#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 1.09 0.00 4.03 -0.00 -1.26 -4.59 117.00 116.26 1smy n LEU 2 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 1smy n LEU 2 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 1smy n LEU 2 CO 0.00 0.18 0.00 -0.67 -0.00 0.00 0.00 177.39 176.90 1smy n ASP 3 N -1.80 0.00 -0.16 1.45 2.03 -1.26 -4.52 116.55 112.29 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 0.23 0.00 0.06 0.00 -0.72 0.00 0.00 41.12 40.69 1smy n ASP 3 CO 0.00 0.00 0.00 -1.28 -1.92 0.00 0.00 177.20 174.00 1smy h SER 4 N 0.00 -0.24 0.12 1.67 0.87 -1.99 -0.89 113.55 113.10 1smy h SER 4 Ca 0.00 0.13 -0.28 0.00 -1.23 0.00 0.00 61.79 60.40 1smy h SER 4 Cb 0.00 0.23 0.02 0.00 -0.44 0.00 0.00 62.40 62.21 1smy h SER 4 CO 0.00 -0.08 -1.16 0.50 -0.53 0.00 0.00 176.83 175.56 1smy h LYS 5 N 0.11 0.63 0.00 2.24 3.64 -1.97 -3.09 116.57 118.12 1smy h LYS 5 Ca 0.26 -0.77 -0.00 0.00 -1.27 0.00 0.00 60.65 58.86 1smy h LYS 5 Cb 0.39 0.24 -0.00 0.00 -0.41 0.00 0.00 32.23 32.45 1smy h LYS 5 CO -0.44 1.34 -0.02 1.25 -2.27 0.00 0.00 179.45 179.31 1smy h LEU 6 N 0.31 0.00 -1.39 5.20 5.85 -1.74 -0.64 115.31 122.90 1smy h LEU 6 Ca -0.16 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.56 1smy h LEU 6 Cb 1.82 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.85 1smy h LEU 6 CO 0.22 0.02 0.00 1.17 -0.34 0.00 0.00 178.44 179.51 1smy n LYS 7 N -3.15 0.86 -1.89 1.25 0.00 -0.36 -4.87 118.16 110.00 1smy n LYS 7 Ca -0.01 0.00 -0.35 0.00 0.00 0.00 0.00 58.31 57.95 1smy n LYS 7 Cb 0.22 -1.29 0.04 0.00 0.00 0.00 0.00 35.03 34.00 1smy n LYS 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1smy s ALA 8 N -0.55 2.48 -0.11 3.14 0.00 -0.25 -4.62 121.76 121.84 1smy s ALA 8 Ca 0.00 0.86 -0.39 0.00 0.00 0.00 0.00 51.96 52.42 1smy s ALA 8 Cb 0.00 -3.41 -0.17 0.00 0.00 0.00 0.00 23.12 19.54 1smy s ALA 8 CO 0.00 -1.25 1.47 -2.30 0.00 0.00 0.00 175.76 173.68 1smy n PRO 9 N -1.92 0.88 -2.44 0.00 -0.02 -1.26 -4.74 135.00 125.50 1smy n PRO 9 Ca 0.13 0.32 -0.43 0.00 -2.02 0.00 0.00 63.50 61.50 1smy n PRO 9 Cb 0.50 -1.94 0.00 0.00 -0.02 0.00 0.00 33.50 32.04 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 3.25 4.31 -1.55 -1.45 0.31 -1.03 -4.90 118.33 117.27 1smy n VAL 10 Ca 0.23 -4.43 -0.24 0.00 -0.01 0.00 0.00 64.34 59.89 1smy n VAL 10 Cb 0.13 -2.38 -0.05 0.00 -0.91 0.00 0.00 33.84 30.62 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 4.29 1.27 -3.57 3.52 7.35 -1.26 -4.35 117.46 124.72 1smy n PHE 11 Ca 0.40 0.05 -0.24 0.00 -0.76 0.00 0.00 57.45 56.89 1smy n PHE 11 Cb 0.38 -2.61 -0.02 0.00 0.35 0.00 0.00 39.48 37.58 1smy n PHE 11 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1smy s THR 12 N 13.47 5.15 0.03 -2.13 -4.23 -0.21 -4.99 115.64 122.74 1smy s THR 12 Ca 0.96 -0.53 0.01 0.00 -1.18 0.00 0.00 61.69 60.96 1smy s THR 12 Cb -0.17 -3.83 -0.02 0.00 1.34 0.00 0.00 72.50 69.82 1smy s THR 12 CO 0.17 -0.42 -0.06 -0.69 -0.54 0.00 0.00 174.62 173.08 1smy s VAL 13 N -2.14 0.38 -0.27 2.29 1.01 -1.26 -2.65 120.40 117.76 1smy s VAL 13 Ca 0.39 -0.96 -0.02 0.00 0.00 0.00 0.00 61.98 61.39 1smy s VAL 13 Cb -0.10 -0.47 0.12 0.00 0.00 0.00 0.00 36.38 35.93 1smy s VAL 13 CO 0.33 -0.39 0.27 -0.13 0.00 0.00 0.00 175.10 175.18 1smy s ARG 14 N -1.44 0.28 -0.09 2.72 1.81 -1.11 -5.04 118.95 116.08 1smy s ARG 14 Ca -0.11 -0.06 -0.01 0.00 -1.72 0.00 0.00 55.73 53.84 1smy s ARG 14 Cb -0.09 -0.83 0.03 0.00 -0.45 0.00 0.00 34.95 33.60 1smy s ARG 14 CO -0.00 -0.92 -0.04 -0.08 -0.68 0.00 0.00 175.30 173.58 1smy s THR 15 N 2.34 0.73 -0.27 0.02 -1.32 -1.26 0.38 115.64 116.25 1smy s THR 15 Ca 0.09 -0.11 -0.02 0.00 -1.21 0.00 0.00 61.69 60.44 1smy s THR 15 Cb -0.15 -0.80 0.03 0.00 -1.51 0.00 0.00 72.50 70.08 1smy s THR 15 CO -0.27 0.31 -0.02 -1.10 -2.21 0.00 0.00 174.62 171.33 1smy s GLN 16 N 1.74 2.73 0.25 7.08 -1.52 -1.16 -4.99 119.66 123.79 1smy s GLN 16 Ca 0.03 -1.06 0.00 0.00 -1.95 0.00 0.00 55.36 52.39 1smy s GLN 16 Cb -0.13 -3.10 0.00 0.00 -0.22 0.00 0.00 33.01 29.57 1smy s GLN 16 CO -0.06 -0.48 0.00 0.41 -0.25 0.00 0.00 175.29 174.91 1smy n GLY 17 N 4.68 -3.31 0.00 3.09 0.00 -1.26 -3.53 105.19 104.85 1smy n GLY 17 Ca -0.15 -1.12 0.02 0.00 0.00 0.00 0.00 46.02 44.76 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 -2.00 0.13 0.00 1.61 1.74 -1.26 -3.56 116.66 113.32 1smy n ARG 18 Ca -0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1smy n ARG 18 Cb 0.20 -1.41 0.00 0.00 -1.02 0.00 0.00 32.46 30.24 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 -0.91 0.00 -2.97 5.56 4.71 -1.26 -3.78 120.64 121.99 1smy n GLU 19 Ca 0.03 0.13 -0.37 0.00 -0.01 0.00 0.00 57.16 56.94 1smy n GLU 19 Cb 0.01 -0.57 -0.06 0.00 -1.01 0.00 0.00 31.44 29.81 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 -0.80 3.69 -0.29 -0.32 6.04 -1.23 -0.75 117.35 123.69 1smy s TYR 20 Ca 0.00 1.56 -0.03 0.00 0.04 0.00 0.00 57.07 58.64 1smy s TYR 20 Cb 0.00 -2.74 0.17 0.00 -1.04 0.00 0.00 41.96 38.35 1smy s TYR 20 CO 0.00 0.31 0.58 0.20 -1.54 0.00 0.00 175.55 175.10 1smy s GLY 21 N -1.58 -0.86 0.32 8.97 0.00 0.47 -3.00 107.32 111.64 1smy s GLY 21 Ca 0.45 1.82 -0.09 0.00 0.00 0.00 0.00 44.72 46.89 1smy s GLY 21 CO 0.23 3.20 0.65 -0.54 0.00 0.00 0.00 173.10 176.64 1smy s GLU 22 N 2.82 3.75 -0.11 2.90 2.02 0.16 -0.58 118.70 129.67 1smy s GLU 22 Ca 0.14 0.29 -0.04 0.00 0.02 0.00 0.00 54.97 55.38 1smy s GLU 22 Cb -0.14 -2.53 0.06 0.00 0.10 0.00 0.00 34.13 31.61 1smy s GLU 22 CO -0.20 0.14 0.21 -0.06 0.02 0.00 0.00 175.26 175.37 1smy s PHE 23 N -2.13 -0.30 0.09 1.61 0.08 -0.33 -2.75 117.98 114.26 1smy s PHE 23 Ca 0.48 0.79 0.08 0.00 0.12 0.00 0.00 56.93 58.40 1smy s PHE 23 Cb -0.11 -0.15 -0.04 0.00 -0.57 0.00 0.00 43.02 42.15 1smy s PHE 23 CO 0.27 -0.31 -0.18 0.08 -0.10 0.00 0.00 175.22 174.98 1smy s VAL 24 N 2.35 2.80 -0.30 -0.44 1.01 -1.09 -1.06 120.40 123.68 1smy s VAL 24 Ca 0.02 -1.41 -0.05 0.00 0.00 0.00 0.00 61.98 60.54 1smy s VAL 24 Cb -0.12 -2.25 0.17 0.00 0.00 0.00 0.00 36.38 34.19 1smy s VAL 24 CO -0.07 0.18 0.69 -0.22 0.00 0.00 0.00 175.10 175.68 1smy s LEU 25 N -1.91 -1.17 0.17 3.92 0.20 -0.66 -1.05 118.68 118.20 1smy s LEU 25 Ca 0.17 0.96 -0.21 0.00 0.69 0.00 0.00 54.13 55.74 1smy s LEU 25 Cb -0.11 2.07 0.05 0.00 -0.43 0.00 0.00 46.19 47.78 1smy s LEU 25 CO 0.08 -0.22 0.56 -1.83 -0.29 0.00 0.00 176.35 174.66 1smy s GLU 26 N 2.85 1.31 0.89 1.98 1.03 -1.26 -3.22 118.70 122.28 1smy s GLU 26 Ca 0.11 -0.64 -0.13 0.00 0.03 0.00 0.00 54.97 54.34 1smy s GLU 26 Cb -0.13 0.56 0.13 0.00 -0.80 0.00 0.00 34.13 33.88 1smy s GLU 26 CO -0.19 -0.57 1.16 -2.14 -1.33 0.00 0.00 175.26 172.19 1smy s PRO 27 N -3.80 1.33 -0.06 -4.83 0.02 -1.26 -2.47 135.00 123.93 1smy s PRO 27 Ca 0.04 0.19 -0.13 0.00 0.02 0.00 0.00 61.00 61.12 1smy s PRO 27 Cb -0.01 -1.87 0.03 0.00 0.02 0.00 0.00 34.50 32.66 1smy s PRO 27 CO -0.09 -2.05 0.30 -0.51 -0.33 0.00 0.00 177.00 174.33 1smy s LEU 28 N -5.90 0.86 1.24 -5.54 1.43 -0.91 -4.53 118.68 105.33 1smy s LEU 28 Ca 0.64 0.33 -0.16 0.00 -1.03 0.00 0.00 54.13 53.91 1smy s LEU 28 Cb -0.13 1.15 0.31 0.00 0.03 0.00 0.00 46.19 47.55 1smy s LEU 28 CO 0.52 -0.29 1.00 -1.61 0.23 0.00 0.00 176.35 176.21 1smy s GLU 29 N -0.63 -1.52 -0.22 1.70 0.41 -1.26 -1.81 118.70 115.38 1smy s GLU 29 Ca -0.07 0.52 -0.39 0.00 -0.41 0.00 0.00 54.97 54.61 1smy s GLU 29 Cb -0.04 -1.51 -0.16 0.00 -1.78 0.00 0.00 34.13 30.64 1smy s GLU 29 CO 0.02 -4.04 1.68 -2.13 -0.49 0.00 0.00 175.26 170.30 1smy n ARG 30 N -5.10 1.17 -3.00 1.61 3.00 -1.26 -2.35 116.66 110.73 1smy n ARG 30 Ca 0.06 0.43 -0.21 0.00 -0.00 0.00 0.00 57.85 58.13 1smy n ARG 30 Cb 0.57 -2.11 0.01 0.00 0.00 0.00 0.00 32.46 30.93 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 3.92 -0.50 0.11 5.14 0.00 -1.26 -4.88 105.19 107.71 1smy n GLY 31 Ca 0.25 0.09 -0.13 0.00 0.00 0.00 0.00 46.02 46.22 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 -4.10 0.66 -0.31 1.61 3.01 -0.99 -3.46 117.46 113.88 1smy n PHE 32 Ca -0.10 0.19 0.21 0.00 1.01 0.00 0.00 57.45 58.77 1smy n PHE 32 Cb 0.60 -1.11 0.50 0.00 -0.01 0.00 0.00 39.48 39.46 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 2.81 1.15 0.54 1.37 0.00 -1.88 0.30 103.07 107.37 1smy h GLY 33 Ca -0.43 -0.21 -0.04 0.00 0.00 0.00 0.00 47.33 46.65 1smy h GLY 33 CO 0.04 -0.10 -0.12 -2.08 0.00 0.00 0.00 176.54 174.29 1smy h VAL 34 N 0.42 1.44 -0.01 4.60 2.07 -1.96 0.11 116.25 122.92 1smy h VAL 34 Ca 0.56 -1.49 0.00 0.00 0.82 0.00 0.00 66.70 66.59 1smy h VAL 34 Cb 1.39 2.31 -0.00 0.00 -1.52 0.00 0.00 31.29 33.47 1smy h VAL 34 CO -0.27 0.41 0.14 0.74 0.02 0.00 0.00 177.57 178.61 1smy h THR 35 N -0.37 0.04 0.00 2.57 2.02 -0.58 -2.32 112.91 114.27 1smy h THR 35 Ca -0.00 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.12 1smy h THR 35 Cb 0.73 0.86 -0.01 0.00 -1.74 0.00 0.00 68.15 67.99 1smy h THR 35 CO 0.03 0.00 -1.15 0.18 0.37 0.00 0.00 175.52 174.95 1smy n LEU 36 N -3.06 1.93 -0.26 2.58 4.77 0.42 -4.44 117.00 118.94 1smy n LEU 36 Ca -0.02 0.35 0.06 0.00 -0.03 0.00 0.00 56.01 56.37 1smy n LEU 36 Cb 0.20 -0.76 0.20 0.00 -2.33 0.00 0.00 43.42 40.73 1smy n LEU 36 CO 0.18 -0.18 1.00 1.23 -1.33 0.00 0.00 177.39 178.29 1smy h GLY 37 N -1.00 1.16 0.67 -0.72 0.00 -0.93 -2.46 103.07 99.80 1smy h GLY 37 Ca -0.09 -0.13 -0.03 0.00 0.00 0.00 0.00 47.33 47.08 1smy h GLY 37 CO -0.05 -0.13 -0.36 -0.57 0.00 0.00 0.00 176.54 175.42 1smy h ASN 38 N 0.41 -0.89 -0.55 0.19 -0.00 -1.64 -0.43 115.58 112.66 1smy h ASN 38 Ca 0.43 0.04 0.08 0.00 -0.00 0.00 0.00 56.30 56.85 1smy h ASN 38 Cb 0.69 0.25 -0.07 0.00 -0.00 0.00 0.00 38.32 39.19 1smy h ASN 38 CO -0.44 -0.59 0.20 -0.65 -0.00 0.00 0.00 177.43 175.96 1smy h PRO 39 N -0.96 0.37 -0.80 6.67 0.11 -1.75 -0.70 132.00 134.95 1smy h PRO 39 Ca -0.09 -0.02 0.11 0.00 0.11 0.00 0.00 66.00 66.10 1smy h PRO 39 Cb 0.75 -0.08 -0.08 0.00 0.11 0.00 0.00 31.00 31.70 1smy h PRO 39 CO 0.13 0.24 0.43 -0.07 -0.21 0.00 0.00 178.00 178.52 1smy h LEU 40 N 0.38 0.57 -0.01 2.35 3.38 -1.42 -0.03 115.31 120.53 1smy h LEU 40 Ca 0.27 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.31 1smy h LEU 40 Cb 0.32 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.02 1smy h LEU 40 CO -0.28 0.31 -0.01 -0.09 0.09 0.00 0.00 178.44 178.46 1smy h ARG 41 N 0.69 -0.01 -0.85 1.13 2.43 0.31 0.17 114.38 118.25 1smy h ARG 41 Ca 0.40 0.00 0.12 0.00 -0.81 0.00 0.00 59.98 59.69 1smy h ARG 41 Cb 0.43 0.00 -0.08 0.00 -0.42 0.00 0.00 29.97 29.90 1smy h ARG 41 CO -0.28 -0.01 0.47 0.00 -1.51 0.00 0.00 179.97 178.64 1smy h ARG 42 N -0.01 0.70 0.62 0.20 3.08 -0.02 -2.01 114.38 116.94 1smy h ARG 42 Ca 0.01 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 59.99 1smy h ARG 42 Cb 0.03 -0.16 0.01 0.00 0.08 0.00 0.00 29.97 29.92 1smy h ARG 42 CO -0.02 0.46 -0.30 0.82 -1.07 0.00 0.00 179.97 179.86 1smy h ILE 43 N 0.72 0.20 0.00 2.04 1.08 -0.60 -2.84 117.51 118.12 1smy h ILE 43 Ca 0.43 -0.33 0.00 0.00 -0.39 0.00 0.00 64.86 64.58 1smy h ILE 43 Cb 0.51 0.27 0.00 0.00 -3.07 0.00 0.00 36.82 34.53 1smy h ILE 43 CO -0.30 0.03 0.35 -0.07 -0.69 0.00 0.00 178.15 177.46 1smy h LEU 44 N -1.10 0.00 0.00 1.44 3.38 -0.23 0.14 115.31 118.94 1smy h LEU 44 Ca -0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1smy h LEU 44 Cb 0.69 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.44 1smy h LEU 44 CO 0.14 0.00 -1.10 0.18 0.09 0.00 0.00 178.44 177.75 1smy n LEU 45 N -2.30 0.46 0.01 1.67 4.77 -0.80 -4.55 117.00 116.27 1smy n LEU 45 Ca -0.01 -0.32 0.00 0.00 -0.03 0.00 0.00 56.01 55.65 1smy n LEU 45 Cb 0.37 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 1smy n LEU 45 CO 0.08 0.12 -0.29 -1.54 -1.33 0.00 0.00 177.39 174.42 1smy n SER 46 N -1.62 0.13 0.24 -1.43 3.41 0.12 -4.31 113.62 110.17 1smy n SER 46 Ca 0.01 0.05 -0.14 0.00 -0.26 0.00 0.00 58.87 58.52 1smy n SER 46 Cb 0.31 -0.02 -0.08 0.00 -0.26 0.00 0.00 64.21 64.16 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 -0.53 -0.05 4.04 0.02 -1.04 -1.75 113.55 114.24 1smy h SER 47 Ca 0.00 -0.09 -0.39 0.00 -0.84 0.00 0.00 61.79 60.47 1smy h SER 47 Cb 0.58 0.14 -0.10 0.00 0.14 0.00 0.00 62.40 63.16 1smy h SER 47 CO 0.00 -0.18 1.85 -0.38 -1.14 0.00 0.00 176.83 176.99 1smy n ILE 48 N -5.25 -0.00 -1.72 3.27 5.41 -1.22 -4.77 119.36 115.08 1smy n ILE 48 Ca -0.11 -0.34 -0.38 0.00 1.00 0.00 0.00 62.75 62.92 1smy n ILE 48 Cb 0.30 -0.31 0.05 0.00 -0.71 0.00 0.00 39.64 38.97 1smy n ILE 48 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 1smy n PRO 49 N 6.73 1.48 0.00 0.38 -0.02 -1.26 -4.30 135.00 138.00 1smy n PRO 49 Ca 0.66 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 62.69 1smy n PRO 49 Cb 0.12 -2.49 0.00 0.00 -0.02 0.00 0.00 33.50 31.11 1smy n PRO 49 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1smy n GLY 50 N 0.87 4.61 3.20 -1.23 0.00 0.34 -4.66 105.19 108.32 1smy n GLY 50 Ca 0.12 -1.15 -0.13 0.00 0.00 0.00 0.00 46.02 44.86 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 -1.07 0.05 -0.19 2.61 -4.23 -0.94 -1.51 115.64 110.36 1smy s THR 51 Ca 0.00 -0.43 -0.34 0.00 -1.18 0.00 0.00 61.69 59.74 1smy s THR 51 Cb 0.00 -0.53 0.14 0.00 1.34 0.00 0.00 72.50 73.45 1smy s THR 51 CO 0.00 -0.23 1.20 0.00 -0.54 0.00 0.00 174.62 175.04 1smy s ALA 52 N -1.04 -2.06 0.21 3.99 0.00 -1.12 -4.49 121.76 117.26 1smy s ALA 52 Ca -0.11 1.60 -0.32 0.00 0.00 0.00 0.00 51.96 53.13 1smy s ALA 52 Cb -0.05 -0.24 -0.14 0.00 0.00 0.00 0.00 23.12 22.68 1smy s ALA 52 CO 0.03 -0.55 1.27 0.28 0.00 0.00 0.00 175.76 176.78 1smy n VAL 53 N -0.00 0.99 0.00 0.00 0.31 -1.26 -3.19 118.33 115.17 1smy n VAL 53 Ca -0.00 -0.25 0.00 0.00 -0.01 0.00 0.00 64.34 64.08 1smy n VAL 53 Cb 0.58 -1.15 0.00 0.00 -0.91 0.00 0.00 33.84 32.37 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 1.59 0.00 -3.61 2.52 5.66 -1.17 -4.44 114.28 114.84 1smy n THR 54 Ca 0.13 -0.25 -0.11 0.00 -3.05 0.00 0.00 64.05 60.77 1smy n THR 54 Cb 0.28 0.89 -0.06 0.00 -1.55 0.00 0.00 70.33 69.89 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 -0.68 -0.50 0.05 1.09 0.15 -1.26 -2.81 113.70 109.74 1smy s SER 55 Ca 0.00 0.81 0.03 0.00 0.70 0.00 0.00 55.95 57.49 1smy s SER 55 Cb 0.00 0.77 -0.03 0.00 -1.71 0.00 0.00 66.02 65.05 1smy s SER 55 CO 0.00 -0.27 -0.10 -0.69 1.20 0.00 0.00 173.24 173.37 1smy s VAL 56 N -0.29 0.77 -0.05 4.45 1.01 -0.24 0.32 120.40 126.37 1smy s VAL 56 Ca -0.00 -1.14 -0.01 0.00 0.00 0.00 0.00 61.98 60.83 1smy s VAL 56 Cb -0.03 -0.79 0.03 0.00 0.00 0.00 0.00 36.38 35.58 1smy s VAL 56 CO -0.01 -0.30 0.00 -0.47 0.00 0.00 0.00 175.10 174.32 1smy s TYR 57 N -1.30 0.51 0.07 5.22 5.04 -0.37 0.22 117.35 126.74 1smy s TYR 57 Ca -0.06 -0.07 0.04 0.00 -2.44 0.00 0.00 57.07 54.53 1smy s TYR 57 Cb -0.10 -0.64 -0.04 0.00 0.35 0.00 0.00 41.96 41.54 1smy s TYR 57 CO 0.01 -0.24 0.03 0.42 -1.34 0.00 0.00 175.55 174.43 1smy s ILE 58 N 1.60 4.23 0.00 3.14 -1.09 -1.26 -1.65 121.20 126.17 1smy s ILE 58 Ca -0.01 -0.84 0.00 0.00 -2.23 0.00 0.00 60.65 57.57 1smy s ILE 58 Cb -0.13 -3.00 0.00 0.00 -1.58 0.00 0.00 42.46 37.75 1smy s ILE 58 CO -0.03 0.17 0.55 -1.84 -1.23 0.00 0.00 174.94 172.56 1smy n GLU 59 N 0.68 0.00 -0.24 2.79 0.28 0.48 -3.20 120.64 121.43 1smy n GLU 59 Ca -0.11 0.55 0.07 0.00 -0.16 0.00 0.00 57.16 57.51 1smy n GLU 59 Cb 0.52 -0.95 0.19 0.00 1.43 0.00 0.00 31.44 32.63 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 -1.65 3.20 -4.73 -1.84 8.00 -1.26 -4.99 116.55 113.27 1smy n ASP 60 Ca 0.00 -2.09 -0.38 0.00 0.71 0.00 0.00 54.79 53.03 1smy n ASP 60 Cb 0.00 -0.30 -0.06 0.00 -0.02 0.00 0.00 41.12 40.74 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 -1.16 5.10 -0.15 2.53 1.01 -1.19 -4.95 120.40 121.58 1smy s VAL 61 Ca 0.29 1.11 0.00 0.00 0.00 0.00 0.00 61.98 63.38 1smy s VAL 61 Cb 0.16 -3.88 -0.10 0.00 0.00 0.00 0.00 36.38 32.57 1smy s VAL 61 CO 0.18 0.34 -0.14 0.00 0.00 0.00 0.00 175.10 175.48 1smy n LEU 62 N 3.43 2.81 -4.84 3.92 -0.00 -1.26 -4.46 117.00 116.59 1smy n LEU 62 Ca -0.06 -0.05 -0.28 0.00 -0.00 0.00 0.00 56.01 55.61 1smy n LEU 62 Cb 0.51 -0.53 -0.05 0.00 -0.00 0.00 0.00 43.42 43.36 1smy n LEU 62 CO 0.44 0.72 -0.19 -1.00 -0.00 0.00 0.00 177.39 177.35 1smy s HIS 63 N -2.30 3.29 0.42 1.47 3.76 -1.26 -4.77 115.29 115.89 1smy s HIS 63 Ca -0.21 0.08 0.20 0.00 -0.15 0.00 0.00 55.06 54.98 1smy s HIS 63 Cb 0.06 -1.61 1.17 0.00 1.11 0.00 0.00 32.58 33.31 1smy s HIS 63 CO 0.34 0.53 2.00 1.49 -0.85 0.00 0.00 174.74 178.25 1smy h GLU 64 N 2.69 0.00 -0.95 1.40 4.81 -1.96 -3.06 114.58 117.51 1smy h GLU 64 Ca -0.47 0.00 -0.53 0.00 -0.13 0.00 0.00 59.36 58.22 1smy h GLU 64 Cb 1.18 0.00 -0.29 0.00 0.63 0.00 0.00 28.75 30.27 1smy h GLU 64 CO 0.67 0.18 0.63 1.19 -0.73 0.00 0.00 179.01 180.96 1smy n PHE 65 N -3.95 2.97 -3.14 0.92 3.01 -1.26 -3.64 117.46 112.38 1smy n PHE 65 Ca -0.02 -2.12 -0.19 0.00 1.01 0.00 0.00 57.45 56.13 1smy n PHE 65 Cb 0.27 -1.03 0.02 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 -1.55 5.33 -0.04 4.37 0.01 -1.16 -5.00 113.70 115.67 1smy s SER 66 Ca 0.58 -0.66 0.04 0.00 1.31 0.00 0.00 55.95 57.22 1smy s SER 66 Cb 0.48 -0.25 -0.00 0.00 0.21 0.00 0.00 66.02 66.46 1smy s SER 66 CO 0.07 -0.97 -0.14 0.28 0.41 0.00 0.00 173.24 172.89 1smy s THR 67 N -2.50 1.20 -0.25 1.44 -1.32 -1.26 -2.75 115.64 110.20 1smy s THR 67 Ca 0.55 -0.59 -0.09 0.00 -1.21 0.00 0.00 61.69 60.35 1smy s THR 67 Cb -0.07 -1.04 -0.04 0.00 -1.51 0.00 0.00 72.50 69.84 1smy s THR 67 CO 0.34 0.35 0.13 -0.63 -2.21 0.00 0.00 174.62 172.60 1smy s ILE 68 N 0.08 4.96 0.74 5.08 1.01 -1.26 -5.04 121.20 126.77 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 -3.33 -0.01 0.00 0.01 0.00 0.00 42.46 39.03 1smy s ILE 68 CO 0.01 0.32 0.70 -2.65 0.00 0.00 0.00 174.94 173.33 1smy n PRO 69 N 4.68 0.34 -0.36 2.79 -0.02 -1.26 -1.56 135.00 139.60 1smy n PRO 69 Ca -0.15 0.16 0.00 0.00 -2.02 0.00 0.00 63.50 61.49 1smy n PRO 69 Cb 0.52 -1.99 0.00 0.00 -0.02 0.00 0.00 33.50 32.01 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 1.40 0.67 3.14 -1.23 0.00 -1.26 -4.53 105.19 103.38 1smy n GLY 70 Ca 0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.89 2.95 0.10 1.61 1.01 -0.60 -0.84 120.40 122.74 1smy s VAL 71 Ca 0.00 -1.65 -0.34 0.00 0.00 0.00 0.00 61.98 59.99 1smy s VAL 71 Cb 0.00 -2.82 -0.15 0.00 0.00 0.00 0.00 36.38 33.41 1smy s VAL 71 CO 0.00 -0.29 1.57 0.50 0.00 0.00 0.00 175.10 176.88 1smy h LYS 72 N 7.96 -0.81 -6.60 2.72 3.64 -1.81 -3.42 116.57 118.25 1smy h LYS 72 Ca -0.17 0.05 -0.57 0.00 -1.27 0.00 0.00 60.65 58.69 1smy h LYS 72 Cb 1.05 0.18 0.18 0.00 -0.41 0.00 0.00 32.23 33.24 1smy h LYS 72 CO 0.57 -0.54 -0.40 0.39 -2.27 0.00 0.00 179.45 177.20 1smy n GLU 73 N -5.51 0.39 -4.11 1.90 -0.58 -1.26 -4.99 120.64 106.47 1smy n GLU 73 Ca -0.10 0.17 -0.25 0.00 -0.42 0.00 0.00 57.16 56.56 1smy n GLU 73 Cb 0.43 -1.79 -0.05 0.00 -0.57 0.00 0.00 31.44 29.46 1smy n GLU 73 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1smy s ASP 74 N -1.36 5.41 0.29 1.62 2.15 -1.26 -4.60 116.67 118.92 1smy s ASP 74 Ca 0.67 -0.21 0.03 0.00 0.43 0.00 0.00 52.55 53.47 1smy s ASP 74 Cb -0.38 -1.37 0.72 0.00 -0.30 0.00 0.00 42.92 41.59 1smy s ASP 74 CO 0.57 0.04 1.66 0.58 -0.17 0.00 0.00 175.17 177.85 1smy h VAL 75 N 1.95 0.35 -0.23 1.11 2.07 -1.77 0.18 116.25 119.91 1smy h VAL 75 Ca -0.48 -0.09 -0.11 0.00 0.82 0.00 0.00 66.70 66.85 1smy h VAL 75 Cb 1.21 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 31.05 1smy h VAL 75 CO 0.62 0.05 -0.31 0.58 0.02 0.00 0.00 177.57 178.53 1smy h VAL 76 N 0.25 1.28 0.00 2.57 2.07 -1.82 -0.62 116.25 119.98 1smy h VAL 76 Ca 0.56 -1.37 -0.15 0.00 0.82 0.00 0.00 66.70 66.56 1smy h VAL 76 Cb 1.11 1.44 -0.02 0.00 -1.52 0.00 0.00 31.29 32.30 1smy h VAL 76 CO -0.62 0.43 -0.69 -0.08 0.02 0.00 0.00 177.57 176.62 1smy h GLU 77 N 0.41 0.00 -0.03 1.57 4.81 -1.17 -2.93 114.58 117.24 1smy h GLU 77 Ca 0.05 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.22 1smy h GLU 77 Cb 0.74 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.13 1smy h GLU 77 CO 0.06 0.69 -0.23 0.82 -0.73 0.00 0.00 179.01 179.63 1smy h ILE 78 N 0.00 1.48 0.00 2.32 2.04 -0.60 -2.09 117.51 120.66 1smy h ILE 78 Ca -0.01 -1.75 0.00 0.00 1.00 0.00 0.00 64.86 64.11 1smy h ILE 78 Cb 1.52 2.51 0.00 0.00 -0.74 0.00 0.00 36.82 40.11 1smy h ILE 78 CO 0.09 0.48 0.00 0.16 0.00 0.00 0.00 178.15 178.88 1smy h ILE 79 N -0.37 0.00 0.02 -0.67 3.07 -1.20 -1.51 117.51 116.85 1smy h ILE 79 Ca -0.02 -0.06 -0.05 0.00 1.55 0.00 0.00 64.86 66.28 1smy h ILE 79 Cb 0.91 0.91 0.00 0.00 -0.27 0.00 0.00 36.82 38.37 1smy h ILE 79 CO 0.05 0.00 -0.20 0.25 -1.05 0.00 0.00 178.15 177.19 1smy h LEU 80 N 0.00 0.15 -1.95 0.16 5.85 -1.36 -3.17 115.31 114.98 1smy h LEU 80 Ca 0.00 -0.88 -0.02 0.00 0.84 0.00 0.00 57.88 57.82 1smy h LEU 80 Cb 0.07 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.05 1smy h LEU 80 CO 0.00 1.01 -0.08 0.78 -0.34 0.00 0.00 178.44 179.81 1smy h ASN 81 N -0.70 0.00 -0.52 1.25 4.21 -0.59 -1.69 115.58 117.53 1smy h ASN 81 Ca -0.03 0.00 -0.06 0.00 1.21 0.00 0.00 56.30 57.42 1smy h ASN 81 Cb 1.06 0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 38.23 1smy h ASN 81 CO 0.04 0.08 0.11 -0.07 -1.29 0.00 0.00 177.43 176.30 1smy h LEU 82 N 0.00 0.85 -2.52 1.61 3.38 -1.38 -1.09 115.31 116.16 1smy h LEU 82 Ca -0.00 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.80 1smy h LEU 82 Cb 0.16 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.69 1smy h LEU 82 CO 0.01 0.85 0.01 0.11 0.09 0.00 0.00 178.44 179.51 1smy h LYS 83 N 0.86 0.00 0.00 1.13 1.57 -1.27 -0.22 116.57 118.63 1smy h LYS 83 Ca 0.18 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.82 1smy h LYS 83 Cb 0.36 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.65 1smy h LYS 83 CO 0.01 0.00 -0.69 1.49 -0.57 0.00 0.00 179.45 179.68 1smy h GLU 84 N 0.00 0.00 -6.88 3.15 4.57 -1.19 -3.46 114.58 110.77 1smy h GLU 84 Ca 0.00 0.00 -0.53 0.00 -1.18 0.00 0.00 59.36 57.65 1smy h GLU 84 Cb 0.02 0.00 0.09 0.00 -0.16 0.00 0.00 28.75 28.70 1smy h GLU 84 CO -0.00 0.69 0.80 -1.17 -1.18 0.00 0.00 179.01 178.16 1smy s LEU 85 N -6.85 4.34 -0.16 1.64 2.96 -0.10 -5.01 118.68 115.50 1smy s LEU 85 Ca 0.01 2.96 0.01 0.00 -0.22 0.00 0.00 54.13 56.89 1smy s LEU 85 Cb 0.10 -3.65 0.02 0.00 0.50 0.00 0.00 46.19 43.16 1smy s LEU 85 CO 0.77 -0.85 -0.17 0.54 -1.32 0.00 0.00 176.35 175.32 1smy s VAL 86 N -0.65 1.82 0.49 1.68 0.11 -1.26 -4.72 120.40 117.87 1smy s VAL 86 Ca 0.57 -0.79 0.05 0.00 -2.93 0.00 0.00 61.98 58.88 1smy s VAL 86 Cb -0.46 -1.66 0.00 0.00 -1.53 0.00 0.00 36.38 32.73 1smy s VAL 86 CO 0.56 0.50 0.27 0.68 -3.33 0.00 0.00 175.10 173.78 1smy s VAL 87 N 1.36 1.81 -0.30 2.04 -7.23 -1.26 -2.42 120.40 114.40 1smy s VAL 87 Ca 0.04 -1.62 -0.02 0.00 -1.81 0.00 0.00 61.98 58.56 1smy s VAL 87 Cb -0.13 -2.43 0.18 0.00 0.56 0.00 0.00 36.38 34.56 1smy s VAL 87 CO -0.11 0.00 0.61 -0.60 -0.31 0.00 0.00 175.10 174.69 1smy s ARG 88 N -4.10 0.57 0.68 4.82 3.52 -0.79 -4.79 118.95 118.85 1smy s ARG 88 Ca 0.32 1.08 -0.04 0.00 -0.13 0.00 0.00 55.73 56.97 1smy s ARG 88 Cb 0.00 0.61 0.07 0.00 -1.56 0.00 0.00 34.95 34.08 1smy s ARG 88 CO 0.19 -0.55 0.95 -0.06 -0.81 0.00 0.00 175.30 175.02 1smy s PHE 89 N 2.87 2.56 -0.31 5.12 0.08 -1.26 -1.87 117.98 125.16 1smy s PHE 89 Ca 0.17 0.15 0.05 0.00 0.12 0.00 0.00 56.93 57.42 1smy s PHE 89 Cb -0.15 -3.08 -0.03 0.00 -0.57 0.00 0.00 43.02 39.19 1smy s PHE 89 CO -0.21 -1.38 0.29 -0.11 -0.10 0.00 0.00 175.22 173.72 1smy n LEU 90 N -2.78 0.45 -3.51 -0.37 0.00 -1.17 -4.97 117.00 104.65 1smy n LEU 90 Ca 0.10 -0.59 -0.17 0.00 0.00 0.00 0.00 56.01 55.34 1smy n LEU 90 Cb 0.60 0.00 -0.06 0.00 0.00 0.00 0.00 43.42 43.97 1smy n LEU 90 CO 0.48 0.10 0.44 0.54 0.00 0.00 0.00 177.39 178.94 1smy s ASN 91 N -1.27 -0.65 0.36 1.96 2.20 -1.26 -5.04 114.94 111.24 1smy s ASN 91 Ca 0.03 0.64 0.26 0.00 -0.94 0.00 0.00 52.86 52.85 1smy s ASN 91 Cb 0.04 0.55 1.22 0.00 -2.00 0.00 0.00 41.25 41.05 1smy s ASN 91 CO 0.17 -0.65 1.28 -2.65 -2.94 0.00 0.00 177.10 172.31 1smy n PRO 92 N 0.77 -0.03 0.22 3.55 -0.02 -1.26 -0.71 135.00 137.52 1smy n PRO 92 Ca -0.19 1.03 0.15 0.00 -2.02 0.00 0.00 63.50 62.47 1smy n PRO 92 Cb 0.58 -2.02 0.63 0.00 -0.02 0.00 0.00 33.50 32.66 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 -3.63 2.55 0.02 -2.03 -3.30 113.55 107.17 1smy h SER 93 Ca 0.72 0.00 -0.76 0.00 -0.84 0.00 0.00 61.79 60.91 1smy h SER 93 Cb 2.32 0.00 -0.28 0.00 0.14 0.00 0.00 62.40 64.58 1smy h SER 93 CO -0.38 0.00 -0.13 -0.76 -1.14 0.00 0.00 176.83 174.42 1smy s LEU 94 N -6.13 6.21 -0.22 5.07 1.02 0.11 -4.83 118.68 119.93 1smy s LEU 94 Ca -0.03 -2.39 -0.17 0.00 0.02 0.00 0.00 54.13 51.56 1smy s LEU 94 Cb 0.09 -2.12 -0.18 0.00 0.02 0.00 0.00 46.19 44.00 1smy s LEU 94 CO 0.32 -0.62 0.06 0.00 0.02 0.00 0.00 176.35 176.13 1smy n GLN 95 N 4.33 0.60 -3.74 1.70 3.00 -1.25 -4.77 117.38 117.25 1smy n GLN 95 Ca 0.03 0.44 -0.26 0.00 -0.01 0.00 0.00 57.00 57.20 1smy n GLN 95 Cb 0.43 -1.67 -0.17 0.00 0.00 0.00 0.00 30.24 28.83 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 -2.43 0.46 -0.13 5.09 -1.32 -1.26 -2.29 115.64 113.76 1smy s THR 96 Ca -0.31 -0.33 0.00 0.00 -1.21 0.00 0.00 61.69 59.84 1smy s THR 96 Cb 0.08 -0.86 -0.01 0.00 -1.51 0.00 0.00 72.50 70.20 1smy s THR 96 CO 0.59 -0.06 -0.15 -0.69 -2.21 0.00 0.00 174.62 172.10 1smy s VAL 97 N 1.90 2.90 -0.50 5.08 1.01 0.44 -4.93 120.40 126.30 1smy s VAL 97 Ca 0.01 -0.71 -0.13 0.00 0.00 0.00 0.00 61.98 61.15 1smy s VAL 97 Cb -0.15 -2.21 0.12 0.00 0.00 0.00 0.00 36.38 34.14 1smy s VAL 97 CO -0.07 0.53 0.41 -0.89 0.00 0.00 0.00 175.10 175.08 1smy s THR 98 N 0.37 4.74 0.08 3.92 2.01 -1.26 -0.34 115.64 125.16 1smy s THR 98 Ca -0.12 -1.58 -0.30 0.00 0.31 0.00 0.00 61.69 60.00 1smy s THR 98 Cb -0.16 -4.04 -0.06 0.00 0.01 0.00 0.00 72.50 68.25 1smy s THR 98 CO 0.06 -0.79 1.15 -0.76 -0.69 0.00 0.00 174.62 173.60 1smy s LEU 99 N 1.49 4.40 0.02 4.42 1.02 -0.82 -4.86 118.68 124.35 1smy s LEU 99 Ca 0.04 1.99 -0.01 0.00 0.02 0.00 0.00 54.13 56.18 1smy s LEU 99 Cb -0.28 -3.58 -0.04 0.00 0.02 0.00 0.00 46.19 42.31 1smy s LEU 99 CO 0.02 -0.39 0.16 -0.76 0.02 0.00 0.00 176.35 175.39 1smy s LEU 100 N 0.73 4.20 -0.20 1.79 1.43 -1.26 -1.90 118.68 123.48 1smy s LEU 100 Ca 0.56 0.24 -0.17 0.00 -1.03 0.00 0.00 54.13 53.73 1smy s LEU 100 Cb -0.28 -2.63 0.05 0.00 0.03 0.00 0.00 46.19 43.36 1smy s LEU 100 CO 0.30 0.23 0.52 -0.22 0.23 0.00 0.00 176.35 177.41 1smy s LEU 101 N -2.12 -0.07 -0.24 1.79 0.20 -0.77 -1.98 118.68 115.48 1smy s LEU 101 Ca 0.29 1.06 -0.02 0.00 0.69 0.00 0.00 54.13 56.14 1smy s LEU 101 Cb -0.13 1.76 0.13 0.00 -0.43 0.00 0.00 46.19 47.53 1smy s LEU 101 CO 0.21 -0.19 0.37 -0.75 -0.29 0.00 0.00 176.35 175.70 1smy s LYS 102 N 0.55 0.34 0.04 1.98 2.20 -1.26 -0.49 119.74 123.10 1smy s LYS 102 Ca -0.02 0.48 0.04 0.00 -0.36 0.00 0.00 55.97 56.11 1smy s LYS 102 Cb -0.04 -0.52 -0.02 0.00 -1.51 0.00 0.00 37.83 35.74 1smy s LYS 102 CO -0.03 -0.67 -0.12 0.00 -0.36 0.00 0.00 175.35 174.17 1smy s ALA 103 N 2.53 0.98 0.26 3.13 0.00 -0.58 -4.99 121.76 123.09 1smy s ALA 103 Ca 0.12 -0.77 0.02 0.00 0.00 0.00 0.00 51.96 51.32 1smy s ALA 103 Cb -0.15 -0.12 -0.04 0.00 0.00 0.00 0.00 23.12 22.80 1smy s ALA 103 CO -0.17 0.16 0.13 -1.21 0.00 0.00 0.00 175.76 174.67 1smy s GLU 104 N -1.19 1.43 0.35 0.00 2.02 -1.26 -2.50 118.70 117.55 1smy s GLU 104 Ca -0.01 -1.79 0.00 0.00 0.02 0.00 0.00 54.97 53.19 1smy s GLU 104 Cb -0.08 -0.07 0.00 0.00 0.10 0.00 0.00 34.13 34.08 1smy s GLU 104 CO 0.01 -0.38 0.00 0.41 0.02 0.00 0.00 175.26 175.32 1smy n GLY 105 N -0.46 -2.34 3.54 -1.39 0.00 -1.22 -4.59 105.19 98.73 1smy n GLY 105 Ca 0.01 -1.21 -0.29 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 -3.80 0.59 -3.63 1.61 -0.02 -1.20 -4.41 135.00 124.14 1smy n PRO 106 Ca -0.02 -0.23 -0.15 0.00 -2.02 0.00 0.00 63.50 61.08 1smy n PRO 106 Cb 0.51 -2.85 -0.07 0.00 -0.02 0.00 0.00 33.50 31.06 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 8.45 0.84 -1.04 -0.52 2.20 -0.90 -4.99 119.74 123.78 1smy s LYS 107 Ca 1.08 0.32 -0.12 0.00 -0.36 0.00 0.00 55.97 56.89 1smy s LYS 107 Cb -0.45 0.40 0.23 0.00 -1.51 0.00 0.00 37.83 36.49 1smy s LYS 107 CO 0.29 -0.21 1.09 -1.21 -0.36 0.00 0.00 175.35 174.95 1smy s GLU 108 N -0.75 3.97 -0.38 4.03 2.02 -1.26 -1.13 118.70 125.20 1smy s GLU 108 Ca -0.08 -2.77 -0.31 0.00 0.02 0.00 0.00 54.97 51.83 1smy s GLU 108 Cb -0.03 -4.66 -0.09 0.00 0.10 0.00 0.00 34.13 29.46 1smy s GLU 108 CO 0.06 -1.40 2.28 0.28 0.02 0.00 0.00 175.26 176.49 1smy n VAL 109 N 3.65 0.17 -3.17 2.63 0.31 -1.00 -4.92 118.33 116.00 1smy n VAL 109 Ca 0.24 -0.41 -0.20 0.00 -0.01 0.00 0.00 64.34 63.96 1smy n VAL 109 Cb 0.43 -2.08 0.04 0.00 -0.91 0.00 0.00 33.84 31.32 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 6.83 2.41 0.45 5.55 1.02 -1.26 -2.61 119.74 132.13 1smy s LYS 110 Ca 1.06 -1.61 0.30 0.00 0.02 0.00 0.00 55.97 55.75 1smy s LYS 110 Cb -0.59 -2.58 1.27 0.00 -0.52 0.00 0.00 37.83 35.41 1smy s LYS 110 CO 0.40 -0.68 1.90 0.00 -0.92 0.00 0.00 175.35 176.05 1smy h ALA 111 N 0.39 1.00 0.00 5.17 0.00 -0.75 -2.40 119.26 122.67 1smy h ALA 111 Ca -0.33 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.58 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 0.45 0.00 0.00 2.89 0.00 0.00 0.00 179.25 182.59 1smy n ARG 112 N -2.76 0.08 0.00 0.00 1.85 -0.17 -2.80 116.66 112.85 1smy n ARG 112 Ca 0.01 0.29 0.14 0.00 -1.00 0.00 0.00 57.85 57.28 1smy n ARG 112 Cb 0.26 -1.64 0.68 0.00 -1.05 0.00 0.00 32.46 30.71 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 -1.78 0.00 -4.75 2.89 8.00 -0.90 -4.84 116.55 115.17 1smy n ASP 113 Ca 0.03 0.08 -0.41 0.00 0.71 0.00 0.00 54.79 55.21 1smy n ASP 113 Cb 0.21 -0.36 -0.04 0.00 -0.02 0.00 0.00 41.12 40.92 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 -2.71 3.42 0.19 1.24 0.40 -1.12 -4.71 117.98 114.68 1smy s PHE 114 Ca 0.23 1.54 -0.32 0.00 -0.60 0.00 0.00 56.93 57.78 1smy s PHE 114 Cb 0.19 -3.42 -0.11 0.00 0.51 0.00 0.00 43.02 40.19 1smy s PHE 114 CO 0.46 -1.06 1.66 -0.48 0.70 0.00 0.00 175.22 176.50 1smy s LEU 115 N -1.10 4.37 0.53 -0.37 0.05 -0.84 -4.92 118.68 116.41 1smy s LEU 115 Ca 0.48 2.77 -0.21 0.00 0.05 0.00 0.00 54.13 57.22 1smy s LEU 115 Cb -0.34 -3.60 -0.07 0.00 -2.05 0.00 0.00 46.19 40.14 1smy s LEU 115 CO 0.42 -0.91 1.07 -2.65 -0.55 0.00 0.00 176.35 173.72 1smy n PRO 116 N 3.99 1.23 -3.85 1.48 -0.02 -1.26 -4.67 135.00 131.91 1smy n PRO 116 Ca 0.15 0.46 -0.27 0.00 -2.02 0.00 0.00 63.50 61.82 1smy n PRO 116 Cb 0.36 -2.23 -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 -1.39 0.91 0.00 -1.45 1.01 -1.26 -5.08 120.40 113.14 1smy s VAL 117 Ca 0.71 -0.51 0.00 0.00 0.00 0.00 0.00 61.98 62.18 1smy s VAL 117 Cb -0.46 -1.13 0.00 0.00 0.00 0.00 0.00 36.38 34.79 1smy s VAL 117 CO 0.51 0.10 0.00 0.00 0.00 0.00 0.00 175.10 175.71 1smy n ALA 118 N 4.94 0.00 0.85 5.51 0.00 -1.26 -0.19 120.51 130.36 1smy n ALA 118 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1smy n ALA 118 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.93 1smy n ALA 118 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1smy n ASP 119 N -0.34 0.51 -4.07 0.00 5.68 -1.26 -4.77 116.55 112.30 1smy n ASP 119 Ca 0.00 -1.36 -0.19 0.00 -0.50 0.00 0.00 54.79 52.74 1smy n ASP 119 Cb 0.00 -0.26 -0.14 0.00 -1.14 0.00 0.00 41.12 39.58 1smy n ASP 119 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 1smy s VAL 120 N -1.25 0.85 0.09 2.12 1.01 0.74 -3.04 120.40 120.92 1smy s VAL 120 Ca 0.00 -0.61 0.07 0.00 0.00 0.00 0.00 61.98 61.44 1smy s VAL 120 Cb 0.00 -0.74 -0.03 0.00 0.00 0.00 0.00 36.38 35.60 1smy s VAL 120 CO 0.00 0.13 -0.19 -0.70 0.00 0.00 0.00 175.10 174.34 1smy s GLU 121 N -0.55 1.06 -0.30 2.72 2.12 -0.78 -4.46 118.70 118.50 1smy s GLU 121 Ca 0.02 -1.09 -0.01 0.00 0.36 0.00 0.00 54.97 54.25 1smy s GLU 121 Cb -0.05 -1.25 0.06 0.00 0.26 0.00 0.00 34.13 33.14 1smy s GLU 121 CO 0.00 0.29 -0.01 0.42 -0.54 0.00 0.00 175.26 175.42 1smy s ILE 122 N -1.17 2.83 -0.92 -3.70 1.01 -1.26 -1.89 121.20 116.10 1smy s ILE 122 Ca 0.04 -1.51 0.25 0.00 0.00 0.00 0.00 60.65 59.44 1smy s ILE 122 Cb -0.10 -2.67 0.22 0.00 0.01 0.00 0.00 42.46 39.93 1smy s ILE 122 CO 0.04 -0.15 1.79 0.23 0.00 0.00 0.00 174.94 176.85 1smy n MET 123 N 4.57 0.06 -2.41 2.79 2.81 -1.01 -3.93 117.12 119.99 1smy n MET 123 Ca -0.12 0.12 -0.31 0.00 -1.81 0.00 0.00 57.70 55.57 1smy n MET 123 Cb 0.43 -1.58 0.01 0.00 -0.71 0.00 0.00 33.22 31.37 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 -1.68 5.60 0.13 7.83 2.85 -1.24 -4.93 115.26 123.83 1smy n ASN 124 Ca 0.06 -3.75 -0.15 0.00 -0.11 0.00 0.00 54.58 50.63 1smy n ASN 124 Cb 0.31 -0.68 -0.08 0.00 1.24 0.00 0.00 39.78 40.57 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 2.86 -0.67 0.00 1.20 0.11 -1.90 -3.06 132.00 130.54 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 0.59 0.15 0.00 0.00 0.11 0.00 0.00 31.00 31.85 1smy h PRO 125 CO 1.02 -0.45 0.00 -0.25 -0.21 0.00 0.00 178.00 178.11 1smy n ASP 126 N -5.48 0.00 -4.68 -2.05 8.00 -1.26 -1.00 116.55 110.08 1smy n ASP 126 Ca -0.08 -0.97 -0.45 0.00 0.71 0.00 0.00 54.79 54.00 1smy n ASP 126 Cb 0.39 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.45 1smy n ASP 126 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 1smy n LEU 127 N -0.87 3.38 -4.69 0.64 7.94 -1.15 -4.77 117.00 117.47 1smy n LEU 127 Ca 0.14 1.07 -0.42 0.00 -1.11 0.00 0.00 56.01 55.69 1smy n LEU 127 Cb 0.06 -1.47 -0.03 0.00 0.53 0.00 0.00 43.42 42.52 1smy n LEU 127 CO 0.10 -0.14 0.79 -2.28 -1.11 0.00 0.00 177.39 174.76 1smy s HIS 128 N 1.09 3.50 -0.07 1.96 5.65 -1.26 -2.39 115.29 123.77 1smy s HIS 128 Ca 0.78 1.54 0.03 0.00 0.25 0.00 0.00 55.06 57.67 1smy s HIS 128 Cb -0.62 -3.22 -0.07 0.00 -1.18 0.00 0.00 32.58 27.49 1smy s HIS 128 CO 0.36 -0.41 -0.02 -0.89 -0.65 0.00 0.00 174.74 173.13 1smy n ILE 129 N 4.34 0.45 -3.61 0.89 2.08 -1.07 -4.90 119.36 117.54 1smy n ILE 129 Ca 0.08 -0.23 -0.03 0.00 0.56 0.00 0.00 62.75 63.14 1smy n ILE 129 Cb 0.49 -0.81 -0.02 0.00 -0.75 0.00 0.00 39.64 38.55 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 -2.16 -2.14 -0.34 -1.39 0.00 -1.20 -4.78 121.76 109.75 1smy s ALA 130 Ca -0.07 1.57 0.04 0.00 0.00 0.00 0.00 51.96 53.51 1smy s ALA 130 Cb 0.02 -0.13 0.10 0.00 0.00 0.00 0.00 23.12 23.11 1smy s ALA 130 CO 0.23 -0.64 0.05 0.95 0.00 0.00 0.00 175.76 176.35 1smy s THR 131 N -2.30 2.21 0.19 0.00 -4.23 -1.26 -2.38 115.64 107.86 1smy s THR 131 Ca 0.11 -2.31 -0.20 0.00 -1.18 0.00 0.00 61.69 58.11 1smy s THR 131 Cb -0.00 -2.64 -0.08 0.00 1.34 0.00 0.00 72.50 71.12 1smy s THR 131 CO -0.04 -0.61 0.70 -0.76 -0.54 0.00 0.00 174.62 173.38 1smy s LEU 132 N 0.93 4.42 0.00 4.79 1.02 -0.28 -3.60 118.68 125.96 1smy s LEU 132 Ca 0.11 1.42 0.00 0.00 0.02 0.00 0.00 54.13 55.68 1smy s LEU 132 Cb -0.19 -3.42 0.00 0.00 0.02 0.00 0.00 46.19 42.60 1smy s LEU 132 CO -0.09 0.10 0.00 1.21 0.02 0.00 0.00 176.35 177.60 1smy n GLU 133 N 1.03 3.84 -2.24 1.70 4.07 -0.02 -2.11 120.64 126.92 1smy n GLU 133 Ca -0.04 0.00 -0.41 0.00 -0.06 0.00 0.00 57.16 56.65 1smy n GLU 133 Cb 0.51 0.00 -0.03 0.00 -0.06 0.00 0.00 31.44 31.86 1smy n GLU 133 CO 0.00 0.00 0.00 -1.83 -0.06 0.00 0.00 177.13 175.24 1smy s GLU 134 N 2.15 4.41 -1.47 5.31 1.03 -1.26 -2.95 118.70 125.92 1smy s GLU 134 Ca 0.00 2.05 -0.02 0.00 0.03 0.00 0.00 54.97 57.03 1smy s GLU 134 Cb 0.00 -3.17 0.00 0.00 -0.80 0.00 0.00 34.13 30.16 1smy s GLU 134 CO 0.00 -0.18 0.25 0.41 -1.33 0.00 0.00 175.26 174.40 1smy n GLY 135 N 1.95 -0.38 3.35 -3.83 0.00 -1.26 -4.67 105.19 100.35 1smy n GLY 135 Ca 0.04 -0.06 -0.45 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.44 1.93 0.00 -0.02 0.00 -1.15 -4.67 107.32 100.97 1smy s GLY 136 Ca 0.12 -2.35 -0.18 0.00 0.00 0.00 0.00 44.72 42.31 1smy s GLY 136 CO 0.15 1.38 0.52 -1.60 0.00 0.00 0.00 173.10 173.55 1smy s ARG 137 N 2.15 4.18 -0.34 2.90 3.52 -1.26 -3.38 118.95 126.71 1smy s ARG 137 Ca 0.07 0.60 0.03 0.00 -0.13 0.00 0.00 55.73 56.30 1smy s ARG 137 Cb -0.27 -3.29 0.15 0.00 -1.56 0.00 0.00 34.95 29.98 1smy s ARG 137 CO 0.05 0.50 0.38 -1.17 -0.81 0.00 0.00 175.30 174.26 1smy s LEU 138 N -0.57 -0.32 -0.25 -0.88 0.20 -1.04 -4.95 118.68 110.86 1smy s LEU 138 Ca 0.28 -1.17 -0.01 0.00 0.69 0.00 0.00 54.13 53.92 1smy s LEU 138 Cb -0.18 0.74 0.03 0.00 -0.43 0.00 0.00 46.19 46.36 1smy s LEU 138 CO 0.16 -0.29 -0.08 0.21 -0.29 0.00 0.00 176.35 176.05 1smy s ASN 139 N 1.82 4.25 0.13 3.68 2.47 -1.26 -1.52 114.94 124.51 1smy s ASN 139 Ca 0.14 -0.96 -0.03 0.00 0.42 0.00 0.00 52.86 52.43 1smy s ASN 139 Cb -0.14 -1.63 -0.03 0.00 -1.45 0.00 0.00 41.25 38.00 1smy s ASN 139 CO -0.14 -0.13 0.11 0.00 -3.72 0.00 0.00 177.10 173.22 1smy s MET 140 N 1.28 0.96 -0.14 0.43 0.23 0.36 -0.39 119.30 122.03 1smy s MET 140 Ca -0.01 -1.34 -0.01 0.00 -1.03 0.00 0.00 55.69 53.29 1smy s MET 140 Cb -0.17 0.28 0.04 0.00 -1.53 0.00 0.00 34.83 33.45 1smy s MET 140 CO -0.05 -0.29 -0.01 -1.21 -2.03 0.00 0.00 175.02 171.43 1smy s GLU 141 N -4.01 0.96 -0.26 3.16 2.02 -0.66 -1.84 118.70 118.07 1smy s GLU 141 Ca 0.21 -0.29 -0.04 0.00 0.02 0.00 0.00 54.97 54.87 1smy s GLU 141 Cb 0.06 -1.70 0.01 0.00 0.10 0.00 0.00 34.13 32.60 1smy s GLU 141 CO 0.00 -0.45 -0.01 0.14 0.02 0.00 0.00 175.26 174.96 1smy s VAL 142 N 1.81 3.35 0.72 2.63 -7.23 -0.80 -1.24 120.40 119.63 1smy s VAL 142 Ca 0.02 -0.78 -0.13 0.00 -1.81 0.00 0.00 61.98 59.27 1smy s VAL 142 Cb -0.15 -2.66 0.03 0.00 0.56 0.00 0.00 36.38 34.16 1smy s VAL 142 CO -0.07 0.22 1.12 -0.60 -0.31 0.00 0.00 175.10 175.46 1smy s ARG 143 N 1.42 2.44 -0.09 4.82 3.52 0.15 -1.94 118.95 129.26 1smy s ARG 143 Ca 0.02 1.40 -0.04 0.00 -0.13 0.00 0.00 55.73 56.98 1smy s ARG 143 Cb -0.16 -1.90 0.04 0.00 -1.56 0.00 0.00 34.95 31.37 1smy s ARG 143 CO -0.02 -1.53 0.21 0.08 -0.81 0.00 0.00 175.30 173.23 1smy s VAL 144 N -2.46 -0.05 0.29 7.11 1.01 0.54 -3.03 120.40 123.80 1smy s VAL 144 Ca 0.66 0.16 0.03 0.00 0.00 0.00 0.00 61.98 62.83 1smy s VAL 144 Cb -0.21 -0.33 -0.06 0.00 0.00 0.00 0.00 36.38 35.78 1smy s VAL 144 CO 0.47 0.07 0.07 -1.81 0.00 0.00 0.00 175.10 173.89 1smy s ASP 145 N 1.27 1.79 -0.30 3.32 1.11 -1.19 -0.42 116.67 122.25 1smy s ASP 145 Ca -0.09 -1.36 -0.07 0.00 0.18 0.00 0.00 52.55 51.21 1smy s ASP 145 Cb -0.11 0.03 0.01 0.00 1.07 0.00 0.00 42.92 43.92 1smy s ASP 145 CO -0.08 -0.65 0.08 0.00 1.18 0.00 0.00 175.17 175.70 1smy s ARG 146 N -3.95 3.10 0.00 8.23 1.70 -0.97 -2.80 118.95 124.25 1smy s ARG 146 Ca 0.36 -0.85 0.00 0.00 -0.47 0.00 0.00 55.73 54.77 1smy s ARG 146 Cb 0.08 -3.37 0.00 0.00 -0.57 0.00 0.00 34.95 31.09 1smy s ARG 146 CO 0.14 -0.44 0.00 0.41 -1.08 0.00 0.00 175.30 174.33 1smy n GLY 147 N 4.87 4.77 2.94 3.88 0.00 -0.57 -4.93 105.19 116.15 1smy n GLY 147 Ca -0.14 -1.31 -0.13 0.00 0.00 0.00 0.00 46.02 44.43 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 -1.37 -0.03 0.00 1.61 -7.23 -1.26 -0.50 120.40 111.61 1smy s VAL 148 Ca 0.00 0.13 0.00 0.00 -1.81 0.00 0.00 61.98 60.30 1smy s VAL 148 Cb 0.00 -0.22 0.00 0.00 0.56 0.00 0.00 36.38 36.72 1smy s VAL 148 CO 0.00 0.05 0.00 0.61 -0.31 0.00 0.00 175.10 175.45 1smy n GLY 149 N 3.85 -0.66 3.50 2.32 0.00 -0.66 -4.84 105.19 108.70 1smy n GLY 149 Ca -0.22 -1.14 -0.34 0.00 0.00 0.00 0.00 46.02 44.32 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 2.96 -0.25 1.61 5.04 -1.26 -3.29 117.35 122.16 1smy s TYR 150 Ca 0.00 -0.28 -0.00 0.00 -2.44 0.00 0.00 57.07 54.35 1smy s TYR 150 Cb 0.00 -1.87 0.07 0.00 0.35 0.00 0.00 41.96 40.51 1smy s TYR 150 CO 0.00 0.03 0.01 0.08 -1.34 0.00 0.00 175.55 174.33 1smy s VAL 151 N 0.06 1.22 0.40 3.14 1.01 -0.26 -4.98 120.40 120.98 1smy s VAL 151 Ca -0.01 -1.20 -0.27 0.00 0.00 0.00 0.00 61.98 60.50 1smy s VAL 151 Cb -0.14 -1.66 -0.10 0.00 0.00 0.00 0.00 36.38 34.48 1smy s VAL 151 CO 0.03 -0.29 1.38 -2.65 0.00 0.00 0.00 175.10 173.57 1smy n PRO 152 N 4.76 2.28 0.29 2.72 -0.02 -1.26 0.26 135.00 144.03 1smy n PRO 152 Ca -0.08 0.81 0.18 0.00 -2.02 0.00 0.00 63.50 62.39 1smy n PRO 152 Cb 0.44 -2.52 0.90 0.00 -0.02 0.00 0.00 33.50 32.30 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 2.50 1.41 -0.11 3.55 0.00 -1.88 0.55 119.26 125.27 1smy h ALA 153 Ca -0.49 -0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.22 1smy h ALA 153 Cb 1.27 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1smy h ALA 153 CO 0.62 -0.29 -0.75 0.93 0.00 0.00 0.00 179.25 179.76 1smy h GLU 154 N 0.00 0.57 0.12 0.00 5.08 -1.91 -2.58 114.58 115.86 1smy h GLU 154 Ca 0.03 -0.47 -0.01 0.00 -1.00 0.00 0.00 59.36 57.92 1smy h GLU 154 Cb 0.54 0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.88 1smy h GLU 154 CO -0.00 1.09 -0.06 -0.22 -1.00 0.00 0.00 179.01 178.82 1smy h LYS 155 N 0.39 -0.15 0.00 2.33 3.64 -0.22 -3.37 116.57 119.18 1smy h LYS 155 Ca -0.04 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.33 1smy h LYS 155 Cb 1.35 0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 33.20 1smy h LYS 155 CO 0.14 0.15 -0.18 1.12 -2.27 0.00 0.00 179.45 178.40 1smy h HIS 156 N -0.45 0.00 -5.13 1.91 2.07 -1.65 -3.50 115.15 108.40 1smy h HIS 156 Ca -0.02 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.50 1smy h HIS 156 Cb 0.37 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.35 1smy h HIS 156 CO 0.02 0.40 -0.01 0.41 -3.07 0.00 0.00 177.93 175.69 1smy n GLY 157 N 1.68 -1.14 3.76 6.13 0.00 -0.97 -4.96 105.19 109.68 1smy n GLY 157 Ca -0.07 0.40 -0.35 0.00 0.00 0.00 0.00 46.02 46.00 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 -3.00 2.85 -0.48 -0.61 -1.09 -1.26 -5.02 121.20 112.58 1smy s ILE 158 Ca 0.00 0.50 0.07 0.00 -2.23 0.00 0.00 60.65 58.99 1smy s ILE 158 Cb -0.00 -3.16 0.23 0.00 -1.58 0.00 0.00 42.46 37.95 1smy s ILE 158 CO 0.67 -0.14 0.55 2.29 -1.23 0.00 0.00 174.94 177.09 1smy n LYS 159 N -1.67 1.19 -0.00 2.79 0.00 -1.26 -4.72 118.16 114.49 1smy n LYS 159 Ca 0.13 -3.69 -0.00 0.00 -0.00 0.00 0.00 58.31 54.75 1smy n LYS 159 Cb 0.50 -1.63 -0.00 0.00 -0.00 0.00 0.00 35.03 33.90 1smy n LYS 159 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.40 176.96 1smy h ASP 160 N 4.39 0.00 -3.80 -5.58 5.19 -1.96 -3.46 116.42 111.20 1smy h ASP 160 Ca 0.14 0.00 -0.68 0.00 -0.62 0.00 0.00 57.03 55.87 1smy h ASP 160 Cb 0.82 0.00 -0.23 0.00 0.18 0.00 0.00 39.33 40.10 1smy h ASP 160 CO 0.56 0.01 -0.75 -0.13 -3.12 0.00 0.00 179.24 175.82 1smy s ARG 161 N -1.01 2.76 0.48 3.56 0.52 -1.26 -5.02 118.95 118.98 1smy s ARG 161 Ca -0.00 -0.66 0.29 0.00 -0.52 0.00 0.00 55.73 54.84 1smy s ARG 161 Cb 0.00 -2.49 1.36 0.00 0.52 0.00 0.00 34.95 34.34 1smy s ARG 161 CO 0.00 0.54 1.79 0.97 0.02 0.00 0.00 175.30 178.63 1smy h ILE 162 N 4.55 0.46 -0.01 1.52 2.10 -1.98 0.34 117.51 124.49 1smy h ILE 162 Ca -0.43 -0.06 0.00 0.00 1.08 0.00 0.00 64.86 65.46 1smy h ILE 162 Cb 1.17 0.28 0.00 0.00 -1.09 0.00 0.00 36.82 37.18 1smy h ILE 162 CO 0.52 0.03 -0.29 0.59 -1.08 0.00 0.00 178.15 177.92 1smy n ASN 163 N -4.38 0.81 -4.56 2.19 5.03 -1.26 -4.93 115.26 108.15 1smy n ASN 163 Ca 0.25 -0.67 -0.29 0.00 0.87 0.00 0.00 54.58 54.74 1smy n ASN 163 Cb 1.08 0.12 0.22 0.00 -1.02 0.00 0.00 39.78 40.18 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 -2.63 0.22 -0.03 5.41 0.00 0.12 -4.61 121.76 120.24 1smy s ALA 164 Ca 0.21 0.03 0.02 0.00 0.00 0.00 0.00 51.96 52.22 1smy s ALA 164 Cb 0.19 -3.28 0.01 0.00 0.00 0.00 0.00 23.12 20.04 1smy s ALA 164 CO 0.56 -3.42 -0.07 0.42 0.00 0.00 0.00 175.76 173.25 1smy s ILE 165 N -2.57 0.62 0.30 0.00 1.01 0.13 -4.97 121.20 115.73 1smy s ILE 165 Ca 0.67 -0.24 -0.27 0.00 0.00 0.00 0.00 60.65 60.81 1smy s ILE 165 Cb -0.23 -0.59 -0.09 0.00 0.01 0.00 0.00 42.46 41.55 1smy s ILE 165 CO 0.62 0.22 0.97 -2.84 0.00 0.00 0.00 174.94 173.91 1smy s PRO 166 N 0.42 4.62 0.15 2.79 0.02 -1.26 -1.08 135.00 140.66 1smy s PRO 166 Ca -0.06 1.45 0.10 0.00 0.02 0.00 0.00 61.00 62.51 1smy s PRO 166 Cb -0.10 -2.96 -0.04 0.00 0.02 0.00 0.00 34.50 31.42 1smy s PRO 166 CO 0.00 0.29 -0.18 0.08 -0.33 0.00 0.00 177.00 176.87 1smy s VAL 167 N -1.44 2.79 0.20 3.83 1.01 -1.12 -4.82 120.40 120.84 1smy s VAL 167 Ca 0.48 -1.65 -0.31 0.00 0.00 0.00 0.00 61.98 60.50 1smy s VAL 167 Cb -0.23 -2.31 -0.10 0.00 0.00 0.00 0.00 36.38 33.74 1smy s VAL 167 CO 0.29 0.01 1.53 -1.81 0.00 0.00 0.00 175.10 175.12 1smy s ASP 168 N -2.39 6.59 -0.23 3.32 1.01 -1.26 -4.06 116.67 119.65 1smy s ASP 168 Ca 0.20 2.65 -0.20 0.00 0.71 0.00 0.00 52.55 55.91 1smy s ASP 168 Cb -0.10 -2.60 -0.02 0.00 1.01 0.00 0.00 42.92 41.21 1smy s ASP 168 CO 0.11 -0.79 0.62 0.00 0.21 0.00 0.00 175.17 175.32 1smy s ALA 169 N 0.73 3.59 -0.63 5.23 0.00 0.14 -4.86 121.76 125.96 1smy s ALA 169 Ca 0.66 -0.38 0.06 0.00 0.00 0.00 0.00 51.96 52.30 1smy s ALA 169 Cb -0.43 -3.00 0.23 0.00 0.00 0.00 0.00 23.12 19.92 1smy s ALA 169 CO 0.36 -0.71 0.68 1.33 0.00 0.00 0.00 175.76 177.41 1smy n VAL 170 N 5.01 1.95 -0.03 0.00 0.24 -1.26 -1.11 118.33 123.13 1smy n VAL 170 Ca -0.01 -5.04 -0.14 0.00 -2.04 0.00 0.00 64.34 57.11 1smy n VAL 170 Cb 0.49 -2.10 -0.10 0.00 -1.47 0.00 0.00 33.84 30.66 1smy n VAL 170 CO 0.00 0.00 0.00 -0.26 -2.14 0.00 0.00 176.83 174.43 1smy h PHE 171 N 4.43 0.22 0.00 6.34 0.04 -1.78 -3.39 116.94 122.80 1smy h PHE 171 Ca 0.18 -0.10 -0.71 0.00 2.80 0.00 0.00 57.97 60.15 1smy h PHE 171 Cb 0.70 -0.03 -0.05 0.00 2.20 0.00 0.00 35.95 38.77 1smy h PHE 171 CO 0.68 0.80 1.37 0.45 -0.60 0.00 0.00 178.31 181.01 1smy n SER 172 N -4.60 0.66 0.15 2.17 2.88 -1.26 -2.21 113.62 111.41 1smy n SER 172 Ca -0.09 0.58 0.12 0.00 -1.33 0.00 0.00 58.87 58.15 1smy n SER 172 Cb 0.42 -0.88 0.55 0.00 -0.75 0.00 0.00 64.21 63.55 1smy n SER 172 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 1smy n PRO 173 N 7.51 0.17 -2.66 -1.46 -0.02 -1.26 -4.62 135.00 132.66 1smy n PRO 173 Ca 0.56 0.54 -0.42 0.00 -2.02 0.00 0.00 63.50 62.16 1smy n PRO 173 Cb -0.03 -1.93 -0.03 0.00 -0.02 0.00 0.00 33.50 31.49 1smy n PRO 173 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1smy s VAL 174 N -3.45 4.58 -0.09 -1.45 1.01 -1.26 -0.48 120.40 119.27 1smy s VAL 174 Ca 0.01 1.94 -0.11 0.00 0.00 0.00 0.00 61.98 63.82 1smy s VAL 174 Cb 0.08 -4.24 -0.28 0.00 0.00 0.00 0.00 36.38 31.94 1smy s VAL 174 CO 0.30 0.20 0.53 0.03 0.00 0.00 0.00 175.10 176.16 1smy h ARG 175 N 6.39 0.31 -1.45 2.72 2.47 -1.14 -3.47 114.38 120.22 1smy h ARG 175 Ca -0.42 -0.53 0.10 0.00 -1.26 0.00 0.00 59.98 57.87 1smy h ARG 175 Cb 1.22 0.20 -0.27 0.00 -1.65 0.00 0.00 29.97 29.46 1smy h ARG 175 CO 0.75 1.25 0.59 -0.98 0.56 0.00 0.00 179.97 182.14 1smy s ARG 176 N -2.54 0.40 0.08 0.04 1.70 -1.25 -5.00 118.95 112.37 1smy s ARG 176 Ca -0.19 0.38 0.03 0.00 -0.47 0.00 0.00 55.73 55.48 1smy s ARG 176 Cb 0.06 0.19 -0.04 0.00 -0.57 0.00 0.00 34.95 34.59 1smy s ARG 176 CO 0.80 -0.07 0.05 0.08 -1.08 0.00 0.00 175.30 175.08 1smy s VAL 177 N -0.10 4.35 -0.26 4.99 1.01 -1.26 -2.26 120.40 126.88 1smy s VAL 177 Ca 0.04 -0.82 -0.06 0.00 0.00 0.00 0.00 61.98 61.14 1smy s VAL 177 Cb -0.04 -3.08 0.13 0.00 0.00 0.00 0.00 36.38 33.39 1smy s VAL 177 CO -0.07 0.14 0.51 0.00 0.00 0.00 0.00 175.10 175.68 1smy s ALA 178 N -1.34 -1.62 -0.02 5.51 0.00 -0.66 -4.98 121.76 118.64 1smy s ALA 178 Ca 0.27 1.69 0.06 0.00 0.00 0.00 0.00 51.96 53.98 1smy s ALA 178 Cb -0.12 -1.70 -0.01 0.00 0.00 0.00 0.00 23.12 21.29 1smy s ALA 178 CO 0.20 -1.03 -0.19 -0.59 0.00 0.00 0.00 175.76 174.15 1smy s PHE 179 N 2.73 1.77 0.09 0.00 -0.12 -1.26 0.96 117.98 122.16 1smy s PHE 179 Ca 0.05 -0.37 0.10 0.00 -0.05 0.00 0.00 56.93 56.66 1smy s PHE 179 Cb -0.13 -1.15 -0.04 0.00 -0.63 0.00 0.00 43.02 41.07 1smy s PHE 179 CO -0.17 -0.06 -0.26 -0.65 -0.05 0.00 0.00 175.22 174.03 1smy s GLN 180 N -0.36 1.53 -0.63 1.99 -0.21 -0.98 -4.97 119.66 116.02 1smy s GLN 180 Ca 0.05 -1.24 0.05 0.00 0.02 0.00 0.00 55.36 54.24 1smy s GLN 180 Cb -0.08 -1.89 0.17 0.00 1.00 0.00 0.00 33.01 32.20 1smy s GLN 180 CO -0.00 0.46 0.45 0.08 -2.12 0.00 0.00 175.29 174.17 1smy s VAL 181 N -0.96 2.30 -0.01 1.09 1.01 -1.26 -2.21 120.40 120.37 1smy s VAL 181 Ca 0.13 -3.89 -0.18 0.00 0.00 0.00 0.00 61.98 58.04 1smy s VAL 181 Cb -0.10 -2.52 -0.06 0.00 0.00 0.00 0.00 36.38 33.70 1smy s VAL 181 CO 0.04 -1.05 0.50 -1.83 0.00 0.00 0.00 175.10 172.76 1smy s GLU 182 N -1.09 4.15 0.67 2.72 -1.05 -1.22 -4.75 118.70 118.14 1smy s GLU 182 Ca 0.26 0.56 -0.17 0.00 -0.15 0.00 0.00 54.97 55.48 1smy s GLU 182 Cb -0.03 -3.29 -0.01 0.00 -0.44 0.00 0.00 34.13 30.35 1smy s GLU 182 CO -0.17 0.51 1.02 -0.25 0.95 0.00 0.00 175.26 177.32 1smy n ASP 183 N 2.33 0.84 -3.84 0.83 8.00 -1.26 -2.69 116.55 120.76 1smy n ASP 183 Ca -0.10 0.74 -0.12 0.00 0.71 0.00 0.00 54.79 56.02 1smy n ASP 183 Cb 0.51 -1.43 -0.11 0.00 -0.02 0.00 0.00 41.12 40.08 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 -1.64 0.04 -0.22 -3.53 -1.32 -0.63 -4.86 115.64 103.47 1smy s THR 184 Ca 0.76 -0.34 -0.04 0.00 -1.21 0.00 0.00 61.69 60.87 1smy s THR 184 Cb -0.37 -0.34 -0.01 0.00 -1.51 0.00 0.00 72.50 70.27 1smy s THR 184 CO 0.47 -0.18 -0.05 -0.13 -2.21 0.00 0.00 174.62 172.52 1smy s ARG 185 N -0.63 3.33 -0.46 7.08 0.52 -1.26 -3.74 118.95 123.79 1smy s ARG 185 Ca -0.07 -0.66 0.03 0.00 -0.52 0.00 0.00 55.73 54.51 1smy s ARG 185 Cb -0.04 -3.00 0.13 0.00 0.52 0.00 0.00 34.95 32.55 1smy s ARG 185 CO 0.01 -0.21 0.21 -1.17 0.02 0.00 0.00 175.30 174.16 1smy s LEU 186 N 1.47 3.84 0.00 2.53 0.20 -1.24 -5.06 118.68 120.41 1smy s LEU 186 Ca 0.05 -2.71 0.00 0.00 0.69 0.00 0.00 54.13 52.16 1smy s LEU 186 Cb -0.14 -1.44 0.00 0.00 -0.43 0.00 0.00 46.19 44.18 1smy s LEU 186 CO -0.04 -0.27 0.00 0.61 -0.29 0.00 0.00 176.35 176.36 1smy n GLY 187 N 3.48 1.76 0.22 7.98 0.00 -1.26 -4.06 105.19 113.32 1smy n GLY 187 Ca 0.05 -0.52 -0.04 0.00 0.00 0.00 0.00 46.02 45.51 1smy n GLY 187 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1smy h GLN 188 N 0.00 -0.06 -5.43 1.61 4.20 -2.04 -3.41 115.11 109.98 1smy h GLN 188 Ca 0.00 0.00 -0.62 0.00 0.06 0.00 0.00 58.65 58.09 1smy h GLN 188 Cb 0.00 0.01 -0.10 0.00 0.30 0.00 0.00 27.48 27.69 1smy h GLN 188 CO 0.00 -0.04 -0.47 -0.98 -0.67 0.00 0.00 178.83 176.67 1smy s ARG 189 N -6.18 3.93 -0.11 1.46 1.70 -1.26 -5.01 118.95 113.48 1smy s ARG 189 Ca -0.14 -0.15 0.02 0.00 -0.47 0.00 0.00 55.73 54.98 1smy s ARG 189 Cb 0.15 -3.34 -0.24 0.00 -0.57 0.00 0.00 34.95 30.96 1smy s ARG 189 CO 0.71 0.47 0.38 0.25 -1.08 0.00 0.00 175.30 176.03 1smy n THR 190 N 2.95 1.68 -1.67 4.99 -2.24 -1.26 -3.64 114.28 115.09 1smy n THR 190 Ca -0.17 -0.71 -0.16 0.00 -2.27 0.00 0.00 64.05 60.74 1smy n THR 190 Cb 0.53 -1.41 -0.07 0.00 -2.10 0.00 0.00 70.33 67.29 1smy n THR 190 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 1smy s ASP 191 N -6.59 4.14 -0.08 3.42 -4.77 -1.26 -4.26 116.67 107.26 1smy s ASP 191 Ca -0.17 -0.09 -0.03 0.00 -3.30 0.00 0.00 52.55 48.96 1smy s ASP 191 Cb 0.07 -2.55 0.04 0.00 -1.09 0.00 0.00 42.92 39.39 1smy s ASP 191 CO 0.77 -3.66 0.09 -0.76 0.70 0.00 0.00 175.17 172.32 1smy s LEU 192 N 13.86 0.13 0.22 2.11 1.43 -1.25 -4.58 118.68 130.61 1smy s LEU 192 Ca 0.88 -0.01 -0.30 0.00 -1.03 0.00 0.00 54.13 53.66 1smy s LEU 192 Cb -0.12 -0.07 -0.10 0.00 0.03 0.00 0.00 46.19 45.94 1smy s LEU 192 CO 0.06 -0.27 1.42 -1.81 0.23 0.00 0.00 176.35 175.98 1smy s ASP 193 N 2.19 6.72 -0.57 2.29 1.11 -0.75 -1.61 116.67 126.05 1smy s ASP 193 Ca 0.04 2.57 0.04 0.00 0.18 0.00 0.00 52.55 55.38 1smy s ASP 193 Cb -0.13 -2.61 0.16 0.00 1.07 0.00 0.00 42.92 41.41 1smy s ASP 193 CO -0.05 -0.67 0.39 -0.75 1.18 0.00 0.00 175.17 175.28 1smy s LYS 194 N -0.03 1.80 0.36 8.23 2.20 -1.10 -2.14 119.74 129.07 1smy s LYS 194 Ca 0.60 -2.73 -0.27 0.00 -0.36 0.00 0.00 55.97 53.21 1smy s LYS 194 Cb -0.40 -2.68 -0.09 0.00 -1.51 0.00 0.00 37.83 33.14 1smy s LYS 194 CO 0.40 -1.28 1.27 -1.17 -0.36 0.00 0.00 175.35 174.21 1smy s LEU 195 N -0.65 4.34 -0.29 5.43 2.96 -1.20 -3.38 118.68 125.89 1smy s LEU 195 Ca 0.25 2.60 0.04 0.00 -0.22 0.00 0.00 54.13 56.80 1smy s LEU 195 Cb -0.07 -3.78 0.19 0.00 0.50 0.00 0.00 46.19 43.03 1smy s LEU 195 CO -0.13 -0.62 0.54 0.28 -1.32 0.00 0.00 176.35 175.10 1smy s THR 196 N -1.22 -0.91 -0.07 3.68 -1.32 -0.94 -1.65 115.64 113.22 1smy s THR 196 Ca 0.52 -0.07 -0.03 0.00 -1.21 0.00 0.00 61.69 60.91 1smy s THR 196 Cb -0.37 -0.99 -0.04 0.00 -1.51 0.00 0.00 72.50 69.59 1smy s THR 196 CO 0.49 -0.07 0.05 -1.48 -2.21 0.00 0.00 174.62 171.40 1smy s LEU 197 N 2.76 3.84 -0.21 9.08 0.05 -0.22 -2.31 118.68 131.67 1smy s LEU 197 Ca 0.11 0.22 -0.06 0.00 0.05 0.00 0.00 54.13 54.45 1smy s LEU 197 Cb -0.11 -1.99 -0.03 0.00 -2.05 0.00 0.00 46.19 42.01 1smy s LEU 197 CO -0.26 0.36 0.04 -0.13 -0.55 0.00 0.00 176.35 175.81 1smy s ARG 198 N -1.14 3.71 -0.07 1.48 0.52 0.27 -1.18 118.95 122.54 1smy s ARG 198 Ca 0.16 -0.46 0.03 0.00 -0.52 0.00 0.00 55.73 54.94 1smy s ARG 198 Cb -0.12 -3.20 -0.02 0.00 0.52 0.00 0.00 34.95 32.13 1smy s ARG 198 CO 0.06 -0.00 -0.16 0.42 0.02 0.00 0.00 175.30 175.63 1smy s ILE 199 N 1.09 2.82 -0.06 1.52 1.01 0.25 -1.65 121.20 126.19 1smy s ILE 199 Ca 0.03 -0.79 0.02 0.00 0.00 0.00 0.00 60.65 59.92 1smy s ILE 199 Cb -0.14 -2.11 -0.03 0.00 0.01 0.00 0.00 42.46 40.19 1smy s ILE 199 CO 0.03 0.57 -0.11 0.26 0.00 0.00 0.00 174.94 175.69 1smy s TRP 200 N -0.30 2.81 -0.06 3.97 0.51 -0.96 -0.39 118.94 124.53 1smy s TRP 200 Ca 0.02 -0.07 -0.06 0.00 -2.12 0.00 0.00 56.10 53.86 1smy s TRP 200 Cb -0.13 -1.66 0.02 0.00 -0.81 0.00 0.00 33.47 30.88 1smy s TRP 200 CO 0.03 0.26 0.17 0.99 -0.51 0.00 0.00 176.95 177.89 1smy s THR 201 N -0.78 0.01 0.58 2.01 2.01 0.07 -0.65 115.64 118.90 1smy s THR 201 Ca 0.12 -0.07 0.39 0.00 0.31 0.00 0.00 61.69 62.44 1smy s THR 201 Cb -0.11 -0.27 0.39 0.00 0.01 0.00 0.00 72.50 72.52 1smy s THR 201 CO 0.01 -0.04 2.18 -2.24 -0.69 0.00 0.00 174.62 173.85 1smy h ASP 202 N 5.71 0.00 0.00 3.53 2.03 -1.08 -3.36 116.42 123.25 1smy h ASP 202 Ca -0.26 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.04 1smy h ASP 202 Cb 1.20 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.70 1smy h ASP 202 CO 0.40 0.00 0.00 0.61 -1.03 0.00 0.00 179.24 179.22 1smy n GLY 203 N -1.14 2.92 0.39 7.15 0.00 -1.26 -4.97 105.19 108.28 1smy n GLY 203 Ca -0.03 -0.87 -0.11 0.00 0.00 0.00 0.00 46.02 45.01 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 -1.71 -5.51 1.61 0.87 -1.90 -3.42 113.55 105.50 1smy h SER 204 Ca 0.00 0.24 -0.45 0.00 -1.23 0.00 0.00 61.79 60.34 1smy h SER 204 Cb 0.00 0.72 -0.03 0.00 -0.44 0.00 0.00 62.40 62.65 1smy h SER 204 CO 0.00 -0.31 -0.19 1.33 -0.53 0.00 0.00 176.83 177.13 1smy n VAL 205 N -5.01 0.00 -4.49 2.23 0.24 -1.26 -5.09 118.33 104.95 1smy n VAL 205 Ca -0.02 -1.73 -0.25 0.00 -2.04 0.00 0.00 64.34 60.31 1smy n VAL 205 Cb 0.28 -0.20 -0.10 0.00 -1.47 0.00 0.00 33.84 32.35 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 -2.16 2.43 0.07 3.34 -1.32 -1.26 -4.77 115.64 111.97 1smy s THR 206 Ca 0.29 -2.32 -0.23 0.00 -1.21 0.00 0.00 61.69 58.22 1smy s THR 206 Cb -0.02 -2.43 -0.09 0.00 -1.51 0.00 0.00 72.50 68.44 1smy s THR 206 CO 0.18 -0.33 1.37 -0.65 -2.21 0.00 0.00 174.62 172.98 1smy h PRO 207 N 2.17 -0.44 -0.78 7.08 0.11 -1.79 0.14 132.00 138.49 1smy h PRO 207 Ca -0.41 0.03 0.12 0.00 0.11 0.00 0.00 66.00 65.85 1smy h PRO 207 Cb 1.26 0.10 -0.13 0.00 0.11 0.00 0.00 31.00 32.33 1smy h PRO 207 CO 0.64 -0.29 -0.39 -0.07 -0.21 0.00 0.00 178.00 177.67 1smy h LEU 208 N -0.46 -1.39 0.17 2.35 -0.00 -1.94 0.41 115.31 114.46 1smy h LEU 208 Ca 0.01 0.27 0.01 0.00 -0.00 0.00 0.00 57.88 58.17 1smy h LEU 208 Cb 0.49 0.69 -0.04 0.00 -0.00 0.00 0.00 40.66 41.79 1smy h LEU 208 CO -0.24 -0.30 -0.52 -0.33 -0.00 0.00 0.00 178.44 177.05 1smy h GLU 209 N -0.10 -0.76 -0.68 1.13 5.08 -1.83 -1.27 114.58 116.15 1smy h GLU 209 Ca 0.26 0.05 0.13 0.00 -1.00 0.00 0.00 59.36 58.81 1smy h GLU 209 Cb 0.56 0.17 -0.13 0.00 0.50 0.00 0.00 28.75 29.86 1smy h GLU 209 CO -0.82 -0.51 -0.26 0.00 -1.00 0.00 0.00 179.01 176.43 1smy h ALA 210 N -0.56 0.24 -0.20 3.43 0.00 0.59 0.06 119.26 122.82 1smy h ALA 210 Ca -0.01 0.23 0.04 0.00 0.00 0.00 0.00 54.91 55.17 1smy h ALA 210 Cb 0.78 0.67 -0.03 0.00 0.00 0.00 0.00 17.79 19.20 1smy h ALA 210 CO -0.26 -0.53 -0.03 1.25 0.00 0.00 0.00 179.25 179.68 1smy h LEU 211 N -0.07 -0.14 -0.19 0.00 5.85 -0.54 0.14 115.31 120.36 1smy h LEU 211 Ca 0.30 0.05 0.05 0.00 0.84 0.00 0.00 57.88 59.12 1smy h LEU 211 Cb 0.54 0.10 -0.06 0.00 0.37 0.00 0.00 40.66 41.62 1smy h LEU 211 CO -0.73 -0.04 -0.17 0.78 -0.34 0.00 0.00 178.44 177.93 1smy h ASN 212 N 0.03 -0.55 -0.37 1.25 -0.26 0.09 -0.48 115.58 115.28 1smy h ASN 212 Ca 0.09 0.11 0.04 0.00 -0.56 0.00 0.00 56.30 55.98 1smy h ASN 212 Cb 0.13 0.27 -0.04 0.00 -1.06 0.00 0.00 38.32 37.62 1smy h ASN 212 CO -0.18 -0.22 0.13 1.56 -1.06 0.00 0.00 177.43 177.66 1smy h GLN 213 N -0.19 0.27 0.14 0.81 4.20 -0.58 -2.19 115.11 117.58 1smy h GLN 213 Ca 0.12 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.81 1smy h GLN 213 Cb 0.36 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 28.05 1smy h GLN 213 CO -0.30 0.18 -0.37 0.00 -0.67 0.00 0.00 178.83 177.67 1smy h ALA 214 N 1.24 -0.91 -0.82 3.87 0.00 0.07 -1.31 119.26 121.41 1smy h ALA 214 Ca 0.17 -0.09 0.20 0.00 0.00 0.00 0.00 54.91 55.19 1smy h ALA 214 Cb 0.14 0.73 -0.05 0.00 0.00 0.00 0.00 17.79 18.62 1smy h ALA 214 CO -0.17 -0.98 0.56 -0.39 0.00 0.00 0.00 179.25 178.27 1smy h VAL 215 N -0.57 0.66 -0.06 0.00 -1.51 -0.96 -0.85 116.25 112.96 1smy h VAL 215 Ca -0.01 -0.07 -0.02 0.00 -1.23 0.00 0.00 66.70 65.37 1smy h VAL 215 Cb 0.55 0.43 -0.00 0.00 -2.13 0.00 0.00 31.29 30.15 1smy h VAL 215 CO -0.17 0.04 -0.03 -0.08 -1.23 0.00 0.00 177.57 176.10 1smy h GLU 216 N 0.21 0.13 -0.93 5.19 4.57 -0.73 -0.93 114.58 122.09 1smy h GLU 216 Ca 0.41 -0.06 0.21 0.00 -1.18 0.00 0.00 59.36 58.74 1smy h GLU 216 Cb 1.27 -0.00 -0.07 0.00 -0.16 0.00 0.00 28.75 29.78 1smy h GLU 216 CO -0.09 0.52 0.61 0.82 -1.18 0.00 0.00 179.01 179.69 1smy h ILE 217 N -0.27 0.66 0.36 2.32 2.04 -0.05 0.50 117.51 123.09 1smy h ILE 217 Ca 0.01 -0.15 -0.02 0.00 1.00 0.00 0.00 64.86 65.71 1smy h ILE 217 Cb 0.48 0.19 0.00 0.00 -0.74 0.00 0.00 36.82 36.76 1smy h ILE 217 CO 0.01 0.08 -0.17 0.25 0.00 0.00 0.00 178.15 178.31 1smy h LEU 218 N 0.43 -0.41 -0.60 1.44 5.85 -1.30 -1.76 115.31 118.96 1smy h LEU 218 Ca 0.49 -0.11 0.07 0.00 0.84 0.00 0.00 57.88 59.17 1smy h LEU 218 Cb 1.20 0.11 -0.10 0.00 0.37 0.00 0.00 40.66 42.23 1smy h LEU 218 CO -0.20 0.03 -0.52 -0.09 -0.34 0.00 0.00 178.44 177.32 1smy h ARG 219 N -1.02 -0.24 -0.87 1.25 2.43 0.34 0.42 114.38 116.69 1smy h ARG 219 Ca -0.05 0.02 0.17 0.00 -0.81 0.00 0.00 59.98 59.31 1smy h ARG 219 Cb 0.50 0.06 -0.10 0.00 -0.42 0.00 0.00 29.97 30.00 1smy h ARG 219 CO 0.08 -0.16 0.43 0.93 -1.51 0.00 0.00 179.97 179.74 1smy h GLU 220 N -0.25 0.54 -0.38 0.20 5.08 -0.15 0.12 114.58 119.74 1smy h GLU 220 Ca 0.13 -0.03 -0.10 0.00 -1.00 0.00 0.00 59.36 58.36 1smy h GLU 220 Cb 0.55 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.66 1smy h GLU 220 CO -0.71 0.36 -0.18 0.45 -1.00 0.00 0.00 179.01 177.93 1smy h HIS 221 N 0.55 0.81 0.00 4.33 3.86 0.56 -2.15 115.15 123.11 1smy h HIS 221 Ca 0.50 -0.17 0.00 0.00 -1.16 0.00 0.00 60.37 59.54 1smy h HIS 221 Cb 0.79 -0.20 0.00 0.00 1.06 0.00 0.00 27.41 29.06 1smy h HIS 221 CO -0.10 0.85 0.00 -0.07 0.86 0.00 0.00 177.93 179.47 1smy h LEU 222 N 0.64 0.00 0.00 2.43 3.38 0.24 -2.05 115.31 119.95 1smy h LEU 222 Ca 0.10 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.91 1smy h LEU 222 Cb 0.66 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.39 1smy h LEU 222 CO 0.05 0.00 -0.82 0.71 0.09 0.00 0.00 178.44 178.46 1smy h THR 223 N 0.00 1.22 0.00 0.22 1.35 -1.08 -3.29 112.91 111.33 1smy h THR 223 Ca 0.00 -2.76 0.00 0.00 -0.55 0.00 0.00 66.41 63.10 1smy h THR 223 Cb 0.07 2.59 0.00 0.00 -1.73 0.00 0.00 68.15 69.08 1smy h THR 223 CO 0.00 0.70 0.04 -1.22 -0.25 0.00 0.00 175.52 174.78 1smy n TYR 224 N -3.25 0.00 -1.01 4.73 4.01 -0.77 -2.27 117.16 118.60 1smy n TYR 224 Ca -0.00 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.54 1smy n TYR 224 Cb 0.85 -0.30 0.03 0.00 -0.31 0.00 0.00 39.34 39.60 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 1.76 -0.01 -0.72 0.99 -1.24 -4.56 117.46 112.39 1smy n PHE 225 Ca 0.00 -2.10 -0.01 0.00 -0.00 0.00 0.00 57.45 55.33 1smy n PHE 225 Cb 0.04 -1.06 -0.00 0.00 -1.00 0.00 0.00 39.48 37.45 1smy n PHE 225 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.76 175.63 1smy n SER 226 N 0.24 0.32 -4.51 4.37 3.41 -0.96 -4.91 113.62 111.58 1smy n SER 226 Ca 0.36 0.13 -0.43 0.00 -0.26 0.00 0.00 58.87 58.67 1smy n SER 226 Cb 0.58 -0.55 -0.06 0.00 -0.26 0.00 0.00 64.21 63.93 1smy n SER 226 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1smy s ASN 227 N -4.20 6.32 1.18 4.04 0.01 -1.26 -5.05 114.94 115.99 1smy s ASN 227 Ca -0.04 -0.42 -0.16 0.00 -0.71 0.00 0.00 52.86 51.53 1smy s ASN 227 Cb 0.01 -2.35 0.28 0.00 0.41 0.00 0.00 41.25 39.59 1smy s ASN 227 CO 0.06 -0.93 1.04 -2.84 -1.51 0.00 0.00 177.10 172.93 1smy s PRO 228 N 3.11 -1.03 0.00 -0.60 0.02 -1.26 -5.19 135.00 130.05 1smy s PRO 228 Ca 0.24 0.41 0.00 0.00 0.02 0.00 0.00 61.00 61.67 1smy s PRO 228 Cb -0.14 -1.58 0.00 0.00 0.02 0.00 0.00 34.50 32.80 1smy s PRO 228 CO 0.18 -3.68 0.00 0.94 -0.33 0.00 0.00 177.00 174.11