#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f54 s GLN 2 N 0.00 0.54 -0.22 3.69 -0.21 -1.26 -4.97 119.66 117.22 2f54 s GLN 2 Ca 0.00 0.06 -0.08 0.00 0.02 0.00 0.00 55.36 55.37 2f54 s GLN 2 Cb 0.00 -0.78 -0.04 0.00 1.00 0.00 0.00 33.01 33.19 2f54 s GLN 2 CO 0.00 -0.21 0.08 0.08 -2.12 0.00 0.00 175.29 173.12 2f54 s VAL 3 N 1.48 4.57 -0.02 1.09 1.01 -1.26 -2.46 120.40 124.81 2f54 s VAL 3 Ca -0.03 -0.09 0.08 0.00 0.00 0.00 0.00 61.98 61.93 2f54 s VAL 3 Cb -0.13 -3.11 -0.02 0.00 0.00 0.00 0.00 36.38 33.12 2f54 s VAL 3 CO -0.03 0.38 -0.26 -0.89 0.00 0.00 0.00 175.10 174.30 2f54 s THR 4 N 1.14 2.09 -0.31 3.92 2.01 0.28 -4.47 115.64 120.30 2f54 s THR 4 Ca 0.05 -1.09 -0.02 0.00 0.31 0.00 0.00 61.69 60.93 2f54 s THR 4 Cb -0.14 -1.72 0.10 0.00 0.01 0.00 0.00 72.50 70.75 2f54 s THR 4 CO 0.03 0.58 0.13 -1.10 -0.69 0.00 0.00 174.62 173.57 2f54 s GLN 5 N -0.59 0.45 0.05 4.92 -0.21 -1.26 0.12 119.66 123.14 2f54 s GLN 5 Ca 0.09 -0.84 0.04 0.00 0.02 0.00 0.00 55.36 54.67 2f54 s GLN 5 Cb -0.10 -1.52 -0.03 0.00 1.00 0.00 0.00 33.01 32.36 2f54 s GLN 5 CO -0.01 -1.03 -0.11 0.96 -2.12 0.00 0.00 175.29 172.98 2f54 s ILE 6 N 1.78 0.85 0.42 1.08 -5.25 -1.26 -3.77 121.20 115.05 2f54 s ILE 6 Ca 0.10 -1.13 -0.25 0.00 -0.99 0.00 0.00 60.65 58.38 2f54 s ILE 6 Cb -0.17 -0.85 -0.10 0.00 2.95 0.00 0.00 42.46 44.29 2f54 s ILE 6 CO -0.29 -0.25 1.21 -2.65 -1.79 0.00 0.00 174.94 171.18 2f54 n PRO 7 N 1.50 1.79 0.23 0.37 -0.02 -1.26 -4.39 135.00 133.22 2f54 n PRO 7 Ca -0.21 0.64 0.12 0.00 -2.02 0.00 0.00 63.50 62.02 2f54 n PRO 7 Cb 0.55 -2.30 0.44 0.00 -0.02 0.00 0.00 33.50 32.16 2f54 n PRO 7 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2f54 h ALA 8 N 1.96 0.98 -3.41 3.55 0.00 -1.89 -3.44 119.26 117.01 2f54 h ALA 8 Ca -0.47 -0.14 -0.38 0.00 0.00 0.00 0.00 54.91 53.92 2f54 h ALA 8 Cb 1.30 -0.02 -0.22 0.00 0.00 0.00 0.00 17.79 18.85 2f54 h ALA 8 CO 0.59 0.19 -0.77 0.00 0.00 0.00 0.00 179.25 179.26 2f54 s ALA 9 N -3.53 1.02 -0.12 0.00 0.00 -1.26 0.66 121.76 118.52 2f54 s ALA 9 Ca 0.02 -0.91 -0.05 0.00 0.00 0.00 0.00 51.96 51.02 2f54 s ALA 9 Cb 0.09 -0.08 0.06 0.00 0.00 0.00 0.00 23.12 23.19 2f54 s ALA 9 CO 0.63 0.13 0.26 -1.17 0.00 0.00 0.00 175.76 175.60 2f54 s LEU 10 N -1.59 -0.22 -0.14 0.00 2.96 0.59 -4.81 118.68 115.46 2f54 s LEU 10 Ca -0.03 0.57 0.02 0.00 -0.22 0.00 0.00 54.13 54.47 2f54 s LEU 10 Cb -0.10 0.68 0.01 0.00 0.50 0.00 0.00 46.19 47.29 2f54 s LEU 10 CO 0.02 -0.23 -0.19 -0.55 -1.32 0.00 0.00 176.35 174.07 2f54 s SER 11 N 2.31 2.90 0.15 3.68 0.15 -1.26 -0.77 113.70 120.86 2f54 s SER 11 Ca 0.00 -0.56 -0.10 0.00 0.70 0.00 0.00 55.95 56.00 2f54 s SER 11 Cb -0.12 -1.33 -0.00 0.00 -1.71 0.00 0.00 66.02 62.85 2f54 s SER 11 CO -0.08 0.04 0.29 0.68 1.20 0.00 0.00 173.24 175.36 2f54 s VAL 12 N 0.99 0.08 0.19 4.45 -7.23 -0.96 -5.01 120.40 112.91 2f54 s VAL 12 Ca -0.04 -1.26 -0.13 0.00 -1.81 0.00 0.00 61.98 58.74 2f54 s VAL 12 Cb -0.15 -1.68 -0.07 0.00 0.56 0.00 0.00 36.38 35.04 2f54 s VAL 12 CO -0.04 -0.36 0.57 -2.16 -0.31 0.00 0.00 175.10 172.80 2f54 s PRO 13 N -3.93 3.94 0.52 4.82 0.04 -1.26 -0.40 135.00 138.73 2f54 s PRO 13 Ca 0.13 0.46 -0.22 0.00 0.04 0.00 0.00 61.00 61.42 2f54 s PRO 13 Cb 0.03 -2.80 -0.07 0.00 0.04 0.00 0.00 34.50 31.70 2f54 s PRO 13 CO -0.03 0.40 1.11 -0.85 0.04 0.00 0.00 177.00 177.67 2f54 n GLU 14 N 0.41 1.34 0.00 4.56 0.28 0.17 -2.86 120.64 124.54 2f54 n GLU 14 Ca -0.03 0.49 0.00 0.00 -0.16 0.00 0.00 57.16 57.47 2f54 n GLU 14 Cb 0.52 -2.26 0.00 0.00 1.43 0.00 0.00 31.44 31.13 2f54 n GLU 14 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2f54 n GLY 15 N 1.07 2.96 3.73 -1.84 0.00 0.37 -4.86 105.19 106.62 2f54 n GLY 15 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 2f54 n GLY 15 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2f54 s GLU 16 N -0.46 4.55 0.28 1.61 2.02 -1.14 -4.17 118.70 121.39 2f54 s GLU 16 Ca 0.00 1.20 -0.29 0.00 0.02 0.00 0.00 54.97 55.89 2f54 s GLU 16 Cb 0.00 -3.40 -0.10 0.00 0.10 0.00 0.00 34.13 30.73 2f54 s GLU 16 CO 0.00 0.16 1.16 -0.80 0.02 0.00 0.00 175.26 175.79 2f54 s ASN 17 N 0.33 7.14 0.31 -0.19 0.01 -1.26 -2.75 114.94 118.53 2f54 s ASN 17 Ca 0.43 2.36 0.03 0.00 -0.71 0.00 0.00 52.86 54.96 2f54 s ASN 17 Cb -0.21 -2.63 -0.04 0.00 0.41 0.00 0.00 41.25 38.78 2f54 s ASN 17 CO 0.25 -0.25 0.12 -1.48 -1.51 0.00 0.00 177.10 174.23 2f54 s LEU 18 N -1.38 1.78 -0.00 0.60 0.05 -0.65 -4.98 118.68 114.11 2f54 s LEU 18 Ca 0.46 -1.50 0.03 0.00 0.05 0.00 0.00 54.13 53.18 2f54 s LEU 18 Cb -0.34 0.02 -0.01 0.00 -2.05 0.00 0.00 46.19 43.81 2f54 s LEU 18 CO 0.43 -0.81 -0.11 -0.69 -0.55 0.00 0.00 176.35 174.62 2f54 s VAL 19 N -3.55 0.88 -0.13 1.48 1.01 -1.26 -2.24 120.40 116.59 2f54 s VAL 19 Ca 0.35 -0.53 0.01 0.00 0.00 0.00 0.00 61.98 61.80 2f54 s VAL 19 Cb 0.06 -0.75 0.02 0.00 0.00 0.00 0.00 36.38 35.71 2f54 s VAL 19 CO 0.16 0.20 -0.14 -0.76 0.00 0.00 0.00 175.10 174.56 2f54 s LEU 20 N -0.38 1.68 0.43 3.92 1.43 -0.05 -4.96 118.68 120.76 2f54 s LEU 20 Ca 0.04 -0.45 -0.06 0.00 -1.03 0.00 0.00 54.13 52.63 2f54 s LEU 20 Cb -0.05 -1.13 -0.04 0.00 0.03 0.00 0.00 46.19 45.00 2f54 s LEU 20 CO -0.00 -0.02 0.73 0.20 0.23 0.00 0.00 176.35 177.49 2f54 s ASN 21 N 1.26 6.34 -0.29 2.29 0.02 -1.26 -0.76 114.94 122.54 2f54 s ASN 21 Ca -0.00 0.90 -0.14 0.00 -1.02 0.00 0.00 52.86 52.60 2f54 s ASN 21 Cb -0.14 -2.23 0.10 0.00 0.02 0.00 0.00 41.25 39.00 2f54 s ASN 21 CO -0.06 -0.47 0.68 0.00 0.02 0.00 0.00 177.10 177.26 2f54 s SER 23 N 2.09 0.80 0.01 0.00 1.04 0.32 -1.33 113.70 116.63 2f54 s SER 23 Ca -0.09 -0.13 0.04 0.00 0.48 0.00 0.00 55.95 56.26 2f54 s SER 23 Cb -0.08 -0.09 -0.01 0.00 0.10 0.00 0.00 66.02 65.94 2f54 s SER 23 CO -0.20 0.08 -0.13 0.72 0.98 0.00 0.00 173.24 174.69 2f54 s PHE 24 N -0.17 1.17 0.09 5.02 -0.12 -0.75 0.99 117.98 124.20 2f54 s PHE 24 Ca 0.03 -0.28 -0.04 0.00 -0.05 0.00 0.00 56.93 56.59 2f54 s PHE 24 Cb -0.03 -0.73 -0.25 0.00 -0.63 0.00 0.00 43.02 41.38 2f54 s PHE 24 CO -0.00 0.00 1.17 1.15 -0.05 0.00 0.00 175.22 177.49 2f54 h THR 25 N 4.69 1.50 -3.59 -4.49 2.02 -1.80 -3.41 112.91 107.84 2f54 h THR 25 Ca -0.35 -3.01 -0.70 0.00 0.77 0.00 0.00 66.41 63.11 2f54 h THR 25 Cb 1.17 2.88 -0.23 0.00 -1.74 0.00 0.00 68.15 70.23 2f54 h THR 25 CO 0.47 0.88 -0.50 -0.62 0.37 0.00 0.00 175.52 176.12 2f54 s ASP 26 N -7.12 5.80 0.53 4.18 -1.08 -1.26 -4.94 116.67 112.78 2f54 s ASP 26 Ca -0.04 -0.86 0.32 0.00 -0.52 0.00 0.00 52.55 51.45 2f54 s ASP 26 Cb 0.07 -2.05 1.29 0.00 -1.46 0.00 0.00 42.92 40.77 2f54 s ASP 26 CO 0.88 -0.36 1.96 0.28 0.52 0.00 0.00 175.17 178.45 2f54 h SER 27 N 8.46 0.00 -0.46 -0.34 0.02 -1.83 -3.40 113.55 116.01 2f54 h SER 27 Ca -0.27 0.00 -0.42 0.00 -0.84 0.00 0.00 61.79 60.25 2f54 h SER 27 Cb 1.12 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.62 2f54 h SER 27 CO 0.67 0.05 1.41 0.00 -1.14 0.00 0.00 176.83 177.82 2f54 n ALA 28 N -2.13 2.29 -2.74 3.77 0.00 -1.26 -4.89 120.51 115.56 2f54 n ALA 28 Ca 0.00 -3.18 -0.16 0.00 0.00 0.00 0.00 53.44 50.10 2f54 n ALA 28 Cb 0.33 -3.52 -0.12 0.00 0.00 0.00 0.00 19.45 16.14 2f54 n ALA 28 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 2f54 s ILE 29 N 9.27 0.87 -0.03 0.00 -5.25 -1.26 -1.42 121.20 123.37 2f54 s ILE 29 Ca 0.65 -1.26 0.12 0.00 -0.99 0.00 0.00 60.65 59.17 2f54 s ILE 29 Cb 0.02 -0.93 -0.15 0.00 2.95 0.00 0.00 42.46 44.35 2f54 s ILE 29 CO 0.12 -0.33 1.03 0.22 -1.79 0.00 0.00 174.94 174.19 2f54 h TYR 30 N 4.27 0.00 -2.06 1.37 5.03 -0.98 -3.41 116.97 121.19 2f54 h TYR 30 Ca -0.38 0.00 0.23 0.00 2.58 0.00 0.00 58.73 61.15 2f54 h TYR 30 Cb 1.20 0.00 -0.09 0.00 1.55 0.00 0.00 36.73 39.38 2f54 h TYR 30 CO 0.64 0.81 0.60 0.54 -1.32 0.00 0.00 178.16 179.44 2f54 s ASN 31 N -6.27 -0.13 -0.01 -2.11 6.03 -1.24 -1.47 114.94 109.74 2f54 s ASN 31 Ca -0.01 -0.33 0.02 0.00 -1.03 0.00 0.00 52.86 51.50 2f54 s ASN 31 Cb 0.09 0.38 0.00 0.00 -3.03 0.00 0.00 41.25 38.69 2f54 s ASN 31 CO 0.81 -0.71 -0.05 -0.22 -2.03 0.00 0.00 177.10 174.90 2f54 s LEU 32 N -2.99 1.81 -0.03 3.54 0.20 -0.54 -2.96 118.68 117.70 2f54 s LEU 32 Ca 0.14 -0.11 0.02 0.00 0.69 0.00 0.00 54.13 54.87 2f54 s LEU 32 Cb 0.01 -0.33 0.01 0.00 -0.43 0.00 0.00 46.19 45.45 2f54 s LEU 32 CO 0.00 0.03 -0.06 -1.58 -0.29 0.00 0.00 176.35 174.46 2f54 s GLN 33 N 0.16 0.86 -0.17 1.98 0.74 -0.30 -0.84 119.66 122.09 2f54 s GLN 33 Ca -0.02 -0.19 -0.09 0.00 0.05 0.00 0.00 55.36 55.12 2f54 s GLN 33 Cb -0.06 -0.83 -0.05 0.00 1.10 0.00 0.00 33.01 33.18 2f54 s GLN 33 CO -0.00 0.01 0.13 -1.58 -0.55 0.00 0.00 175.29 173.29 2f54 s TRP 34 N 0.56 3.46 0.46 1.67 0.52 -0.50 -1.63 118.94 123.48 2f54 s TRP 34 Ca -0.08 0.38 0.04 0.00 0.02 0.00 0.00 56.10 56.46 2f54 s TRP 34 Cb -0.11 -2.08 -0.04 0.00 -1.15 0.00 0.00 33.47 30.08 2f54 s TRP 34 CO 0.00 0.43 0.03 -0.06 0.02 0.00 0.00 176.95 177.38 2f54 s PHE 35 N -0.10 2.18 -0.03 -1.98 0.40 0.21 0.68 117.98 119.33 2f54 s PHE 35 Ca 0.10 -0.81 -0.01 0.00 -0.60 0.00 0.00 56.93 55.61 2f54 s PHE 35 Cb -0.11 -1.72 0.02 0.00 0.51 0.00 0.00 43.02 41.72 2f54 s PHE 35 CO 0.00 0.29 0.07 0.50 0.70 0.00 0.00 175.22 176.78 2f54 s ARG 36 N -3.82 0.03 -0.04 0.44 3.52 0.10 -2.71 118.95 116.47 2f54 s ARG 36 Ca 0.22 0.19 -0.01 0.00 -0.13 0.00 0.00 55.73 55.99 2f54 s ARG 36 Cb 0.05 -0.13 0.03 0.00 -1.56 0.00 0.00 34.95 33.35 2f54 s ARG 36 CO 0.11 -0.11 0.07 -1.14 -0.81 0.00 0.00 175.30 173.43 2f54 s GLN 37 N 0.70 -0.00 -0.11 5.12 0.74 0.57 0.11 119.66 126.80 2f54 s GLN 37 Ca -0.06 0.29 -0.02 0.00 0.05 0.00 0.00 55.36 55.63 2f54 s GLN 37 Cb -0.08 -0.27 -0.03 0.00 1.10 0.00 0.00 33.01 33.74 2f54 s GLN 37 CO -0.03 -0.20 -0.04 -0.51 -0.55 0.00 0.00 175.29 173.97 2f54 s ASP 38 N 1.33 4.86 0.02 6.67 1.11 -1.25 -1.28 116.67 128.12 2f54 s ASP 38 Ca -0.06 -0.02 -0.36 0.00 0.18 0.00 0.00 52.55 52.29 2f54 s ASP 38 Cb -0.12 -1.49 -0.18 0.00 1.07 0.00 0.00 42.92 42.19 2f54 s ASP 38 CO -0.04 0.29 0.93 -2.65 1.18 0.00 0.00 175.17 174.88 2f54 n PRO 39 N 2.73 0.00 0.00 8.23 -0.02 -1.26 0.95 135.00 145.63 2f54 n PRO 39 Ca -0.18 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.30 2f54 n PRO 39 Cb 0.53 -1.33 0.00 0.00 -0.02 0.00 0.00 33.50 32.68 2f54 n PRO 39 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2f54 n GLY 40 N 1.41 2.61 1.63 -1.23 0.00 -1.26 -4.97 105.19 103.38 2f54 n GLY 40 Ca 0.18 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.09 2f54 n GLY 40 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2f54 n GLY 41 N -0.37 -0.53 0.00 -0.02 0.00 0.27 -5.12 105.19 99.42 2f54 n GLY 41 Ca 0.00 -1.80 0.00 0.00 0.00 0.00 0.00 46.02 44.22 2f54 n GLY 41 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2f54 n LYS 42 N -2.03 1.46 -4.17 1.61 2.85 -1.26 -4.66 118.16 111.96 2f54 n LYS 42 Ca 0.07 0.00 -0.35 0.00 -1.05 0.00 0.00 58.31 56.98 2f54 n LYS 42 Cb 0.24 0.00 -0.09 0.00 -0.65 0.00 0.00 35.03 34.53 2f54 n LYS 42 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 2f54 s LEU 43 N 0.00 3.78 -0.12 -5.58 1.02 -1.26 -3.91 118.68 112.60 2f54 s LEU 43 Ca 0.00 0.17 0.03 0.00 0.02 0.00 0.00 54.13 54.34 2f54 s LEU 43 Cb 0.00 -1.91 0.01 0.00 0.02 0.00 0.00 46.19 44.31 2f54 s LEU 43 CO 0.00 0.31 -0.21 -0.89 0.02 0.00 0.00 176.35 175.58 2f54 s THR 44 N -0.44 1.94 0.29 5.49 2.01 0.12 -4.91 115.64 120.14 2f54 s THR 44 Ca 0.09 -0.92 -0.29 0.00 0.31 0.00 0.00 61.69 60.88 2f54 s THR 44 Cb -0.12 -1.71 -0.10 0.00 0.01 0.00 0.00 72.50 70.58 2f54 s THR 44 CO 0.02 0.53 1.17 -0.55 -0.69 0.00 0.00 174.62 175.10 2f54 s SER 45 N 0.74 7.10 -0.12 3.53 0.15 -1.26 0.01 113.70 123.85 2f54 s SER 45 Ca -0.10 2.40 -0.09 0.00 0.70 0.00 0.00 55.95 58.86 2f54 s SER 45 Cb -0.16 -2.63 -0.06 0.00 -1.71 0.00 0.00 66.02 61.46 2f54 s SER 45 CO 0.00 -0.28 -0.20 0.18 1.20 0.00 0.00 173.24 174.14 2f54 n LEU 46 N 1.18 1.30 -3.83 3.45 4.77 0.21 -4.90 117.00 119.18 2f54 n LEU 46 Ca -0.00 0.22 -0.10 0.00 -0.03 0.00 0.00 56.01 56.09 2f54 n LEU 46 Cb 0.44 -0.51 -0.08 0.00 -2.33 0.00 0.00 43.42 40.94 2f54 n LEU 46 CO 0.56 0.04 -0.08 -0.76 -1.33 0.00 0.00 177.39 175.82 2f54 s LEU 47 N -7.11 1.31 -0.15 2.23 1.43 -1.19 -4.87 118.68 110.32 2f54 s LEU 47 Ca -0.20 -0.45 -0.04 0.00 -1.03 0.00 0.00 54.13 52.40 2f54 s LEU 47 Cb 0.06 1.06 0.06 0.00 0.03 0.00 0.00 46.19 47.39 2f54 s LEU 47 CO 0.27 -0.64 0.08 -0.22 0.23 0.00 0.00 176.35 176.08 2f54 s LEU 48 N -2.39 0.36 -0.23 1.79 1.98 -1.26 -1.41 118.68 117.51 2f54 s LEU 48 Ca -0.01 -0.53 -0.07 0.00 -2.89 0.00 0.00 54.13 50.63 2f54 s LEU 48 Cb 0.01 -0.25 -0.03 0.00 0.66 0.00 0.00 46.19 46.59 2f54 s LEU 48 CO -0.07 -0.33 0.05 -0.63 -1.89 0.00 0.00 176.35 173.48 2f54 s ILE 49 N 2.13 4.21 0.55 6.68 1.01 -0.02 -4.98 121.20 130.77 2f54 s ILE 49 Ca 0.02 -0.21 -0.16 0.00 0.00 0.00 0.00 60.65 60.30 2f54 s ILE 49 Cb -0.16 -2.95 -0.06 0.00 0.01 0.00 0.00 42.46 39.31 2f54 s ILE 49 CO -0.08 0.37 1.02 -1.10 0.00 0.00 0.00 174.94 175.15 2f54 s GLN 50 N 1.39 3.62 0.61 2.79 -0.21 -1.26 -1.47 119.66 125.12 2f54 s GLN 50 Ca 0.05 1.10 0.32 0.00 0.02 0.00 0.00 55.36 56.85 2f54 s GLN 50 Cb -0.15 -2.08 1.86 0.00 1.00 0.00 0.00 33.01 33.64 2f54 s GLN 50 CO 0.03 -0.56 2.21 0.66 -2.12 0.00 0.00 175.29 175.51 2f54 h SER 51 N 0.71 0.00 1.46 5.90 4.64 -1.50 0.32 113.55 125.09 2f54 h SER 51 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 2f54 h SER 51 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 2f54 h SER 51 CO 0.59 0.00 0.00 0.28 -0.87 0.00 0.00 176.83 176.83 2f54 h SER 52 N 0.00 0.00 -4.82 4.97 0.02 -1.91 -3.48 113.55 108.33 2f54 h SER 52 Ca 0.03 0.00 -0.29 0.00 -0.84 0.00 0.00 61.79 60.69 2f54 h SER 52 Cb 0.20 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.72 2f54 h SER 52 CO -0.00 0.00 -0.12 0.00 -1.14 0.00 0.00 176.83 175.57 2f54 n GLN 53 N -2.41 1.02 0.00 3.45 1.13 0.10 -5.15 117.38 115.52 2f54 n GLN 53 Ca 0.05 -1.74 0.00 0.00 -1.94 0.00 0.00 57.00 53.37 2f54 n GLN 53 Cb 0.42 0.13 0.00 0.00 0.11 0.00 0.00 30.24 30.90 2f54 n GLN 53 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 2f54 n ARG 54 N -1.25 0.00 -1.51 -1.09 1.74 -1.26 -4.70 116.66 108.59 2f54 n ARG 54 Ca 0.01 0.00 -0.38 0.00 -0.77 0.00 0.00 57.85 56.71 2f54 n ARG 54 Cb 0.32 0.00 -0.15 0.00 -1.02 0.00 0.00 32.46 31.61 2f54 n ARG 54 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2f54 n GLU 55 N 0.00 0.10 -4.29 5.56 -0.58 -1.26 -4.40 120.64 115.78 2f54 n GLU 55 Ca 0.00 -0.01 -0.34 0.00 -0.42 0.00 0.00 57.16 56.39 2f54 n GLU 55 Cb 0.00 -1.64 -0.09 0.00 -0.57 0.00 0.00 31.44 29.14 2f54 n GLU 55 CO 0.00 0.00 0.00 -1.14 -0.48 0.00 0.00 177.13 175.51 2f54 s GLN 56 N 8.71 2.98 0.06 3.49 0.74 0.20 -4.93 119.66 130.91 2f54 s GLN 56 Ca 1.32 -0.44 0.05 0.00 0.05 0.00 0.00 55.36 56.34 2f54 s GLN 56 Cb -1.10 -2.80 -0.03 0.00 1.10 0.00 0.00 33.01 30.18 2f54 s GLN 56 CO 0.47 0.68 -0.15 0.99 -0.55 0.00 0.00 175.29 176.74 2f54 s THR 57 N -0.98 1.20 -0.28 -0.34 2.01 -1.26 -1.09 115.64 114.89 2f54 s THR 57 Ca 0.16 -1.16 0.00 0.00 0.31 0.00 0.00 61.69 61.00 2f54 s THR 57 Cb -0.11 -1.11 0.18 0.00 0.01 0.00 0.00 72.50 71.47 2f54 s THR 57 CO 0.06 -0.07 0.53 -0.55 -0.69 0.00 0.00 174.62 173.90 2f54 s SER 58 N -1.41 -0.86 1.65 3.53 0.15 -0.34 -5.00 113.70 111.41 2f54 s SER 58 Ca 0.01 0.47 0.00 0.00 0.70 0.00 0.00 55.95 57.13 2f54 s SER 58 Cb -0.09 1.79 0.00 0.00 -1.71 0.00 0.00 66.02 66.01 2f54 s SER 58 CO 0.02 -0.29 0.00 0.61 1.20 0.00 0.00 173.24 174.78 2f54 n GLY 59 N 5.40 2.84 0.02 9.45 0.00 -1.26 -1.18 105.19 120.46 2f54 n GLY 59 Ca -0.00 -0.26 0.15 0.00 0.00 0.00 0.00 46.02 45.90 2f54 n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2f54 n ARG 60 N 13.57 0.72 -3.55 1.61 1.74 -1.26 -4.81 116.66 124.68 2f54 n ARG 60 Ca 0.00 -0.05 -0.35 0.00 -0.77 0.00 0.00 57.85 56.68 2f54 n ARG 60 Cb 0.00 -1.50 -0.06 0.00 -1.02 0.00 0.00 32.46 29.89 2f54 n ARG 60 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2f54 s LEU 61 N -2.32 4.37 -0.20 0.55 1.43 -0.33 -1.21 118.68 120.96 2f54 s LEU 61 Ca 0.37 0.84 -0.18 0.00 -1.03 0.00 0.00 54.13 54.13 2f54 s LEU 61 Cb 0.21 -2.95 0.05 0.00 0.03 0.00 0.00 46.19 43.54 2f54 s LEU 61 CO 0.42 0.19 0.54 0.21 0.23 0.00 0.00 176.35 177.94 2f54 s ASN 62 N -1.66 -0.58 -0.11 2.29 3.04 -1.00 -1.20 114.94 115.72 2f54 s ASN 62 Ca 0.32 1.09 -0.15 0.00 0.04 0.00 0.00 52.86 54.15 2f54 s ASN 62 Cb -0.14 1.09 0.04 0.00 -1.54 0.00 0.00 41.25 40.69 2f54 s ASN 62 CO 0.17 -0.19 0.40 0.00 -3.04 0.00 0.00 177.10 174.45 2f54 s ALA 63 N 0.43 -1.01 0.26 1.71 0.00 -0.25 0.16 121.76 123.06 2f54 s ALA 63 Ca -0.01 0.96 0.08 0.00 0.00 0.00 0.00 51.96 52.99 2f54 s ALA 63 Cb -0.04 -0.45 -0.04 0.00 0.00 0.00 0.00 23.12 22.59 2f54 s ALA 63 CO -0.01 -0.22 0.16 -1.54 0.00 0.00 0.00 175.76 174.14 2f54 s SER 64 N -0.25 5.32 -0.11 0.00 1.04 -0.61 -0.63 113.70 118.46 2f54 s SER 64 Ca -0.04 -0.34 -0.01 0.00 0.48 0.00 0.00 55.95 56.04 2f54 s SER 64 Cb -0.03 -1.28 0.03 0.00 0.10 0.00 0.00 66.02 64.83 2f54 s SER 64 CO 0.02 -0.04 -0.02 -0.22 0.98 0.00 0.00 173.24 173.97 2f54 s LEU 65 N -3.81 0.92 -0.69 2.42 2.96 -1.26 -2.54 118.68 116.68 2f54 s LEU 65 Ca 0.33 -0.29 0.04 0.00 -0.22 0.00 0.00 54.13 53.98 2f54 s LEU 65 Cb -0.07 -0.61 0.32 0.00 0.50 0.00 0.00 46.19 46.32 2f54 s LEU 65 CO 0.24 -0.19 1.07 -0.67 -1.32 0.00 0.00 176.35 175.48 2f54 n ASP 66 N 5.06 4.87 0.31 3.68 2.03 0.12 -4.68 116.55 127.93 2f54 n ASP 66 Ca -0.09 -3.63 0.15 0.00 0.52 0.00 0.00 54.79 51.75 2f54 n ASP 66 Cb 0.49 -0.71 0.78 0.00 -0.72 0.00 0.00 41.12 40.97 2f54 n ASP 66 CO 0.00 0.00 0.00 0.07 -1.92 0.00 0.00 177.20 175.35 2f54 h LYS 67 N 3.54 0.00 0.19 -0.67 2.10 -1.92 0.46 116.57 120.27 2f54 h LYS 67 Ca 0.21 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.85 2f54 h LYS 67 Cb 0.51 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.84 2f54 h LYS 67 CO 0.90 0.00 -0.09 0.66 -2.00 0.00 0.00 179.45 178.92 2f54 h SER 68 N 0.00 -0.21 -0.48 7.07 4.64 -1.91 -3.09 113.55 119.56 2f54 h SER 68 Ca 0.02 -0.16 -0.13 0.00 -0.47 0.00 0.00 61.79 61.05 2f54 h SER 68 Cb 0.76 0.06 -0.08 0.00 -0.31 0.00 0.00 62.40 62.83 2f54 h SER 68 CO -0.00 0.04 0.17 0.00 -0.87 0.00 0.00 176.83 176.17 2f54 n ALA 69 N -2.32 3.85 -4.10 5.18 0.00 0.12 -4.93 120.51 118.30 2f54 n ALA 69 Ca -0.09 -1.49 -0.41 0.00 0.00 0.00 0.00 53.44 51.45 2f54 n ALA 69 Cb 0.20 -1.17 -0.01 0.00 0.00 0.00 0.00 19.45 18.47 2f54 n ALA 69 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2f54 n GLY 70 N 0.02 -0.63 3.10 0.00 0.00 -0.99 -4.89 105.19 101.79 2f54 n GLY 70 Ca 0.26 0.30 -0.12 0.00 0.00 0.00 0.00 46.02 46.46 2f54 n GLY 70 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2f54 s SER 71 N -3.79 -0.05 -0.02 1.61 0.01 -1.17 -1.82 113.70 108.48 2f54 s SER 71 Ca 0.34 -0.03 -0.06 0.00 1.31 0.00 0.00 55.95 57.52 2f54 s SER 71 Cb -0.18 0.26 0.00 0.00 0.21 0.00 0.00 66.02 66.31 2f54 s SER 71 CO 0.97 -0.29 0.13 -0.55 0.41 0.00 0.00 173.24 173.91 2f54 s SER 72 N -0.95 -0.02 -0.02 2.44 0.15 -0.44 -0.70 113.70 114.16 2f54 s SER 72 Ca -0.10 -0.05 0.03 0.00 0.70 0.00 0.00 55.95 56.53 2f54 s SER 72 Cb -0.06 0.23 -0.01 0.00 -1.71 0.00 0.00 66.02 64.48 2f54 s SER 72 CO 0.01 -0.26 -0.11 -0.89 1.20 0.00 0.00 173.24 173.19 2f54 s THR 73 N -0.89 0.93 -0.20 6.45 2.01 -1.05 -2.10 115.64 120.79 2f54 s THR 73 Ca -0.10 -0.48 -0.05 0.00 0.31 0.00 0.00 61.69 61.37 2f54 s THR 73 Cb -0.06 -0.79 -0.02 0.00 0.01 0.00 0.00 72.50 71.64 2f54 s THR 73 CO 0.01 0.27 -0.02 -0.22 -0.69 0.00 0.00 174.62 173.97 2f54 s LEU 74 N -0.13 3.18 0.12 4.42 2.96 0.06 -1.57 118.68 127.71 2f54 s LEU 74 Ca 0.02 -0.23 0.03 0.00 -0.22 0.00 0.00 54.13 53.74 2f54 s LEU 74 Cb -0.06 -1.80 -0.04 0.00 0.50 0.00 0.00 46.19 44.79 2f54 s LEU 74 CO -0.00 0.07 0.15 -0.31 -1.32 0.00 0.00 176.35 174.94 2f54 s TYR 75 N 0.98 3.26 -0.07 5.38 1.51 0.42 -0.87 117.35 127.97 2f54 s TYR 75 Ca 0.01 0.07 -0.03 0.00 -1.01 0.00 0.00 57.07 56.11 2f54 s TYR 75 Cb -0.14 -1.60 0.04 0.00 -0.11 0.00 0.00 41.96 40.14 2f54 s TYR 75 CO 0.01 0.53 0.12 0.42 -1.11 0.00 0.00 175.55 175.53 2f54 s ILE 76 N -1.59 -0.18 0.68 2.71 1.01 -0.95 -2.37 121.20 120.50 2f54 s ILE 76 Ca 0.31 0.35 -0.11 0.00 0.00 0.00 0.00 60.65 61.20 2f54 s ILE 76 Cb -0.11 -0.23 -0.00 0.00 0.01 0.00 0.00 42.46 42.12 2f54 s ILE 76 CO 0.24 0.15 1.07 0.00 0.00 0.00 0.00 174.94 176.40 2f54 s ALA 77 N 2.06 2.91 0.00 9.38 0.00 -0.35 -1.63 121.76 134.12 2f54 s ALA 77 Ca 0.02 -0.21 0.00 0.00 0.00 0.00 0.00 51.96 51.76 2f54 s ALA 77 Cb -0.12 -3.06 0.00 0.00 0.00 0.00 0.00 23.12 19.94 2f54 s ALA 77 CO -0.05 -1.03 0.00 0.00 0.00 0.00 0.00 175.76 174.68 2f54 n ALA 78 N -2.96 -0.62 -1.67 0.00 0.00 -1.26 -4.65 120.51 109.36 2f54 n ALA 78 Ca 0.07 0.00 -0.46 0.00 0.00 0.00 0.00 53.44 53.04 2f54 n ALA 78 Cb 0.56 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.96 2f54 n ALA 78 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2f54 n SER 79 N 0.87 3.23 -4.69 0.00 7.64 -1.11 -4.61 113.62 114.95 2f54 n SER 79 Ca 0.00 1.05 -0.32 0.00 1.01 0.00 0.00 58.87 60.62 2f54 n SER 79 Cb 0.00 -1.42 -0.08 0.00 -1.01 0.00 0.00 64.21 61.69 2f54 n SER 79 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 2f54 s GLN 80 N 1.68 2.71 0.55 1.43 -0.21 -1.26 -0.48 119.66 124.09 2f54 s GLN 80 Ca 0.82 -0.69 0.27 0.00 0.02 0.00 0.00 55.36 55.78 2f54 s GLN 80 Cb -0.67 -2.63 1.46 0.00 1.00 0.00 0.00 33.01 32.17 2f54 s GLN 80 CO 0.41 0.59 1.99 -1.35 -2.12 0.00 0.00 175.29 174.81 2f54 h PRO 81 N 3.97 0.00 0.00 2.91 0.11 -1.91 0.34 132.00 137.42 2f54 h PRO 81 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2f54 h PRO 81 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2f54 h PRO 81 CO 0.59 0.00 0.00 0.78 -0.21 0.00 0.00 178.00 179.16 2f54 h GLY 82 N 0.00 0.00 2.00 -0.55 0.00 -1.94 -1.78 103.07 100.80 2f54 h GLY 82 Ca 0.23 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.55 2f54 h GLY 82 CO -0.00 0.00 -0.03 -0.55 0.00 0.00 0.00 176.54 175.96 2f54 h ASP 83 N 0.00 0.00 -1.54 0.19 3.32 -0.69 -3.45 116.42 114.25 2f54 h ASP 83 Ca 0.00 0.00 -0.69 0.00 0.02 0.00 0.00 57.03 56.36 2f54 h ASP 83 Cb 0.19 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.75 2f54 h ASP 83 CO 0.00 0.03 1.12 -1.20 -1.72 0.00 0.00 179.24 177.47 2f54 n SER 84 N -3.12 2.61 0.00 6.45 7.64 -0.67 -4.82 113.62 121.70 2f54 n SER 84 Ca 0.02 0.85 0.00 0.00 1.01 0.00 0.00 58.87 60.74 2f54 n SER 84 Cb 0.39 -1.24 0.00 0.00 -1.01 0.00 0.00 64.21 62.35 2f54 n SER 84 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2f54 n ALA 85 N 7.09 0.00 -2.82 -0.43 0.00 -0.31 -4.94 120.51 119.10 2f54 n ALA 85 Ca 0.30 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.39 2f54 n ALA 85 Cb 0.20 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.55 2f54 n ALA 85 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2f54 s THR 86 N -2.50 4.81 -0.12 0.00 2.01 -0.40 -1.32 115.64 118.11 2f54 s THR 86 Ca 0.00 -0.02 -0.03 0.00 0.31 0.00 0.00 61.69 61.95 2f54 s THR 86 Cb 0.00 -3.18 -0.03 0.00 0.01 0.00 0.00 72.50 69.30 2f54 s THR 86 CO 0.00 0.44 -0.02 -0.31 -0.69 0.00 0.00 174.62 174.04 2f54 s TYR 87 N 0.49 3.08 0.06 4.92 1.51 -1.04 -0.31 117.35 126.06 2f54 s TYR 87 Ca 0.04 -0.04 0.07 0.00 -1.01 0.00 0.00 57.07 56.12 2f54 s TYR 87 Cb -0.13 -1.87 -0.03 0.00 -0.11 0.00 0.00 41.96 39.83 2f54 s TYR 87 CO 0.01 0.22 -0.18 -0.51 -1.11 0.00 0.00 175.55 173.97 2f54 s LEU 88 N -0.26 2.21 -0.06 -1.29 1.43 -1.10 -1.78 118.68 117.83 2f54 s LEU 88 Ca 0.05 -0.56 0.04 0.00 -1.03 0.00 0.00 54.13 52.63 2f54 s LEU 88 Cb -0.13 -0.80 0.00 0.00 0.03 0.00 0.00 46.19 45.30 2f54 s LEU 88 CO 0.02 0.07 -0.18 0.00 0.23 0.00 0.00 176.35 176.49 2f54 s ALA 90 N 0.23 1.59 0.25 0.00 0.00 -0.65 -2.42 121.76 120.77 2f54 s ALA 90 Ca -0.09 -1.33 0.04 0.00 0.00 0.00 0.00 51.96 50.58 2f54 s ALA 90 Cb -0.14 -0.10 -0.05 0.00 0.00 0.00 0.00 23.12 22.83 2f54 s ALA 90 CO 0.04 0.13 -0.01 0.14 0.00 0.00 0.00 175.76 176.06 2f54 s VAL 91 N -2.12 1.21 0.01 0.00 -7.23 -0.06 -1.15 120.40 111.06 2f54 s VAL 91 Ca 0.10 -2.05 0.02 0.00 -1.81 0.00 0.00 61.98 58.23 2f54 s VAL 91 Cb -0.05 -2.43 -0.01 0.00 0.56 0.00 0.00 36.38 34.45 2f54 s VAL 91 CO 0.04 -0.28 -0.05 -0.13 -0.31 0.00 0.00 175.10 174.36 2f54 s ARG 92 N -3.83 0.42 0.26 4.82 0.52 -1.16 -0.50 118.95 119.48 2f54 s ARG 92 Ca 0.30 -0.31 -0.30 0.00 -0.52 0.00 0.00 55.73 54.90 2f54 s ARG 92 Cb 0.06 -0.35 -0.09 0.00 0.52 0.00 0.00 34.95 35.09 2f54 s ARG 92 CO 0.10 0.09 1.09 -1.25 0.02 0.00 0.00 175.30 175.35 2f54 s PRO 93 N -0.47 4.65 0.47 3.54 0.04 -1.26 -0.49 135.00 141.47 2f54 s PRO 93 Ca -0.01 1.77 0.13 0.00 0.04 0.00 0.00 61.00 62.93 2f54 s PRO 93 Cb -0.04 -3.21 1.10 0.00 0.04 0.00 0.00 34.50 32.39 2f54 s PRO 93 CO -0.00 0.22 2.08 0.00 0.04 0.00 0.00 177.00 179.33 2f54 h THR 94 N 3.19 0.99 -0.84 1.26 1.03 -1.48 -3.38 112.91 113.69 2f54 h THR 94 Ca -0.46 -0.09 0.00 0.00 -0.01 0.00 0.00 66.41 65.85 2f54 h THR 94 Cb 1.21 0.71 0.00 0.00 -1.07 0.00 0.00 68.15 69.00 2f54 h THR 94 CO 0.68 0.05 0.00 -1.54 -0.01 0.00 0.00 175.52 174.70 2f54 n SER 95 N -4.49 0.00 0.00 0.00 3.41 -1.26 -4.89 113.62 106.39 2f54 n SER 95 Ca 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.63 2f54 n SER 95 Cb 0.18 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.13 2f54 n SER 95 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2f54 n GLY 96 N 0.00 3.31 2.18 5.00 0.00 -1.26 -4.68 105.19 109.74 2f54 n GLY 96 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 2f54 n GLY 96 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2f54 n GLY 97 N -1.40 0.07 0.00 -0.02 0.00 -1.26 -4.94 105.19 97.64 2f54 n GLY 97 Ca 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.51 2f54 n GLY 97 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2f54 n SER 98 N 0.32 1.77 0.00 1.61 3.41 -1.26 -5.00 113.62 114.46 2f54 n SER 98 Ca -0.09 -0.13 0.00 0.00 -0.26 0.00 0.00 58.87 58.40 2f54 n SER 98 Cb 0.57 0.61 0.00 0.00 -0.26 0.00 0.00 64.21 65.13 2f54 n SER 98 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 2f54 n TYR 99 N -0.79 0.00 -2.14 7.33 4.01 -1.26 -4.87 117.16 119.45 2f54 n TYR 99 Ca 0.00 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.32 2f54 n TYR 99 Cb 0.00 -1.43 -0.03 0.00 -0.31 0.00 0.00 39.34 37.57 2f54 n TYR 99 CO 0.00 0.00 0.00 -1.50 -0.46 0.00 0.00 176.86 174.90 2f54 s ILE 100 N -0.85 3.31 0.70 -0.72 -1.16 -1.26 -4.87 121.20 116.35 2f54 s ILE 100 Ca 0.00 0.89 -0.07 0.00 -0.51 0.00 0.00 60.65 60.95 2f54 s ILE 100 Cb 0.00 -3.57 0.05 0.00 0.61 0.00 0.00 42.46 39.56 2f54 s ILE 100 CO 0.00 0.05 1.02 -2.16 -2.81 0.00 0.00 174.94 171.03 2f54 s PRO 101 N 1.53 2.29 -0.09 3.50 0.04 -1.26 -4.48 135.00 136.53 2f54 s PRO 101 Ca 0.66 -0.17 0.01 0.00 0.04 0.00 0.00 61.00 61.54 2f54 s PRO 101 Cb -0.37 -2.16 0.02 0.00 0.04 0.00 0.00 34.50 32.03 2f54 s PRO 101 CO 0.30 -1.19 -0.11 0.99 0.04 0.00 0.00 177.00 177.02 2f54 s THR 102 N -3.24 1.16 0.25 1.26 2.01 0.34 -4.95 115.64 112.47 2f54 s THR 102 Ca 0.59 -0.45 0.06 0.00 0.31 0.00 0.00 61.69 62.21 2f54 s THR 102 Cb -0.11 -1.10 -0.03 0.00 0.01 0.00 0.00 72.50 71.27 2f54 s THR 102 CO 0.45 0.37 0.27 -0.36 -0.69 0.00 0.00 174.62 174.67 2f54 s PHE 103 N 1.06 3.26 0.52 4.92 0.08 -1.26 -0.88 117.98 125.68 2f54 s PHE 103 Ca -0.07 -0.07 0.07 0.00 0.12 0.00 0.00 56.93 56.98 2f54 s PHE 103 Cb -0.15 -1.49 0.05 0.00 -0.57 0.00 0.00 43.02 40.87 2f54 s PHE 103 CO -0.01 0.48 0.72 0.20 -0.10 0.00 0.00 175.22 176.50 2f54 s GLY 104 N -3.91 1.83 0.00 4.36 0.00 -1.02 -4.57 107.32 104.01 2f54 s GLY 104 Ca 0.34 -1.82 0.20 0.00 0.00 0.00 0.00 44.72 43.44 2f54 s GLY 104 CO 0.27 -1.49 1.57 0.54 0.00 0.00 0.00 173.10 173.99 2f54 n ARG 105 N -2.15 1.63 -0.49 2.90 1.74 -1.26 -4.79 116.66 114.24 2f54 n ARG 105 Ca 0.12 -0.94 0.06 0.00 -0.77 0.00 0.00 57.85 56.31 2f54 n ARG 105 Cb 0.60 -1.38 -0.03 0.00 -1.02 0.00 0.00 32.46 30.63 2f54 n ARG 105 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2f54 n GLY 106 N 1.08 -2.55 3.49 -0.13 0.00 -1.26 -4.96 105.19 100.86 2f54 n GLY 106 Ca 0.16 -1.34 -0.33 0.00 0.00 0.00 0.00 46.02 44.51 2f54 n GLY 106 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2f54 s THR 107 N -2.97 3.16 -0.40 2.61 -4.23 -0.74 -4.84 115.64 108.23 2f54 s THR 107 Ca 0.00 -0.70 -0.24 0.00 -1.18 0.00 0.00 61.69 59.57 2f54 s THR 107 Cb 0.00 -2.25 0.02 0.00 1.34 0.00 0.00 72.50 71.61 2f54 s THR 107 CO 0.00 0.59 0.86 -0.55 -0.54 0.00 0.00 174.62 174.97 2f54 s SER 108 N -0.76 6.56 -0.20 3.99 0.15 0.21 -2.50 113.70 121.14 2f54 s SER 108 Ca 0.12 0.30 -0.06 0.00 0.70 0.00 0.00 55.95 57.00 2f54 s SER 108 Cb -0.11 -2.43 -0.03 0.00 -1.71 0.00 0.00 66.02 61.74 2f54 s SER 108 CO 0.01 -0.87 0.04 -0.22 1.20 0.00 0.00 173.24 173.40 2f54 s LEU 109 N 3.39 3.50 -0.24 3.45 2.96 -0.44 0.22 118.68 131.53 2f54 s LEU 109 Ca 0.34 -0.10 0.00 0.00 -0.22 0.00 0.00 54.13 54.15 2f54 s LEU 109 Cb -0.12 -1.90 0.06 0.00 0.50 0.00 0.00 46.19 44.74 2f54 s LEU 109 CO 0.20 0.08 -0.02 -0.63 -1.32 0.00 0.00 176.35 174.66 2f54 s ILE 110 N 0.91 1.35 -0.57 6.68 1.01 0.05 -1.16 121.20 129.47 2f54 s ILE 110 Ca 0.03 -1.17 -0.16 0.00 0.00 0.00 0.00 60.65 59.35 2f54 s ILE 110 Cb -0.14 -1.70 0.14 0.00 0.01 0.00 0.00 42.46 40.77 2f54 s ILE 110 CO 0.02 -0.18 0.55 -0.69 0.00 0.00 0.00 174.94 174.64 2f54 s VAL 111 N 1.47 5.20 0.24 2.92 1.01 -1.26 -2.26 120.40 127.73 2f54 s VAL 111 Ca -0.03 -1.53 -0.30 0.00 0.00 0.00 0.00 61.98 60.12 2f54 s VAL 111 Cb -0.18 -4.37 -0.09 0.00 0.00 0.00 0.00 36.38 31.73 2f54 s VAL 111 CO -0.08 -0.92 1.33 -1.00 0.00 0.00 0.00 175.10 174.44 2f54 s HIS 112 N 1.59 3.17 0.36 5.22 3.76 0.46 -4.21 115.29 125.65 2f54 s HIS 112 Ca 0.05 1.24 -0.26 0.00 -0.15 0.00 0.00 55.06 55.95 2f54 s HIS 112 Cb -0.27 -3.65 -0.09 0.00 1.11 0.00 0.00 32.58 29.67 2f54 s HIS 112 CO 0.02 -1.99 1.08 -1.25 -0.85 0.00 0.00 174.74 171.76 2f54 s PRO 113 N -0.62 4.32 -0.56 8.40 0.04 -1.26 -0.66 135.00 144.66 2f54 s PRO 113 Ca 0.55 1.66 -0.22 0.00 0.04 0.00 0.00 61.00 63.03 2f54 s PRO 113 Cb -0.38 -2.79 0.05 0.00 0.04 0.00 0.00 34.50 31.42 2f54 s PRO 113 CO 0.43 -0.04 0.85 -0.47 0.04 0.00 0.00 177.00 177.81 2f54 s TYR 114 N -1.44 2.85 -0.87 0.56 5.04 -1.26 -4.46 117.35 117.76 2f54 s TYR 114 Ca 0.53 -0.27 -0.17 0.00 -2.44 0.00 0.00 57.07 54.72 2f54 s TYR 114 Cb -0.27 -3.96 0.16 0.00 0.35 0.00 0.00 41.96 38.24 2f54 s TYR 114 CO 0.34 -1.31 0.98 0.42 -1.34 0.00 0.00 175.55 174.64 2f54 s ILE 115 N 3.58 5.03 0.00 3.14 1.01 -1.26 -4.91 121.20 127.79 2f54 s ILE 115 Ca 0.24 -1.84 0.00 0.00 0.00 0.00 0.00 60.65 59.05 2f54 s ILE 115 Cb -0.15 -4.66 0.00 0.00 0.01 0.00 0.00 42.46 37.66 2f54 s ILE 115 CO 0.15 -1.32 0.30 1.67 0.00 0.00 0.00 174.94 175.74 2f54 n GLN 116 N 5.66 0.00 -3.49 2.79 7.27 -1.26 -3.37 117.38 124.98 2f54 n GLN 116 Ca 0.18 0.30 -0.43 0.00 0.07 0.00 0.00 57.00 57.13 2f54 n GLN 116 Cb 0.48 -0.66 -0.05 0.00 2.41 0.00 0.00 30.24 32.42 2f54 n GLN 116 CO 0.00 0.00 0.00 1.21 0.07 0.00 0.00 177.06 178.34 2f54 s ASN 117 N -2.14 6.09 0.85 1.69 2.47 -1.26 -5.07 114.94 117.58 2f54 s ASN 117 Ca 0.00 -2.66 -0.10 0.00 0.42 0.00 0.00 52.86 50.51 2f54 s ASN 117 Cb 0.00 -2.06 0.11 0.00 -1.45 0.00 0.00 41.25 37.84 2f54 s ASN 117 CO 0.00 -0.52 1.11 -2.16 -3.72 0.00 0.00 177.10 171.81 2f54 s PRO 118 N 0.22 1.56 -0.46 0.43 0.04 -1.22 -5.03 135.00 130.55 2f54 s PRO 118 Ca 0.16 1.28 0.06 0.00 0.04 0.00 0.00 61.00 62.54 2f54 s PRO 118 Cb -0.16 -1.81 0.22 0.00 0.04 0.00 0.00 34.50 32.79 2f54 s PRO 118 CO -0.06 -2.16 0.70 -3.47 0.04 0.00 0.00 177.00 172.05 2f54 n ASP 119 N -3.89 -2.00 -4.62 6.66 4.64 -0.26 -5.05 116.55 112.03 2f54 n ASP 119 Ca 0.10 -2.96 -0.42 0.00 -1.38 0.00 0.00 54.79 50.12 2f54 n ASP 119 Cb 0.53 0.94 0.00 0.00 -1.04 0.00 0.00 41.12 41.54 2f54 n ASP 119 CO 0.00 0.00 0.00 -2.65 -0.82 0.00 0.00 177.20 173.73 2f54 n PRO 120 N 2.02 1.49 -3.55 -0.67 -0.02 -1.20 -4.52 135.00 128.55 2f54 n PRO 120 Ca 0.16 0.53 -0.08 0.00 -2.02 0.00 0.00 63.50 62.09 2f54 n PRO 120 Cb 0.57 -2.03 -0.03 0.00 -0.02 0.00 0.00 33.50 31.99 2f54 n PRO 120 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2f54 s ALA 121 N -1.18 -1.92 -0.23 3.55 0.00 -1.00 -2.07 121.76 118.91 2f54 s ALA 121 Ca 0.60 1.33 -0.02 0.00 0.00 0.00 0.00 51.96 53.88 2f54 s ALA 121 Cb -0.60 -0.07 0.07 0.00 0.00 0.00 0.00 23.12 22.52 2f54 s ALA 121 CO 0.59 -0.55 0.03 0.08 0.00 0.00 0.00 175.76 175.91 2f54 s VAL 122 N -2.34 0.80 0.44 0.00 1.01 -0.49 -1.12 120.40 118.70 2f54 s VAL 122 Ca 0.04 -0.87 0.06 0.00 0.00 0.00 0.00 61.98 61.21 2f54 s VAL 122 Cb -0.01 -1.32 0.01 0.00 0.00 0.00 0.00 36.38 35.06 2f54 s VAL 122 CO -0.05 -0.29 0.60 -0.31 0.00 0.00 0.00 175.10 175.05 2f54 s TYR 123 N 1.71 2.86 -0.19 5.22 2.02 -0.91 -4.20 117.35 123.86 2f54 s TYR 123 Ca 0.00 -0.29 -0.00 0.00 -0.37 0.00 0.00 57.07 56.41 2f54 s TYR 123 Cb -0.17 -2.40 0.05 0.00 -0.40 0.00 0.00 41.96 39.03 2f54 s TYR 123 CO -0.11 -0.46 -0.06 -1.14 -1.57 0.00 0.00 175.55 172.21 2f54 s GLN 124 N -4.41 1.58 0.01 -0.62 0.74 -1.26 -1.53 119.66 114.17 2f54 s GLN 124 Ca 0.54 -0.68 -0.01 0.00 0.05 0.00 0.00 55.36 55.26 2f54 s GLN 124 Cb -0.10 -2.22 -0.04 0.00 1.10 0.00 0.00 33.01 31.75 2f54 s GLN 124 CO 0.34 -0.47 0.13 -0.51 -0.55 0.00 0.00 175.29 174.23 2f54 s LEU 125 N 1.54 4.10 -0.00 3.68 1.02 0.39 -4.91 118.68 124.50 2f54 s LEU 125 Ca -0.01 0.21 0.06 0.00 0.02 0.00 0.00 54.13 54.42 2f54 s LEU 125 Cb -0.16 -2.48 -0.03 0.00 0.02 0.00 0.00 46.19 43.54 2f54 s LEU 125 CO -0.08 0.25 -0.19 -0.60 0.02 0.00 0.00 176.35 175.75 2f54 s ARG 126 N -1.95 2.20 0.18 1.70 3.52 -1.26 -0.16 118.95 123.18 2f54 s ARG 126 Ca 0.26 -0.89 -0.33 0.00 -0.13 0.00 0.00 55.73 54.64 2f54 s ARG 126 Cb -0.12 -2.20 -0.14 0.00 -1.56 0.00 0.00 34.95 30.92 2f54 s ARG 126 CO 0.18 0.57 1.43 -3.47 -0.81 0.00 0.00 175.30 173.19 2f54 n ASP 127 N 2.02 2.53 0.00 -2.12 2.03 -0.76 -4.87 116.55 115.38 2f54 n ASP 127 Ca -0.16 1.12 0.06 0.00 0.52 0.00 0.00 54.79 56.32 2f54 n ASP 127 Cb 0.52 -1.37 0.36 0.00 -0.72 0.00 0.00 41.12 39.91 2f54 n ASP 127 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 2f54 n SER 128 N 2.64 0.00 0.03 1.67 3.41 -1.26 -4.11 113.62 116.00 2f54 n SER 128 Ca 0.15 -1.57 -0.00 0.00 -0.26 0.00 0.00 58.87 57.19 2f54 n SER 128 Cb 0.28 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.23 2f54 n SER 128 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2f54 n LYS 129 N -0.69 0.01 -4.24 4.33 5.02 -1.26 -5.03 118.16 116.29 2f54 n LYS 129 Ca 0.09 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 56.05 2f54 n LYS 129 Cb 0.04 -0.51 -0.15 0.00 -0.02 0.00 0.00 35.03 34.39 2f54 n LYS 129 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2f54 s SER 130 N -5.71 3.83 0.77 4.39 0.15 -1.26 -5.12 113.70 110.76 2f54 s SER 130 Ca -0.00 -0.46 0.00 0.00 0.70 0.00 0.00 55.95 56.18 2f54 s SER 130 Cb 0.00 -1.62 0.00 0.00 -1.71 0.00 0.00 66.02 62.69 2f54 s SER 130 CO 0.01 0.04 0.00 -1.20 1.20 0.00 0.00 173.24 173.28 2f54 n SER 131 N 4.39 -1.42 0.00 5.45 7.64 -1.26 -3.74 113.62 124.67 2f54 n SER 131 Ca -0.19 -0.07 0.00 0.00 1.01 0.00 0.00 58.87 59.62 2f54 n SER 131 Cb 0.51 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.71 2f54 n SER 131 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2f54 n ASP 132 N -2.32 0.00 -4.65 6.43 -0.08 -1.26 -4.83 116.55 109.84 2f54 n ASP 132 Ca 0.00 0.00 -0.42 0.00 -1.51 0.00 0.00 54.79 52.86 2f54 n ASP 132 Cb 0.00 0.00 -0.03 0.00 2.34 0.00 0.00 41.12 43.43 2f54 n ASP 132 CO 0.00 0.00 0.00 -0.75 0.12 0.00 0.00 177.20 176.57 2f54 s LYS 133 N 0.00 4.10 0.32 -0.67 2.20 -1.25 -4.96 119.74 119.48 2f54 s LYS 133 Ca 0.00 2.11 0.07 0.00 -0.36 0.00 0.00 55.97 57.79 2f54 s LYS 133 Cb 0.00 -4.01 -0.03 0.00 -1.51 0.00 0.00 37.83 32.29 2f54 s LYS 133 CO 0.00 -0.95 0.29 -1.13 -0.36 0.00 0.00 175.35 173.20 2f54 n SER 134 N 7.45 -0.73 -3.86 1.43 3.41 -1.26 -1.83 113.62 118.23 2f54 n SER 134 Ca 0.18 -3.09 -0.10 0.00 -0.26 0.00 0.00 58.87 55.60 2f54 n SER 134 Cb 0.43 1.67 -0.08 0.00 -0.26 0.00 0.00 64.21 65.97 2f54 n SER 134 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2f54 s VAL 135 N -3.26 0.12 -0.05 -3.33 1.01 0.78 -4.70 120.40 110.97 2f54 s VAL 135 Ca 0.38 -0.96 0.00 0.00 0.00 0.00 0.00 61.98 61.40 2f54 s VAL 135 Cb 0.02 -0.97 -0.03 0.00 0.00 0.00 0.00 36.38 35.40 2f54 s VAL 135 CO 0.27 -0.53 -0.03 0.00 0.00 0.00 0.00 175.10 174.81 2f54 s LEU 137 N -1.10 1.96 -0.03 0.00 2.96 -0.58 -1.66 118.68 120.22 2f54 s LEU 137 Ca 0.15 -1.59 -0.30 0.00 -0.22 0.00 0.00 54.13 52.17 2f54 s LEU 137 Cb -0.11 -0.78 -0.03 0.00 0.50 0.00 0.00 46.19 45.77 2f54 s LEU 137 CO 0.05 -0.42 1.04 0.12 -1.32 0.00 0.00 176.35 175.82 2f54 s PHE 138 N 1.68 3.54 0.22 5.38 5.36 -0.84 -2.15 117.98 131.18 2f54 s PHE 138 Ca 0.10 1.57 -0.13 0.00 -0.96 0.00 0.00 56.93 57.50 2f54 s PHE 138 Cb -0.17 -3.21 0.00 0.00 -0.34 0.00 0.00 43.02 39.30 2f54 s PHE 138 CO -0.27 -0.38 0.45 -0.08 -1.46 0.00 0.00 175.22 173.49 2f54 s THR 139 N 1.46 0.02 -1.97 0.12 -1.32 -0.27 -1.29 115.64 112.39 2f54 s THR 139 Ca 0.52 -1.27 0.00 0.00 -1.21 0.00 0.00 61.69 59.73 2f54 s THR 139 Cb -0.22 -2.00 0.00 0.00 -1.51 0.00 0.00 72.50 68.77 2f54 s THR 139 CO 0.24 -0.08 0.00 0.47 -2.21 0.00 0.00 174.62 173.04 2f54 n ASP 140 N -0.34 -5.30 -4.90 8.08 9.92 -0.84 -2.37 116.55 120.78 2f54 n ASP 140 Ca -0.04 0.35 -0.28 0.00 -0.53 0.00 0.00 54.79 54.28 2f54 n ASP 140 Cb 0.62 -4.63 0.02 0.00 -0.64 0.00 0.00 41.12 36.50 2f54 n ASP 140 CO 0.00 0.00 0.00 0.72 0.13 0.00 0.00 177.20 178.05 2f54 s PHE 141 N -2.76 3.44 0.70 1.24 -0.71 -1.26 -1.10 117.98 117.54 2f54 s PHE 141 Ca 0.00 0.89 -0.13 0.00 -1.04 0.00 0.00 56.93 56.65 2f54 s PHE 141 Cb 0.00 -2.65 0.02 0.00 -1.21 0.00 0.00 43.02 39.18 2f54 s PHE 141 CO 0.00 -0.68 1.10 0.34 -1.34 0.00 0.00 175.22 174.64 2f54 s ASP 142 N -4.23 4.88 0.55 1.98 -1.08 -1.26 -4.59 116.67 112.93 2f54 s ASP 142 Ca 0.53 1.92 0.27 0.00 -0.52 0.00 0.00 52.55 54.75 2f54 s ASP 142 Cb -0.11 -2.54 1.61 0.00 -1.46 0.00 0.00 42.92 40.42 2f54 s ASP 142 CO 0.48 -1.79 2.16 0.77 0.52 0.00 0.00 175.17 177.32 2f54 h SER 143 N -0.44 0.00 -1.55 -0.34 4.64 -1.92 -3.07 113.55 110.86 2f54 h SER 143 Ca -0.45 0.00 -0.76 0.00 -0.47 0.00 0.00 61.79 60.11 2f54 h SER 143 Cb 1.24 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 63.15 2f54 h SER 143 CO 0.53 0.06 1.86 1.67 -0.87 0.00 0.00 176.83 180.08 2f54 n GLN 144 N -3.82 4.83 -3.29 4.77 7.27 -1.26 -4.80 117.38 121.08 2f54 n GLN 144 Ca -0.02 -3.86 -0.06 0.00 0.07 0.00 0.00 57.00 53.12 2f54 n GLN 144 Cb 0.15 -2.56 -0.06 0.00 2.41 0.00 0.00 30.24 30.19 2f54 n GLN 144 CO 0.00 0.00 0.00 0.99 0.07 0.00 0.00 177.06 178.12 2f54 s THR 145 N -2.37 -0.70 0.37 1.69 2.01 -1.16 -5.13 115.64 110.34 2f54 s THR 145 Ca 0.49 -0.13 -0.16 0.00 0.31 0.00 0.00 61.69 62.20 2f54 s THR 145 Cb 0.20 -0.91 -0.09 0.00 0.01 0.00 0.00 72.50 71.70 2f54 s THR 145 CO -0.12 -0.15 0.81 0.20 -0.69 0.00 0.00 174.62 174.68 2f54 s ASN 146 N 2.61 6.79 -0.79 3.53 0.01 -1.26 -4.96 114.94 120.87 2f54 s ASN 146 Ca 0.13 1.39 0.02 0.00 -0.71 0.00 0.00 52.86 53.69 2f54 s ASN 146 Cb -0.14 -2.42 0.21 0.00 0.41 0.00 0.00 41.25 39.31 2f54 s ASN 146 CO -0.22 -0.29 0.71 0.52 -1.51 0.00 0.00 177.10 176.32 2f54 n VAL 147 N -0.60 2.51 -1.04 1.60 0.31 -1.26 -4.70 118.33 115.16 2f54 n VAL 147 Ca 0.05 -5.10 -0.34 0.00 -0.01 0.00 0.00 64.34 58.94 2f54 n VAL 147 Cb 0.53 -2.23 0.10 0.00 -0.91 0.00 0.00 33.84 31.33 2f54 n VAL 147 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 2f54 n SER 148 N 1.82 -1.00 -4.80 4.52 3.41 -1.26 -4.88 113.62 111.42 2f54 n SER 148 Ca 0.23 0.49 -0.29 0.00 -0.26 0.00 0.00 58.87 59.03 2f54 n SER 148 Cb 0.37 -1.28 0.11 0.00 -0.26 0.00 0.00 64.21 63.14 2f54 n SER 148 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 2f54 s GLN 149 N -3.43 1.68 0.41 4.33 -1.52 -1.26 -4.91 119.66 114.95 2f54 s GLN 149 Ca 0.64 0.47 -0.24 0.00 -1.95 0.00 0.00 55.36 54.28 2f54 s GLN 149 Cb -0.28 -1.89 -0.09 0.00 -0.22 0.00 0.00 33.01 30.54 2f54 s GLN 149 CO 0.60 -1.87 1.08 0.45 -0.25 0.00 0.00 175.29 175.31 2f54 s SER 150 N -3.98 6.64 0.00 5.90 0.15 -1.26 -4.96 113.70 116.19 2f54 s SER 150 Ca 0.62 2.12 0.19 0.00 0.70 0.00 0.00 55.95 59.59 2f54 s SER 150 Cb -0.14 -2.59 -0.16 0.00 -1.71 0.00 0.00 66.02 61.42 2f54 s SER 150 CO 0.54 -0.58 0.85 2.29 1.20 0.00 0.00 173.24 177.54 2f54 n LYS 151 N -0.10 0.88 -4.01 5.44 -0.00 -1.26 -4.92 118.16 114.20 2f54 n LYS 151 Ca 0.05 -0.23 -0.35 0.00 -0.00 0.00 0.00 58.31 57.78 2f54 n LYS 151 Cb 0.49 -1.40 -0.12 0.00 -0.00 0.00 0.00 35.03 34.00 2f54 n LYS 151 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 2f54 s ASP 152 N -2.67 5.06 0.59 -5.58 3.68 -1.26 -4.99 116.67 111.50 2f54 s ASP 152 Ca 0.09 -0.14 0.36 0.00 2.13 0.00 0.00 52.55 54.99 2f54 s ASP 152 Cb 0.15 -1.87 1.81 0.00 -1.45 0.00 0.00 42.92 41.55 2f54 s ASP 152 CO 0.71 0.07 2.17 0.77 0.13 0.00 0.00 175.17 179.02 2f54 h SER 153 N 7.47 0.00 -0.39 -0.34 4.64 -2.04 -1.10 113.55 121.79 2f54 h SER 153 Ca -0.36 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.96 2f54 h SER 153 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 2f54 h SER 153 CO 0.62 0.04 0.00 -0.67 -0.87 0.00 0.00 176.83 175.94 2f54 n ASP 154 N -3.27 3.01 -4.20 4.97 4.64 -1.26 -4.85 116.55 115.58 2f54 n ASP 154 Ca -0.02 -1.93 -0.32 0.00 -1.38 0.00 0.00 54.79 51.14 2f54 n ASP 154 Cb 0.19 -0.25 -0.17 0.00 -1.04 0.00 0.00 41.12 39.85 2f54 n ASP 154 CO 0.00 0.00 0.00 -0.69 -0.82 0.00 0.00 177.20 175.69 2f54 s VAL 155 N -1.50 2.13 -0.12 5.18 1.01 -0.42 -4.29 120.40 122.40 2f54 s VAL 155 Ca 0.38 -0.97 0.01 0.00 0.00 0.00 0.00 61.98 61.39 2f54 s VAL 155 Cb 0.21 -1.84 -0.01 0.00 0.00 0.00 0.00 36.38 34.74 2f54 s VAL 155 CO 0.29 0.55 -0.15 -0.31 0.00 0.00 0.00 175.10 175.49 2f54 s TYR 156 N 0.59 2.77 -0.14 5.22 2.02 -1.02 -4.69 117.35 122.11 2f54 s TYR 156 Ca -0.12 -0.68 -0.01 0.00 -0.37 0.00 0.00 57.07 55.89 2f54 s TYR 156 Cb -0.17 -1.82 0.04 0.00 -0.40 0.00 0.00 41.96 39.62 2f54 s TYR 156 CO 0.03 -0.22 -0.01 0.42 -1.57 0.00 0.00 175.55 174.20 2f54 s ILE 157 N 0.30 0.68 0.24 2.71 1.01 -1.26 -2.29 121.20 122.60 2f54 s ILE 157 Ca -0.11 -0.33 -0.21 0.00 0.00 0.00 0.00 60.65 60.00 2f54 s ILE 157 Cb -0.16 -0.94 -0.08 0.00 0.01 0.00 0.00 42.46 41.29 2f54 s ILE 157 CO 0.06 0.09 0.76 0.42 0.00 0.00 0.00 174.94 176.27 2f54 s THR 158 N 1.82 4.52 1.40 2.92 -4.23 -0.41 -4.78 115.64 116.88 2f54 s THR 158 Ca 0.02 1.36 -0.22 0.00 -1.18 0.00 0.00 61.69 61.66 2f54 s THR 158 Cb -0.15 -3.88 0.36 0.00 1.34 0.00 0.00 72.50 70.18 2f54 s THR 158 CO -0.07 0.19 0.95 -0.62 -0.54 0.00 0.00 174.62 174.53 2f54 s ASP 159 N -1.66 -0.88 0.17 3.99 -1.08 -1.26 -3.38 116.67 112.56 2f54 s ASP 159 Ca 0.44 0.84 -0.29 0.00 -0.52 0.00 0.00 52.55 53.02 2f54 s ASP 159 Cb -0.17 -1.18 -0.07 0.00 -1.46 0.00 0.00 42.92 40.03 2f54 s ASP 159 CO 0.21 -5.25 0.91 -0.54 0.52 0.00 0.00 175.17 171.02 2f54 s LYS 160 N -5.10 4.73 0.01 4.34 1.02 -1.26 -4.40 119.74 119.08 2f54 s LYS 160 Ca 0.69 1.39 0.02 0.00 0.02 0.00 0.00 55.97 58.09 2f54 s LYS 160 Cb -0.13 -3.32 -0.01 0.00 -0.52 0.00 0.00 37.83 33.85 2f54 s LYS 160 CO 0.58 0.40 -0.07 0.00 -0.92 0.00 0.00 175.35 175.34 2f54 s VAL 162 N -0.58 5.05 0.18 0.00 0.11 -1.26 -2.56 120.40 121.34 2f54 s VAL 162 Ca -0.02 0.89 0.11 0.00 -2.93 0.00 0.00 61.98 60.03 2f54 s VAL 162 Cb -0.05 -3.75 -0.04 0.00 -1.53 0.00 0.00 36.38 31.01 2f54 s VAL 162 CO 0.00 0.51 -0.23 -1.48 -3.33 0.00 0.00 175.10 170.57 2f54 s LEU 163 N -0.62 2.42 -0.08 2.54 0.05 -0.51 -4.96 118.68 117.52 2f54 s LEU 163 Ca 0.24 -0.85 0.02 0.00 0.05 0.00 0.00 54.13 53.60 2f54 s LEU 163 Cb -0.16 -1.10 0.01 0.00 -2.05 0.00 0.00 46.19 42.89 2f54 s LEU 163 CO 0.13 0.09 -0.14 -0.62 -0.55 0.00 0.00 176.35 175.26 2f54 s ASP 164 N -2.59 2.12 -1.10 1.48 -1.08 -1.26 -1.75 116.67 112.48 2f54 s ASP 164 Ca 0.19 -0.36 -0.10 0.00 -0.52 0.00 0.00 52.55 51.76 2f54 s ASP 164 Cb -0.08 -0.96 0.26 0.00 -1.46 0.00 0.00 42.92 40.69 2f54 s ASP 164 CO 0.09 0.03 1.12 -0.04 0.52 0.00 0.00 175.17 176.89 2f54 s MET 165 N 0.79 4.15 0.16 4.34 -1.94 0.24 -4.94 119.30 122.11 2f54 s MET 165 Ca -0.12 -3.11 -0.23 0.00 -1.71 0.00 0.00 55.69 50.53 2f54 s MET 165 Cb -0.16 -4.60 0.05 0.00 2.01 0.00 0.00 34.83 32.14 2f54 s MET 165 CO 0.02 -1.30 1.60 0.00 -0.01 0.00 0.00 175.02 175.34 2f54 h ARG 166 N 6.80 -0.25 -0.10 2.03 3.08 -1.97 -1.16 114.38 122.81 2f54 h ARG 166 Ca 0.19 0.02 0.03 0.00 0.07 0.00 0.00 59.98 60.28 2f54 h ARG 166 Cb 0.89 0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.99 2f54 h ARG 166 CO 1.02 -0.17 0.09 0.66 -1.07 0.00 0.00 179.97 180.50 2f54 h SER 167 N -0.26 0.00 -0.68 7.04 4.64 -1.96 0.43 113.55 122.76 2f54 h SER 167 Ca 0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 2f54 h SER 167 Cb 0.53 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 2f54 h SER 167 CO -0.51 0.00 0.00 0.23 -0.87 0.00 0.00 176.83 175.68 2f54 n MET 168 N -4.05 2.93 -3.79 4.77 2.81 -0.61 -4.99 117.12 114.19 2f54 n MET 168 Ca -0.01 -2.64 -0.26 0.00 -1.81 0.00 0.00 57.70 52.98 2f54 n MET 168 Cb 0.20 -1.60 0.01 0.00 -0.71 0.00 0.00 33.22 31.12 2f54 n MET 168 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 2f54 n ASP 169 N 1.42 -2.71 -3.87 7.83 2.03 0.14 -4.94 116.55 116.45 2f54 n ASP 169 Ca 0.23 -0.78 -0.16 0.00 0.52 0.00 0.00 54.79 54.61 2f54 n ASP 169 Cb 0.65 -1.00 -0.15 0.00 -0.72 0.00 0.00 41.12 39.90 2f54 n ASP 169 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 2f54 s PHE 170 N -3.67 0.29 0.09 -0.67 5.36 -1.07 -5.03 117.98 113.29 2f54 s PHE 170 Ca 0.23 -0.03 0.08 0.00 -0.96 0.00 0.00 56.93 56.25 2f54 s PHE 170 Cb -0.13 -0.29 -0.03 0.00 -0.34 0.00 0.00 43.02 42.23 2f54 s PHE 170 CO 0.61 -0.07 -0.19 0.15 -1.46 0.00 0.00 175.22 174.25 2f54 s LYS 171 N 0.46 1.07 -0.15 10.12 1.02 -1.26 -0.59 119.74 130.41 2f54 s LYS 171 Ca -0.05 -1.10 -0.16 0.00 0.02 0.00 0.00 55.97 54.68 2f54 s LYS 171 Cb -0.07 -1.28 0.04 0.00 -0.52 0.00 0.00 37.83 36.00 2f54 s LYS 171 CO -0.01 0.30 0.44 -1.54 -0.92 0.00 0.00 175.35 173.62 2f54 s SER 172 N -1.82 -0.45 0.36 2.83 1.04 -0.72 -4.86 113.70 110.08 2f54 s SER 172 Ca 0.05 0.83 -0.07 0.00 0.48 0.00 0.00 55.95 57.23 2f54 s SER 172 Cb -0.10 0.85 -0.06 0.00 0.10 0.00 0.00 66.02 66.82 2f54 s SER 172 CO 0.04 -0.19 0.67 0.20 0.98 0.00 0.00 173.24 174.94 2f54 s ASN 173 N 0.06 6.46 -0.28 7.02 0.01 -1.26 -1.42 114.94 125.53 2f54 s ASN 173 Ca -0.01 0.92 -0.25 0.00 -0.71 0.00 0.00 52.86 52.80 2f54 s ASN 173 Cb -0.03 -2.23 0.11 0.00 0.41 0.00 0.00 41.25 39.50 2f54 s ASN 173 CO 0.01 -0.33 0.93 -0.94 -1.51 0.00 0.00 177.10 175.27 2f54 s SER 174 N -3.27 -0.54 0.20 -1.22 1.04 -1.06 -1.99 113.70 106.85 2f54 s SER 174 Ca 0.47 1.05 0.08 0.00 0.48 0.00 0.00 55.95 58.03 2f54 s SER 174 Cb -0.10 1.06 -0.05 0.00 0.10 0.00 0.00 66.02 67.03 2f54 s SER 174 CO 0.32 -0.18 -0.16 0.00 0.98 0.00 0.00 173.24 174.19 2f54 s ALA 175 N 0.26 2.09 0.03 5.32 0.00 -0.41 -1.78 121.76 127.27 2f54 s ALA 175 Ca 0.02 -1.62 0.06 0.00 0.00 0.00 0.00 51.96 50.42 2f54 s ALA 175 Cb -0.05 -0.14 -0.02 0.00 0.00 0.00 0.00 23.12 22.91 2f54 s ALA 175 CO -0.04 0.14 -0.18 0.08 0.00 0.00 0.00 175.76 175.76 2f54 s VAL 176 N -2.61 1.47 -0.00 0.00 1.01 -1.22 -1.98 120.40 117.07 2f54 s VAL 176 Ca 0.21 -1.07 0.00 0.00 0.00 0.00 0.00 61.98 61.12 2f54 s VAL 176 Cb -0.03 -1.28 0.01 0.00 0.00 0.00 0.00 36.38 35.08 2f54 s VAL 176 CO 0.08 0.19 0.00 0.00 0.00 0.00 0.00 175.10 175.37 2f54 s ALA 177 N -0.74 0.04 0.17 5.51 0.00 -0.66 -1.29 121.76 124.79 2f54 s ALA 177 Ca 0.06 0.06 -0.21 0.00 0.00 0.00 0.00 51.96 51.87 2f54 s ALA 177 Cb -0.08 -0.06 0.06 0.00 0.00 0.00 0.00 23.12 23.03 2f54 s ALA 177 CO 0.01 -0.02 0.57 1.67 0.00 0.00 0.00 175.76 177.99 2f54 s TRP 178 N 0.24 -0.41 0.07 0.00 -2.14 -0.97 -0.72 118.94 115.02 2f54 s TRP 178 Ca -0.02 0.14 -0.12 0.00 2.66 0.00 0.00 56.10 58.76 2f54 s TRP 178 Cb -0.03 0.50 0.01 0.00 -3.10 0.00 0.00 33.47 30.86 2f54 s TRP 178 CO -0.01 -0.87 0.27 -1.12 -2.66 0.00 0.00 176.95 172.57 2f54 s SER 179 N -2.79 -0.04 0.15 -2.66 0.01 -1.26 -2.43 113.70 104.69 2f54 s SER 179 Ca 0.03 -0.39 0.22 0.00 1.31 0.00 0.00 55.95 57.12 2f54 s SER 179 Cb -0.01 0.36 -0.07 0.00 0.21 0.00 0.00 66.02 66.52 2f54 s SER 179 CO -0.10 -0.69 0.93 -3.20 0.41 0.00 0.00 173.24 170.59 2f54 n ASN 180 N 0.22 0.70 -4.72 2.44 4.05 -1.26 -4.91 115.26 111.79 2f54 n ASN 180 Ca -0.17 0.27 -0.35 0.00 0.45 0.00 0.00 54.58 54.78 2f54 n ASN 180 Cb 0.61 0.71 0.10 0.00 1.23 0.00 0.00 39.78 42.43 2f54 n ASN 180 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 177.26 173.46 2f54 s LYS 181 N -3.37 2.11 -1.05 1.20 2.47 -1.26 -4.93 119.74 114.91 2f54 s LYS 181 Ca -0.02 1.88 -0.03 0.00 -1.56 0.00 0.00 55.97 56.24 2f54 s LYS 181 Cb 0.10 -1.82 0.31 0.00 -1.46 0.00 0.00 37.83 34.97 2f54 s LYS 181 CO 0.81 -1.89 1.53 0.45 0.16 0.00 0.00 175.35 176.41 2f54 n SER 182 N -2.62 6.52 0.09 1.43 2.88 -1.26 -4.66 113.62 116.00 2f54 n SER 182 Ca 0.14 -3.48 0.00 0.00 -1.33 0.00 0.00 58.87 54.20 2f54 n SER 182 Cb 0.49 -1.22 0.00 0.00 -0.75 0.00 0.00 64.21 62.74 2f54 n SER 182 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2f54 n ASP 183 N 0.98 0.07 -4.82 -3.46 4.64 -1.26 -5.15 116.55 107.55 2f54 n ASP 183 Ca 0.31 0.30 -0.22 0.00 -1.38 0.00 0.00 54.79 53.80 2f54 n ASP 183 Cb 0.32 0.18 -0.04 0.00 -1.04 0.00 0.00 41.12 40.53 2f54 n ASP 183 CO 0.00 0.00 0.00 0.72 -0.82 0.00 0.00 177.20 177.10 2f54 s PHE 184 N -1.70 3.04 -0.46 -0.67 -0.12 -1.26 -5.07 117.98 111.74 2f54 s PHE 184 Ca 0.00 -0.16 0.06 0.00 -0.05 0.00 0.00 56.93 56.78 2f54 s PHE 184 Cb 0.00 -1.48 0.22 0.00 -0.63 0.00 0.00 43.02 41.13 2f54 s PHE 184 CO 0.00 0.45 0.49 0.00 -0.05 0.00 0.00 175.22 176.11 2f54 n ALA 185 N -1.20 2.88 -0.94 1.99 0.00 -1.26 -5.02 120.51 116.96 2f54 n ALA 185 Ca -0.06 -3.58 0.00 0.00 0.00 0.00 0.00 53.44 49.79 2f54 n ALA 185 Cb 0.58 -0.82 0.00 0.00 0.00 0.00 0.00 19.45 19.21 2f54 n ALA 185 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2f54 n ALA 187 N 11.33 0.00 -0.04 0.00 0.00 -1.26 0.16 120.51 130.69 2f54 n ALA 187 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 2f54 n ALA 187 Cb 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.31 2f54 n ALA 187 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2f54 n ASN 188 N 0.00 1.04 -0.37 0.00 4.05 -1.26 -4.64 115.26 114.07 2f54 n ASN 188 Ca 0.00 0.23 0.00 0.00 0.45 0.00 0.00 54.58 55.27 2f54 n ASN 188 Cb 0.00 -0.03 0.06 0.00 1.23 0.00 0.00 39.78 41.04 2f54 n ASN 188 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2f54 h ALA 189 N 0.72 0.25 -0.19 5.20 0.00 0.11 -1.66 119.26 123.70 2f54 h ALA 189 Ca -0.40 0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 2f54 h ALA 189 Cb 2.06 0.96 -0.00 0.00 0.00 0.00 0.00 17.79 20.80 2f54 h ALA 189 CO 0.06 -0.58 0.01 1.19 0.00 0.00 0.00 179.25 179.92 2f54 n PHE 190 N -5.50 0.67 -1.72 0.00 3.72 -1.26 -4.88 117.46 108.49 2f54 n PHE 190 Ca 0.11 -0.25 -0.35 0.00 -0.05 0.00 0.00 57.45 56.91 2f54 n PHE 190 Cb 0.42 -0.24 -0.03 0.00 -0.94 0.00 0.00 39.48 38.68 2f54 n PHE 190 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 176.76 175.91 2f54 s ASN 191 N -0.22 4.65 0.06 4.37 0.02 -0.63 -3.70 114.94 119.50 2f54 s ASN 191 Ca 0.17 0.71 0.00 0.00 -1.02 0.00 0.00 52.86 52.72 2f54 s ASN 191 Cb 0.13 -2.52 0.00 0.00 0.02 0.00 0.00 41.25 38.89 2f54 s ASN 191 CO 0.05 -2.82 0.00 -0.46 0.02 0.00 0.00 177.10 173.89 2f54 n ASN 192 N 15.16 -0.56 -0.20 -1.22 0.23 -1.26 -4.96 115.26 122.45 2f54 n ASN 192 Ca 0.33 0.26 0.05 0.00 -0.53 0.00 0.00 54.58 54.69 2f54 n ASN 192 Cb 0.53 0.75 0.07 0.00 -2.08 0.00 0.00 39.78 39.05 2f54 n ASN 192 CO 0.00 0.00 0.00 -0.24 -0.93 0.00 0.00 177.26 176.09 2f54 n SER 193 N -2.36 1.35 0.00 0.53 2.88 -1.25 -4.97 113.62 109.80 2f54 n SER 193 Ca 0.00 -2.46 0.00 0.00 -1.33 0.00 0.00 58.87 55.08 2f54 n SER 193 Cb 0.00 -0.28 0.00 0.00 -0.75 0.00 0.00 64.21 63.18 2f54 n SER 193 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 2f54 n ILE 194 N -0.75 0.00 -3.65 2.46 -0.00 -1.24 -4.83 119.36 111.35 2f54 n ILE 194 Ca 0.08 0.00 -0.23 0.00 -0.00 0.00 0.00 62.75 62.60 2f54 n ILE 194 Cb 0.61 0.00 0.00 0.00 -0.00 0.00 0.00 39.64 40.25 2f54 n ILE 194 CO 0.00 0.00 0.00 2.30 -0.00 0.00 0.00 176.55 178.85 2f54 n ILE 195 N -2.87 -2.64 -1.06 7.28 -6.64 -1.26 -4.81 119.36 107.36 2f54 n ILE 195 Ca 0.00 -0.06 -0.15 0.00 -1.77 0.00 0.00 62.75 60.77 2f54 n ILE 195 Cb 0.00 -2.35 -0.08 0.00 -1.44 0.00 0.00 39.64 35.77 2f54 n ILE 195 CO 0.00 0.00 0.00 -0.81 -1.77 0.00 0.00 176.55 173.97 2f54 n PRO 196 N -2.53 1.94 -0.27 6.28 -0.04 -1.26 -4.54 135.00 134.58 2f54 n PRO 196 Ca -0.26 -1.34 0.01 0.00 -0.04 0.00 0.00 63.50 61.88 2f54 n PRO 196 Cb 0.58 -1.83 0.14 0.00 -0.04 0.00 0.00 33.50 32.34 2f54 n PRO 196 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 2f54 h GLU 197 N 2.47 0.69 0.00 0.54 4.11 -1.99 -3.34 114.58 117.06 2f54 h GLU 197 Ca 0.24 -0.04 0.00 0.00 0.07 0.00 0.00 59.36 59.63 2f54 h GLU 197 Cb 1.11 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.20 2f54 h GLU 197 CO 0.47 0.46 -0.08 -0.25 0.07 0.00 0.00 179.01 179.68 2f54 n ASP 198 N -4.79 0.00 -4.31 3.06 10.43 -1.26 -5.04 116.55 114.63 2f54 n ASP 198 Ca 0.12 -1.15 -0.10 0.00 2.57 0.00 0.00 54.79 56.22 2f54 n ASP 198 Cb 0.25 -0.03 -0.09 0.00 1.84 0.00 0.00 41.12 43.09 2f54 n ASP 198 CO 0.00 0.00 0.00 0.35 -1.07 0.00 0.00 177.20 176.48 2f54 n THR 199 N 0.00 0.00 -1.58 -3.53 -2.24 -1.26 -4.65 114.28 101.02 2f54 n THR 199 Ca 0.00 -0.41 -0.50 0.00 -2.27 0.00 0.00 64.05 60.88 2f54 n THR 199 Cb 0.53 -0.61 -0.06 0.00 -2.10 0.00 0.00 70.33 68.09 2f54 n THR 199 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 2f54 n PHE 200 N 9.42 1.96 -3.59 4.78 7.35 -0.88 -4.74 117.46 131.76 2f54 n PHE 200 Ca 0.32 0.15 -0.40 0.00 -0.76 0.00 0.00 57.45 56.75 2f54 n PHE 200 Cb 0.39 -2.60 -0.09 0.00 0.35 0.00 0.00 39.48 37.53 2f54 n PHE 200 CO 0.00 0.00 0.00 -0.06 -0.76 0.00 0.00 176.76 175.94 2f54 s PHE 201 N 5.91 3.46 0.61 -5.13 0.08 -1.26 -1.40 117.98 120.25 2f54 s PHE 201 Ca 1.01 -2.01 -0.18 0.00 0.12 0.00 0.00 56.93 55.87 2f54 s PHE 201 Cb -0.75 -3.46 -0.07 0.00 -0.57 0.00 0.00 43.02 38.18 2f54 s PHE 201 CO 0.50 -0.98 0.67 -2.30 -0.10 0.00 0.00 175.22 173.00 2f54 n PRO 202 N 4.73 0.59 -3.21 0.24 -0.02 -1.26 -4.91 135.00 131.16 2f54 n PRO 202 Ca -0.05 0.23 -0.46 0.00 -2.02 0.00 0.00 63.50 61.21 2f54 n PRO 202 Cb 0.41 -1.87 -0.01 0.00 -0.02 0.00 0.00 33.50 32.00 2f54 n PRO 202 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2f54 s SER 203 N -1.25 6.93 0.00 2.55 0.15 -1.26 -5.00 113.70 115.81 2f54 s SER 203 Ca 0.71 -2.86 0.00 0.00 0.70 0.00 0.00 55.95 54.50 2f54 s SER 203 Cb -0.42 -2.27 0.00 0.00 -1.71 0.00 0.00 66.02 61.62 2f54 s SER 203 CO 0.52 -0.61 0.00 -2.65 1.20 0.00 0.00 173.24 171.71 2f54 n PRO 204 N 4.30 0.00 0.00 5.44 -0.02 -1.26 -5.26 135.00 138.19 2f54 n PRO 204 Ca 0.21 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.69 2f54 n PRO 204 Cb 0.45 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.93 2f54 n PRO 204 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87