 2.01 0.97 -0.49 0.00 0.00 175.26 178.35 2civ h ILE 234 N 1.56 0.98 -0.75 -1.63 6.09 -1.91 -2.19 117.51 119.67 2civ h ILE 234 Ca -0.43 -0.16 0.07 0.00 -1.37 0.00 0.00 64.86 62.97 2civ h ILE 234 Cb 1.25 0.47 -0.06 0.00 0.47 0.00 0.00 36.82 38.95 2civ h ILE 234 CO 0.64 0.09 0.42 -0.08 -3.07 0.00 0.00 178.15 176.15 2civ h GLU 235 N 0.47 0.73 -0.35 2.19 4.22 -1.96 -1.11 114.58 118.77 2civ h GLU 235 Ca 0.23 -0.04 -0.00 0.00 0.08 0.00 0.00 59.36 59.62 2civ h GLU 235 Cb 0.30 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 2civ h GLU 235 CO -0.06 0.48 0.21 0.35 -2.18 0.00 0.00 179.01 177.81 2civ h PHE 236 N 0.75 0.46 -0.06 0.92 3.04 -1.81 -0.85 116.94 119.39 2civ h PHE 236 Ca 0.34 -0.00 -0.00 0.00 3.98 0.00 0.00 57.97 62.29 2civ h PHE 236 Cb 0.26 -0.15 -0.00 0.00 2.56 0.00 0.00 35.95 38.61 2civ h PHE 236 CO -0.07 0.34 0.03 0.28 -2.02 0.00 0.00 178.31 176.87 2civ h VAL 237 N 0.45 1.08 0.00 1.41 2.07 -1.37 -0.71 116.25 119.18 2civ h VAL 237 Ca 0.12 -0.24 -0.15 0.00 0.82 0.00 0.00 66.70 67.25 2civ h VAL 237 Cb 0.02 1.13 -0.02 0.00 -1.52 0.00 0.00 31.29 30.90 2civ h VAL 237 CO -0.02 0.07 -0.73 0.71 0.02 0.00 0.00 177.57 177.62 2civ h THR 238 N 0.00 1.50 -0.37 2.57 1.35 -1.19 -0.28 112.91 116.48 2civ h THR 238 Ca 0.02 -2.53 -0.02 0.00 -0.55 0.00 0.00 66.41 63.32 2civ h THR 238 Cb 0.08 2.38 -0.02 0.00 -1.73 0.00 0.00 68.15 68.87 2civ h THR 238 CO -0.00 0.72 0.14 -1.28 -0.25 0.00 0.00 175.52 174.84 2civ h SER 239 N 0.00 0.52 -0.54 5.36 0.87 -1.06 -0.53 113.55 118.17 2civ h SER 239 Ca -0.01 -0.18 0.01 0.00 -1.23 0.00 0.00 61.79 60.38 2civ h SER 239 Cb 1.32 -0.13 -0.03 0.00 -0.44 0.00 0.00 62.40 63.12 2civ h SER 239 CO 0.10 0.56 0.35 0.00 -0.53 0.00 0.00 176.83 177.31 2civ h ALA 240 N 0.98 0.68 -0.10 6.23 0.00 -0.93 -0.06 119.26 126.05 2civ h ALA 240 Ca 0.12 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.03 2civ h ALA 240 Cb 0.21 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 2civ h ALA 240 CO -0.01 0.11 -0.11 1.03 0.00 0.00 0.00 179.25 180.28 2civ h SER 241 N 0.72 -0.34 -0.31 0.00 0.87 -0.87 -0.47 113.55 113.16 2civ h SER 241 Ca 0.20 0.07 0.06 0.00 -1.23 0.00 0.00 61.79 60.89 2civ h SER 241 Cb -0.07 0.17 -0.06 0.00 -0.44 0.00 0.00 62.40 62.00 2civ h SER 241 CO -0.05 -0.15 -0.06 0.28 -0.53 0.00 0.00 176.83 176.32 2civ h SER 242 N -0.14 -0.26 -0.81 6.23 0.02 -0.81 -2.76 113.55 115.02 2civ h SER 242 Ca 0.08 0.09 -0.01 0.00 -0.84 0.00 0.00 61.79 61.10 2civ h SER 242 Cb 0.25 0.18 -0.04 0.00 0.14 0.00 0.00 62.40 62.93 2civ h SER 242 CO -0.19 -0.09 0.46 0.00 -1.14 0.00 0.00 176.83 175.87 2civ h ALA 243 N 1.30 1.04 0.10 3.77 0.00 -0.46 0.21 119.26 125.21 2civ h ALA 243 Ca 0.15 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.96 2civ h ALA 243 Cb 0.22 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 2civ h ALA 243 CO -0.30 0.53 -0.17 0.28 0.00 0.00 0.00 179.25 179.59 2civ h VAL 244 N 1.12 0.62 0.00 0.00 2.07 -0.94 -2.11 116.25 117.00 2civ h VAL 244 Ca 0.29 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.79 2civ h VAL 244 Cb 0.01 0.62 -0.00 0.00 -1.52 0.00 0.00 31.29 30.39 2civ h VAL 244 CO -0.05 0.00 -0.10 -0.07 0.02 0.00 0.00 177.57 177.38 2civ h LEU 245 N -0.32 0.00 0.00 2.57 3.38 -1.11 -2.50 115.31 117.32 2civ h LEU 245 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2civ h LEU 245 Cb 0.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.09 2civ h LEU 245 CO -0.09 0.10 -0.21 0.00 0.09 0.00 0.00 178.44 178.32 2civ h ALA 246 N 1.90 0.88 -2.82 1.53 0.00 -0.71 -3.38 119.26 116.67 2civ h ALA 246 Ca -0.00 0.00 -0.52 0.00 0.00 0.00 0.00 54.91 54.39 2civ h ALA 246 Cb 0.61 0.00 0.06 0.00 0.00 0.00 0.00 17.79 18.46 2civ h ALA 246 CO 0.01 0.00 0.57 0.00 0.00 0.00 0.00 179.25 179.83 2civ s ALA 247 N -3.19 3.31 0.11 0.00 0.00 -0.82 -4.94 121.76 116.24 2civ s ALA 247 Ca 0.07 1.11 -0.31 0.00 0.00 0.00 0.00 51.96 52.83 2civ s ALA 247 Cb 0.09 -3.43 -0.08 0.00 0.00 0.00 0.00 23.12 19.70 2civ s ALA 247 CO 0.67 -0.59 1.41 0.45 0.00 0.00 0.00 175.76 177.71 2civ s SER 248 N -0.81 6.80 -0.25 0.00 0.15 -1.26 -4.98 113.70 113.34 2civ s SER 248 Ca 0.53 2.35 -0.23 0.00 0.70 0.00 0.00 55.95 59.29 2civ s SER 248 Cb -0.35 -2.59 -0.01 0.00 -1.71 0.00 0.00 66.02 61.36 2civ s SER 248 CO 0.46 -0.68 0.77 -0.69 1.20 0.00 0.00 173.24 174.30 2civ s VAL 249 N 1.21 4.87 -0.58 4.45 1.01 -1.26 -4.92 120.40 125.18 2civ s VAL 249 Ca 0.65 1.42 0.12 0.00 0.00 0.00 0.00 61.98 64.18 2civ s VAL 249 Cb -0.37 -4.07 -0.14 0.00 0.00 0.00 0.00 36.38 31.80 2civ s VAL 249 CO 0.30 -0.06 0.53 0.35 0.00 0.00 0.00 175.10 176.22 2civ n THR 250 N 5.27 0.00 -3.66 3.92 -2.24 -1.26 -4.86 114.28 111.45 2civ n THR 250 Ca 0.04 -0.21 -0.23 0.00 -2.27 0.00 0.00 64.05 61.39 2civ n THR 250 Cb 0.48 0.98 -0.18 0.00 -2.10 0.00 0.00 70.33 69.52 2civ n THR 250 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2civ s SER 251 N -2.21 1.66 -0.31 3.42 0.15 -1.26 -5.13 113.70 110.02 2civ s SER 251 Ca 0.05 -0.21 -0.09 0.00 0.70 0.00 0.00 55.95 56.40 2civ s SER 251 Cb 0.09 -0.22 -0.00 0.00 -1.71 0.00 0.00 66.02 64.18 2civ s SER 251 CO 0.52 -0.28 0.14 -0.89 1.20 0.00 0.00 173.24 173.92 2civ s THR 252 N 2.13 4.45 0.68 6.45 2.01 -1.26 -4.99 115.64 125.12 2civ s THR 252 Ca 0.04 -0.50 -0.14 0.00 0.31 0.00 0.00 61.69 61.39 2civ s THR 252 Cb -0.14 -3.29 0.01 0.00 0.01 0.00 0.00 72.50 69.10 2civ s THR 252 CO -0.05 0.06 1.11 -2.84 -0.69 0.00 0.00 174.62 172.20 2civ s PRO 253 N 1.58 2.67 0.71 4.92 0.02 -1.26 -5.04 135.00 138.61 2civ s PRO 253 Ca 0.04 1.34 -0.11 0.00 0.02 0.00 0.00 61.00 62.29 2civ s PRO 253 Cb -0.17 -1.94 0.03 0.00 0.02 0.00 0.00 34.50 32.44 2civ s PRO 253 CO 0.05 -1.34 1.09 -1.12 -0.33 0.00 0.00 177.00 175.35 2civ s SER 254 N -2.77 5.24 -1.13 2.53 0.01 -1.26 -4.33 113.70 111.99 2civ s SER 254 Ca 0.66 0.98 0.00 0.00 1.31 0.00 0.00 55.95 58.90 2civ s SER 254 Cb -0.20 -1.73 0.00 0.00 0.21 0.00 0.00 66.02 64.30 2civ s SER 254 CO 0.45 -1.44 0.00 -1.20 0.41 0.00 0.00 173.24 171.46 2civ n SER 255 N -3.02 -4.16 -4.77 2.44 7.64 -1.26 -4.73 113.62 105.76 2civ n SER 255 Ca 0.07 0.19 -0.38 0.00 1.01 0.00 0.00 58.87 59.76 2civ n SER 255 Cb 0.58 -2.88 -0.02 0.00 -1.01 0.00 0.00 64.21 60.88 2civ n SER 255 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2civ s LEU 256 N -2.78 4.20 0.85 -3.43 1.43 -1.26 -4.62 118.68 113.06 2civ s LEU 256 Ca 0.00 2.30 -0.11 0.00 -1.03 0.00 0.00 54.13 55.29 2civ s LEU 256 Cb 0.00 -4.03 0.10 0.00 0.03 0.00 0.00 46.19 42.30 2civ s LEU 256 CO 0.00 -0.63 1.09 -2.16 0.23 0.00 0.00 176.35 174.88 2civ s PRO 257 N -2.29 1.59 0.18 1.29 0.04 -1.26 -4.94 135.00 129.62 2civ s PRO 257 Ca 0.57 0.98 -0.33 0.00 0.04 0.00 0.00 61.00 62.26 2civ s PRO 257 Cb -0.30 -1.83 -0.13 0.00 0.04 0.00 0.00 34.50 32.28 2civ s PRO 257 CO 0.37 -2.05 1.64 0.45 0.04 0.00 0.00 177.00 177.45 2civ n SER 258 N -3.78 3.48 0.00 6.66 2.88 -1.26 -2.24 113.62 119.37 2civ n SER 258 Ca 0.08 1.07 0.00 0.00 -1.33 0.00 0.00 58.87 58.69 2civ n SER 258 Cb 0.54 -1.49 0.00 0.00 -0.75 0.00 0.00 64.21 62.51 2civ n SER 258 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2civ n GLY 259 N 3.64 0.49 0.24 0.46 0.00 -1.26 -4.93 105.19 103.83 2civ n GLY 259 Ca 0.16 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.20 2civ n GLY 259 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2civ h ALA 260 N 0.00 0.65 -2.34 4.61 0.00 -1.82 -3.37 119.26 117.00 2civ h ALA 260 Ca 0.00 0.18 -0.58 0.00 0.00 0.00 0.00 54.91 54.50 2civ h ALA 260 Cb 0.13 0.29 -0.07 0.00 0.00 0.00 0.00 17.79 18.14 2civ h ALA 260 CO 0.00 -0.38 0.43 0.42 0.00 0.00 0.00 179.25 179.73 2civ s ILE 261 N -6.13 4.86 0.00 0.00 1.01 -1.26 -4.89 121.20 114.79 2civ s ILE 261 Ca -0.13 1.63 0.00 0.00 0.00 0.00 0.00 60.65 62.14 2civ s ILE 261 Cb 0.19 -4.14 0.00 0.00 0.01 0.00 0.00 42.46 38.52 2civ s ILE 261 CO 0.74 -0.01 0.00 0.61 0.00 0.00 0.00 174.94 176.27 2civ n GLY 262 N 3.55 2.03 3.66 6.18 0.00 -1.26 -5.12 105.19 114.24 2civ n GLY 262 Ca 0.05 -1.94 -0.31 0.00 0.00 0.00 0.00 46.02 43.82 2civ n GLY 262 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2civ s PRO 263 N -1.51 0.92 0.20 1.61 0.04 -1.26 -4.80 135.00 130.21 2civ s PRO 263 Ca 0.00 1.51 0.11 0.00 0.04 0.00 0.00 61.00 62.65 2civ s PRO 263 Cb 0.00 -1.72 -0.04 0.00 0.04 0.00 0.00 34.50 32.78 2civ s PRO 263 CO 0.00 -2.69 -0.19 0.20 0.04 0.00 0.00 177.00 174.37 2civ s GLY 264 N -2.67 1.73 0.67 0.56 0.00 -1.26 -5.07 107.32 101.28 2civ s GLY 264 Ca 0.67 -1.62 -0.16 0.00 0.00 0.00 0.00 44.72 43.61 2civ s GLY 264 CO 0.58 -1.65 1.19 0.00 0.00 0.00 0.00 173.10 173.22 2civ s ALA 265 N -1.78 2.34 0.29 3.20 0.00 -1.26 -4.98 121.76 119.57 2civ s ALA 265 Ca 0.23 0.88 -0.30 0.00 0.00 0.00 0.00 51.96 52.77 2civ s ALA 265 Cb -0.08 -3.44 -0.11 0.00 0.00 0.00 0.00 23.12 19.49 2civ s ALA 265 CO 0.12 -1.50 1.57 -2.00 0.00 0.00 0.00 175.76 173.94 2civ s GLU 266 N -3.72 4.14 0.30 0.00 2.12 -1.26 -4.42 118.70 115.86 2civ s GLU 266 Ca 0.74 2.54 -0.29 0.00 0.36 0.00 0.00 54.97 58.32 2civ s GLU 266 Cb -0.28 -3.03 -0.10 0.00 0.26 0.00 0.00 34.13 30.98 2civ s GLU 266 CO 0.40 -0.60 1.33 0.00 -0.54 0.00 0.00 175.26 175.85 2civ s ALA 267 N -0.10 3.53 0.20 6.30 0.00 -1.26 -4.99 121.76 125.44 2civ s ALA 267 Ca 0.62 1.25 0.01 0.00 0.00 0.00 0.00 51.96 53.84 2civ s ALA 267 Cb -0.47 -3.49 -0.05 0.00 0.00 0.00 0.00 23.12 19.11 2civ s ALA 267 CO 0.49 -0.64 0.05 0.14 0.00 0.00 0.00 175.76 175.79 2civ s VAL 268 N -0.75 0.55 0.29 0.00 -7.23 -1.26 -5.10 120.40 106.89 2civ s VAL 268 Ca 0.52 -1.98 -0.30 0.00 -1.81 0.00 0.00 61.98 58.41 2civ s VAL 268 Cb -0.40 -2.30 -0.13 0.00 0.56 0.00 0.00 36.38 34.11 2civ s VAL 268 CO 0.49 -0.29 1.40 -2.65 -0.31 0.00 0.00 175.10 173.74 2civ n PRO 269 N -0.30 2.22 -1.94 4.82 -0.02 -1.26 -4.99 135.00 133.53 2civ n PRO 269 Ca -0.04 0.79 -0.32 0.00 -2.02 0.00 0.00 63.50 61.91 2civ n PRO 269 Cb 0.64 -2.44 0.02 0.00 -0.02 0.00 0.00 33.50 31.70 2civ n PRO 269 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2civ s LEU 270 N -0.53 3.38 -0.12 2.45 1.43 -1.26 -5.09 118.68 118.95 2civ s LEU 270 Ca 0.62 1.69 -0.14 0.00 -1.03 0.00 0.00 54.13 55.27 2civ s LEU 270 Cb -0.58 -4.51 0.03 0.00 0.03 0.00 0.00 46.19 41.16 2civ s LEU 270 CO 0.55 -1.14 0.37 -0.55 0.23 0.00 0.00 176.35 175.81 2civ s SER 271 N -3.25 -0.36 -0.05 2.29 0.15 -1.26 -4.99 113.70 106.24 2civ s SER 271 Ca 0.60 0.63 0.02 0.00 0.70 0.00 0.00 55.95 57.91 2civ s SER 271 Cb -0.14 0.68 0.01 0.00 -1.71 0.00 0.00 66.02 64.86 2civ s SER 271 CO 0.43 -0.20 -0.11 -0.36 1.20 0.00 0.00 173.24 174.20 2civ s PHE 272 N -0.11 1.23 0.35 3.44 0.08 -1.26 -5.13 117.98 116.59 2civ s PHE 272 Ca -0.03 -0.38 -0.29 0.00 0.12 0.00 0.00 56.93 56.35 2civ s PHE 272 Cb -0.03 -0.90 -0.11 0.00 -0.57 0.00 0.00 43.02 41.41 2civ s PHE 272 CO 0.01 -0.19 1.52 0.00 -0.10 0.00 0.00 175.22 176.47 2civ s ALA 273 N 0.45 3.63 0.54 5.36 0.00 -1.26 -4.89 121.76 125.59 2civ s ALA 273 Ca -0.09 1.58 0.38 0.00 0.00 0.00 0.00 51.96 53.83 2civ s ALA 273 Cb -0.13 -3.62 2.02 0.00 0.00 0.00 0.00 23.12 21.39 2civ s ALA 273 CO 0.02 -1.04 2.25 0.77 0.00 0.00 0.00 175.76 177.76 2civ h SER 274 N 3.56 0.00 0.97 0.00 0.02 -2.03 -1.46 113.55 114.61 2civ h SER 274 Ca -0.50 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.38 2civ h SER 274 Cb 1.23 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.76 2civ h SER 274 CO 0.69 0.02 -0.33 0.71 -1.14 0.00 0.00 176.83 176.78 2civ h THR 275 N 0.00 0.75 -3.06 -2.27 1.35 -2.05 -3.44 112.91 104.19 2civ h THR 275 Ca -0.00 -1.45 -0.57 0.00 -0.55 0.00 0.00 66.41 63.84 2civ h THR 275 Cb 0.12 1.93 -0.05 0.00 -1.73 0.00 0.00 68.15 68.42 2civ h THR 275 CO 0.00 0.32 0.80 -0.32 -0.25 0.00 0.00 175.52 176.08 2civ s MET 276 N -3.54 4.27 0.18 4.72 0.00 -0.55 -5.03 119.30 119.35 2civ s MET 276 Ca 0.01 1.45 -0.24 0.00 0.00 0.00 0.00 55.69 56.91 2civ s MET 276 Cb 0.10 -3.66 -0.08 0.00 0.00 0.00 0.00 34.83 31.19 2civ s MET 276 CO 0.67 -0.61 0.76 0.95 0.00 0.00 0.00 175.02 176.79 2civ s THR 277 N 3.13 4.41 0.53 10.11 -4.23 -1.26 -4.92 115.64 123.41 2civ s THR 277 Ca 0.47 1.62 -0.20 0.00 -1.18 0.00 0.00 61.69 62.40 2civ s THR 277 Cb -0.17 -4.08 -0.06 0.00 1.34 0.00 0.00 72.50 69.53 2civ s THR 277 CO 0.10 0.46 1.14 -2.16 -0.54 0.00 0.00 174.62 173.62 2civ s PRO 278 N -1.30 3.41 0.51 3.99 0.04 -1.26 -5.00 135.00 135.38 2civ s PRO 278 Ca 0.37 1.65 -0.22 0.00 0.04 0.00 0.00 61.00 62.83 2civ s PRO 278 Cb -0.22 -2.07 -0.06 0.00 0.04 0.00 0.00 34.50 32.19 2civ s PRO 278 CO 0.25 -0.81 1.31 -0.06 0.04 0.00 0.00 177.00 177.73 2civ s PHE 279 N -1.72 2.47 0.31 0.56 0.08 -1.26 -4.96 117.98 113.46 2civ s PHE 279 Ca 0.71 1.41 -0.29 0.00 0.12 0.00 0.00 56.93 58.88 2civ s PHE 279 Cb -0.25 -3.69 -0.11 0.00 -0.57 0.00 0.00 43.02 38.40 2civ s PHE 279 CO 0.28 -2.50 1.55 -0.51 -0.10 0.00 0.00 175.22 173.94 2civ s LEU 280 N -3.29 4.34 0.23 -0.37 1.43 -1.26 -4.86 118.68 114.91 2civ s LEU 280 Ca 0.68 2.94 -0.30 0.00 -1.03 0.00 0.00 54.13 56.42 2civ s LEU 280 Cb -0.37 -3.64 -0.09 0.00 0.03 0.00 0.00 46.19 42.12 2civ s LEU 280 CO 0.45 -0.88 0.99 -0.76 0.23 0.00 0.00 176.35 176.39 2civ s LEU 281 N -0.91 4.59 0.33 1.79 1.43 -1.26 -4.93 118.68 119.72 2civ s LEU 281 Ca 0.60 2.02 -0.29 0.00 -1.03 0.00 0.00 54.13 55.43 2civ s LEU 281 Cb -0.47 -3.61 -0.12 0.00 0.03 0.00 0.00 46.19 42.02 2civ s LEU 281 CO 0.51 0.03 1.33 0.00 0.23 0.00 0.00 176.35 178.45 2civ n ALA 282 N 1.66 1.39 0.14 4.21 0.00 -1.26 -4.92 120.51 121.73 2civ n ALA 282 Ca -0.01 0.37 0.10 0.00 0.00 0.00 0.00 53.44 53.90 2civ n ALA 282 Cb 0.47 -2.28 0.21 0.00 0.00 0.00 0.00 19.45 17.85 2civ n ALA 282 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2civ n THR 283 N 0.65 0.61 -1.69 0.00 -2.24 -1.26 -5.03 114.28 105.33 2civ n THR 283 Ca 0.06 -0.80 -0.40 0.00 -2.27 0.00 0.00 64.05 60.63 2civ n THR 283 Cb 0.36 0.87 0.02 0.00 -2.10 0.00 0.00 70.33 69.48 2civ n THR 283 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2civ n ASN 284 N 1.32 2.15 -4.66 3.42 3.02 -1.26 -4.94 115.26 114.31 2civ n ASN 284 Ca 0.18 1.03 -0.37 0.00 -0.03 0.00 0.00 54.58 55.39 2civ n ASN 284 Cb 0.56 -1.48 0.07 0.00 -0.61 0.00 0.00 39.78 38.32 2civ n ASN 284 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2civ n ALA 285 N -0.63 0.49 -1.78 5.41 0.00 -1.26 -4.92 120.51 117.83 2civ n ALA 285 Ca 0.09 -0.04 -0.41 0.00 0.00 0.00 0.00 53.44 53.07 2civ n ALA 285 Cb 0.42 -2.20 -0.02 0.00 0.00 0.00 0.00 19.45 17.65 2civ n ALA 285 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2civ s PRO 286 N -3.14 4.14 0.38 0.00 0.04 -1.26 -4.98 135.00 130.18 2civ s PRO 286 Ca 0.79 2.54 -0.27 0.00 0.04 0.00 0.00 61.00 64.10 2civ s PRO 286 Cb -0.39 -3.03 -0.10 0.00 0.04 0.00 0.00 34.50 31.03 2civ s PRO 286 CO 0.44 -0.60 1.34 -0.47 0.04 0.00 0.00 177.00 177.75 2civ s TYR 287 N -0.03 2.85 0.02 0.56 6.14 -1.26 -4.94 117.35 120.69 2civ s TYR 287 Ca 0.63 1.37 -0.05 0.00 0.64 0.00 0.00 57.07 59.66 2civ s TYR 287 Cb -0.47 -3.74 -0.01 0.00 0.42 0.00 0.00 41.96 38.17 2civ s TYR 287 CO 0.48 -2.17 0.08 1.52 0.64 0.00 0.00 175.55 176.10 2civ s TYR 288 N -1.19 0.14 0.17 4.97 1.13 -1.26 -4.81 117.35 116.50 2civ s TYR 288 Ca 0.54 -0.34 -0.31 0.00 -1.41 0.00 0.00 57.07 55.54 2civ s TYR 288 Cb -0.40 -0.11 -0.10 0.00 -1.10 0.00 0.00 41.96 40.24 2civ s TYR 288 CO 0.53 -0.28 1.57 0.00 -2.51 0.00 0.00 175.55 174.86 2civ s ALA 289 N -1.73 3.78 0.00 9.51 0.00 -1.26 -4.90 121.76 127.16 2civ s ALA 289 Ca -0.13 1.39 0.00 0.00 0.00 0.00 0.00 51.96 53.22 2civ s ALA 289 Cb -0.07 -3.62 0.00 0.00 0.00 0.00 0.00 23.12 19.43 2civ s ALA 289 CO -0.01 -0.79 0.28 1.04 0.00 0.00 0.00 175.76 176.29 2civ n GLN 290 N 3.86 -0.51 -3.24 0.00 6.02 -1.26 -3.94 117.38 118.30 2civ n GLN 290 Ca 0.14 -0.29 -0.24 0.00 -0.01 0.00 0.00 57.00 56.59 2civ n GLN 290 Cb 0.38 -0.78 -0.07 0.00 1.02 0.00 0.00 30.24 30.80 2civ n GLN 290 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 2civ n ASP 291 N -0.00 1.79 -4.95 1.08 2.03 -1.26 -3.21 116.55 112.03 2civ n ASP 291 Ca 0.00 -3.06 -0.24 0.00 0.52 0.00 0.00 54.79 52.01 2civ n ASP 291 Cb 0.12 -0.64 0.04 0.00 -0.72 0.00 0.00 41.12 39.91 2civ n ASP 291 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 2civ s PRO 292 N -1.97 2.68 0.68 -0.67 0.04 -1.26 -5.16 135.00 129.34 2civ s PRO 292 Ca 0.39 -0.41 -0.15 0.00 0.04 0.00 0.00 61.00 60.87 2civ s PRO 292 Cb 0.20 -2.38 0.01 0.00 0.04 0.00 0.00 34.50 32.37 2civ s PRO 292 CO -0.08 -0.73 1.14 0.95 0.04 0.00 0.00 177.00 178.33 2civ s THR 293 N -2.88 2.94 -0.03 1.26 -4.23 -1.20 -4.82 115.64 106.69 2civ s THR 293 Ca 0.55 0.44 -0.05 0.00 -1.18 0.00 0.00 61.69 61.45 2civ s THR 293 Cb -0.10 -2.97 -0.04 0.00 1.34 0.00 0.00 72.50 70.73 2civ s THR 293 CO 0.41 -0.27 0.21 -0.76 -0.54 0.00 0.00 174.62 173.67 2civ s LEU 294 N -4.98 4.38 0.79 4.79 1.43 -1.26 -4.97 118.68 118.85 2civ s LEU 294 Ca 0.69 0.45 -0.09 0.00 -1.03 0.00 0.00 54.13 54.15 2civ s LEU 294 Cb -0.23 -2.53 0.11 0.00 0.03 0.00 0.00 46.19 43.57 2civ s LEU 294 CO 0.43 0.29 1.11 -0.83 0.23 0.00 0.00 176.35 177.58 2civ s GLY 295 N -1.66 1.71 0.58 -3.19 0.00 -1.26 -4.92 107.32 98.57 2civ s GLY 295 Ca 0.25 -1.07 0.27 0.00 0.00 0.00 0.00 44.72 44.17 2civ s GLY 295 CO 0.15 -0.54 2.23 -0.56 0.00 0.00 0.00 173.10 174.38 2civ h PRO 296 N -0.91 0.00 -0.51 2.90 0.13 -1.97 -2.19 132.00 129.44 2civ h PRO 296 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 2civ h PRO 296 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 2civ h PRO 296 CO 0.53 0.01 0.00 0.09 -0.23 0.00 0.00 178.00 178.39 2civ n ASN 297 N -3.94 3.24 -0.86 1.44 5.03 -1.26 -1.06 115.26 117.85 2civ n ASN 297 Ca -0.03 -1.97 0.11 0.00 0.87 0.00 0.00 54.58 53.56 2civ n ASN 297 Cb 0.09 -0.34 0.09 0.00 -1.02 0.00 0.00 39.78 38.60 2civ n ASN 297 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90