#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1smy n LEU 2 N 0.00 1.39 0.00 4.03 4.77 -1.26 -4.61 117.00 121.32 1smy n LEU 2 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1smy n LEU 2 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1smy n LEU 2 CO 0.00 0.23 0.00 -0.67 -1.33 0.00 0.00 177.39 175.62 1smy n ASP 3 N -1.95 0.00 -0.18 -1.43 2.03 -1.26 -4.50 116.55 109.26 1smy n ASP 3 Ca 0.00 0.00 -0.02 0.00 0.52 0.00 0.00 54.79 55.29 1smy n ASP 3 Cb 0.24 0.00 0.04 0.00 -0.72 0.00 0.00 41.12 40.68 1smy n ASP 3 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 1smy h SER 4 N 0.00 -0.58 0.03 1.67 0.02 -1.99 -0.03 113.55 112.67 1smy h SER 4 Ca 0.00 0.17 -0.27 0.00 -0.84 0.00 0.00 61.79 60.86 1smy h SER 4 Cb 0.00 0.37 0.02 0.00 0.14 0.00 0.00 62.40 62.93 1smy h SER 4 CO 0.00 -0.20 -1.05 0.50 -1.14 0.00 0.00 176.83 174.94 1smy h LYS 5 N -0.03 0.69 0.00 3.45 1.63 -1.97 -3.06 116.57 117.28 1smy h LYS 5 Ca 0.26 -0.74 -0.01 0.00 -0.85 0.00 0.00 60.65 59.30 1smy h LYS 5 Cb 0.43 0.21 -0.00 0.00 -0.60 0.00 0.00 32.23 32.27 1smy h LYS 5 CO -0.58 1.32 -0.07 1.25 -3.45 0.00 0.00 179.45 177.93 1smy h LEU 6 N 0.38 0.00 -1.78 5.20 5.85 -1.71 -0.37 115.31 122.89 1smy h LEU 6 Ca -0.13 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.59 1smy h LEU 6 Cb 1.70 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.73 1smy h LEU 6 CO 0.20 0.07 0.00 1.17 -0.34 0.00 0.00 178.44 179.54 1smy n LYS 7 N -3.38 0.91 -2.10 1.25 4.81 -0.05 -4.87 118.16 114.73 1smy n LYS 7 Ca -0.01 0.00 -0.35 0.00 -0.87 0.00 0.00 58.31 57.08 1smy n LYS 7 Cb 0.22 -1.14 0.02 0.00 0.02 0.00 0.00 35.03 34.15 1smy n LYS 7 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1smy s ALA 8 N -0.16 2.61 -0.01 3.14 0.00 -0.15 -4.74 121.76 122.45 1smy s ALA 8 Ca 0.00 0.82 -0.39 0.00 0.00 0.00 0.00 51.96 52.39 1smy s ALA 8 Cb 0.00 -3.38 -0.18 0.00 0.00 0.00 0.00 23.12 19.56 1smy s ALA 8 CO 0.00 -0.97 1.26 -2.30 0.00 0.00 0.00 175.76 173.75 1smy n PRO 9 N -1.60 0.56 -2.97 0.00 -0.02 -1.26 -4.81 135.00 124.90 1smy n PRO 9 Ca 0.12 0.20 -0.44 0.00 -2.02 0.00 0.00 63.50 61.36 1smy n PRO 9 Cb 0.51 -1.78 0.00 0.00 -0.02 0.00 0.00 33.50 32.22 1smy n PRO 9 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1smy n VAL 10 N 2.30 4.68 -1.55 -1.45 0.31 -1.00 -4.91 118.33 116.71 1smy n VAL 10 Ca 0.20 -5.21 -0.20 0.00 -0.01 0.00 0.00 64.34 59.13 1smy n VAL 10 Cb 0.12 -2.38 -0.07 0.00 -0.91 0.00 0.00 33.84 30.60 1smy n VAL 10 CO 0.00 0.00 0.00 0.33 -1.32 0.00 0.00 176.83 175.84 1smy n PHE 11 N 3.18 1.16 -3.59 3.52 7.35 -1.26 -4.41 117.46 123.40 1smy n PHE 11 Ca 0.30 0.03 -0.23 0.00 -0.76 0.00 0.00 57.45 56.79 1smy n PHE 11 Cb 0.38 -2.51 -0.01 0.00 0.35 0.00 0.00 39.48 37.68 1smy n PHE 11 CO 0.00 0.00 0.00 -0.08 -0.76 0.00 0.00 176.76 175.92 1smy s THR 12 N 13.31 5.16 0.02 -2.13 -1.32 -0.70 -5.00 115.64 124.99 1smy s THR 12 Ca 0.97 -0.65 -0.02 0.00 -1.21 0.00 0.00 61.69 60.78 1smy s THR 12 Cb -0.20 -3.86 -0.02 0.00 -1.51 0.00 0.00 72.50 66.91 1smy s THR 12 CO 0.16 -0.47 0.02 -0.69 -2.21 0.00 0.00 174.62 171.43 1smy s VAL 13 N -2.19 0.12 -0.26 5.08 1.01 -1.26 -2.69 120.40 120.21 1smy s VAL 13 Ca 0.38 -0.99 -0.02 0.00 0.00 0.00 0.00 61.98 61.35 1smy s VAL 13 Cb -0.09 -0.51 0.12 0.00 0.00 0.00 0.00 36.38 35.90 1smy s VAL 13 CO 0.33 -0.55 0.29 -0.13 0.00 0.00 0.00 175.10 175.04 1smy s ARG 14 N -1.86 0.29 -0.03 2.72 0.52 -1.22 -5.04 118.95 114.33 1smy s ARG 14 Ca -0.12 0.05 0.02 0.00 -0.52 0.00 0.00 55.73 55.16 1smy s ARG 14 Cb -0.06 -0.79 0.01 0.00 0.52 0.00 0.00 34.95 34.62 1smy s ARG 14 CO -0.02 -0.87 -0.07 -0.08 0.02 0.00 0.00 175.30 174.28 1smy s THR 15 N 2.38 0.65 -0.26 0.02 -1.32 -1.26 -1.11 115.64 114.73 1smy s THR 15 Ca 0.09 -0.26 -0.07 0.00 -1.21 0.00 0.00 61.69 60.24 1smy s THR 15 Cb -0.15 -0.61 -0.01 0.00 -1.51 0.00 0.00 72.50 70.22 1smy s THR 15 CO -0.25 0.22 0.06 -1.58 -2.21 0.00 0.00 174.62 170.87 1smy s GLN 16 N 0.39 3.44 5.06 7.08 0.74 -1.17 -5.02 119.66 130.19 1smy s GLN 16 Ca -0.06 -0.62 0.00 0.00 0.05 0.00 0.00 55.36 54.74 1smy s GLN 16 Cb -0.10 -3.31 0.00 0.00 1.10 0.00 0.00 33.01 30.70 1smy s GLN 16 CO 0.00 -0.28 0.00 0.41 -0.55 0.00 0.00 175.29 174.88 1smy n GLY 17 N 4.90 2.00 0.23 2.59 0.00 -1.26 -3.59 105.19 110.05 1smy n GLY 17 Ca -0.16 -0.52 0.03 0.00 0.00 0.00 0.00 46.02 45.37 1smy n GLY 17 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1smy n ARG 18 N 8.85 -0.04 0.00 1.61 1.74 -1.26 -4.83 116.66 122.74 1smy n ARG 18 Ca 0.00 -0.89 0.00 0.00 -0.77 0.00 0.00 57.85 56.19 1smy n ARG 18 Cb 0.00 -1.11 0.00 0.00 -1.02 0.00 0.00 32.46 30.33 1smy n ARG 18 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1smy n GLU 19 N 0.30 0.00 -2.91 5.56 4.71 -1.25 -3.76 120.64 123.30 1smy n GLU 19 Ca 0.03 0.11 -0.36 0.00 -0.01 0.00 0.00 57.16 56.93 1smy n GLU 19 Cb 0.15 -0.52 -0.06 0.00 -1.01 0.00 0.00 31.44 30.00 1smy n GLU 19 CO 0.00 0.00 0.00 -0.47 0.09 0.00 0.00 177.13 176.75 1smy s TYR 20 N -0.74 3.59 -0.29 -0.32 6.04 -1.24 -1.06 117.35 123.33 1smy s TYR 20 Ca 0.00 1.59 -0.03 0.00 0.04 0.00 0.00 57.07 58.68 1smy s TYR 20 Cb 0.00 -2.79 0.17 0.00 -1.04 0.00 0.00 41.96 38.30 1smy s TYR 20 CO 0.00 0.19 0.58 0.20 -1.54 0.00 0.00 175.55 174.98 1smy s GLY 21 N -1.77 -0.89 0.38 8.97 0.00 0.41 -3.03 107.32 111.39 1smy s GLY 21 Ca 0.50 1.84 -0.06 0.00 0.00 0.00 0.00 44.72 47.00 1smy s GLY 21 CO 0.21 3.24 0.67 -0.54 0.00 0.00 0.00 173.10 176.68 1smy s GLU 22 N 2.83 3.62 -0.14 2.90 2.02 -0.27 -0.53 118.70 129.14 1smy s GLU 22 Ca 0.15 0.13 -0.05 0.00 0.02 0.00 0.00 54.97 55.22 1smy s GLU 22 Cb -0.14 -2.51 0.07 0.00 0.10 0.00 0.00 34.13 31.64 1smy s GLU 22 CO -0.20 0.03 0.29 -0.06 0.02 0.00 0.00 175.26 175.34 1smy s PHE 23 N -2.37 -0.49 0.13 1.61 0.08 -0.22 -3.41 117.98 113.31 1smy s PHE 23 Ca 0.46 1.07 0.09 0.00 0.12 0.00 0.00 56.93 58.67 1smy s PHE 23 Cb -0.10 0.02 -0.04 0.00 -0.57 0.00 0.00 43.02 42.33 1smy s PHE 23 CO 0.35 -0.38 -0.18 0.08 -0.10 0.00 0.00 175.22 175.00 1smy s VAL 24 N 2.44 2.85 -0.30 -0.44 1.01 -1.09 -1.09 120.40 123.78 1smy s VAL 24 Ca 0.01 -1.55 -0.07 0.00 0.00 0.00 0.00 61.98 60.37 1smy s VAL 24 Cb -0.12 -2.32 0.18 0.00 0.00 0.00 0.00 36.38 34.12 1smy s VAL 24 CO -0.09 0.07 0.80 -0.22 0.00 0.00 0.00 175.10 175.65 1smy s LEU 25 N -2.24 -0.97 0.20 3.92 0.20 -0.82 -1.72 118.68 117.25 1smy s LEU 25 Ca 0.19 0.70 -0.19 0.00 0.69 0.00 0.00 54.13 55.52 1smy s LEU 25 Cb -0.10 1.85 0.04 0.00 -0.43 0.00 0.00 46.19 47.55 1smy s LEU 25 CO 0.11 -0.18 0.57 -1.83 -0.29 0.00 0.00 176.35 174.72 1smy s GLU 26 N 2.86 1.42 0.89 1.98 1.03 -1.26 -3.22 118.70 122.40 1smy s GLU 26 Ca 0.09 -0.80 -0.13 0.00 0.03 0.00 0.00 54.97 54.17 1smy s GLU 26 Cb -0.12 0.55 0.13 0.00 -0.80 0.00 0.00 34.13 33.88 1smy s GLU 26 CO -0.17 -0.61 1.17 -2.14 -1.33 0.00 0.00 175.26 172.17 1smy s PRO 27 N -3.85 1.29 -0.08 -4.83 0.02 -1.26 -2.36 135.00 123.93 1smy s PRO 27 Ca 0.08 0.16 -0.11 0.00 0.02 0.00 0.00 61.00 61.14 1smy s PRO 27 Cb -0.02 -1.87 0.02 0.00 0.02 0.00 0.00 34.50 32.66 1smy s PRO 27 CO -0.04 -2.07 0.28 -0.51 -0.33 0.00 0.00 177.00 174.34 1smy s LEU 28 N -5.90 0.93 1.32 -5.54 1.43 -0.80 -4.54 118.68 105.59 1smy s LEU 28 Ca 0.64 0.40 -0.18 0.00 -1.03 0.00 0.00 54.13 53.96 1smy s LEU 28 Cb -0.12 1.04 0.34 0.00 0.03 0.00 0.00 46.19 47.48 1smy s LEU 28 CO 0.52 -0.21 0.94 -0.62 0.23 0.00 0.00 176.35 177.21 1smy n GLU 29 N 2.39 -3.62 -1.69 1.70 -0.58 -1.26 -1.58 120.64 116.00 1smy n GLU 29 Ca -0.16 -1.05 -0.55 0.00 -0.42 0.00 0.00 57.16 54.98 1smy n GLU 29 Cb 0.57 -2.05 -0.07 0.00 -0.57 0.00 0.00 31.44 29.32 1smy n GLU 29 CO 0.00 0.00 0.00 -2.13 -0.48 0.00 0.00 177.13 174.52 1smy n ARG 30 N -5.37 1.31 -3.13 3.49 3.00 -1.26 -2.52 116.66 112.18 1smy n ARG 30 Ca 0.07 0.48 -0.22 0.00 -0.00 0.00 0.00 57.85 58.18 1smy n ARG 30 Cb 0.57 -2.18 0.01 0.00 0.00 0.00 0.00 32.46 30.86 1smy n ARG 30 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1smy n GLY 31 N 3.93 -0.50 0.11 5.14 0.00 -1.26 -4.89 105.19 107.73 1smy n GLY 31 Ca 0.24 0.10 -0.15 0.00 0.00 0.00 0.00 46.02 46.21 1smy n GLY 31 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1smy n PHE 32 N -4.12 0.74 -0.33 1.61 3.01 -1.05 -3.54 117.46 113.78 1smy n PHE 32 Ca -0.07 0.20 0.23 0.00 1.01 0.00 0.00 57.45 58.82 1smy n PHE 32 Cb 0.58 -1.11 0.50 0.00 -0.01 0.00 0.00 39.48 39.43 1smy n PHE 32 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 1smy h GLY 33 N 2.45 1.35 0.56 1.37 0.00 -1.88 0.63 103.07 107.55 1smy h GLY 33 Ca -0.43 -0.22 -0.05 0.00 0.00 0.00 0.00 47.33 46.63 1smy h GLY 33 CO 0.04 -0.18 -0.18 -2.08 0.00 0.00 0.00 176.54 174.15 1smy h VAL 34 N 0.40 1.45 -0.03 4.60 2.07 -1.96 0.13 116.25 122.91 1smy h VAL 34 Ca 0.62 -1.60 0.01 0.00 0.82 0.00 0.00 66.70 66.55 1smy h VAL 34 Cb 1.53 2.37 -0.00 0.00 -1.52 0.00 0.00 31.29 33.67 1smy h VAL 34 CO -0.34 0.44 0.18 0.74 0.02 0.00 0.00 177.57 178.62 1smy h THR 35 N -0.33 0.07 0.00 2.57 2.02 0.04 -2.47 112.91 114.81 1smy h THR 35 Ca -0.01 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 67.08 1smy h THR 35 Cb 0.81 0.83 -0.01 0.00 -1.74 0.00 0.00 68.15 68.04 1smy h THR 35 CO 0.04 0.00 -1.30 0.18 0.37 0.00 0.00 175.52 174.81 1smy n LEU 36 N -3.10 1.93 -0.29 2.58 4.77 0.70 -4.43 117.00 119.17 1smy n LEU 36 Ca -0.02 0.33 0.09 0.00 -0.03 0.00 0.00 56.01 56.38 1smy n LEU 36 Cb 0.25 -0.75 0.25 0.00 -2.33 0.00 0.00 43.42 40.83 1smy n LEU 36 CO 0.18 -0.11 1.05 1.23 -1.33 0.00 0.00 177.39 178.42 1smy h GLY 37 N -0.98 1.36 0.70 -0.72 0.00 -0.70 -2.57 103.07 100.16 1smy h GLY 37 Ca -0.14 -0.18 -0.03 0.00 0.00 0.00 0.00 47.33 46.97 1smy h GLY 37 CO -0.09 -0.15 -0.34 -0.57 0.00 0.00 0.00 176.54 175.40 1smy h ASN 38 N 0.47 -0.79 -0.57 0.19 -0.00 -1.66 -0.34 115.58 112.88 1smy h ASN 38 Ca 0.49 0.03 0.10 0.00 -0.00 0.00 0.00 56.30 56.91 1smy h ASN 38 Cb 0.81 0.21 -0.08 0.00 -0.00 0.00 0.00 38.32 39.26 1smy h ASN 38 CO -0.45 -0.56 0.16 -0.65 -0.00 0.00 0.00 177.43 175.93 1smy h PRO 39 N -0.95 0.30 -0.69 6.67 0.11 -1.74 -0.03 132.00 135.67 1smy h PRO 39 Ca -0.10 -0.02 0.09 0.00 0.11 0.00 0.00 66.00 66.09 1smy h PRO 39 Cb 0.72 -0.07 -0.07 0.00 0.11 0.00 0.00 31.00 31.69 1smy h PRO 39 CO 0.16 0.20 0.34 -0.07 -0.21 0.00 0.00 178.00 178.41 1smy h LEU 40 N 0.31 0.43 -0.41 2.35 3.38 -1.45 0.37 115.31 120.29 1smy h LEU 40 Ca 0.29 0.06 0.02 0.00 0.09 0.00 0.00 57.88 58.34 1smy h LEU 40 Cb 0.39 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.10 1smy h LEU 40 CO -0.34 0.25 0.24 -0.09 0.09 0.00 0.00 178.44 178.59 1smy h ARG 41 N 0.58 0.47 -0.78 1.13 2.43 0.73 0.22 114.38 119.17 1smy h ARG 41 Ca 0.34 -0.03 0.07 0.00 -0.81 0.00 0.00 59.98 59.55 1smy h ARG 41 Cb 0.36 -0.11 -0.06 0.00 -0.42 0.00 0.00 29.97 29.74 1smy h ARG 41 CO -0.27 0.31 0.45 0.00 -1.51 0.00 0.00 179.97 178.95 1smy h ARG 42 N 0.48 0.78 0.57 0.20 3.08 0.24 -2.19 114.38 117.55 1smy h ARG 42 Ca 0.16 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 60.14 1smy h ARG 42 Cb 0.01 -0.18 0.01 0.00 0.08 0.00 0.00 29.97 29.89 1smy h ARG 42 CO -0.08 0.52 -0.27 0.82 -1.07 0.00 0.00 179.97 179.89 1smy h ILE 43 N 0.81 0.28 0.00 2.04 1.08 -0.36 -2.88 117.51 118.48 1smy h ILE 43 Ca 0.36 -0.35 0.00 0.00 -0.39 0.00 0.00 64.86 64.47 1smy h ILE 43 Cb 0.24 0.38 0.00 0.00 -3.07 0.00 0.00 36.82 34.38 1smy h ILE 43 CO -0.20 0.04 0.40 -0.07 -0.69 0.00 0.00 178.15 177.63 1smy h LEU 44 N -1.04 0.00 0.00 1.44 3.38 -0.28 0.18 115.31 119.00 1smy h LEU 44 Ca -0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1smy h LEU 44 Cb 0.65 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.40 1smy h LEU 44 CO 0.13 0.00 -1.00 0.18 0.09 0.00 0.00 178.44 177.83 1smy n LEU 45 N -2.55 0.62 0.00 1.67 4.77 -0.85 -4.56 117.00 116.10 1smy n LEU 45 Ca -0.01 -0.39 0.00 0.00 -0.03 0.00 0.00 56.01 55.58 1smy n LEU 45 Cb 0.43 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.52 1smy n LEU 45 CO 0.09 0.15 -0.31 -1.54 -1.33 0.00 0.00 177.39 174.45 1smy n SER 46 N -1.55 0.02 0.16 -1.43 3.41 0.18 -4.91 113.62 109.50 1smy n SER 46 Ca 0.02 0.01 -0.14 0.00 -0.26 0.00 0.00 58.87 58.50 1smy n SER 46 Cb 0.30 -0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.17 1smy n SER 46 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1smy h SER 47 N 0.00 -0.34 -1.92 4.04 0.02 -0.98 -3.41 113.55 110.96 1smy h SER 47 Ca 0.00 -0.14 -0.65 0.00 -0.84 0.00 0.00 61.79 60.15 1smy h SER 47 Cb 0.63 0.09 0.07 0.00 0.14 0.00 0.00 62.40 63.33 1smy h SER 47 CO 0.00 -0.04 0.32 -0.38 -1.14 0.00 0.00 176.83 175.59 1smy n ILE 48 N -5.16 0.71 -3.20 3.27 5.41 -1.24 -4.93 119.36 114.22 1smy n ILE 48 Ca -0.10 -0.18 -0.33 0.00 1.00 0.00 0.00 62.75 63.15 1smy n ILE 48 Cb 0.25 -0.87 -0.06 0.00 -0.71 0.00 0.00 39.64 38.25 1smy n ILE 48 CO 0.00 0.00 0.00 -2.84 0.00 0.00 0.00 176.55 173.71 1smy s PRO 49 N -0.20 3.99 0.00 0.38 0.02 -1.26 -4.19 135.00 133.74 1smy s PRO 49 Ca 0.75 0.60 0.00 0.00 0.02 0.00 0.00 61.00 62.37 1smy s PRO 49 Cb -0.86 -2.56 0.00 0.00 0.02 0.00 0.00 34.50 31.10 1smy s PRO 49 CO 0.51 0.24 0.00 0.41 -0.33 0.00 0.00 177.00 177.83 1smy n GLY 50 N -0.11 4.52 3.19 0.52 0.00 0.41 -4.40 105.19 109.32 1smy n GLY 50 Ca 0.02 -0.99 -0.13 0.00 0.00 0.00 0.00 46.02 44.92 1smy n GLY 50 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1smy s THR 51 N -0.55 0.05 -0.17 2.61 -4.23 -1.26 -1.60 115.64 110.49 1smy s THR 51 Ca 0.00 -0.40 -0.34 0.00 -1.18 0.00 0.00 61.69 59.77 1smy s THR 51 Cb 0.00 -0.52 0.14 0.00 1.34 0.00 0.00 72.50 73.46 1smy s THR 51 CO 0.00 -0.22 1.17 0.00 -0.54 0.00 0.00 174.62 175.03 1smy s ALA 52 N -0.94 -2.04 0.21 3.99 0.00 -1.11 -4.62 121.76 117.26 1smy s ALA 52 Ca -0.10 1.54 -0.32 0.00 0.00 0.00 0.00 51.96 53.08 1smy s ALA 52 Cb -0.05 -0.12 -0.14 0.00 0.00 0.00 0.00 23.12 22.81 1smy s ALA 52 CO 0.03 -0.59 1.30 0.28 0.00 0.00 0.00 175.76 176.78 1smy n VAL 53 N -0.06 0.96 0.00 0.00 0.31 -1.26 -3.20 118.33 115.08 1smy n VAL 53 Ca -0.01 -0.24 0.00 0.00 -0.01 0.00 0.00 64.34 64.08 1smy n VAL 53 Cb 0.59 -1.21 0.00 0.00 -0.91 0.00 0.00 33.84 32.31 1smy n VAL 53 CO 0.00 0.00 0.00 1.07 -1.32 0.00 0.00 176.83 176.58 1smy n THR 54 N 1.69 0.00 -3.60 2.52 5.66 -1.18 -4.44 114.28 114.93 1smy n THR 54 Ca 0.13 -0.19 -0.13 0.00 -3.05 0.00 0.00 64.05 60.81 1smy n THR 54 Cb 0.29 0.74 -0.06 0.00 -1.55 0.00 0.00 70.33 69.74 1smy n THR 54 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 1smy s SER 55 N -0.82 -0.58 0.06 1.09 0.15 -1.26 -2.85 113.70 109.49 1smy s SER 55 Ca 0.00 0.95 0.04 0.00 0.70 0.00 0.00 55.95 57.64 1smy s SER 55 Cb 0.00 0.91 -0.03 0.00 -1.71 0.00 0.00 66.02 65.19 1smy s SER 55 CO 0.00 -0.31 -0.11 -0.69 1.20 0.00 0.00 173.24 173.33 1smy s VAL 56 N -0.25 0.83 -0.05 4.45 1.01 -0.42 0.67 120.40 126.65 1smy s VAL 56 Ca -0.02 -1.21 -0.01 0.00 0.00 0.00 0.00 61.98 60.75 1smy s VAL 56 Cb -0.03 -0.86 0.03 0.00 0.00 0.00 0.00 36.38 35.52 1smy s VAL 56 CO 0.01 -0.31 0.01 -0.47 0.00 0.00 0.00 175.10 174.34 1smy s TYR 57 N -1.37 0.40 0.08 5.22 5.04 -0.24 0.08 117.35 126.56 1smy s TYR 57 Ca -0.06 -0.01 0.04 0.00 -2.44 0.00 0.00 57.07 54.60 1smy s TYR 57 Cb -0.10 -0.57 -0.04 0.00 0.35 0.00 0.00 41.96 41.61 1smy s TYR 57 CO 0.01 -0.21 0.02 0.42 -1.34 0.00 0.00 175.55 174.45 1smy s ILE 58 N 1.56 4.14 0.00 3.14 -1.09 -1.26 -1.66 121.20 126.03 1smy s ILE 58 Ca -0.02 -0.92 0.00 0.00 -2.23 0.00 0.00 60.65 57.48 1smy s ILE 58 Cb -0.13 -2.97 0.00 0.00 -1.58 0.00 0.00 42.46 37.78 1smy s ILE 58 CO -0.03 0.13 0.60 -1.84 -1.23 0.00 0.00 174.94 172.58 1smy n GLU 59 N 0.58 0.00 -0.27 2.79 0.28 0.19 -3.20 120.64 121.02 1smy n GLU 59 Ca -0.10 0.60 0.07 0.00 -0.16 0.00 0.00 57.16 57.57 1smy n GLU 59 Cb 0.52 -1.02 0.21 0.00 1.43 0.00 0.00 31.44 32.57 1smy n GLU 59 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1smy n ASP 60 N -1.73 3.34 -4.74 -1.84 8.00 -1.26 -4.99 116.55 113.33 1smy n ASP 60 Ca 0.00 -2.17 -0.38 0.00 0.71 0.00 0.00 54.79 52.95 1smy n ASP 60 Cb 0.00 -0.33 -0.06 0.00 -0.02 0.00 0.00 41.12 40.71 1smy n ASP 60 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1smy s VAL 61 N -1.30 5.12 -0.20 2.53 1.01 -1.19 -4.98 120.40 121.39 1smy s VAL 61 Ca 0.31 1.03 0.02 0.00 0.00 0.00 0.00 61.98 63.34 1smy s VAL 61 Cb 0.18 -3.84 -0.13 0.00 0.00 0.00 0.00 36.38 32.59 1smy s VAL 61 CO 0.18 0.36 -0.17 0.00 0.00 0.00 0.00 175.10 175.46 1smy n LEU 62 N 3.37 2.97 -4.40 3.92 -0.00 -1.26 -4.47 117.00 117.13 1smy n LEU 62 Ca -0.07 -0.10 -0.25 0.00 -0.00 0.00 0.00 56.01 55.59 1smy n LEU 62 Cb 0.52 -0.68 -0.11 0.00 -0.00 0.00 0.00 43.42 43.15 1smy n LEU 62 CO 0.43 0.83 -0.51 -1.38 -0.00 0.00 0.00 177.39 176.76 1smy s HIS 63 N -2.39 2.13 0.45 1.47 -3.43 -1.26 -4.72 115.29 107.54 1smy s HIS 63 Ca -0.26 -0.39 0.39 0.00 -0.80 0.00 0.00 55.06 54.00 1smy s HIS 63 Cb 0.07 -1.03 2.12 0.00 -1.43 0.00 0.00 32.58 32.30 1smy s HIS 63 CO 0.45 0.48 2.20 1.49 -2.00 0.00 0.00 174.74 177.36 1smy h GLU 64 N 3.05 0.00 -1.01 -0.38 4.81 -1.94 -2.94 114.58 116.18 1smy h GLU 64 Ca -0.44 0.00 -0.42 0.00 -0.13 0.00 0.00 59.36 58.37 1smy h GLU 64 Cb 1.22 0.00 -0.25 0.00 0.63 0.00 0.00 28.75 30.35 1smy h GLU 64 CO 0.51 0.00 0.54 1.19 -0.73 0.00 0.00 179.01 180.52 1smy n PHE 65 N -2.89 2.49 -3.29 0.92 3.01 -1.26 -3.44 117.46 113.00 1smy n PHE 65 Ca -0.02 -1.62 -0.20 0.00 1.01 0.00 0.00 57.45 56.61 1smy n PHE 65 Cb 0.07 -0.83 0.01 0.00 -0.01 0.00 0.00 39.48 38.73 1smy n PHE 65 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 1smy s SER 66 N -0.86 5.17 -0.04 4.37 0.01 -1.11 -5.00 113.70 116.24 1smy s SER 66 Ca 0.46 -0.77 0.04 0.00 1.31 0.00 0.00 55.95 56.99 1smy s SER 66 Cb 0.39 -0.16 -0.00 0.00 0.21 0.00 0.00 66.02 66.45 1smy s SER 66 CO 0.09 -0.97 -0.15 0.28 0.41 0.00 0.00 173.24 172.89 1smy s THR 67 N -2.55 1.24 -0.25 1.44 -1.32 -1.26 -2.43 115.64 110.50 1smy s THR 67 Ca 0.52 -0.61 -0.09 0.00 -1.21 0.00 0.00 61.69 60.30 1smy s THR 67 Cb -0.06 -1.07 -0.04 0.00 -1.51 0.00 0.00 72.50 69.82 1smy s THR 67 CO 0.32 0.36 0.14 -0.63 -2.21 0.00 0.00 174.62 172.60 1smy s ILE 68 N 0.06 4.98 0.71 5.08 1.01 -1.26 -5.01 121.20 126.77 1smy s ILE 68 Ca -0.03 0.05 -0.16 0.00 0.00 0.00 0.00 60.65 60.51 1smy s ILE 68 Cb -0.10 -3.34 -0.03 0.00 0.01 0.00 0.00 42.46 39.00 1smy s ILE 68 CO 0.02 0.32 0.66 -2.65 0.00 0.00 0.00 174.94 173.28 1smy n PRO 69 N 4.67 0.38 -0.24 2.79 -0.02 -1.26 -1.34 135.00 139.97 1smy n PRO 69 Ca -0.15 0.17 0.00 0.00 -2.02 0.00 0.00 63.50 61.50 1smy n PRO 69 Cb 0.52 -1.94 0.00 0.00 -0.02 0.00 0.00 33.50 32.06 1smy n PRO 69 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1smy n GLY 70 N 1.49 0.93 3.16 -1.23 0.00 -1.26 -4.58 105.19 103.70 1smy n GLY 70 Ca 0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 1smy n GLY 70 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1smy s VAL 71 N -1.95 3.16 0.10 1.61 1.01 -0.45 -1.32 120.40 122.57 1smy s VAL 71 Ca 0.00 -1.62 -0.35 0.00 0.00 0.00 0.00 61.98 60.01 1smy s VAL 71 Cb 0.00 -2.96 -0.15 0.00 0.00 0.00 0.00 36.38 33.27 1smy s VAL 71 CO 0.00 -0.34 1.56 0.50 0.00 0.00 0.00 175.10 176.82 1smy h LYS 72 N 8.03 -0.79 -6.58 2.72 3.64 -1.81 -3.42 116.57 118.36 1smy h LYS 72 Ca -0.18 0.05 -0.58 0.00 -1.27 0.00 0.00 60.65 58.68 1smy h LYS 72 Cb 1.06 0.18 0.17 0.00 -0.41 0.00 0.00 32.23 33.22 1smy h LYS 72 CO 0.60 -0.53 -0.26 0.39 -2.27 0.00 0.00 179.45 177.38 1smy n GLU 73 N -5.51 0.61 -3.98 1.90 -0.58 -1.26 -4.99 120.64 106.82 1smy n GLU 73 Ca -0.09 0.24 -0.26 0.00 -0.42 0.00 0.00 57.16 56.63 1smy n GLU 73 Cb 0.43 -1.81 -0.04 0.00 -0.57 0.00 0.00 31.44 29.45 1smy n GLU 73 CO 0.00 0.00 0.00 0.16 -0.48 0.00 0.00 177.13 176.81 1smy s ASP 74 N -1.18 6.13 0.31 1.62 1.47 -1.26 -4.59 116.67 119.17 1smy s ASP 74 Ca 0.70 0.08 0.07 0.00 1.18 0.00 0.00 52.55 54.59 1smy s ASP 74 Cb -0.44 -1.79 0.86 0.00 -0.34 0.00 0.00 42.92 41.21 1smy s ASP 74 CO 0.53 0.04 1.67 0.58 0.68 0.00 0.00 175.17 178.67 1smy h VAL 75 N 1.69 0.37 -0.21 2.11 2.07 -1.72 0.10 116.25 120.67 1smy h VAL 75 Ca -0.49 -0.11 -0.14 0.00 0.82 0.00 0.00 66.70 66.79 1smy h VAL 75 Cb 1.20 0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 1smy h VAL 75 CO 0.67 0.06 -0.44 0.58 0.02 0.00 0.00 177.57 178.46 1smy h VAL 76 N 0.33 1.31 0.00 2.57 2.07 -1.80 -0.48 116.25 120.25 1smy h VAL 76 Ca 0.62 -1.62 -0.08 0.00 0.82 0.00 0.00 66.70 66.44 1smy h VAL 76 Cb 1.30 1.62 -0.01 0.00 -1.52 0.00 0.00 31.29 32.68 1smy h VAL 76 CO -0.59 0.51 -0.38 -0.08 0.02 0.00 0.00 177.57 177.05 1smy h GLU 77 N 0.42 0.00 0.01 1.57 4.81 -1.24 -2.48 114.58 117.66 1smy h GLU 77 Ca 0.03 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.17 1smy h GLU 77 Cb 0.94 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.32 1smy h GLU 77 CO 0.08 0.38 -0.34 0.82 -0.73 0.00 0.00 179.01 179.22 1smy h ILE 78 N 0.00 1.53 0.00 2.32 2.04 -0.81 -2.57 117.51 120.02 1smy h ILE 78 Ca -0.00 -2.02 0.00 0.00 1.00 0.00 0.00 64.86 63.84 1smy h ILE 78 Cb 1.01 2.78 0.00 0.00 -0.74 0.00 0.00 36.82 39.87 1smy h ILE 78 CO 0.05 0.56 0.00 0.16 0.00 0.00 0.00 178.15 178.92 1smy h ILE 79 N -0.43 0.00 0.01 -0.67 3.07 -1.06 -1.02 117.51 117.40 1smy h ILE 79 Ca -0.04 -0.05 -0.03 0.00 1.55 0.00 0.00 64.86 66.29 1smy h ILE 79 Cb 1.10 0.89 0.00 0.00 -0.27 0.00 0.00 36.82 38.54 1smy h ILE 79 CO 0.07 0.00 -0.11 0.25 -1.05 0.00 0.00 178.15 177.31 1smy h LEU 80 N 0.00 0.09 -2.00 0.16 5.85 -1.35 -3.17 115.31 114.89 1smy h LEU 80 Ca 0.00 -0.84 -0.01 0.00 0.84 0.00 0.00 57.88 57.87 1smy h LEU 80 Cb 0.05 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.05 1smy h LEU 80 CO 0.00 0.92 -0.04 0.78 -0.34 0.00 0.00 178.44 179.76 1smy h ASN 81 N -0.74 0.00 -0.31 1.25 4.21 -0.80 -1.26 115.58 117.94 1smy h ASN 81 Ca -0.02 0.00 -0.06 0.00 1.21 0.00 0.00 56.30 57.43 1smy h ASN 81 Cb 0.94 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 38.12 1smy h ASN 81 CO 0.02 0.04 0.00 -0.07 -1.29 0.00 0.00 177.43 176.13 1smy h LEU 82 N 0.00 0.61 -2.25 1.61 3.38 -1.37 -0.83 115.31 116.47 1smy h LEU 82 Ca -0.00 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 1smy h LEU 82 Cb 0.08 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 1smy h LEU 82 CO 0.01 0.69 -0.04 0.11 0.09 0.00 0.00 178.44 179.29 1smy h LYS 83 N 0.62 0.00 -0.00 1.13 1.57 -1.20 -1.16 116.57 117.53 1smy h LYS 83 Ca 0.13 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.75 1smy h LYS 83 Cb 0.39 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.68 1smy h LYS 83 CO 0.01 0.04 -0.76 1.49 -0.57 0.00 0.00 179.45 179.67 1smy h GLU 84 N 0.00 0.03 -6.86 3.15 4.57 -1.15 -3.46 114.58 110.86 1smy h GLU 84 Ca -0.00 -0.03 -0.54 0.00 -1.18 0.00 0.00 59.36 57.61 1smy h GLU 84 Cb 0.10 0.01 0.10 0.00 -0.16 0.00 0.00 28.75 28.79 1smy h GLU 84 CO 0.01 0.77 0.79 -0.11 -1.18 0.00 0.00 179.01 179.29 1smy n LEU 85 N -3.66 4.48 -4.08 1.64 7.94 -0.44 -5.01 117.00 117.88 1smy n LEU 85 Ca -0.01 1.19 -0.31 0.00 -1.11 0.00 0.00 56.01 55.77 1smy n LEU 85 Cb 0.73 -1.59 -0.16 0.00 0.53 0.00 0.00 43.42 42.92 1smy n LEU 85 CO 0.44 0.09 -0.51 0.54 -1.11 0.00 0.00 177.39 176.84 1smy s VAL 86 N -0.65 1.74 0.50 1.96 0.11 -1.26 -4.73 120.40 118.07 1smy s VAL 86 Ca 0.58 -0.76 0.05 0.00 -2.93 0.00 0.00 61.98 58.92 1smy s VAL 86 Cb -0.50 -1.59 0.00 0.00 -1.53 0.00 0.00 36.38 32.76 1smy s VAL 86 CO 0.57 0.49 0.24 0.68 -3.33 0.00 0.00 175.10 173.75 1smy s VAL 87 N 1.21 1.71 -0.29 2.04 -7.23 -1.26 -2.54 120.40 114.04 1smy s VAL 87 Ca 0.00 -1.67 -0.01 0.00 -1.81 0.00 0.00 61.98 58.48 1smy s VAL 87 Cb -0.14 -2.38 0.18 0.00 0.56 0.00 0.00 36.38 34.60 1smy s VAL 87 CO -0.07 0.00 0.58 -0.60 -0.31 0.00 0.00 175.10 174.69 1smy s ARG 88 N -4.08 0.55 0.65 4.82 3.52 -0.82 -4.50 118.95 119.09 1smy s ARG 88 Ca 0.29 0.97 -0.05 0.00 -0.13 0.00 0.00 55.73 56.81 1smy s ARG 88 Cb 0.00 0.46 0.04 0.00 -1.56 0.00 0.00 34.95 33.89 1smy s ARG 88 CO 0.17 -0.61 0.94 -0.06 -0.81 0.00 0.00 175.30 174.93 1smy s PHE 89 N 2.83 2.98 -0.53 5.12 0.08 -1.26 -2.21 117.98 124.98 1smy s PHE 89 Ca 0.19 0.39 0.05 0.00 0.12 0.00 0.00 56.93 57.69 1smy s PHE 89 Cb -0.15 -3.00 0.01 0.00 -0.57 0.00 0.00 43.02 39.31 1smy s PHE 89 CO -0.20 -1.17 0.51 1.28 -0.10 0.00 0.00 175.22 175.54 1smy n LEU 90 N -2.73 1.04 -3.52 -0.37 4.77 -1.12 -4.98 117.00 110.08 1smy n LEU 90 Ca 0.07 -0.83 -0.18 0.00 -0.03 0.00 0.00 56.01 55.04 1smy n LEU 90 Cb 0.60 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.63 1smy n LEU 90 CO 0.51 0.22 0.43 0.54 -1.33 0.00 0.00 177.39 177.76 1smy s ASN 91 N -0.80 -0.65 0.30 -1.43 2.20 -1.26 -5.05 114.94 108.26 1smy s ASN 91 Ca 0.05 0.69 0.13 0.00 -0.94 0.00 0.00 52.86 52.79 1smy s ASN 91 Cb 0.04 0.54 1.00 0.00 -2.00 0.00 0.00 41.25 40.83 1smy s ASN 91 CO 0.11 -0.61 1.36 -2.65 -2.94 0.00 0.00 177.10 172.37 1smy n PRO 92 N 0.89 -0.06 0.26 3.55 -0.02 -1.26 -0.90 135.00 137.47 1smy n PRO 92 Ca -0.19 1.23 0.09 0.00 -2.02 0.00 0.00 63.50 62.61 1smy n PRO 92 Cb 0.57 -2.12 0.35 0.00 -0.02 0.00 0.00 33.50 32.28 1smy n PRO 92 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 1smy h SER 93 N 0.00 0.00 -3.61 2.55 0.02 -2.04 -3.24 113.55 107.23 1smy h SER 93 Ca 0.67 0.00 -0.76 0.00 -0.84 0.00 0.00 61.79 60.85 1smy h SER 93 Cb 1.67 0.00 -0.27 0.00 0.14 0.00 0.00 62.40 63.94 1smy h SER 93 CO -0.71 0.00 -0.09 -0.76 -1.14 0.00 0.00 176.83 174.13 1smy s LEU 94 N -5.52 6.33 -0.21 5.07 1.02 -0.08 -4.82 118.68 120.46 1smy s LEU 94 Ca -0.02 -2.39 -0.15 0.00 0.02 0.00 0.00 54.13 51.60 1smy s LEU 94 Cb 0.05 -2.15 -0.18 0.00 0.02 0.00 0.00 46.19 43.93 1smy s LEU 94 CO 0.17 -0.64 0.06 0.00 0.02 0.00 0.00 176.35 175.96 1smy n GLN 95 N 4.36 0.61 -3.74 1.70 3.00 -1.23 -4.78 117.38 117.31 1smy n GLN 95 Ca 0.03 0.41 -0.26 0.00 -0.01 0.00 0.00 57.00 57.17 1smy n GLN 95 Cb 0.43 -1.66 -0.17 0.00 0.00 0.00 0.00 30.24 28.85 1smy n GLN 95 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.06 176.98 1smy s THR 96 N -2.45 0.44 -0.12 5.09 -1.32 -1.26 -2.26 115.64 113.77 1smy s THR 96 Ca -0.31 -0.35 0.01 0.00 -1.21 0.00 0.00 61.69 59.83 1smy s THR 96 Cb 0.09 -0.87 -0.01 0.00 -1.51 0.00 0.00 72.50 70.19 1smy s THR 96 CO 0.60 -0.09 -0.15 -0.69 -2.21 0.00 0.00 174.62 172.08 1smy s VAL 97 N 1.91 2.91 -0.48 5.08 1.01 0.33 -4.93 120.40 126.23 1smy s VAL 97 Ca 0.01 -0.72 -0.12 0.00 0.00 0.00 0.00 61.98 61.15 1smy s VAL 97 Cb -0.16 -2.20 0.11 0.00 0.00 0.00 0.00 36.38 34.13 1smy s VAL 97 CO -0.07 0.54 0.38 -0.89 0.00 0.00 0.00 175.10 175.05 1smy s THR 98 N 0.23 4.59 0.09 3.92 2.01 -1.26 -0.73 115.64 124.49 1smy s THR 98 Ca -0.10 -1.56 -0.30 0.00 0.31 0.00 0.00 61.69 60.04 1smy s THR 98 Cb -0.16 -3.93 -0.06 0.00 0.01 0.00 0.00 72.50 68.36 1smy s THR 98 CO 0.06 -0.73 1.16 -0.76 -0.69 0.00 0.00 174.62 173.66 1smy s LEU 99 N 1.47 4.40 0.04 4.42 1.02 -0.86 -4.86 118.68 124.31 1smy s LEU 99 Ca 0.04 2.03 -0.00 0.00 0.02 0.00 0.00 54.13 56.22 1smy s LEU 99 Cb -0.26 -3.59 -0.04 0.00 0.02 0.00 0.00 46.19 42.32 1smy s LEU 99 CO 0.02 -0.39 0.16 -0.76 0.02 0.00 0.00 176.35 175.40 1smy s LEU 100 N 0.64 4.20 -0.20 1.79 1.43 -1.26 -2.04 118.68 123.23 1smy s LEU 100 Ca 0.56 0.22 -0.18 0.00 -1.03 0.00 0.00 54.13 53.69 1smy s LEU 100 Cb -0.29 -2.71 0.05 0.00 0.03 0.00 0.00 46.19 43.27 1smy s LEU 100 CO 0.31 0.20 0.54 -0.22 0.23 0.00 0.00 176.35 177.41 1smy s LEU 101 N -2.27 -0.10 -0.25 1.79 0.20 -0.68 -2.11 118.68 115.25 1smy s LEU 101 Ca 0.31 1.10 -0.02 0.00 0.69 0.00 0.00 54.13 56.20 1smy s LEU 101 Cb -0.13 1.85 0.14 0.00 -0.43 0.00 0.00 46.19 47.63 1smy s LEU 101 CO 0.23 -0.19 0.41 -0.75 -0.29 0.00 0.00 176.35 175.76 1smy s LYS 102 N 0.38 0.38 0.04 1.98 2.20 -1.26 -0.07 119.74 123.40 1smy s LYS 102 Ca -0.01 0.59 0.04 0.00 -0.36 0.00 0.00 55.97 56.23 1smy s LYS 102 Cb -0.04 -0.34 -0.02 0.00 -1.51 0.00 0.00 37.83 35.92 1smy s LYS 102 CO -0.01 -0.65 -0.11 0.00 -0.36 0.00 0.00 175.35 174.23 1smy s ALA 103 N 2.59 0.88 0.27 3.13 0.00 -0.61 -4.99 121.76 123.04 1smy s ALA 103 Ca 0.14 -0.76 0.02 0.00 0.00 0.00 0.00 51.96 51.36 1smy s ALA 103 Cb -0.15 -0.08 -0.04 0.00 0.00 0.00 0.00 23.12 22.84 1smy s ALA 103 CO -0.17 0.12 0.15 -1.21 0.00 0.00 0.00 175.76 174.65 1smy s GLU 104 N -1.26 1.48 0.40 0.00 2.02 -1.26 -2.44 118.70 117.65 1smy s GLU 104 Ca -0.03 -1.83 0.00 0.00 0.02 0.00 0.00 54.97 53.14 1smy s GLU 104 Cb -0.08 -0.03 0.00 0.00 0.10 0.00 0.00 34.13 34.12 1smy s GLU 104 CO 0.01 -0.42 0.00 0.41 0.02 0.00 0.00 175.26 175.28 1smy n GLY 105 N -0.49 -2.53 3.53 -1.39 0.00 -1.16 -4.58 105.19 98.57 1smy n GLY 105 Ca 0.01 -1.17 -0.33 0.00 0.00 0.00 0.00 46.02 44.53 1smy n GLY 105 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1smy n PRO 106 N -4.00 0.56 -3.59 1.61 -0.02 -1.06 -4.47 135.00 124.04 1smy n PRO 106 Ca -0.03 -0.12 -0.16 0.00 -2.02 0.00 0.00 63.50 61.17 1smy n PRO 106 Cb 0.56 -2.65 -0.07 0.00 -0.02 0.00 0.00 33.50 31.32 1smy n PRO 106 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1smy s LYS 107 N 8.49 0.93 -1.06 -0.52 2.20 -0.78 -4.98 119.74 124.02 1smy s LYS 107 Ca 1.12 0.34 -0.11 0.00 -0.36 0.00 0.00 55.97 56.96 1smy s LYS 107 Cb -0.57 0.44 0.25 0.00 -1.51 0.00 0.00 37.83 36.44 1smy s LYS 107 CO 0.34 -0.25 1.08 -1.21 -0.36 0.00 0.00 175.35 174.94 1smy s GLU 108 N -0.86 4.05 -0.40 4.03 2.02 -1.26 -1.13 118.70 125.15 1smy s GLU 108 Ca -0.09 -2.95 -0.32 0.00 0.02 0.00 0.00 54.97 51.64 1smy s GLU 108 Cb -0.02 -4.60 -0.10 0.00 0.10 0.00 0.00 34.13 29.51 1smy s GLU 108 CO 0.07 -1.33 2.28 0.28 0.02 0.00 0.00 175.26 176.59 1smy n VAL 109 N 3.27 0.15 -3.34 2.63 0.31 -1.03 -4.91 118.33 115.41 1smy n VAL 109 Ca 0.23 -0.38 -0.22 0.00 -0.01 0.00 0.00 64.34 63.96 1smy n VAL 109 Cb 0.42 -1.95 0.04 0.00 -0.91 0.00 0.00 33.84 31.43 1smy n VAL 109 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1smy s LYS 110 N 6.86 2.27 0.48 5.55 1.02 -1.26 -2.51 119.74 132.15 1smy s LYS 110 Ca 1.08 -1.80 0.31 0.00 0.02 0.00 0.00 55.97 55.58 1smy s LYS 110 Cb -0.66 -2.45 1.28 0.00 -0.52 0.00 0.00 37.83 35.48 1smy s LYS 110 CO 0.42 -0.81 1.92 0.00 -0.92 0.00 0.00 175.35 175.96 1smy h ALA 111 N 0.35 1.00 0.00 5.17 0.00 0.04 -2.44 119.26 123.39 1smy h ALA 111 Ca -0.32 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1smy h ALA 111 Cb 1.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1smy h ALA 111 CO 0.46 0.00 0.00 2.89 0.00 0.00 0.00 179.25 182.60 1smy n ARG 112 N -2.88 0.05 0.00 0.00 1.85 -0.08 -2.76 116.66 112.84 1smy n ARG 112 Ca 0.01 0.26 0.14 0.00 -1.00 0.00 0.00 57.85 57.26 1smy n ARG 112 Cb 0.29 -1.59 0.74 0.00 -1.05 0.00 0.00 32.46 30.85 1smy n ARG 112 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 1smy n ASP 113 N -1.69 0.00 -4.75 2.89 8.00 -0.92 -4.83 116.55 115.25 1smy n ASP 113 Ca 0.04 -0.15 -0.41 0.00 0.71 0.00 0.00 54.79 54.98 1smy n ASP 113 Cb 0.21 -0.28 -0.04 0.00 -0.02 0.00 0.00 41.12 41.00 1smy n ASP 113 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1smy s PHE 114 N -2.55 3.48 0.20 1.24 0.40 -1.11 -4.72 117.98 114.92 1smy s PHE 114 Ca 0.28 1.58 -0.31 0.00 -0.60 0.00 0.00 56.93 57.88 1smy s PHE 114 Cb 0.20 -3.37 -0.11 0.00 0.51 0.00 0.00 43.02 40.25 1smy s PHE 114 CO 0.44 -0.88 1.63 -0.48 0.70 0.00 0.00 175.22 176.63 1smy s LEU 115 N -1.06 4.37 0.53 -0.37 0.05 -0.90 -4.91 118.68 116.39 1smy s LEU 115 Ca 0.48 2.76 -0.21 0.00 0.05 0.00 0.00 54.13 57.21 1smy s LEU 115 Cb -0.33 -3.60 -0.07 0.00 -2.05 0.00 0.00 46.19 40.14 1smy s LEU 115 CO 0.41 -0.89 1.08 -2.65 -0.55 0.00 0.00 176.35 173.75 1smy n PRO 116 N 3.68 1.27 -4.27 1.48 -0.02 -1.26 -4.67 135.00 131.21 1smy n PRO 116 Ca 0.14 0.47 -0.24 0.00 -2.02 0.00 0.00 63.50 61.84 1smy n PRO 116 Cb 0.37 -2.24 -0.17 0.00 -0.02 0.00 0.00 33.50 31.45 1smy n PRO 116 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1smy s VAL 117 N -1.38 0.96 0.00 -1.45 1.01 -1.26 -5.07 120.40 113.20 1smy s VAL 117 Ca 0.70 -0.33 0.00 0.00 0.00 0.00 0.00 61.98 62.35 1smy s VAL 117 Cb -0.46 -0.93 0.00 0.00 0.00 0.00 0.00 36.38 34.99 1smy s VAL 117 CO 0.51 0.33 0.01 0.00 0.00 0.00 0.00 175.10 175.95 1smy n ALA 118 N 4.25 0.00 1.35 5.51 0.00 -1.26 -0.43 120.51 129.93 1smy n ALA 118 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.25 1smy n ALA 118 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 1smy n ALA 118 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1smy n ASP 119 N -0.11 0.35 -4.32 0.00 9.92 -1.26 -4.80 116.55 116.33 1smy n ASP 119 Ca 0.00 -1.70 -0.30 0.00 -0.53 0.00 0.00 54.79 52.26 1smy n ASP 119 Cb 0.00 -0.17 -0.15 0.00 -0.64 0.00 0.00 41.12 40.15 1smy n ASP 119 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1smy s VAL 120 N -1.59 2.05 0.08 2.53 1.01 0.42 -2.78 120.40 122.12 1smy s VAL 120 Ca 0.00 -1.21 0.07 0.00 0.00 0.00 0.00 61.98 60.84 1smy s VAL 120 Cb 0.00 -1.72 -0.03 0.00 0.00 0.00 0.00 36.38 34.62 1smy s VAL 120 CO 0.00 0.48 -0.19 -0.70 0.00 0.00 0.00 175.10 174.69 1smy s GLU 121 N -0.87 1.09 -0.30 2.72 2.12 -0.94 -4.45 118.70 118.06 1smy s GLU 121 Ca 0.10 -1.04 -0.01 0.00 0.36 0.00 0.00 54.97 54.38 1smy s GLU 121 Cb -0.10 -1.26 0.06 0.00 0.26 0.00 0.00 34.13 33.09 1smy s GLU 121 CO 0.00 0.30 0.00 0.42 -0.54 0.00 0.00 175.26 175.45 1smy s ILE 122 N -1.08 2.91 -0.83 -3.70 1.01 -1.26 -1.94 121.20 116.30 1smy s ILE 122 Ca 0.04 -1.49 0.24 0.00 0.00 0.00 0.00 60.65 59.45 1smy s ILE 122 Cb -0.10 -2.71 0.22 0.00 0.01 0.00 0.00 42.46 39.89 1smy s ILE 122 CO 0.03 -0.15 1.73 0.23 0.00 0.00 0.00 174.94 176.78 1smy n MET 123 N 4.59 0.10 -2.37 2.79 2.81 -1.05 -3.87 117.12 120.12 1smy n MET 123 Ca -0.12 0.20 -0.30 0.00 -1.81 0.00 0.00 57.70 55.66 1smy n MET 123 Cb 0.43 -1.65 0.01 0.00 -0.71 0.00 0.00 33.22 31.30 1smy n MET 123 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 1smy n ASN 124 N -1.83 5.45 0.10 7.83 2.85 -1.24 -4.91 115.26 123.51 1smy n ASN 124 Ca 0.05 -3.75 -0.16 0.00 -0.11 0.00 0.00 54.58 50.61 1smy n ASN 124 Cb 0.30 -0.63 -0.10 0.00 1.24 0.00 0.00 39.78 40.59 1smy n ASN 124 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1smy h PRO 125 N 2.74 -0.69 0.00 1.20 0.11 -1.89 -2.32 132.00 131.15 1smy h PRO 125 Ca 0.36 0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.52 1smy h PRO 125 Cb 0.66 0.16 0.00 0.00 0.11 0.00 0.00 31.00 31.93 1smy h PRO 125 CO 1.00 -0.46 0.00 -0.25 -0.21 0.00 0.00 178.00 178.08 1smy n ASP 126 N -5.35 0.00 -4.68 -2.05 9.92 -1.26 -0.91 116.55 112.22 1smy n ASP 126 Ca -0.08 -0.65 -0.45 0.00 -0.53 0.00 0.00 54.79 53.08 1smy n ASP 126 Cb 0.39 0.00 -0.04 0.00 -0.64 0.00 0.00 41.12 40.84 1smy n ASP 126 CO 0.00 0.00 0.00 -0.11 0.13 0.00 0.00 177.20 177.22 1smy n LEU 127 N -0.91 3.36 -4.74 0.64 7.94 -0.87 -4.72 117.00 117.71 1smy n LEU 127 Ca 0.11 1.07 -0.41 0.00 -1.11 0.00 0.00 56.01 55.67 1smy n LEU 127 Cb 0.05 -1.47 -0.05 0.00 0.53 0.00 0.00 43.42 42.48 1smy n LEU 127 CO 0.08 -0.15 0.65 -2.28 -1.11 0.00 0.00 177.39 174.58 1smy s HIS 128 N 1.10 3.87 0.00 1.96 5.65 -1.26 -1.52 115.29 125.08 1smy s HIS 128 Ca 0.78 1.82 0.00 0.00 0.25 0.00 0.00 55.06 57.91 1smy s HIS 128 Cb -0.63 -3.01 0.00 0.00 -1.18 0.00 0.00 32.58 27.76 1smy s HIS 128 CO 0.37 0.30 0.00 -0.89 -0.65 0.00 0.00 174.74 173.86 1smy n ILE 129 N 2.35 0.00 -3.61 0.89 2.08 -1.04 -4.90 119.36 115.12 1smy n ILE 129 Ca 0.00 0.00 -0.02 0.00 0.56 0.00 0.00 62.75 63.30 1smy n ILE 129 Cb 0.49 -0.66 -0.02 0.00 -0.75 0.00 0.00 39.64 38.70 1smy n ILE 129 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1smy s ALA 130 N -1.81 -2.19 -0.33 -1.39 0.00 -1.20 -4.79 121.76 110.06 1smy s ALA 130 Ca 0.00 1.56 0.04 0.00 0.00 0.00 0.00 51.96 53.55 1smy s ALA 130 Cb 0.00 -0.14 0.10 0.00 0.00 0.00 0.00 23.12 23.07 1smy s ALA 130 CO 0.00 -0.68 0.04 0.95 0.00 0.00 0.00 175.76 176.07 1smy s THR 131 N -2.22 2.16 0.13 0.00 -4.23 -1.26 -2.46 115.64 107.75 1smy s THR 131 Ca 0.11 -2.20 -0.22 0.00 -1.18 0.00 0.00 61.69 58.21 1smy s THR 131 Cb 0.01 -2.57 -0.07 0.00 1.34 0.00 0.00 72.50 71.20 1smy s THR 131 CO -0.04 -0.54 0.67 -0.76 -0.54 0.00 0.00 174.62 173.41 1smy s LEU 132 N 0.97 4.54 0.00 4.79 1.02 -0.28 -3.58 118.68 126.14 1smy s LEU 132 Ca 0.09 1.44 0.00 0.00 0.02 0.00 0.00 54.13 55.67 1smy s LEU 132 Cb -0.19 -3.14 0.00 0.00 0.02 0.00 0.00 46.19 42.88 1smy s LEU 132 CO -0.09 0.22 0.00 -1.84 0.02 0.00 0.00 176.35 174.66 1smy n GLU 133 N 1.55 3.71 -2.16 1.70 0.28 -0.43 -1.87 120.64 123.42 1smy n GLU 133 Ca -0.08 0.00 -0.41 0.00 -0.16 0.00 0.00 57.16 56.51 1smy n GLU 133 Cb 0.50 0.00 -0.03 0.00 1.43 0.00 0.00 31.44 33.34 1smy n GLU 133 CO 0.00 0.00 0.00 -1.21 -0.16 0.00 0.00 177.13 175.76 1smy s GLU 134 N 2.81 4.36 -1.35 3.44 0.41 -1.26 -2.56 118.70 124.55 1smy s GLU 134 Ca 0.00 2.13 -0.03 0.00 -0.41 0.00 0.00 54.97 56.66 1smy s GLU 134 Cb 0.00 -3.16 0.00 0.00 -1.78 0.00 0.00 34.13 29.19 1smy s GLU 134 CO 0.00 -0.28 0.39 0.41 -0.49 0.00 0.00 175.26 175.29 1smy n GLY 135 N 2.17 -0.33 3.44 -1.39 0.00 -1.26 -4.78 105.19 103.05 1smy n GLY 135 Ca 0.06 -0.05 -0.44 0.00 0.00 0.00 0.00 46.02 45.59 1smy n GLY 135 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1smy s GLY 136 N -2.63 1.87 -0.09 -0.02 0.00 -1.16 -4.79 107.32 100.49 1smy s GLY 136 Ca 0.20 -1.75 -0.18 0.00 0.00 0.00 0.00 44.72 42.99 1smy s GLY 136 CO 0.24 1.30 0.49 0.50 0.00 0.00 0.00 173.10 175.62 1smy s ARG 137 N 2.28 4.29 -0.34 2.90 1.81 -1.26 -2.98 118.95 125.64 1smy s ARG 137 Ca 0.12 0.48 0.02 0.00 -1.72 0.00 0.00 55.73 54.64 1smy s ARG 137 Cb -0.20 -3.40 0.15 0.00 -0.45 0.00 0.00 34.95 31.06 1smy s ARG 137 CO 0.11 0.24 0.38 -1.17 -0.68 0.00 0.00 175.30 174.18 1smy s LEU 138 N 0.35 -0.31 -0.22 2.53 2.96 -1.02 -4.95 118.68 118.01 1smy s LEU 138 Ca 0.26 -1.14 -0.01 0.00 -0.22 0.00 0.00 54.13 53.02 1smy s LEU 138 Cb -0.16 0.73 0.02 0.00 0.50 0.00 0.00 46.19 47.28 1smy s LEU 138 CO 0.12 -0.30 -0.11 0.21 -1.32 0.00 0.00 176.35 174.95 1smy s ASN 139 N 1.85 3.88 0.19 3.68 3.84 -1.26 -1.57 114.94 125.55 1smy s ASN 139 Ca 0.14 -0.70 -0.05 0.00 0.21 0.00 0.00 52.86 52.45 1smy s ASN 139 Cb -0.14 -1.61 -0.02 0.00 -0.55 0.00 0.00 41.25 38.93 1smy s ASN 139 CO -0.15 -0.06 0.22 0.00 -2.79 0.00 0.00 177.10 174.33 1smy s MET 140 N 1.34 1.20 -0.13 0.43 0.23 0.90 -0.64 119.30 122.63 1smy s MET 140 Ca 0.03 -1.40 -0.03 0.00 -1.03 0.00 0.00 55.69 53.26 1smy s MET 140 Cb -0.15 0.33 0.05 0.00 -1.53 0.00 0.00 34.83 33.53 1smy s MET 140 CO -0.07 -0.42 0.03 -1.21 -2.03 0.00 0.00 175.02 171.32 1smy s GLU 141 N -4.06 0.51 -0.25 3.16 2.02 -0.66 -1.69 118.70 117.72 1smy s GLU 141 Ca 0.27 -0.12 -0.04 0.00 0.02 0.00 0.00 54.97 55.11 1smy s GLU 141 Cb 0.05 -1.54 0.01 0.00 0.10 0.00 0.00 34.13 32.75 1smy s GLU 141 CO 0.06 -0.50 -0.02 0.14 0.02 0.00 0.00 175.26 174.97 1smy s VAL 142 N 1.96 3.32 0.75 2.63 -7.23 -0.87 -1.08 120.40 119.88 1smy s VAL 142 Ca 0.02 -0.75 -0.13 0.00 -1.81 0.00 0.00 61.98 59.31 1smy s VAL 142 Cb -0.15 -2.63 0.05 0.00 0.56 0.00 0.00 36.38 34.21 1smy s VAL 142 CO -0.07 0.25 1.13 -0.60 -0.31 0.00 0.00 175.10 175.50 1smy s ARG 143 N 1.42 2.23 -0.13 4.82 6.06 0.21 -2.03 118.95 131.53 1smy s ARG 143 Ca 0.03 1.41 -0.06 0.00 -2.50 0.00 0.00 55.73 54.61 1smy s ARG 143 Cb -0.16 -1.88 0.05 0.00 0.06 0.00 0.00 34.95 33.03 1smy s ARG 143 CO -0.02 -1.70 0.31 0.08 -2.50 0.00 0.00 175.30 171.46 1smy s VAL 144 N -2.50 -0.11 0.27 7.11 1.01 0.09 -3.08 120.40 123.19 1smy s VAL 144 Ca 0.66 0.15 0.04 0.00 0.00 0.00 0.00 61.98 62.83 1smy s VAL 144 Cb -0.21 -0.47 -0.06 0.00 0.00 0.00 0.00 36.38 35.64 1smy s VAL 144 CO 0.49 0.06 0.02 -1.81 0.00 0.00 0.00 175.10 173.87 1smy s ASP 145 N 1.51 1.99 -0.29 3.32 1.11 -1.19 -0.51 116.67 122.60 1smy s ASP 145 Ca -0.08 -1.29 -0.08 0.00 0.18 0.00 0.00 52.55 51.28 1smy s ASP 145 Cb -0.10 -0.01 -0.01 0.00 1.07 0.00 0.00 42.92 43.87 1smy s ASP 145 CO -0.10 -0.56 0.11 -0.60 1.18 0.00 0.00 175.17 175.21 1smy s ARG 146 N -3.88 3.36 0.00 8.23 3.00 -0.96 -2.74 118.95 125.96 1smy s ARG 146 Ca 0.32 -0.69 0.00 0.00 -1.00 0.00 0.00 55.73 54.36 1smy s ARG 146 Cb 0.07 -3.46 0.00 0.00 0.00 0.00 0.00 34.95 31.56 1smy s ARG 146 CO 0.12 -0.36 0.00 0.41 0.00 0.00 0.00 175.30 175.46 1smy n GLY 147 N 4.94 4.55 2.93 8.12 0.00 -0.63 -4.95 105.19 120.14 1smy n GLY 147 Ca -0.15 -1.28 -0.13 0.00 0.00 0.00 0.00 46.02 44.47 1smy n GLY 147 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1smy s VAL 148 N -1.56 -0.02 0.00 1.61 -7.23 -1.26 -0.45 120.40 111.49 1smy s VAL 148 Ca 0.00 0.09 0.00 0.00 -1.81 0.00 0.00 61.98 60.26 1smy s VAL 148 Cb 0.00 -0.17 0.00 0.00 0.56 0.00 0.00 36.38 36.77 1smy s VAL 148 CO 0.00 0.04 0.00 0.61 -0.31 0.00 0.00 175.10 175.44 1smy n GLY 149 N 3.56 -0.34 3.49 2.32 0.00 -1.26 -4.83 105.19 108.13 1smy n GLY 149 Ca -0.19 -1.06 -0.34 0.00 0.00 0.00 0.00 46.02 44.44 1smy n GLY 149 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1smy s TYR 150 N 0.00 2.99 -0.24 1.61 5.04 -1.26 -0.08 117.35 125.40 1smy s TYR 150 Ca 0.00 -0.30 -0.01 0.00 -2.44 0.00 0.00 57.07 54.32 1smy s TYR 150 Cb 0.00 -1.92 0.07 0.00 0.35 0.00 0.00 41.96 40.46 1smy s TYR 150 CO 0.00 -0.01 0.01 0.08 -1.34 0.00 0.00 175.55 174.28 1smy s VAL 151 N 0.22 1.13 0.35 3.14 1.01 -0.03 -4.99 120.40 121.23 1smy s VAL 151 Ca -0.03 -1.10 -0.29 0.00 0.00 0.00 0.00 61.98 60.56 1smy s VAL 151 Cb -0.14 -1.58 -0.11 0.00 0.00 0.00 0.00 36.38 34.55 1smy s VAL 151 CO 0.03 -0.27 1.50 -2.65 0.00 0.00 0.00 175.10 173.71 1smy n PRO 152 N 4.80 2.61 0.31 2.72 -0.02 -1.26 -0.05 135.00 144.11 1smy n PRO 152 Ca -0.08 0.92 0.16 0.00 -2.02 0.00 0.00 63.50 62.47 1smy n PRO 152 Cb 0.45 -2.65 0.79 0.00 -0.02 0.00 0.00 33.50 32.07 1smy n PRO 152 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1smy h ALA 153 N 3.47 1.44 -0.02 3.55 0.00 -1.88 0.88 119.26 126.70 1smy h ALA 153 Ca -0.49 -0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.20 1smy h ALA 153 Cb 1.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1smy h ALA 153 CO 0.68 -0.39 -0.90 0.93 0.00 0.00 0.00 179.25 179.58 1smy h GLU 154 N 0.00 0.40 0.07 0.00 3.07 -1.92 -2.62 114.58 113.58 1smy h GLU 154 Ca 0.02 -0.41 -0.00 0.00 -0.50 0.00 0.00 59.36 58.47 1smy h GLU 154 Cb 0.74 0.11 0.00 0.00 -0.84 0.00 0.00 28.75 28.77 1smy h GLU 154 CO -0.00 1.07 -0.03 -0.22 -1.40 0.00 0.00 179.01 178.43 1smy h LYS 155 N 0.23 -0.08 0.00 2.33 3.64 0.46 -3.37 116.57 119.78 1smy h LYS 155 Ca -0.07 0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.26 1smy h LYS 155 Cb 1.52 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 33.35 1smy h LYS 155 CO 0.15 0.24 -0.42 1.12 -2.27 0.00 0.00 179.45 178.28 1smy h HIS 156 N -0.42 0.00 -5.24 1.91 2.07 -1.65 -3.50 115.15 108.33 1smy h HIS 156 Ca -0.01 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.51 1smy h HIS 156 Cb 0.36 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.34 1smy h HIS 156 CO 0.03 0.75 -0.02 0.41 -3.07 0.00 0.00 177.93 176.03 1smy n GLY 157 N 1.60 -1.19 3.76 6.13 0.00 -0.99 -4.96 105.19 109.54 1smy n GLY 157 Ca -0.13 0.47 -0.35 0.00 0.00 0.00 0.00 46.02 46.01 1smy n GLY 157 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1smy s ILE 158 N -2.98 2.92 -0.48 -0.61 -1.09 -1.26 -5.03 121.20 112.68 1smy s ILE 158 Ca 0.01 0.53 0.06 0.00 -2.23 0.00 0.00 60.65 59.02 1smy s ILE 158 Cb -0.00 -3.15 0.22 0.00 -1.58 0.00 0.00 42.46 37.95 1smy s ILE 158 CO 0.71 -0.17 0.52 0.29 -1.23 0.00 0.00 174.94 175.07 1smy n LYS 159 N -1.77 1.08 0.00 2.79 5.02 -1.26 -4.73 118.16 119.28 1smy n LYS 159 Ca 0.12 -3.63 0.00 0.00 -2.02 0.00 0.00 58.31 52.78 1smy n LYS 159 Cb 0.51 -1.63 0.00 0.00 -0.02 0.00 0.00 35.03 33.88 1smy n LYS 159 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1smy n ASP 160 N 1.67 0.00 -4.47 4.39 9.92 -1.26 -4.89 116.55 121.91 1smy n ASP 160 Ca 0.25 0.52 -0.33 0.00 -0.53 0.00 0.00 54.79 54.69 1smy n ASP 160 Cb 0.48 -0.49 -0.13 0.00 -0.64 0.00 0.00 41.12 40.33 1smy n ASP 160 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 1smy s ARG 161 N -1.08 2.87 0.55 -1.24 0.52 -1.26 -5.02 118.95 114.29 1smy s ARG 161 Ca 0.00 -0.65 0.33 0.00 -0.52 0.00 0.00 55.73 54.89 1smy s ARG 161 Cb 0.00 -2.53 1.48 0.00 0.52 0.00 0.00 34.95 34.43 1smy s ARG 161 CO 0.00 0.50 1.84 -0.84 0.02 0.00 0.00 175.30 176.82 1smy h ILE 162 N 4.66 0.44 -0.00 1.52 3.07 -1.98 0.37 117.51 125.58 1smy h ILE 162 Ca -0.40 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.01 1smy h ILE 162 Cb 1.18 0.49 0.00 0.00 -0.27 0.00 0.00 36.82 38.22 1smy h ILE 162 CO 0.53 0.00 -0.37 0.59 -1.05 0.00 0.00 178.15 177.85 1smy n ASN 163 N -4.08 0.86 -4.54 2.16 5.03 -1.26 -4.94 115.26 108.49 1smy n ASN 163 Ca 0.19 -0.68 -0.29 0.00 0.87 0.00 0.00 54.58 54.67 1smy n ASN 163 Cb 1.03 0.21 0.23 0.00 -1.02 0.00 0.00 39.78 40.22 1smy n ASN 163 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1smy s ALA 164 N -2.69 0.06 -0.03 5.41 0.00 0.13 -4.61 121.76 120.02 1smy s ALA 164 Ca 0.19 0.09 0.01 0.00 0.00 0.00 0.00 51.96 52.26 1smy s ALA 164 Cb 0.18 -3.31 0.02 0.00 0.00 0.00 0.00 23.12 20.01 1smy s ALA 164 CO 0.59 -3.56 -0.04 0.96 0.00 0.00 0.00 175.76 173.71 1smy s ILE 165 N -2.51 0.49 0.29 0.00 -4.36 0.11 -4.97 121.20 110.25 1smy s ILE 165 Ca 0.68 -0.13 -0.29 0.00 -0.26 0.00 0.00 60.65 60.65 1smy s ILE 165 Cb -0.24 -0.50 -0.09 0.00 1.25 0.00 0.00 42.46 42.87 1smy s ILE 165 CO 0.63 0.20 1.04 -2.84 0.24 0.00 0.00 174.94 174.20 1smy s PRO 166 N 0.69 4.63 0.15 0.37 0.02 -1.26 -1.30 135.00 138.30 1smy s PRO 166 Ca -0.09 1.64 0.11 0.00 0.02 0.00 0.00 61.00 62.68 1smy s PRO 166 Cb -0.12 -3.09 -0.04 0.00 0.02 0.00 0.00 34.50 31.27 1smy s PRO 166 CO -0.00 0.25 -0.23 0.14 -0.33 0.00 0.00 177.00 176.83 1smy s VAL 167 N -1.27 2.45 0.18 3.83 -7.23 -1.13 -4.83 120.40 112.40 1smy s VAL 167 Ca 0.46 -1.81 -0.31 0.00 -1.81 0.00 0.00 61.98 58.50 1smy s VAL 167 Cb -0.28 -2.14 -0.10 0.00 0.56 0.00 0.00 36.38 34.42 1smy s VAL 167 CO 0.35 0.00 1.57 -1.81 -0.31 0.00 0.00 175.10 174.91 1smy s ASP 168 N -2.35 6.57 -0.28 4.85 1.01 -1.26 -4.18 116.67 121.03 1smy s ASP 168 Ca 0.18 2.65 -0.19 0.00 0.71 0.00 0.00 52.55 55.90 1smy s ASP 168 Cb -0.09 -2.60 -0.02 0.00 1.01 0.00 0.00 42.92 41.22 1smy s ASP 168 CO 0.09 -0.83 0.56 0.00 0.21 0.00 0.00 175.17 175.20 1smy s ALA 169 N 1.02 3.56 -0.35 5.23 0.00 0.93 -4.87 121.76 127.28 1smy s ALA 169 Ca 0.69 -0.65 -0.04 0.00 0.00 0.00 0.00 51.96 51.97 1smy s ALA 169 Cb -0.44 -2.98 0.07 0.00 0.00 0.00 0.00 23.12 19.76 1smy s ALA 169 CO 0.33 -0.90 0.10 0.08 0.00 0.00 0.00 175.76 175.36 1smy s VAL 170 N 2.43 3.33 0.00 0.00 1.01 -1.26 -0.85 120.40 125.06 1smy s VAL 170 Ca 0.23 -1.54 0.00 0.00 0.00 0.00 0.00 61.98 60.67 1smy s VAL 170 Cb -0.15 -3.03 0.00 0.00 0.00 0.00 0.00 36.38 33.20 1smy s VAL 170 CO 0.10 -0.33 0.00 0.49 0.00 0.00 0.00 175.10 175.37 1smy n PHE 171 N 4.67 0.00 0.00 5.22 3.72 0.88 -4.60 117.46 127.35 1smy n PHE 171 Ca -0.09 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.31 1smy n PHE 171 Cb 0.43 -0.04 0.00 0.00 -0.94 0.00 0.00 39.48 38.93 1smy n PHE 171 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1smy n SER 172 N -2.30 0.00 0.20 4.37 2.88 -1.26 -4.31 113.62 113.20 1smy n SER 172 Ca 0.00 0.00 0.14 0.00 -1.33 0.00 0.00 58.87 57.68 1smy n SER 172 Cb 0.00 0.00 0.68 0.00 -0.75 0.00 0.00 64.21 64.14 1smy n SER 172 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 1smy h PRO 173 N 0.00 0.00 -6.47 -1.46 0.11 -1.77 -3.42 132.00 118.99 1smy h PRO 173 Ca 0.00 0.00 -0.53 0.00 0.11 0.00 0.00 66.00 65.58 1smy h PRO 173 Cb 0.00 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.09 1smy h PRO 173 CO 0.00 0.00 0.40 0.08 -0.21 0.00 0.00 178.00 178.27 1smy s VAL 174 N -3.60 4.61 -0.10 3.15 1.01 -1.26 -0.41 120.40 123.80 1smy s VAL 174 Ca -0.01 1.96 -0.11 0.00 0.00 0.00 0.00 61.98 63.82 1smy s VAL 174 Cb 0.09 -4.25 -0.28 0.00 0.00 0.00 0.00 36.38 31.94 1smy s VAL 174 CO 0.33 0.20 0.50 0.03 0.00 0.00 0.00 175.10 176.16 1smy h ARG 175 N 6.41 0.29 -1.50 2.72 2.47 -1.21 -3.47 114.38 120.09 1smy h ARG 175 Ca -0.42 -0.50 0.09 0.00 -1.26 0.00 0.00 59.98 57.89 1smy h ARG 175 Cb 1.22 0.19 -0.27 0.00 -1.65 0.00 0.00 29.97 29.46 1smy h ARG 175 CO 0.75 1.24 0.55 -0.98 0.56 0.00 0.00 179.97 182.08 1smy s ARG 176 N -2.54 0.45 0.17 0.04 1.70 -1.25 -5.01 118.95 112.52 1smy s ARG 176 Ca -0.20 0.42 0.07 0.00 -0.47 0.00 0.00 55.73 55.55 1smy s ARG 176 Cb 0.06 0.22 -0.04 0.00 -0.57 0.00 0.00 34.95 34.61 1smy s ARG 176 CO 0.79 -0.08 0.04 0.08 -1.08 0.00 0.00 175.30 175.05 1smy s VAL 177 N -0.09 3.96 -0.29 4.99 1.01 -1.26 -2.40 120.40 126.31 1smy s VAL 177 Ca 0.03 -1.31 -0.15 0.00 0.00 0.00 0.00 61.98 60.55 1smy s VAL 177 Cb -0.04 -3.00 0.13 0.00 0.00 0.00 0.00 36.38 33.47 1smy s VAL 177 CO -0.06 -0.10 0.84 0.00 0.00 0.00 0.00 175.10 175.78 1smy s ALA 178 N -1.73 -2.23 0.00 5.51 0.00 -1.03 -5.00 121.76 117.29 1smy s ALA 178 Ca 0.28 2.26 0.05 0.00 0.00 0.00 0.00 51.96 54.55 1smy s ALA 178 Cb -0.10 -1.73 -0.01 0.00 0.00 0.00 0.00 23.12 21.28 1smy s ALA 178 CO 0.20 -0.61 -0.14 -0.59 0.00 0.00 0.00 175.76 174.61 1smy s PHE 179 N 1.99 1.28 0.07 0.00 -0.12 -1.26 -0.14 117.98 119.80 1smy s PHE 179 Ca -0.07 -0.27 0.10 0.00 -0.05 0.00 0.00 56.93 56.63 1smy s PHE 179 Cb -0.06 -0.80 -0.03 0.00 -0.63 0.00 0.00 43.02 41.49 1smy s PHE 179 CO -0.18 -0.00 -0.26 -0.65 -0.05 0.00 0.00 175.22 174.08 1smy s GLN 180 N -0.58 1.69 -0.63 1.99 -0.21 -1.04 -4.98 119.66 115.90 1smy s GLN 180 Ca 0.05 -1.18 0.05 0.00 0.02 0.00 0.00 55.36 54.29 1smy s GLN 180 Cb -0.06 -1.97 0.17 0.00 1.00 0.00 0.00 33.01 32.15 1smy s GLN 180 CO 0.00 0.49 0.44 0.08 -2.12 0.00 0.00 175.29 174.19 1smy s VAL 181 N -0.90 2.32 -0.03 1.09 1.01 -1.26 -2.27 120.40 120.36 1smy s VAL 181 Ca 0.13 -3.85 -0.17 0.00 0.00 0.00 0.00 61.98 58.09 1smy s VAL 181 Cb -0.10 -2.54 -0.05 0.00 0.00 0.00 0.00 36.38 33.69 1smy s VAL 181 CO 0.04 -1.04 0.46 -1.83 0.00 0.00 0.00 175.10 172.73 1smy s GLU 182 N -1.04 4.13 0.67 2.72 -1.05 -1.21 -4.76 118.70 118.16 1smy s GLU 182 Ca 0.26 0.48 -0.17 0.00 -0.15 0.00 0.00 54.97 55.39 1smy s GLU 182 Cb -0.05 -3.30 -0.02 0.00 -0.44 0.00 0.00 34.13 30.33 1smy s GLU 182 CO -0.16 0.49 1.03 -0.25 0.95 0.00 0.00 175.26 177.32 1smy n ASP 183 N 2.48 0.88 -3.79 0.83 8.00 -1.26 -2.64 116.55 121.05 1smy n ASP 183 Ca -0.11 0.74 -0.14 0.00 0.71 0.00 0.00 54.79 55.99 1smy n ASP 183 Cb 0.52 -1.43 -0.15 0.00 -0.02 0.00 0.00 41.12 40.04 1smy n ASP 183 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1smy s THR 184 N -1.63 -0.05 -0.20 -3.53 -1.32 -0.47 -4.85 115.64 103.60 1smy s THR 184 Ca 0.76 0.17 -0.18 0.00 -1.21 0.00 0.00 61.69 61.23 1smy s THR 184 Cb -0.38 -0.09 -0.03 0.00 -1.51 0.00 0.00 72.50 70.49 1smy s THR 184 CO 0.47 0.07 0.49 0.00 -2.21 0.00 0.00 174.62 173.44 1smy s ARG 185 N 0.86 4.18 -0.29 7.08 1.04 -1.26 -3.87 118.95 126.69 1smy s ARG 185 Ca -0.07 0.36 -0.02 0.00 -1.04 0.00 0.00 55.73 54.96 1smy s ARG 185 Cb -0.10 -3.56 0.09 0.00 -2.04 0.00 0.00 34.95 29.35 1smy s ARG 185 CO -0.03 -0.13 0.10 -0.51 -0.04 0.00 0.00 175.30 174.70 1smy s LEU 186 N 1.58 1.42 0.00 -1.89 1.02 -1.22 -5.04 118.68 114.55 1smy s LEU 186 Ca 0.23 -1.39 0.00 0.00 0.02 0.00 0.00 54.13 52.98 1smy s LEU 186 Cb -0.15 -0.62 0.00 0.00 0.02 0.00 0.00 46.19 45.44 1smy s LEU 186 CO 0.09 -0.41 0.00 0.61 0.02 0.00 0.00 176.35 176.66 1smy n GLY 187 N 5.04 0.14 0.00 -3.19 0.00 -1.26 -3.71 105.19 102.21 1smy n GLY 187 Ca -0.04 0.24 0.00 0.00 0.00 0.00 0.00 46.02 46.22 1smy n GLY 187 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1smy n GLN 188 N 0.00 0.00 -2.70 1.61 7.27 -1.26 -4.96 117.38 117.34 1smy n GLN 188 Ca 0.00 0.00 -0.27 0.00 0.07 0.00 0.00 57.00 56.80 1smy n GLN 188 Cb 0.00 -0.19 0.00 0.00 2.41 0.00 0.00 30.24 32.46 1smy n GLN 188 CO 0.00 0.00 0.00 0.50 0.07 0.00 0.00 177.06 177.63 1smy s ARG 189 N 0.00 3.49 -0.23 3.69 3.52 -1.24 -5.04 118.95 123.14 1smy s ARG 189 Ca 0.00 0.12 0.06 0.00 -0.13 0.00 0.00 55.73 55.79 1smy s ARG 189 Cb 0.00 -2.40 -0.18 0.00 -1.56 0.00 0.00 34.95 30.81 1smy s ARG 189 CO 0.00 -0.20 -0.13 2.41 -0.81 0.00 0.00 175.30 176.57 1smy n THR 190 N -2.23 1.38 -1.65 4.11 -1.04 -1.26 -3.39 114.28 110.20 1smy n THR 190 Ca 0.00 -0.62 -0.17 0.00 -2.04 0.00 0.00 64.05 61.22 1smy n THR 190 Cb 0.55 -1.11 -0.06 0.00 -1.82 0.00 0.00 70.33 67.89 1smy n THR 190 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1smy s ASP 191 N -6.07 4.13 -0.05 8.00 -1.08 -1.26 -4.23 116.67 116.09 1smy s ASP 191 Ca -0.26 -0.02 -0.02 0.00 -0.52 0.00 0.00 52.55 51.73 1smy s ASP 191 Cb 0.08 -2.55 0.03 0.00 -1.46 0.00 0.00 42.92 39.02 1smy s ASP 191 CO 0.63 -3.64 0.06 -0.76 0.52 0.00 0.00 175.17 171.99 1smy s LEU 192 N 13.87 0.16 0.12 -1.34 1.43 -1.25 -4.61 118.68 127.06 1smy s LEU 192 Ca 0.89 0.02 -0.31 0.00 -1.03 0.00 0.00 54.13 53.70 1smy s LEU 192 Cb -0.12 -0.14 -0.07 0.00 0.03 0.00 0.00 46.19 45.88 1smy s LEU 192 CO 0.08 -0.26 1.28 -1.81 0.23 0.00 0.00 176.35 175.86 1smy s ASP 193 N 2.17 6.97 -0.58 2.29 1.11 -0.61 -1.36 116.67 126.65 1smy s ASP 193 Ca 0.05 2.22 0.04 0.00 0.18 0.00 0.00 52.55 55.04 1smy s ASP 193 Cb -0.12 -2.59 0.15 0.00 1.07 0.00 0.00 42.92 41.43 1smy s ASP 193 CO -0.04 -0.52 0.38 -0.75 1.18 0.00 0.00 175.17 175.42 1smy s LYS 194 N 0.64 1.99 0.41 8.23 2.20 -1.08 -1.91 119.74 130.22 1smy s LYS 194 Ca 0.59 -2.82 -0.25 0.00 -0.36 0.00 0.00 55.97 53.14 1smy s LYS 194 Cb -0.34 -3.02 -0.08 0.00 -1.51 0.00 0.00 37.83 32.89 1smy s LYS 194 CO 0.32 -1.23 1.21 -1.17 -0.36 0.00 0.00 175.35 174.12 1smy s LEU 195 N -0.71 4.16 -0.29 5.43 2.96 -1.20 -3.32 118.68 125.72 1smy s LEU 195 Ca 0.22 2.43 0.01 0.00 -0.22 0.00 0.00 54.13 56.58 1smy s LEU 195 Cb -0.13 -4.03 0.19 0.00 0.50 0.00 0.00 46.19 42.73 1smy s LEU 195 CO -0.10 -0.78 0.67 0.28 -1.32 0.00 0.00 176.35 175.10 1smy s THR 196 N -1.39 -0.88 -0.04 3.68 -1.32 -0.96 -1.94 115.64 112.80 1smy s THR 196 Ca 0.58 0.00 -0.02 0.00 -1.21 0.00 0.00 61.69 61.05 1smy s THR 196 Cb -0.33 -0.92 -0.04 0.00 -1.51 0.00 0.00 72.50 69.71 1smy s THR 196 CO 0.41 0.00 0.07 -1.48 -2.21 0.00 0.00 174.62 171.41 1smy s LEU 197 N 2.86 3.90 -0.20 9.08 2.34 -0.25 -2.51 118.68 133.90 1smy s LEU 197 Ca 0.14 0.19 -0.06 0.00 0.06 0.00 0.00 54.13 54.46 1smy s LEU 197 Cb -0.10 -2.15 -0.03 0.00 -0.56 0.00 0.00 46.19 43.34 1smy s LEU 197 CO -0.23 0.31 0.03 0.00 -1.06 0.00 0.00 176.35 175.40 1smy s ARG 198 N -1.47 3.73 -0.06 1.48 1.70 0.80 -1.06 118.95 124.07 1smy s ARG 198 Ca 0.20 -0.46 0.05 0.00 -0.47 0.00 0.00 55.73 55.04 1smy s ARG 198 Cb -0.12 -3.16 -0.02 0.00 -0.57 0.00 0.00 34.95 31.08 1smy s ARG 198 CO 0.10 0.06 -0.20 0.42 -1.08 0.00 0.00 175.30 174.60 1smy s ILE 199 N 0.92 2.54 -0.00 4.99 1.01 0.31 -2.46 121.20 128.51 1smy s ILE 199 Ca 0.02 -0.90 0.05 0.00 0.00 0.00 0.00 60.65 59.82 1smy s ILE 199 Cb -0.14 -1.97 -0.03 0.00 0.01 0.00 0.00 42.46 40.33 1smy s ILE 199 CO 0.02 0.57 -0.14 0.26 0.00 0.00 0.00 174.94 175.66 1smy s TRP 200 N -0.34 2.70 -0.07 3.97 0.51 -1.01 -0.45 118.94 124.25 1smy s TRP 200 Ca 0.02 -0.16 -0.09 0.00 -2.12 0.00 0.00 56.10 53.75 1smy s TRP 200 Cb -0.12 -1.56 0.02 0.00 -0.81 0.00 0.00 33.47 30.99 1smy s TRP 200 CO 0.02 0.26 0.23 0.95 -0.51 0.00 0.00 176.95 177.90 1smy s THR 201 N -0.87 0.02 0.23 2.01 -4.23 -0.23 -0.76 115.64 111.80 1smy s THR 201 Ca 0.14 -0.15 0.30 0.00 -1.18 0.00 0.00 61.69 60.80 1smy s THR 201 Cb -0.11 -0.38 0.30 0.00 1.34 0.00 0.00 72.50 73.66 1smy s THR 201 CO 0.04 -0.08 1.92 -2.24 -0.54 0.00 0.00 174.62 173.71 1smy h ASP 202 N 5.36 0.00 0.00 3.99 -0.00 -1.03 -3.37 116.42 121.37 1smy h ASP 202 Ca -0.27 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 56.76 1smy h ASP 202 Cb 1.19 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.52 1smy h ASP 202 CO 0.37 0.00 0.00 0.61 -0.00 0.00 0.00 179.24 180.22 1smy n GLY 203 N -1.21 3.05 0.42 7.15 0.00 -1.26 -4.96 105.19 108.38 1smy n GLY 203 Ca -0.02 -1.09 -0.11 0.00 0.00 0.00 0.00 46.02 44.80 1smy n GLY 203 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1smy h SER 204 N 2.00 -2.07 -4.60 1.61 0.87 -1.88 -3.41 113.55 106.07 1smy h SER 204 Ca 0.00 0.31 -0.27 0.00 -1.23 0.00 0.00 61.79 60.60 1smy h SER 204 Cb 0.00 0.91 -0.02 0.00 -0.44 0.00 0.00 62.40 62.85 1smy h SER 204 CO 0.00 -0.27 -0.13 1.33 -0.53 0.00 0.00 176.83 177.24 1smy n VAL 205 N -5.29 0.00 -4.41 2.23 0.24 -1.26 -4.95 118.33 104.89 1smy n VAL 205 Ca 0.01 -1.01 -0.22 0.00 -2.04 0.00 0.00 64.34 61.08 1smy n VAL 205 Cb 0.28 -0.29 -0.10 0.00 -1.47 0.00 0.00 33.84 32.26 1smy n VAL 205 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 1smy s THR 206 N -1.26 2.15 0.09 3.34 -1.32 -1.26 -4.76 115.64 112.61 1smy s THR 206 Ca 0.15 -2.26 -0.25 0.00 -1.21 0.00 0.00 61.69 58.11 1smy s THR 206 Cb -0.01 -2.15 -0.10 0.00 -1.51 0.00 0.00 72.50 68.73 1smy s THR 206 CO 0.09 -0.44 1.41 -0.65 -2.21 0.00 0.00 174.62 172.82 1smy h PRO 207 N 2.54 -0.41 -0.71 7.08 0.11 -1.78 0.61 132.00 139.43 1smy h PRO 207 Ca -0.40 0.03 0.13 0.00 0.11 0.00 0.00 66.00 65.87 1smy h PRO 207 Cb 1.24 0.09 -0.13 0.00 0.11 0.00 0.00 31.00 32.31 1smy h PRO 207 CO 0.59 -0.27 -0.28 1.25 -0.21 0.00 0.00 178.00 179.07 1smy h LEU 208 N -0.43 -1.01 0.29 2.35 5.85 -1.94 -0.09 115.31 120.34 1smy h LEU 208 Ca 0.02 0.24 0.00 0.00 0.84 0.00 0.00 57.88 58.98 1smy h LEU 208 Cb 0.50 0.56 -0.04 0.00 0.37 0.00 0.00 40.66 42.05 1smy h LEU 208 CO -0.33 -0.28 -0.50 -0.33 -0.34 0.00 0.00 178.44 176.66 1smy h GLU 209 N -0.08 -0.83 -0.70 1.25 5.08 -1.80 -1.40 114.58 116.11 1smy h GLU 209 Ca 0.30 0.06 0.12 0.00 -1.00 0.00 0.00 59.36 58.84 1smy h GLU 209 Cb 0.56 0.19 -0.13 0.00 0.50 0.00 0.00 28.75 29.87 1smy h GLU 209 CO -0.76 -0.55 -0.32 0.00 -1.00 0.00 0.00 179.01 176.38 1smy h ALA 210 N -0.63 0.10 -0.30 3.43 0.00 0.45 0.68 119.26 122.99 1smy h ALA 210 Ca -0.03 0.21 0.05 0.00 0.00 0.00 0.00 54.91 55.14 1smy h ALA 210 Cb 0.80 0.79 -0.04 0.00 0.00 0.00 0.00 17.79 19.34 1smy h ALA 210 CO -0.18 -0.62 0.04 1.25 0.00 0.00 0.00 179.25 179.74 1smy h LEU 211 N -0.10 -0.03 -0.16 0.00 5.85 -0.76 0.19 115.31 120.29 1smy h LEU 211 Ca 0.28 0.05 0.04 0.00 0.84 0.00 0.00 57.88 59.10 1smy h LEU 211 Cb 0.56 0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.63 1smy h LEU 211 CO -0.76 0.02 -0.11 0.78 -0.34 0.00 0.00 178.44 178.03 1smy h ASN 212 N 0.14 -0.35 -0.22 1.25 -0.26 0.11 -0.87 115.58 115.37 1smy h ASN 212 Ca 0.14 0.08 0.05 0.00 -0.56 0.00 0.00 56.30 56.00 1smy h ASN 212 Cb 0.16 0.19 -0.05 0.00 -1.06 0.00 0.00 38.32 37.56 1smy h ASN 212 CO -0.20 -0.15 -0.07 1.56 -1.06 0.00 0.00 177.43 177.51 1smy h GLN 213 N -0.11 -0.03 -0.03 0.81 4.20 -0.39 -2.24 115.11 117.31 1smy h GLN 213 Ca 0.10 0.00 0.01 0.00 0.06 0.00 0.00 58.65 58.82 1smy h GLN 213 Cb 0.26 0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.01 1smy h GLN 213 CO -0.23 -0.02 -0.30 0.00 -0.67 0.00 0.00 178.83 177.61 1smy h ALA 214 N 1.18 -0.72 -0.94 3.87 0.00 0.01 -1.08 119.26 121.59 1smy h ALA 214 Ca 0.11 -0.04 0.23 0.00 0.00 0.00 0.00 54.91 55.21 1smy h ALA 214 Cb 0.20 0.78 -0.06 0.00 0.00 0.00 0.00 17.79 18.71 1smy h ALA 214 CO -0.24 -0.82 0.63 -0.39 0.00 0.00 0.00 179.25 178.43 1smy h VAL 215 N -0.35 0.61 -0.08 0.00 -1.51 -1.07 -0.50 116.25 113.35 1smy h VAL 215 Ca 0.01 -0.10 -0.02 0.00 -1.23 0.00 0.00 66.70 65.36 1smy h VAL 215 Cb 0.39 0.29 -0.00 0.00 -2.13 0.00 0.00 31.29 29.84 1smy h VAL 215 CO -0.22 0.05 -0.03 -0.08 -1.23 0.00 0.00 177.57 176.07 1smy h GLU 216 N 0.29 0.15 -0.99 5.19 4.22 -0.71 -0.99 114.58 121.74 1smy h GLU 216 Ca 0.49 -0.06 0.22 0.00 0.08 0.00 0.00 59.36 60.08 1smy h GLU 216 Cb 1.41 -0.01 -0.12 0.00 0.50 0.00 0.00 28.75 30.53 1smy h GLU 216 CO -0.15 0.51 0.58 0.82 -2.18 0.00 0.00 179.01 178.59 1smy h ILE 217 N -0.21 0.60 0.48 2.32 2.04 0.12 0.37 117.51 123.23 1smy h ILE 217 Ca 0.02 -0.22 -0.02 0.00 1.00 0.00 0.00 64.86 65.64 1smy h ILE 217 Cb 0.46 -0.09 0.00 0.00 -0.74 0.00 0.00 36.82 36.45 1smy h ILE 217 CO 0.01 0.12 -0.23 0.25 0.00 0.00 0.00 178.15 178.30 1smy h LEU 218 N 0.64 -0.54 -0.39 1.44 5.85 -1.24 -1.51 115.31 119.56 1smy h LEU 218 Ca 0.61 -0.08 0.07 0.00 0.84 0.00 0.00 57.88 59.32 1smy h LEU 218 Cb 1.08 0.14 -0.09 0.00 0.37 0.00 0.00 40.66 42.16 1smy h LEU 218 CO -0.44 -0.16 -0.39 -0.09 -0.34 0.00 0.00 178.44 177.01 1smy h ARG 219 N -0.98 -0.30 -0.89 1.25 2.43 0.26 0.44 114.38 116.58 1smy h ARG 219 Ca -0.07 0.02 0.15 0.00 -0.81 0.00 0.00 59.98 59.27 1smy h ARG 219 Cb 0.59 0.07 -0.09 0.00 -0.42 0.00 0.00 29.97 30.11 1smy h ARG 219 CO 0.11 -0.20 0.49 1.49 -1.51 0.00 0.00 179.97 180.35 1smy h GLU 220 N -0.31 0.69 -0.59 0.20 4.81 -0.39 0.91 114.58 119.89 1smy h GLU 220 Ca 0.15 -0.04 -0.08 0.00 -0.13 0.00 0.00 59.36 59.26 1smy h GLU 220 Cb 0.57 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.78 1smy h GLU 220 CO -0.55 0.45 0.07 0.45 -0.73 0.00 0.00 179.01 178.70 1smy h HIS 221 N 0.71 1.07 0.00 0.92 3.86 0.61 -2.30 115.15 120.02 1smy h HIS 221 Ca 0.48 -0.16 0.00 0.00 -1.16 0.00 0.00 60.37 59.53 1smy h HIS 221 Cb 0.65 -0.29 0.00 0.00 1.06 0.00 0.00 27.41 28.83 1smy h HIS 221 CO -0.06 0.93 0.13 -0.07 0.86 0.00 0.00 177.93 179.72 1smy h LEU 222 N 0.89 0.00 -0.20 2.43 -0.00 0.22 -1.23 115.31 117.42 1smy h LEU 222 Ca 0.17 0.00 -0.13 0.00 -0.00 0.00 0.00 57.88 57.92 1smy h LEU 222 Cb 0.46 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.11 1smy h LEU 222 CO 0.02 0.00 -0.62 0.74 -0.00 0.00 0.00 178.44 178.58 1smy h THR 223 N 0.00 1.12 0.00 0.22 2.02 -1.17 -3.25 112.91 111.85 1smy h THR 223 Ca 0.00 -2.42 0.00 0.00 0.77 0.00 0.00 66.41 64.76 1smy h THR 223 Cb 0.26 2.44 0.00 0.00 -1.74 0.00 0.00 68.15 69.11 1smy h THR 223 CO 0.00 0.61 0.00 -1.22 0.37 0.00 0.00 175.52 175.28 1smy n TYR 224 N -3.34 0.00 -0.95 3.16 4.01 -0.47 -2.34 117.16 117.24 1smy n TYR 224 Ca 0.01 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.57 1smy n TYR 224 Cb 0.75 -0.29 0.04 0.00 -0.31 0.00 0.00 39.34 39.52 1smy n TYR 224 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1smy n PHE 225 N -1.29 1.64 0.00 -0.72 3.72 -1.23 -4.58 117.46 115.00 1smy n PHE 225 Ca 0.01 -2.03 0.00 0.00 -0.05 0.00 0.00 57.45 55.38 1smy n PHE 225 Cb 0.02 -1.01 0.00 0.00 -0.94 0.00 0.00 39.48 37.55 1smy n PHE 225 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1smy n SER 226 N 0.30 0.00 -4.51 4.37 2.88 -0.99 -4.91 113.62 110.76 1smy n SER 226 Ca 0.33 0.11 -0.43 0.00 -1.33 0.00 0.00 58.87 57.55 1smy n SER 226 Cb 0.58 -0.42 -0.04 0.00 -0.75 0.00 0.00 64.21 63.57 1smy n SER 226 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1smy s ASN 227 N -3.31 6.33 1.22 -3.46 6.03 -1.26 -5.05 114.94 115.44 1smy s ASN 227 Ca 0.00 -0.41 -0.17 0.00 -1.03 0.00 0.00 52.86 51.25 1smy s ASN 227 Cb 0.00 -2.42 0.29 0.00 -3.03 0.00 0.00 41.25 36.10 1smy s ASN 227 CO 0.00 -1.18 1.03 -2.84 -2.03 0.00 0.00 177.10 172.08 1smy s PRO 228 N 3.78 -1.38 0.00 3.55 0.02 -1.26 -5.20 135.00 134.51 1smy s PRO 228 Ca 0.29 0.35 0.00 0.00 0.02 0.00 0.00 61.00 61.65 1smy s PRO 228 Cb -0.13 -1.54 0.00 0.00 0.02 0.00 0.00 34.50 32.85 1smy s PRO 228 CO 0.18 -3.91 0.00 0.94 -0.33 0.00 0.00 177.00 173.89