#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1slm h VAL 17 N 0.00 0.89 0.85 1.96 -1.51 -1.98 -0.85 116.25 115.60 1slm h VAL 17 Ca 0.00 -0.08 -0.04 0.00 -1.23 0.00 0.00 66.70 65.35 1slm h VAL 17 Cb 0.00 0.65 0.01 0.00 -2.13 0.00 0.00 31.29 29.82 1slm h VAL 17 CO 0.00 0.04 -0.41 -0.61 -1.23 0.00 0.00 177.57 175.36 1slm h GLN 18 N 0.22 -1.10 0.00 5.19 4.15 -2.03 -1.82 115.11 119.73 1slm h GLN 18 Ca 0.20 0.07 -0.05 0.00 0.77 0.00 0.00 58.65 59.64 1slm h GLN 18 Cb 0.52 0.25 -0.01 0.00 0.21 0.00 0.00 27.48 28.45 1slm h GLN 18 CO -0.04 -0.72 -0.25 1.57 -1.93 0.00 0.00 178.83 177.46 1slm h LYS 19 N -1.25 0.00 -0.66 1.69 2.10 -1.91 -0.65 116.57 115.88 1slm h LYS 19 Ca -0.12 0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 58.47 1slm h LYS 19 Cb 0.88 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 32.18 1slm h LYS 19 CO 0.19 0.25 0.16 -0.92 -2.00 0.00 0.00 179.45 177.14 1slm h TYR 20 N 0.00 1.12 0.00 0.07 5.03 -1.04 0.24 116.97 122.39 1slm h TYR 20 Ca -0.00 -0.13 -0.15 0.00 2.58 0.00 0.00 58.73 61.03 1slm h TYR 20 Cb 0.52 -0.31 -0.02 0.00 1.55 0.00 0.00 36.73 38.47 1slm h TYR 20 CO 0.00 0.92 -0.71 -0.07 -1.32 0.00 0.00 178.16 176.98 1slm h LEU 21 N 0.99 0.00 -0.24 2.82 3.38 -0.76 -1.69 115.31 119.80 1slm h LEU 21 Ca 0.21 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.08 1slm h LEU 21 Cb 0.36 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.11 1slm h LEU 21 CO 0.00 0.71 -0.25 -0.33 0.09 0.00 0.00 178.44 178.66 1slm h GLU 22 N 0.00 0.60 0.10 1.13 5.08 -0.60 -0.92 114.58 119.97 1slm h GLU 22 Ca -0.01 -0.32 -0.28 0.00 -1.00 0.00 0.00 59.36 57.75 1slm h GLU 22 Cb 1.34 0.01 0.02 0.00 0.50 0.00 0.00 28.75 30.63 1slm h GLU 22 CO 0.09 0.92 -1.19 -0.91 -1.00 0.00 0.00 179.01 176.91 1slm h ASN 23 N 0.31 0.77 0.00 1.42 -0.26 -0.56 -3.23 115.58 114.03 1slm h ASN 23 Ca 0.04 -0.71 0.00 0.00 -0.56 0.00 0.00 56.30 55.07 1slm h ASN 23 Cb 0.81 -0.24 0.00 0.00 -1.06 0.00 0.00 38.32 37.83 1slm h ASN 23 CO 0.06 1.52 -1.49 -1.22 -1.06 0.00 0.00 177.43 175.24 1slm n TYR 24 N -3.75 0.00 -2.37 1.19 4.01 -0.64 -4.48 117.16 111.11 1slm n TYR 24 Ca -0.12 0.00 -0.03 0.00 -0.16 0.00 0.00 57.90 57.59 1slm n TYR 24 Cb 0.96 -0.27 0.06 0.00 -0.31 0.00 0.00 39.34 39.78 1slm n TYR 24 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1slm n TYR 25 N -1.89 1.06 -2.76 -0.72 4.02 -0.37 -0.94 117.16 115.56 1slm n TYR 25 Ca -0.01 -1.63 -0.01 0.00 -0.01 0.00 0.00 57.90 56.24 1slm n TYR 25 Cb 0.41 -0.24 -0.00 0.00 -0.02 0.00 0.00 39.34 39.49 1slm n TYR 25 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 176.86 175.45 1slm n ASP 26 N -0.42 0.00 -4.77 7.72 5.68 -1.11 -4.82 116.55 118.84 1slm n ASP 26 Ca 0.17 -0.04 -0.38 0.00 -0.50 0.00 0.00 54.79 54.05 1slm n ASP 26 Cb 0.91 -0.05 -0.01 0.00 -1.14 0.00 0.00 41.12 40.84 1slm n ASP 26 CO 0.00 0.00 0.00 -0.22 -1.33 0.00 0.00 177.20 175.65 1slm s LEU 27 N -3.46 4.07 -0.44 -2.12 0.20 -1.06 -4.82 118.68 111.05 1slm s LEU 27 Ca 0.00 2.36 -0.40 0.00 0.69 0.00 0.00 54.13 56.79 1slm s LEU 27 Cb -0.00 -4.16 -0.17 0.00 -0.43 0.00 0.00 46.19 41.43 1slm s LEU 27 CO 0.03 -0.88 1.76 0.29 -0.29 0.00 0.00 176.35 177.26 1slm n LYS 28 N -0.32 0.00 0.27 1.98 5.02 -1.26 -4.69 118.16 119.15 1slm n LYS 28 Ca 0.06 0.00 0.14 0.00 -2.02 0.00 0.00 58.31 56.49 1slm n LYS 28 Cb 0.47 -1.33 0.74 0.00 -0.02 0.00 0.00 35.03 34.90 1slm n LYS 28 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 1slm h LYS 29 N 6.97 0.00 0.00 1.97 3.64 -1.96 -3.49 116.57 123.69 1slm h LYS 29 Ca -0.17 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.21 1slm h LYS 29 Cb 1.24 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.06 1slm h LYS 29 CO 0.94 0.10 -0.61 -0.40 -2.27 0.00 0.00 179.45 177.21 1slm n ASP 30 N -3.47 0.63 0.00 4.20 5.68 -1.26 -5.19 116.55 117.13 1slm n ASP 30 Ca -0.01 0.02 0.00 0.00 -0.50 0.00 0.00 54.79 54.30 1slm n ASP 30 Cb 0.25 0.21 0.00 0.00 -1.14 0.00 0.00 41.12 40.44 1slm n ASP 30 CO 0.00 0.00 0.00 -0.24 -1.33 0.00 0.00 177.20 175.63 1slm n SER 40 N -1.94 0.00 0.19 -1.12 2.88 -1.26 -5.31 113.62 107.05 1slm n SER 40 Ca 0.04 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.50 1slm n SER 40 Cb 0.41 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.84 1slm n SER 40 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 1slm h GLY 41 N 0.00 -0.57 0.57 0.46 0.00 -2.03 -2.58 103.07 98.91 1slm h GLY 41 Ca 0.00 0.22 0.16 0.00 0.00 0.00 0.00 47.33 47.71 1slm h GLY 41 CO 0.00 -0.20 0.54 -2.55 0.00 0.00 0.00 176.54 174.33 1slm h PRO 42 N -0.48 0.47 -0.21 4.80 0.11 -2.05 -2.17 132.00 132.46 1slm h PRO 42 Ca -0.05 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 65.96 1slm h PRO 42 Cb 0.38 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 31.38 1slm h PRO 42 CO 0.07 0.31 -0.16 0.28 -0.21 0.00 0.00 178.00 178.29 1slm h VAL 43 N 0.49 1.32 -0.72 3.15 2.07 -2.00 -2.25 116.25 118.31 1slm h VAL 43 Ca 0.41 -1.29 -0.01 0.00 0.82 0.00 0.00 66.70 66.64 1slm h VAL 43 Cb 0.88 1.69 -0.03 0.00 -1.52 0.00 0.00 31.29 32.30 1slm h VAL 43 CO -0.15 0.39 0.42 0.58 0.02 0.00 0.00 177.57 178.83 1slm h VAL 44 N 0.18 1.21 -0.57 2.57 2.07 -0.98 0.25 116.25 120.97 1slm h VAL 44 Ca 0.04 -0.47 -0.05 0.00 0.82 0.00 0.00 66.70 67.04 1slm h VAL 44 Cb 0.69 0.21 -0.02 0.00 -1.52 0.00 0.00 31.29 30.64 1slm h VAL 44 CO 0.04 0.22 0.17 0.50 0.02 0.00 0.00 177.57 178.52 1slm h LYS 45 N 0.99 0.89 -0.26 1.57 3.64 -1.35 -1.46 116.57 120.60 1slm h LYS 45 Ca 0.26 -0.20 -0.14 0.00 -1.27 0.00 0.00 60.65 59.30 1slm h LYS 45 Cb -0.02 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.67 1slm h LYS 45 CO -0.05 0.81 -0.43 0.87 -2.27 0.00 0.00 179.45 178.39 1slm h LYS 46 N 0.81 0.63 -0.93 1.90 1.79 -0.73 -1.18 116.57 118.86 1slm h LYS 46 Ca 0.18 -0.34 0.00 0.00 -2.18 0.00 0.00 60.65 58.32 1slm h LYS 46 Cb 0.29 0.01 -0.05 0.00 -1.58 0.00 0.00 32.23 30.91 1slm h LYS 46 CO -0.00 0.94 0.60 0.82 -1.08 0.00 0.00 179.45 180.72 1slm h ILE 47 N 0.51 1.24 -0.26 1.86 2.04 -0.29 -0.41 117.51 122.21 1slm h ILE 47 Ca 0.04 -0.47 -0.19 0.00 1.00 0.00 0.00 64.86 65.23 1slm h ILE 47 Cb 0.95 -0.10 0.00 0.00 -0.74 0.00 0.00 36.82 36.93 1slm h ILE 47 CO 0.09 0.24 -0.59 0.03 0.00 0.00 0.00 178.15 177.92 1slm h ARG 48 N 1.26 0.85 -0.64 2.37 3.08 -0.95 -1.11 114.38 119.25 1slm h ARG 48 Ca 0.34 -0.57 -0.01 0.00 0.07 0.00 0.00 59.98 59.81 1slm h ARG 48 Cb -0.12 0.08 -0.03 0.00 0.08 0.00 0.00 29.97 29.98 1slm h ARG 48 CO -0.07 1.20 0.35 1.49 -1.07 0.00 0.00 179.97 181.86 1slm h GLU 49 N 0.64 0.89 -0.59 0.04 4.81 -0.78 -0.74 114.58 118.85 1slm h GLU 49 Ca 0.00 -0.11 -0.03 0.00 -0.13 0.00 0.00 59.36 59.09 1slm h GLU 49 Cb 1.20 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 30.38 1slm h GLU 49 CO 0.13 0.68 0.24 1.98 -0.73 0.00 0.00 179.01 181.31 1slm h MET 50 N 0.87 0.87 -0.41 1.92 4.05 -0.98 -1.12 114.93 120.12 1slm h MET 50 Ca 0.22 -0.15 -0.07 0.00 -0.28 0.00 0.00 59.70 59.42 1slm h MET 50 Cb 0.05 -0.14 -0.02 0.00 -0.80 0.00 0.00 31.60 30.69 1slm h MET 50 CO -0.04 0.74 -0.05 1.96 0.23 0.00 0.00 176.91 179.76 1slm h GLN 51 N 0.81 0.68 -0.15 0.39 4.20 -0.81 -0.18 115.11 120.05 1slm h GLN 51 Ca 0.20 -0.19 -0.05 0.00 0.06 0.00 0.00 58.65 58.67 1slm h GLN 51 Cb 0.19 -0.08 -0.00 0.00 0.30 0.00 0.00 27.48 27.88 1slm h GLN 51 CO -0.02 0.73 -0.09 -0.22 -0.67 0.00 0.00 178.83 178.57 1slm h LYS 52 N 0.64 0.32 -0.36 1.46 1.63 -0.79 -0.31 116.57 119.16 1slm h LYS 52 Ca 0.12 -0.15 -0.05 0.00 -0.85 0.00 0.00 60.65 59.72 1slm h LYS 52 Cb 0.47 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 32.08 1slm h LYS 52 CO 0.02 0.66 0.03 0.35 -3.45 0.00 0.00 179.45 177.06 1slm h PHE 53 N -0.02 0.67 -0.19 1.91 3.04 -1.11 -3.21 116.94 118.03 1slm h PHE 53 Ca 0.03 -0.11 0.00 0.00 3.98 0.00 0.00 57.97 61.87 1slm h PHE 53 Cb 0.57 -0.18 0.00 0.00 2.56 0.00 0.00 35.95 38.91 1slm h PHE 53 CO 0.07 0.70 0.00 1.28 -2.02 0.00 0.00 178.31 178.34 1slm n LEU 54 N -4.52 1.10 -0.80 0.59 4.77 -0.09 -4.50 117.00 113.55 1slm n LEU 54 Ca -0.01 -0.53 -0.07 0.00 -0.03 0.00 0.00 56.01 55.36 1slm n LEU 54 Cb 0.25 -0.13 -0.01 0.00 -2.33 0.00 0.00 43.42 41.21 1slm n LEU 54 CO 0.39 0.27 -0.09 0.61 -1.33 0.00 0.00 177.39 177.24 1slm n GLY 55 N 0.86 0.18 0.81 -0.72 0.00 -1.13 -5.03 105.19 100.17 1slm n GLY 55 Ca 0.08 -0.60 -0.04 0.00 0.00 0.00 0.00 46.02 45.47 1slm n GLY 55 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1slm n LEU 56 N -1.02 0.00 -4.65 0.99 4.77 -0.14 -5.06 117.00 111.89 1slm n LEU 56 Ca -0.09 -0.52 -0.40 0.00 -0.03 0.00 0.00 56.01 54.97 1slm n LEU 56 Cb 0.52 -0.09 -0.06 0.00 -2.33 0.00 0.00 43.42 41.47 1slm n LEU 56 CO 0.10 -0.54 0.40 -1.61 -1.33 0.00 0.00 177.39 174.42 1slm s GLU 57 N -2.55 4.19 -1.11 3.23 2.02 -1.26 -4.65 118.70 118.58 1slm s GLU 57 Ca 0.13 0.63 -0.22 0.00 0.02 0.00 0.00 54.97 55.53 1slm s GLU 57 Cb -0.01 -3.60 -0.09 0.00 0.10 0.00 0.00 34.13 30.53 1slm s GLU 57 CO 0.08 -0.30 1.92 0.28 0.02 0.00 0.00 175.26 177.26 1slm n VAL 58 N 4.84 2.08 -0.05 2.63 0.31 -1.26 -4.61 118.33 122.28 1slm n VAL 58 Ca -0.01 -2.09 -0.05 0.00 -0.01 0.00 0.00 64.34 62.19 1slm n VAL 58 Cb 0.49 -2.22 -0.02 0.00 -0.91 0.00 0.00 33.84 31.19 1slm n VAL 58 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1slm n THR 59 N 7.27 0.76 0.00 2.52 -2.24 -1.26 -5.05 114.28 116.28 1slm n THR 59 Ca 0.46 0.32 0.00 0.00 -2.27 0.00 0.00 64.05 62.56 1slm n THR 59 Cb 0.45 -1.93 0.00 0.00 -2.10 0.00 0.00 70.33 66.75 1slm n THR 59 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1slm n GLY 60 N 1.49 1.12 3.50 3.38 0.00 -1.26 -4.97 105.19 108.44 1slm n GLY 60 Ca -0.07 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.69 1slm n GLY 60 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1slm s LYS 61 N 0.00 1.78 -1.23 1.61 2.20 -1.26 -4.73 119.74 118.10 1slm s LYS 61 Ca 0.00 -1.49 -0.18 0.00 -0.36 0.00 0.00 55.97 53.94 1slm s LYS 61 Cb 0.00 -1.95 -0.01 0.00 -1.51 0.00 0.00 37.83 34.36 1slm s LYS 61 CO 0.00 0.39 2.02 1.28 -0.36 0.00 0.00 175.35 178.68 1slm n LEU 62 N -0.09 5.40 -4.54 5.43 4.77 -1.26 -4.93 117.00 121.78 1slm n LEU 62 Ca -0.10 -3.70 -0.28 0.00 -0.03 0.00 0.00 56.01 51.90 1slm n LEU 62 Cb 0.57 -1.56 0.23 0.00 -2.33 0.00 0.00 43.42 40.33 1slm n LEU 62 CO 0.34 0.25 0.55 -1.81 -1.33 0.00 0.00 177.39 175.39 1slm s ASP 63 N 4.18 1.43 0.14 -1.43 1.01 -1.26 -4.74 116.67 116.01 1slm s ASP 63 Ca 0.53 1.45 -0.14 0.00 0.71 0.00 0.00 52.55 55.10 1slm s ASP 63 Cb 0.10 -2.20 0.01 0.00 1.01 0.00 0.00 42.92 41.85 1slm s ASP 63 CO 0.02 -3.91 1.64 0.77 0.21 0.00 0.00 175.17 173.90 1slm h SER 64 N -2.42 0.69 -0.33 0.27 4.64 -2.00 -1.78 113.55 112.62 1slm h SER 64 Ca -0.59 -0.23 -0.02 0.00 -0.47 0.00 0.00 61.79 60.47 1slm h SER 64 Cb 1.33 -0.18 -0.02 0.00 -0.31 0.00 0.00 62.40 63.22 1slm h SER 64 CO 0.52 0.75 0.14 0.44 -0.87 0.00 0.00 176.83 177.81 1slm h ASP 65 N 0.61 0.50 -0.09 4.97 5.19 -1.99 -2.40 116.42 123.21 1slm h ASP 65 Ca 0.14 -0.05 -0.07 0.00 -0.62 0.00 0.00 57.03 56.43 1slm h ASP 65 Cb 0.33 -0.13 0.00 0.00 0.18 0.00 0.00 39.33 39.71 1slm h ASP 65 CO 0.00 0.47 -0.22 0.74 -3.12 0.00 0.00 179.24 177.11 1slm h THR 66 N 0.55 1.40 0.00 0.35 2.02 -1.81 -2.38 112.91 113.05 1slm h THR 66 Ca 0.13 -1.55 -0.02 0.00 0.77 0.00 0.00 66.41 65.75 1slm h THR 66 Cb 0.13 2.18 -0.00 0.00 -1.74 0.00 0.00 68.15 68.72 1slm h THR 66 CO -0.01 0.44 -0.10 -0.07 0.37 0.00 0.00 175.52 176.15 1slm h LEU 67 N -0.16 0.00 -0.03 2.58 3.38 -1.21 -2.75 115.31 117.13 1slm h LEU 67 Ca -0.00 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 1slm h LEU 67 Cb 0.83 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.58 1slm h LEU 67 CO 0.05 0.10 -0.17 -0.08 0.09 0.00 0.00 178.44 178.43 1slm h GLU 68 N 0.00 0.16 -0.81 1.13 4.81 -1.35 -3.23 114.58 115.29 1slm h GLU 68 Ca -0.00 -0.14 0.13 0.00 -0.13 0.00 0.00 59.36 59.22 1slm h GLU 68 Cb 0.22 0.03 -0.06 0.00 0.63 0.00 0.00 28.75 29.57 1slm h GLU 68 CO 0.01 0.81 0.53 0.28 -0.73 0.00 0.00 179.01 179.91 1slm h VAL 69 N -0.43 0.87 0.00 0.32 2.07 -1.14 -0.75 116.25 117.18 1slm h VAL 69 Ca -0.01 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.30 1slm h VAL 69 Cb 0.84 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 30.80 1slm h VAL 69 CO 0.03 0.11 0.00 0.23 0.02 0.00 0.00 177.57 177.97 1slm n MET 70 N -4.52 0.05 0.00 1.57 2.81 -1.10 -2.23 117.12 113.71 1slm n MET 70 Ca 0.15 0.29 0.11 0.00 -1.81 0.00 0.00 57.70 56.43 1slm n MET 70 Cb 0.43 -1.59 -0.02 0.00 -0.71 0.00 0.00 33.22 31.33 1slm n MET 70 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1slm n ARG 71 N -1.69 0.74 -2.72 0.03 1.74 -0.29 -4.97 116.66 109.50 1slm n ARG 71 Ca 0.03 -0.60 -0.40 0.00 -0.77 0.00 0.00 57.85 56.11 1slm n ARG 71 Cb 0.19 -1.49 -0.06 0.00 -1.02 0.00 0.00 32.46 30.08 1slm n ARG 71 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1slm s LYS 72 N -2.68 4.84 0.32 5.56 1.02 -0.95 -4.65 119.74 123.21 1slm s LYS 72 Ca 0.15 1.52 -0.29 0.00 0.02 0.00 0.00 55.97 57.37 1slm s LYS 72 Cb 0.17 -3.27 -0.11 0.00 -0.52 0.00 0.00 37.83 34.10 1slm s LYS 72 CO 0.68 0.48 1.56 -0.35 -0.92 0.00 0.00 175.35 176.80 1slm n PRO 73 N 1.49 2.70 -3.47 -1.68 -0.04 -1.26 -4.65 135.00 128.09 1slm n PRO 73 Ca -0.02 0.96 -0.11 0.00 -0.04 0.00 0.00 63.50 64.28 1slm n PRO 73 Cb 0.47 -2.72 -0.02 0.00 -0.04 0.00 0.00 33.50 31.18 1slm n PRO 73 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 1slm n ARG 74 N 1.56 0.58 -3.05 0.54 1.85 0.12 -2.17 116.66 116.09 1slm n ARG 74 Ca 0.06 -2.20 -0.36 0.00 -1.00 0.00 0.00 57.85 54.35 1slm n ARG 74 Cb 0.37 2.15 -0.06 0.00 -1.05 0.00 0.00 32.46 33.87 1slm n ARG 74 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1slm n GLY 76 N 0.72 -1.39 3.74 0.00 0.00 0.19 -4.81 105.19 103.64 1slm n GLY 76 Ca -0.02 -0.04 -0.41 0.00 0.00 0.00 0.00 46.02 45.55 1slm n GLY 76 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1slm s VAL 77 N -3.07 3.57 0.91 1.61 1.01 -1.26 -4.97 120.40 118.20 1slm s VAL 77 Ca 0.10 1.40 -0.11 0.00 0.00 0.00 0.00 61.98 63.37 1slm s VAL 77 Cb 0.14 -3.89 0.13 0.00 0.00 0.00 0.00 36.38 32.76 1slm s VAL 77 CO 0.46 0.26 1.10 -0.81 0.00 0.00 0.00 175.10 176.10 1slm n PRO 78 N 2.09 -0.38 -0.01 2.72 -0.04 -1.26 -4.97 135.00 133.14 1slm n PRO 78 Ca 0.02 -0.04 -0.06 0.00 -0.04 0.00 0.00 63.50 63.38 1slm n PRO 78 Cb 0.45 -2.34 -0.13 0.00 -0.04 0.00 0.00 33.50 31.44 1slm n PRO 78 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1slm n ASP 79 N -3.91 0.81 -3.48 3.54 8.00 -0.11 -4.34 116.55 117.06 1slm n ASP 79 Ca 0.12 0.38 -0.36 0.00 0.71 0.00 0.00 54.79 55.63 1slm n ASP 79 Cb 0.52 0.07 -0.01 0.00 -0.02 0.00 0.00 41.12 41.69 1slm n ASP 79 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 1slm n VAL 80 N -2.98 4.91 0.00 2.53 0.24 -1.16 -4.74 118.33 117.13 1slm n VAL 80 Ca -0.16 -5.82 0.00 0.00 -2.04 0.00 0.00 64.34 56.32 1slm n VAL 80 Cb 1.00 -1.62 0.00 0.00 -1.47 0.00 0.00 33.84 31.75 1slm n VAL 80 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1slm n GLY 81 N 0.15 0.62 3.48 7.63 0.00 -1.26 -4.86 105.19 110.94 1slm n GLY 81 Ca 0.38 -1.68 -0.23 0.00 0.00 0.00 0.00 46.02 44.50 1slm n GLY 81 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1slm s HIS 82 N -3.16 2.05 -0.07 1.61 -3.43 -1.26 -4.65 115.29 106.39 1slm s HIS 82 Ca 0.00 -0.91 -0.30 0.00 -0.80 0.00 0.00 55.06 53.05 1slm s HIS 82 Cb 0.00 -1.36 -0.04 0.00 -1.43 0.00 0.00 32.58 29.74 1slm s HIS 82 CO 0.00 0.08 1.44 -0.06 -2.00 0.00 0.00 174.74 174.20 1slm s PHE 83 N -3.21 2.56 0.38 0.38 0.08 -1.26 -4.87 117.98 112.05 1slm s PHE 83 Ca 0.36 0.67 0.10 0.00 0.12 0.00 0.00 56.93 58.18 1slm s PHE 83 Cb 0.09 -3.70 0.76 0.00 -0.57 0.00 0.00 43.02 39.60 1slm s PHE 83 CO 0.16 -2.69 1.88 0.00 -0.10 0.00 0.00 175.22 174.47 1slm h ARG 84 N 8.51 0.16 -0.01 0.44 3.08 -1.98 -2.99 114.38 121.58 1slm h ARG 84 Ca -0.35 -0.04 -0.12 0.00 0.07 0.00 0.00 59.98 59.53 1slm h ARG 84 Cb 1.16 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 31.17 1slm h ARG 84 CO 0.94 0.38 -0.57 1.79 -1.07 0.00 0.00 179.97 181.44 1slm h THR 85 N 0.15 1.40 -2.16 2.04 1.35 -2.05 -3.37 112.91 110.27 1slm h THR 85 Ca 0.03 -1.94 -0.57 0.00 -0.55 0.00 0.00 66.41 63.37 1slm h THR 85 Cb 0.47 2.03 -0.39 0.00 -1.73 0.00 0.00 68.15 68.54 1slm h THR 85 CO 0.03 0.56 -1.04 0.49 -0.25 0.00 0.00 175.52 175.31 1slm n PHE 86 N -3.87 -0.48 -0.30 4.73 3.72 -1.17 -4.98 117.46 115.11 1slm n PHE 86 Ca -0.01 -3.48 -0.03 0.00 -0.05 0.00 0.00 57.45 53.87 1slm n PHE 86 Cb 0.58 -0.11 0.08 0.00 -0.94 0.00 0.00 39.48 39.09 1slm n PHE 86 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 1slm h PRO 87 N 4.67 1.06 0.00 -1.08 0.11 -1.71 -3.41 132.00 131.64 1slm h PRO 87 Ca 0.15 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 66.20 1slm h PRO 87 Cb 0.89 -0.24 0.00 0.00 0.11 0.00 0.00 31.00 31.76 1slm h PRO 87 CO 0.43 0.70 0.00 0.41 -0.21 0.00 0.00 178.00 179.34 1slm n GLY 88 N -1.33 -0.06 3.38 -0.55 0.00 -1.26 -4.62 105.19 100.76 1slm n GLY 88 Ca 0.09 -1.00 -0.24 0.00 0.00 0.00 0.00 46.02 44.87 1slm n GLY 88 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1slm s ILE 89 N 0.00 2.08 0.31 -0.61 -4.36 0.29 -4.99 121.20 113.91 1slm s ILE 89 Ca 0.00 -1.99 0.07 0.00 -0.26 0.00 0.00 60.65 58.47 1slm s ILE 89 Cb 0.00 -1.99 0.31 0.00 1.25 0.00 0.00 42.46 42.03 1slm s ILE 89 CO 0.00 -0.24 1.78 -0.65 0.24 0.00 0.00 174.94 176.07 1slm h PRO 90 N 3.18 0.70 -3.05 0.37 0.11 -1.89 -3.33 132.00 128.10 1slm h PRO 90 Ca -0.44 -0.04 0.01 0.00 0.11 0.00 0.00 66.00 65.64 1slm h PRO 90 Cb 1.21 -0.16 -0.09 0.00 0.11 0.00 0.00 31.00 32.07 1slm h PRO 90 CO 0.50 0.46 0.19 -1.59 -0.21 0.00 0.00 178.00 177.36 1slm s LYS 91 N -5.81 1.49 0.32 1.05 -2.85 -1.26 -4.61 119.74 108.06 1slm s LYS 91 Ca -0.11 -0.73 -0.28 0.00 -1.00 0.00 0.00 55.97 53.85 1slm s LYS 91 Cb 0.25 0.59 -0.10 0.00 -2.06 0.00 0.00 37.83 36.51 1slm s LYS 91 CO 0.80 -0.66 1.21 -1.58 0.10 0.00 0.00 175.35 175.22 1slm s TRP 92 N -3.83 3.24 -0.58 1.78 0.52 -1.26 -4.89 118.94 113.91 1slm s TRP 92 Ca 0.06 1.54 0.07 0.00 0.02 0.00 0.00 56.10 57.79 1slm s TRP 92 Cb -0.03 -3.50 0.42 0.00 -1.15 0.00 0.00 33.47 29.21 1slm s TRP 92 CO -0.04 -1.32 1.17 0.54 0.02 0.00 0.00 176.95 177.32 1slm n ARG 93 N 0.83 2.95 -3.65 4.98 1.74 -1.26 -4.83 116.66 117.42 1slm n ARG 93 Ca 0.00 -1.64 -0.14 0.00 -0.77 0.00 0.00 57.85 55.31 1slm n ARG 93 Cb 0.43 -1.88 -0.07 0.00 -1.02 0.00 0.00 32.46 29.92 1slm n ARG 93 CO 0.00 0.00 0.00 -1.59 -1.52 0.00 0.00 177.63 174.52 1slm s LYS 94 N -1.91 0.89 -0.00 5.56 -2.85 -1.26 -5.06 119.74 115.11 1slm s LYS 94 Ca 0.28 -0.19 0.22 0.00 -1.00 0.00 0.00 55.97 55.28 1slm s LYS 94 Cb 0.22 0.40 -0.17 0.00 -2.06 0.00 0.00 37.83 36.22 1slm s LYS 94 CO 0.08 -0.29 0.89 0.25 0.10 0.00 0.00 175.35 176.38 1slm n THR 95 N 0.78 0.02 -3.55 3.79 -2.24 -1.26 -4.79 114.28 107.03 1slm n THR 95 Ca -0.19 -0.10 -0.41 0.00 -2.27 0.00 0.00 64.05 61.08 1slm n THR 95 Cb 0.58 0.73 -0.09 0.00 -2.10 0.00 0.00 70.33 69.45 1slm n THR 95 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1slm s HIS 96 N -3.09 3.40 0.21 4.78 3.76 -1.26 -1.62 115.29 121.46 1slm s HIS 96 Ca 0.05 -1.78 0.05 0.00 -0.15 0.00 0.00 55.06 53.23 1slm s HIS 96 Cb 0.16 -3.42 -0.03 0.00 1.11 0.00 0.00 32.58 30.40 1slm s HIS 96 CO 0.86 -0.97 0.24 -0.51 -0.85 0.00 0.00 174.74 173.51 1slm s LEU 97 N 1.38 4.05 0.15 0.89 1.43 -0.51 -4.99 118.68 121.07 1slm s LEU 97 Ca 0.05 -0.06 0.11 0.00 -1.03 0.00 0.00 54.13 53.20 1slm s LEU 97 Cb -0.26 -2.61 -0.04 0.00 0.03 0.00 0.00 46.19 43.31 1slm s LEU 97 CO -0.00 -0.01 -0.23 0.42 0.23 0.00 0.00 176.35 176.76 1slm s THR 98 N -1.93 2.45 0.10 5.49 -4.23 -1.26 -1.70 115.64 114.56 1slm s THR 98 Ca 0.33 -1.78 0.01 0.00 -1.18 0.00 0.00 61.69 59.07 1slm s THR 98 Cb -0.09 -2.13 -0.04 0.00 1.34 0.00 0.00 72.50 71.58 1slm s THR 98 CO 0.26 0.03 -0.03 -0.72 -0.54 0.00 0.00 174.62 173.62 1slm s TYR 99 N -1.27 0.84 -0.18 3.99 1.13 -0.65 -1.55 117.35 119.66 1slm s TYR 99 Ca 0.17 -1.02 -0.14 0.00 -1.41 0.00 0.00 57.07 54.67 1slm s TYR 99 Cb -0.09 -0.51 0.05 0.00 -1.10 0.00 0.00 41.96 40.31 1slm s TYR 99 CO 0.08 -0.28 0.46 0.50 -2.51 0.00 0.00 175.55 173.80 1slm s ARG 100 N -3.90 0.50 -0.53 -3.49 3.52 -0.47 -0.71 118.95 113.87 1slm s ARG 100 Ca 0.14 0.73 -0.18 0.00 -0.13 0.00 0.00 55.73 56.29 1slm s ARG 100 Cb 0.06 0.16 0.08 0.00 -1.56 0.00 0.00 34.95 33.69 1slm s ARG 100 CO -0.04 -0.10 0.61 0.42 -0.81 0.00 0.00 175.30 175.38 1slm s ILE 101 N 0.73 4.92 0.07 4.11 1.01 -1.26 -0.85 121.20 129.93 1slm s ILE 101 Ca -0.04 -0.78 -0.21 0.00 0.00 0.00 0.00 60.65 59.62 1slm s ILE 101 Cb -0.05 -4.34 -0.12 0.00 0.01 0.00 0.00 42.46 37.96 1slm s ILE 101 CO -0.05 -0.88 1.56 0.58 0.00 0.00 0.00 174.94 176.15 1slm h VAL 102 N 5.87 1.19 -4.34 2.92 2.07 -1.36 -3.47 116.25 119.13 1slm h VAL 102 Ca -0.28 -0.61 -0.28 0.00 0.82 0.00 0.00 66.70 66.35 1slm h VAL 102 Cb 1.09 1.34 -0.11 0.00 -1.52 0.00 0.00 31.29 32.09 1slm h VAL 102 CO 1.00 0.18 -0.34 0.54 0.02 0.00 0.00 177.57 178.97 1slm s ASN 103 N -5.61 0.79 0.28 0.57 4.22 -1.26 -5.07 114.94 108.86 1slm s ASN 103 Ca -0.14 -1.45 0.06 0.00 -2.14 0.00 0.00 52.86 49.19 1slm s ASN 103 Cb 0.06 0.57 -0.06 0.00 1.28 0.00 0.00 41.25 43.10 1slm s ASN 103 CO 0.70 -1.12 -0.05 -0.31 -2.04 0.00 0.00 177.10 174.27 1slm s TYR 104 N -3.52 1.95 -0.13 1.54 1.51 -1.26 -4.54 117.35 112.90 1slm s TYR 104 Ca 0.34 -0.71 -0.11 0.00 -1.01 0.00 0.00 57.07 55.58 1slm s TYR 104 Cb 0.02 -1.12 -0.05 0.00 -0.11 0.00 0.00 41.96 40.70 1slm s TYR 104 CO 0.19 0.27 0.22 -0.08 -1.11 0.00 0.00 175.55 175.04 1slm s THR 105 N -3.03 5.36 -0.50 -0.71 -1.32 -1.26 -4.89 115.64 109.29 1slm s THR 105 Ca 0.30 0.40 0.23 0.00 -1.21 0.00 0.00 61.69 61.40 1slm s THR 105 Cb 0.04 -3.53 0.24 0.00 -1.51 0.00 0.00 72.50 67.74 1slm s THR 105 CO 0.12 0.51 1.69 -0.81 -2.21 0.00 0.00 174.62 173.92 1slm n PRO 106 N 2.74 0.18 0.27 7.08 -0.04 -1.26 -3.10 135.00 140.86 1slm n PRO 106 Ca -0.16 0.43 0.09 0.00 -0.04 0.00 0.00 63.50 63.82 1slm n PRO 106 Cb 0.53 -1.85 0.69 0.00 -0.04 0.00 0.00 33.50 32.83 1slm n PRO 106 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1slm h ASP 107 N 0.00 0.00 -3.48 3.54 3.32 -1.94 -3.43 116.42 114.43 1slm h ASP 107 Ca 0.00 0.00 -0.41 0.00 0.02 0.00 0.00 57.03 56.64 1slm h ASP 107 Cb 0.34 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 39.74 1slm h ASP 107 CO 0.00 0.01 -0.73 -0.76 -1.72 0.00 0.00 179.24 176.03 1slm s LEU 108 N -8.78 2.54 0.31 1.55 1.43 -1.18 -4.98 118.68 109.57 1slm s LEU 108 Ca -0.05 -1.00 -0.28 0.00 -1.03 0.00 0.00 54.13 51.77 1slm s LEU 108 Cb 0.17 -0.58 -0.09 0.00 0.03 0.00 0.00 46.19 45.71 1slm s LEU 108 CO 0.65 -0.21 1.05 -2.16 0.23 0.00 0.00 176.35 175.91 1slm s PRO 109 N -3.59 4.52 0.35 1.29 0.04 -1.26 -4.82 135.00 131.53 1slm s PRO 109 Ca 0.20 1.64 0.16 0.00 0.04 0.00 0.00 61.00 63.03 1slm s PRO 109 Cb -0.00 -2.98 1.16 0.00 0.04 0.00 0.00 34.50 32.72 1slm s PRO 109 CO 0.05 0.15 1.61 0.87 0.04 0.00 0.00 177.00 179.72 1slm h LYS 110 N 3.41 0.11 0.00 4.56 1.57 -1.97 0.17 116.57 124.41 1slm h LYS 110 Ca -0.47 -0.01 -0.07 0.00 -1.87 0.00 0.00 60.65 58.23 1slm h LYS 110 Cb 1.21 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.49 1slm h LYS 110 CO 0.65 0.07 -0.35 0.38 -0.57 0.00 0.00 179.45 179.63 1slm h ASP 111 N 0.11 0.00 -0.00 0.86 2.03 -1.99 -2.00 116.42 115.43 1slm h ASP 111 Ca 0.77 0.00 -0.17 0.00 -0.73 0.00 0.00 57.03 56.90 1slm h ASP 111 Cb 1.89 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 40.39 1slm h ASP 111 CO -0.73 0.35 -0.59 0.00 -1.03 0.00 0.00 179.24 177.24 1slm h ALA 112 N 1.65 0.62 -0.17 4.15 0.00 -1.04 -1.24 119.26 123.23 1slm h ALA 112 Ca -0.00 -0.53 -0.05 0.00 0.00 0.00 0.00 54.91 54.32 1slm h ALA 112 Cb 0.66 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 1slm h ALA 112 CO 0.05 0.70 -0.10 0.28 0.00 0.00 0.00 179.25 180.17 1slm h VAL 113 N 0.45 1.32 -0.51 0.00 2.07 -1.36 -1.26 116.25 116.96 1slm h VAL 113 Ca -0.00 -1.18 0.06 0.00 0.82 0.00 0.00 66.70 66.40 1slm h VAL 113 Cb 1.15 1.72 -0.05 0.00 -1.52 0.00 0.00 31.29 32.59 1slm h VAL 113 CO 0.11 0.35 0.22 0.44 0.02 0.00 0.00 177.57 178.72 1slm h ASP 114 N 0.05 0.28 -0.27 0.57 3.32 -1.28 -0.53 116.42 118.57 1slm h ASP 114 Ca 0.04 0.04 -0.02 0.00 0.02 0.00 0.00 57.03 57.11 1slm h ASP 114 Cb 0.59 -0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.13 1slm h ASP 114 CO 0.03 0.19 0.11 0.28 -1.72 0.00 0.00 179.24 178.13 1slm h SER 115 N 0.43 0.37 -0.48 6.45 0.02 -1.17 -0.64 113.55 118.53 1slm h SER 115 Ca 0.23 -0.17 0.06 0.00 -0.84 0.00 0.00 61.79 61.08 1slm h SER 115 Cb 0.20 -0.10 -0.05 0.00 0.14 0.00 0.00 62.40 62.59 1slm h SER 115 CO -0.20 0.44 0.18 0.00 -1.14 0.00 0.00 176.83 176.11 1slm h ALA 116 N 0.95 0.59 -0.40 3.77 0.00 -0.62 0.57 119.26 124.12 1slm h ALA 116 Ca 0.09 0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.96 1slm h ALA 116 Cb 0.19 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1slm h ALA 116 CO -0.01 -0.20 -0.11 0.28 0.00 0.00 0.00 179.25 179.21 1slm h VAL 117 N 0.37 1.28 -0.52 0.00 2.07 -0.99 -2.17 116.25 116.28 1slm h VAL 117 Ca 0.23 -1.21 -0.03 0.00 0.82 0.00 0.00 66.70 66.51 1slm h VAL 117 Cb 0.22 1.22 -0.02 0.00 -1.52 0.00 0.00 31.29 31.19 1slm h VAL 117 CO -0.22 0.41 0.22 -0.33 0.02 0.00 0.00 177.57 177.67 1slm h GLU 118 N 0.60 0.77 -0.09 1.57 5.08 -0.63 -1.94 114.58 119.93 1slm h GLU 118 Ca 0.10 -0.13 -0.06 0.00 -1.00 0.00 0.00 59.36 58.27 1slm h GLU 118 Cb 0.64 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 1slm h GLU 118 CO 0.04 0.66 -0.23 0.87 -1.00 0.00 0.00 179.01 179.35 1slm h LYS 119 N 0.70 0.16 -0.41 2.33 1.57 -0.87 -1.32 116.57 118.73 1slm h LYS 119 Ca 0.18 -0.05 -0.14 0.00 -1.87 0.00 0.00 60.65 58.77 1slm h LYS 119 Cb 0.17 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 1slm h LYS 119 CO -0.02 0.39 -0.29 0.00 -0.57 0.00 0.00 179.45 178.97 1slm h ALA 120 N 1.62 0.72 -0.16 3.86 0.00 -0.94 -2.71 119.26 121.65 1slm h ALA 120 Ca 0.03 -0.41 -0.19 0.00 0.00 0.00 0.00 54.91 54.33 1slm h ALA 120 Cb 0.50 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 1slm h ALA 120 CO 0.03 0.66 -0.67 -0.07 0.00 0.00 0.00 179.25 179.21 1slm h LEU 121 N 0.75 0.71 -1.11 0.00 3.38 -1.10 -3.20 115.31 114.75 1slm h LEU 121 Ca 0.09 -0.43 0.04 0.00 0.09 0.00 0.00 57.88 57.67 1slm h LEU 121 Cb 0.85 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 41.34 1slm h LEU 121 CO 0.07 1.19 0.61 0.50 0.09 0.00 0.00 178.44 180.90 1slm h LYS 122 N 0.44 1.10 -0.93 1.13 3.64 -1.15 -1.35 116.57 119.45 1slm h LYS 122 Ca -0.02 -0.07 0.12 0.00 -1.27 0.00 0.00 60.65 59.42 1slm h LYS 122 Cb 1.26 -0.25 -0.09 0.00 -0.41 0.00 0.00 32.23 32.74 1slm h LYS 122 CO 0.13 0.73 0.56 0.28 -2.27 0.00 0.00 179.45 178.88 1slm h VAL 123 N 1.13 0.87 0.05 2.00 2.07 -1.47 -1.88 116.25 119.02 1slm h VAL 123 Ca 0.38 -0.30 -0.26 0.00 0.82 0.00 0.00 66.70 67.34 1slm h VAL 123 Cb 0.07 -0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 29.74 1slm h VAL 123 CO -0.12 0.16 -1.33 -0.50 0.02 0.00 0.00 177.57 175.79 1slm h TRP 124 N 0.86 0.19 -0.89 1.57 4.06 -1.51 -3.32 115.95 116.90 1slm h TRP 124 Ca 0.47 -0.14 -0.01 0.00 2.06 0.00 0.00 58.89 61.28 1slm h TRP 124 Cb 0.52 -0.01 -0.04 0.00 -1.00 0.00 0.00 29.16 28.63 1slm h TRP 124 CO -0.03 1.14 0.53 0.93 -3.56 0.00 0.00 178.44 177.45 1slm h GLU 125 N 0.03 1.22 -0.81 0.49 5.08 -0.79 -2.98 114.58 116.81 1slm h GLU 125 Ca -0.15 -0.12 0.14 0.00 -1.00 0.00 0.00 59.36 58.24 1slm h GLU 125 Cb 1.91 -0.25 -0.06 0.00 0.50 0.00 0.00 28.75 30.85 1slm h GLU 125 CO 0.14 0.86 0.53 0.93 -1.00 0.00 0.00 179.01 180.47 1slm h GLU 126 N 1.23 0.53 -0.43 2.33 5.08 -1.45 -2.88 114.58 118.99 1slm h GLU 126 Ca 0.32 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.65 1slm h GLU 126 Cb -0.04 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.09 1slm h GLU 126 CO -0.06 0.35 0.00 1.33 -1.00 0.00 0.00 179.01 179.63 1slm n VAL 127 N -4.51 1.27 -4.11 3.13 0.24 -1.13 -4.83 118.33 108.38 1slm n VAL 127 Ca 0.16 -1.14 -0.12 0.00 -2.04 0.00 0.00 64.34 61.20 1slm n VAL 127 Cb 0.49 0.36 -0.07 0.00 -1.47 0.00 0.00 33.84 33.15 1slm n VAL 127 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 1slm s THR 128 N -1.34 0.00 -0.87 3.34 -4.23 -1.09 -4.07 115.64 107.39 1slm s THR 128 Ca 0.33 -1.71 0.07 0.00 -1.18 0.00 0.00 61.69 59.20 1slm s THR 128 Cb 0.20 -2.41 0.37 0.00 1.34 0.00 0.00 72.50 71.99 1slm s THR 128 CO 0.19 0.00 1.11 -0.81 -0.54 0.00 0.00 174.62 174.57 1slm n PRO 129 N -0.38 2.65 -2.97 3.99 -0.04 -1.26 -4.45 135.00 132.54 1slm n PRO 129 Ca 0.01 -1.43 -0.35 0.00 -0.04 0.00 0.00 63.50 61.70 1slm n PRO 129 Cb 0.64 -1.76 -0.06 0.00 -0.04 0.00 0.00 33.50 32.27 1slm n PRO 129 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1slm s LEU 130 N -1.23 4.18 0.09 1.53 1.43 -1.26 -4.85 118.68 118.56 1slm s LEU 130 Ca 0.25 1.54 0.06 0.00 -1.03 0.00 0.00 54.13 54.95 1slm s LEU 130 Cb 0.18 -4.02 -0.03 0.00 0.03 0.00 0.00 46.19 42.35 1slm s LEU 130 CO 0.09 -0.14 -0.15 0.42 0.23 0.00 0.00 176.35 176.80 1slm s THR 131 N -1.81 1.23 -0.09 5.49 -4.23 -0.64 -4.64 115.64 110.96 1slm s THR 131 Ca 0.52 -1.42 0.01 0.00 -1.18 0.00 0.00 61.69 59.62 1slm s THR 131 Cb -0.14 -1.23 0.02 0.00 1.34 0.00 0.00 72.50 72.49 1slm s THR 131 CO 0.19 -0.24 -0.11 -0.36 -0.54 0.00 0.00 174.62 173.56 1slm s PHE 132 N -1.44 1.51 -0.07 3.99 0.08 -1.26 -1.43 117.98 119.36 1slm s PHE 132 Ca 0.01 -0.65 0.04 0.00 0.12 0.00 0.00 56.93 56.45 1slm s PHE 132 Cb -0.09 -1.16 -0.02 0.00 -0.57 0.00 0.00 43.02 41.18 1slm s PHE 132 CO 0.03 -0.39 -0.19 -1.12 -0.10 0.00 0.00 175.22 173.45 1slm s SER 133 N 1.10 3.62 -0.04 1.36 0.01 -0.69 -4.98 113.70 114.08 1slm s SER 133 Ca -0.06 -0.36 -0.23 0.00 1.31 0.00 0.00 55.95 56.61 1slm s SER 133 Cb -0.14 -1.02 -0.04 0.00 0.21 0.00 0.00 66.02 65.02 1slm s SER 133 CO -0.02 0.26 0.68 -0.60 0.41 0.00 0.00 173.24 173.97 1slm s ARG 134 N -0.23 4.42 -0.02 12.44 3.52 -1.26 -1.64 118.95 136.18 1slm s ARG 134 Ca -0.00 0.86 0.02 0.00 -0.13 0.00 0.00 55.73 56.48 1slm s ARG 134 Cb -0.13 -3.41 -0.03 0.00 -1.56 0.00 0.00 34.95 29.81 1slm s ARG 134 CO 0.03 0.16 -0.06 -0.51 -0.81 0.00 0.00 175.30 174.11 1slm s LEU 135 N 0.46 3.20 0.00 -0.88 1.43 0.11 -4.93 118.68 118.07 1slm s LEU 135 Ca 0.36 -0.10 0.15 0.00 -1.03 0.00 0.00 54.13 53.50 1slm s LEU 135 Cb -0.18 -1.80 0.21 0.00 0.03 0.00 0.00 46.19 44.45 1slm s LEU 135 CO 0.18 0.30 1.09 -1.22 0.23 0.00 0.00 176.35 176.94 1slm n TYR 136 N 1.71 0.20 -3.52 0.29 4.02 -1.26 -4.43 117.16 114.18 1slm n TYR 136 Ca -0.16 -0.17 -0.12 0.00 -0.01 0.00 0.00 57.90 57.44 1slm n TYR 136 Cb 0.53 -0.01 -0.04 0.00 -0.02 0.00 0.00 39.34 39.80 1slm n TYR 136 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 176.86 174.02 1slm s GLU 137 N -1.15 0.88 0.20 -0.72 -1.05 -1.26 -5.07 118.70 110.52 1slm s GLU 137 Ca 0.22 -0.05 0.00 0.00 -0.15 0.00 0.00 54.97 54.99 1slm s GLU 137 Cb 0.14 0.41 0.00 0.00 -0.44 0.00 0.00 34.13 34.23 1slm s GLU 137 CO 0.19 -0.33 0.00 0.41 0.95 0.00 0.00 175.26 176.49 1slm n GLY 138 N 0.32 -2.41 3.43 -3.83 0.00 -1.26 -4.84 105.19 96.60 1slm n GLY 138 Ca -0.13 -1.90 -0.44 0.00 0.00 0.00 0.00 46.02 43.56 1slm n GLY 138 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1slm s GLU 139 N -0.30 3.03 0.55 1.61 2.12 -1.26 -5.07 118.70 119.38 1slm s GLU 139 Ca 0.00 -1.07 0.00 0.00 0.36 0.00 0.00 54.97 54.26 1slm s GLU 139 Cb 0.00 -4.06 0.03 0.00 0.26 0.00 0.00 34.13 30.36 1slm s GLU 139 CO 0.00 -0.97 0.79 0.00 -0.54 0.00 0.00 175.26 174.54 1slm s ALA 140 N 1.95 3.78 0.00 6.30 0.00 -1.26 -5.03 121.76 127.49 1slm s ALA 140 Ca 0.08 -1.22 -0.24 0.00 0.00 0.00 0.00 51.96 50.58 1slm s ALA 140 Cb -0.21 -2.16 -0.18 0.00 0.00 0.00 0.00 23.12 20.57 1slm s ALA 140 CO 0.10 -0.76 1.31 -0.44 0.00 0.00 0.00 175.76 175.97 1slm h ASP 141 N 0.04 0.13 -3.66 0.00 3.32 -1.71 -3.41 116.42 111.12 1slm h ASP 141 Ca -0.43 -0.47 -0.68 0.00 0.02 0.00 0.00 57.03 55.47 1slm h ASP 141 Cb 1.29 -0.04 -0.30 0.00 0.22 0.00 0.00 39.33 40.50 1slm h ASP 141 CO 0.54 0.57 -0.67 -0.63 -1.72 0.00 0.00 179.24 177.32 1slm s ILE 142 N -4.35 3.34 -0.20 0.35 1.01 -0.60 -4.48 121.20 116.29 1slm s ILE 142 Ca -0.15 -1.11 -0.08 0.00 0.00 0.00 0.00 60.65 59.31 1slm s ILE 142 Cb 0.03 -2.83 -0.04 0.00 0.01 0.00 0.00 42.46 39.63 1slm s ILE 142 CO 0.70 -0.02 0.08 -0.04 0.00 0.00 0.00 174.94 175.66 1slm s MET 143 N 1.35 3.94 -0.15 2.79 -1.94 -1.26 -1.36 119.30 122.67 1slm s MET 143 Ca -0.02 -0.35 -0.04 0.00 -1.71 0.00 0.00 55.69 53.57 1slm s MET 143 Cb -0.18 -3.28 -0.03 0.00 2.01 0.00 0.00 34.83 33.35 1slm s MET 143 CO -0.00 0.17 -0.03 0.42 -0.01 0.00 0.00 175.02 175.57 1slm s ILE 144 N 0.66 3.93 0.09 2.53 1.01 -0.03 -1.67 121.20 127.72 1slm s ILE 144 Ca 0.04 -0.35 -0.13 0.00 0.00 0.00 0.00 60.65 60.22 1slm s ILE 144 Cb -0.13 -2.72 0.02 0.00 0.01 0.00 0.00 42.46 39.64 1slm s ILE 144 CO 0.02 0.50 0.30 -0.94 0.00 0.00 0.00 174.94 174.81 1slm s SER 145 N 0.32 -0.08 -0.11 3.58 1.04 -0.86 -0.82 113.70 116.78 1slm s SER 145 Ca -0.04 -0.39 -0.03 0.00 0.48 0.00 0.00 55.95 55.98 1slm s SER 145 Cb -0.14 0.39 -0.03 0.00 0.10 0.00 0.00 66.02 66.34 1slm s SER 145 CO 0.03 -0.74 -0.00 -0.36 0.98 0.00 0.00 173.24 173.15 1slm s PHE 146 N -3.44 3.14 0.16 5.02 0.40 -1.26 -1.18 117.98 120.83 1slm s PHE 146 Ca 0.01 0.08 -0.11 0.00 -0.60 0.00 0.00 56.93 56.31 1slm s PHE 146 Cb 0.02 -1.86 0.00 0.00 0.51 0.00 0.00 43.02 41.70 1slm s PHE 146 CO -0.09 0.33 0.33 0.00 0.70 0.00 0.00 175.22 176.49 1slm s ALA 147 N -0.48 -0.27 0.01 5.36 0.00 -0.09 -4.89 121.76 121.41 1slm s ALA 147 Ca 0.08 -0.68 0.03 0.00 0.00 0.00 0.00 51.96 51.40 1slm s ALA 147 Cb -0.12 0.81 -0.01 0.00 0.00 0.00 0.00 23.12 23.80 1slm s ALA 147 CO 0.02 -0.66 -0.10 0.14 0.00 0.00 0.00 175.76 175.15 1slm s VAL 148 N -3.93 0.81 0.00 0.00 -7.23 -1.26 0.03 120.40 108.82 1slm s VAL 148 Ca 0.13 -0.66 0.00 0.00 -1.81 0.00 0.00 61.98 59.64 1slm s VAL 148 Cb 0.02 -0.72 0.00 0.00 0.56 0.00 0.00 36.38 36.24 1slm s VAL 148 CO -0.02 0.07 0.00 0.54 -0.31 0.00 0.00 175.10 175.37 1slm n ARG 149 N 2.38 0.00 -2.02 4.82 5.12 -1.26 -4.36 116.66 121.35 1slm n ARG 149 Ca -0.16 0.00 -0.42 0.00 -1.93 0.00 0.00 57.85 55.34 1slm n ARG 149 Cb 0.56 0.00 -0.03 0.00 -1.16 0.00 0.00 32.46 31.83 1slm n ARG 149 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 1slm s GLU 150 N 0.00 4.21 -0.07 5.56 8.01 -1.26 -0.97 118.70 134.18 1slm s GLU 150 Ca 0.00 2.21 0.17 0.00 0.01 0.00 0.00 54.97 57.36 1slm s GLU 150 Cb 0.00 -3.68 0.35 0.00 -4.31 0.00 0.00 34.13 26.49 1slm s GLU 150 CO 0.00 -0.72 1.16 -2.39 0.01 0.00 0.00 175.26 173.31 1slm n HIS 151 N 5.89 0.00 0.00 1.61 1.44 -1.26 -4.98 115.22 117.92 1slm n HIS 151 Ca 0.15 -0.76 0.00 0.00 -2.01 0.00 0.00 57.72 55.11 1slm n HIS 151 Cb 0.42 -0.16 0.00 0.00 0.12 0.00 0.00 29.99 30.36 1slm n HIS 151 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1slm n GLY 152 N -0.23 3.31 4.04 -1.39 0.00 -1.26 -5.05 105.19 104.60 1slm n GLY 152 Ca 0.10 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.92 1slm n GLY 152 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1slm s ASP 153 N -0.26 5.00 0.00 1.61 1.47 -1.26 -5.00 116.67 118.23 1slm s ASP 153 Ca 0.00 -0.93 0.27 0.00 1.18 0.00 0.00 52.55 53.07 1slm s ASP 153 Cb 0.00 0.46 1.33 0.00 -0.34 0.00 0.00 42.92 44.37 1slm s ASP 153 CO 0.00 -1.43 1.91 0.49 0.68 0.00 0.00 175.17 176.81 1slm n PHE 154 N -2.29 0.00 -3.77 2.11 3.01 -1.26 -4.45 117.46 110.80 1slm n PHE 154 Ca 0.16 0.00 -0.33 0.00 1.01 0.00 0.00 57.45 58.29 1slm n PHE 154 Cb 0.62 -0.31 -0.10 0.00 -0.01 0.00 0.00 39.48 39.68 1slm n PHE 154 CO 0.00 0.00 0.00 0.71 1.01 0.00 0.00 176.76 178.48 1slm s TYR 155 N -2.63 3.63 0.52 1.38 2.02 -1.26 -5.09 117.35 115.93 1slm s TYR 155 Ca 0.24 -3.09 -0.21 0.00 -0.37 0.00 0.00 57.07 53.64 1slm s TYR 155 Cb 0.18 -3.03 -0.06 0.00 -0.40 0.00 0.00 41.96 38.66 1slm s TYR 155 CO 0.42 -0.70 1.21 -1.25 -1.57 0.00 0.00 175.55 173.66 1slm s PRO 156 N -1.04 3.37 0.98 -1.71 0.04 -1.26 -4.86 135.00 130.51 1slm s PRO 156 Ca 0.24 1.85 -0.14 0.00 0.04 0.00 0.00 61.00 62.99 1slm s PRO 156 Cb -0.11 -2.18 0.18 0.00 0.04 0.00 0.00 34.50 32.42 1slm s PRO 156 CO -0.11 -0.89 1.14 -0.06 0.04 0.00 0.00 177.00 177.12 1slm s PHE 157 N -1.55 2.06 -0.21 0.56 0.08 -0.15 -4.90 117.98 113.88 1slm s PHE 157 Ca 0.70 0.78 0.14 0.00 0.12 0.00 0.00 56.93 58.67 1slm s PHE 157 Cb -0.30 -3.43 0.45 0.00 -0.57 0.00 0.00 43.02 39.16 1slm s PHE 157 CO 0.35 -2.73 1.18 -0.40 -0.10 0.00 0.00 175.22 173.53 1slm n ASP 158 N -4.00 2.67 -0.35 1.36 5.68 -1.26 -4.05 116.55 116.58 1slm n ASP 158 Ca 0.08 -3.26 0.02 0.00 -0.50 0.00 0.00 54.79 51.13 1slm n ASP 158 Cb 0.59 -0.42 -0.00 0.00 -1.14 0.00 0.00 41.12 40.14 1slm n ASP 158 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1slm n GLY 159 N -0.64 -1.83 3.76 6.12 0.00 -1.26 -4.85 105.19 106.49 1slm n GLY 159 Ca 0.24 -1.32 -0.39 0.00 0.00 0.00 0.00 46.02 44.55 1slm n GLY 159 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1slm s PRO 160 N -0.33 3.48 0.22 1.61 0.04 -1.25 -4.78 135.00 133.99 1slm s PRO 160 Ca 0.00 2.25 0.00 0.00 0.04 0.00 0.00 61.00 63.29 1slm s PRO 160 Cb 0.00 -2.47 0.00 0.00 0.04 0.00 0.00 34.50 32.07 1slm s PRO 160 CO 0.00 -0.92 0.00 0.41 0.04 0.00 0.00 177.00 176.53 1slm n GLY 161 N 0.64 -2.39 7.00 0.56 0.00 -1.26 -4.97 105.19 104.77 1slm n GLY 161 Ca 0.07 -1.57 0.00 0.00 0.00 0.00 0.00 46.02 44.52 1slm n GLY 161 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1slm n ASN 162 N -0.46 0.00 -4.66 1.61 3.02 -1.26 -4.56 115.26 108.94 1slm n ASN 162 Ca 0.00 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.13 1slm n ASN 162 Cb 0.00 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.14 1slm n ASN 162 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1slm s VAL 163 N 0.00 3.39 -0.11 2.41 1.01 -1.26 -0.70 120.40 125.14 1slm s VAL 163 Ca 0.00 0.54 -0.00 0.00 0.00 0.00 0.00 61.98 62.52 1slm s VAL 163 Cb 0.00 -3.35 -0.25 0.00 0.00 0.00 0.00 36.38 32.78 1slm s VAL 163 CO 0.00 -0.04 0.40 0.18 0.00 0.00 0.00 175.10 175.64 1slm n LEU 164 N 6.96 2.11 -3.78 3.92 4.77 0.14 -4.73 117.00 126.39 1slm n LEU 164 Ca 0.17 0.24 -0.01 0.00 -0.03 0.00 0.00 56.01 56.38 1slm n LEU 164 Cb 0.42 -0.72 0.00 0.00 -2.33 0.00 0.00 43.42 40.80 1slm n LEU 164 CO 0.63 0.73 0.92 0.00 -1.33 0.00 0.00 177.39 178.34 1slm s ALA 165 N -2.56 -1.97 0.02 -1.18 0.00 -1.26 -1.38 121.76 113.42 1slm s ALA 165 Ca -0.18 0.19 -0.20 0.00 0.00 0.00 0.00 51.96 51.76 1slm s ALA 165 Cb 0.07 0.62 0.04 0.00 0.00 0.00 0.00 23.12 23.85 1slm s ALA 165 CO 0.78 -1.07 0.45 -3.38 0.00 0.00 0.00 175.76 172.54 1slm s HIS 166 N -2.51 -0.34 0.05 0.00 -3.43 -0.44 -0.64 115.29 107.98 1slm s HIS 166 Ca 0.18 0.40 -0.00 0.00 -0.80 0.00 0.00 55.06 54.84 1slm s HIS 166 Cb 0.01 0.25 -0.04 0.00 -1.43 0.00 0.00 32.58 31.37 1slm s HIS 166 CO 0.00 -0.56 -0.03 0.00 -2.00 0.00 0.00 174.74 172.15 1slm s ALA 167 N -2.10 0.50 0.10 -1.38 0.00 -1.26 -0.42 121.76 117.20 1slm s ALA 167 Ca -0.07 -1.12 0.05 0.00 0.00 0.00 0.00 51.96 50.82 1slm s ALA 167 Cb -0.01 0.23 -0.04 0.00 0.00 0.00 0.00 23.12 23.30 1slm s ALA 167 CO 0.01 -0.31 0.01 0.71 0.00 0.00 0.00 175.76 176.17 1slm s TYR 168 N -3.44 2.99 0.96 0.00 2.02 -0.58 -4.87 117.35 114.43 1slm s TYR 168 Ca 0.03 -0.03 -0.11 0.00 -0.37 0.00 0.00 57.07 56.59 1slm s TYR 168 Cb 0.04 -1.53 0.17 0.00 -0.40 0.00 0.00 41.96 40.24 1slm s TYR 168 CO -0.08 0.49 1.09 0.00 -1.57 0.00 0.00 175.55 175.48 1slm s ALA 169 N -1.36 1.09 0.66 3.71 0.00 -1.25 -2.08 121.76 122.53 1slm s ALA 169 Ca 0.26 0.14 -0.17 0.00 0.00 0.00 0.00 51.96 52.19 1slm s ALA 169 Cb -0.11 -3.29 -0.05 0.00 0.00 0.00 0.00 23.12 19.66 1slm s ALA 169 CO 0.19 -2.79 0.58 -2.30 0.00 0.00 0.00 175.76 171.44 1slm n PRO 170 N -4.21 0.43 0.00 0.00 -0.02 -1.24 -1.05 135.00 128.91 1slm n PRO 170 Ca 0.08 0.18 0.00 0.00 -2.02 0.00 0.00 63.50 61.74 1slm n PRO 170 Cb 0.54 -1.83 0.00 0.00 -0.02 0.00 0.00 33.50 32.19 1slm n PRO 170 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1slm n GLY 171 N 1.64 0.68 3.90 -1.23 0.00 -1.26 -0.55 105.19 108.36 1slm n GLY 171 Ca 0.11 -1.68 -0.29 0.00 0.00 0.00 0.00 46.02 44.16 1slm n GLY 171 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1slm s PRO 172 N -1.48 2.40 7.83 1.61 0.04 -1.26 -4.45 135.00 139.70 1slm s PRO 172 Ca 0.00 0.22 0.00 0.00 0.04 0.00 0.00 61.00 61.26 1slm s PRO 172 Cb 0.00 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.53 1slm s PRO 172 CO 0.00 -1.29 0.00 0.41 0.04 0.00 0.00 177.00 176.16 1slm n GLY 173 N -3.12 3.42 0.26 0.56 0.00 -1.26 -2.61 105.19 102.45 1slm n GLY 173 Ca 0.07 -0.12 0.13 0.00 0.00 0.00 0.00 46.02 46.10 1slm n GLY 173 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1slm h ILE 174 N 0.00 0.54 -3.95 -0.61 2.10 -1.95 -3.45 117.51 110.19 1slm h ILE 174 Ca 0.00 -0.53 -0.55 0.00 1.08 0.00 0.00 64.86 64.86 1slm h ILE 174 Cb 0.00 1.35 0.12 0.00 -1.09 0.00 0.00 36.82 37.20 1slm h ILE 174 CO 0.00 0.11 0.71 0.59 -1.08 0.00 0.00 178.15 178.48 1slm n ASN 175 N -3.61 3.39 0.00 2.19 4.13 -1.07 -2.08 115.26 118.20 1slm n ASN 175 Ca -0.02 1.14 0.00 0.00 1.68 0.00 0.00 54.58 57.38 1slm n ASN 175 Cb 0.24 -1.60 0.00 0.00 -1.54 0.00 0.00 39.78 36.88 1slm n ASN 175 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1slm n GLY 176 N 0.56 3.27 3.78 7.41 0.00 -0.22 -4.44 105.19 115.55 1slm n GLY 176 Ca 0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 1slm n GLY 176 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1slm s ASP 177 N -0.87 5.94 -0.11 1.61 1.01 -0.89 -4.50 116.67 118.86 1slm s ASP 177 Ca 0.00 2.09 0.03 0.00 0.71 0.00 0.00 52.55 55.38 1slm s ASP 177 Cb 0.00 -2.57 0.01 0.00 1.01 0.00 0.00 42.92 41.36 1slm s ASP 177 CO 0.00 -1.07 -0.20 0.00 0.21 0.00 0.00 175.17 174.12 1slm s ALA 178 N -1.85 1.95 -0.08 5.23 0.00 -0.67 -1.52 121.76 124.83 1slm s ALA 178 Ca 0.71 -0.87 0.02 0.00 0.00 0.00 0.00 51.96 51.81 1slm s ALA 178 Cb -0.21 -0.84 -0.02 0.00 0.00 0.00 0.00 23.12 22.04 1slm s ALA 178 CO 0.24 0.07 -0.13 -1.01 0.00 0.00 0.00 175.76 174.94 1slm s HIS 179 N 0.70 2.77 -0.10 0.00 3.76 0.44 -2.02 115.29 120.84 1slm s HIS 179 Ca -0.11 -0.28 0.03 0.00 -0.15 0.00 0.00 55.06 54.55 1slm s HIS 179 Cb -0.16 -1.71 -0.00 0.00 1.11 0.00 0.00 32.58 31.82 1slm s HIS 179 CO 0.02 0.08 -0.21 -0.06 -0.85 0.00 0.00 174.74 173.72 1slm s PHE 180 N -0.40 2.61 -0.36 1.40 0.40 -0.32 -1.33 117.98 119.98 1slm s PHE 180 Ca 0.05 -0.93 -0.28 0.00 -0.60 0.00 0.00 56.93 55.17 1slm s PHE 180 Cb -0.12 -1.73 -0.01 0.00 0.51 0.00 0.00 43.02 41.66 1slm s PHE 180 CO 0.02 -0.35 1.70 0.34 0.70 0.00 0.00 175.22 177.63 1slm s ASP 181 N 0.30 5.99 0.00 1.36 -1.08 -0.48 -0.91 116.67 121.84 1slm s ASP 181 Ca -0.16 1.14 0.08 0.00 -0.52 0.00 0.00 52.55 53.09 1slm s ASP 181 Cb -0.17 -2.53 0.48 0.00 -1.46 0.00 0.00 42.92 39.24 1slm s ASP 181 CO 0.08 -1.66 1.10 -0.67 0.52 0.00 0.00 175.17 174.54 1slm n ASP 182 N 9.97 0.00 -0.39 -0.34 2.03 0.10 -2.58 116.55 125.34 1slm n ASP 182 Ca 0.21 -1.26 0.14 0.00 0.52 0.00 0.00 54.79 54.40 1slm n ASP 182 Cb 0.47 0.00 0.57 0.00 -0.72 0.00 0.00 41.12 41.44 1slm n ASP 182 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1slm n ASP 183 N -0.67 1.24 -4.93 1.67 8.00 -1.26 -4.85 116.55 115.75 1slm n ASP 183 Ca 0.06 -1.36 -0.25 0.00 0.71 0.00 0.00 54.79 53.95 1slm n ASP 183 Cb 0.03 0.01 -0.02 0.00 -0.02 0.00 0.00 41.12 41.12 1slm n ASP 183 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1slm s GLU 184 N -2.06 3.52 -0.87 -1.24 0.41 -1.07 -3.85 118.70 113.55 1slm s GLU 184 Ca 0.38 -0.23 -0.17 0.00 -0.41 0.00 0.00 54.97 54.54 1slm s GLU 184 Cb 0.21 -2.66 0.17 0.00 -1.78 0.00 0.00 34.13 30.07 1slm s GLU 184 CO 0.36 0.17 0.96 -1.14 -0.49 0.00 0.00 175.26 175.12 1slm s GLN 185 N -4.07 3.58 0.11 1.61 0.74 -1.26 -5.02 119.66 115.34 1slm s GLN 185 Ca 0.41 -2.03 -0.31 0.00 0.05 0.00 0.00 55.36 53.48 1slm s GLN 185 Cb -0.10 -4.68 -0.07 0.00 1.10 0.00 0.00 33.01 29.26 1slm s GLN 185 CO 0.34 -1.56 1.25 -1.58 -0.55 0.00 0.00 175.29 173.20 1slm s TRP 186 N 1.64 3.38 0.29 1.67 0.52 -1.26 -0.98 118.94 124.19 1slm s TRP 186 Ca 0.26 1.23 0.04 0.00 0.02 0.00 0.00 56.10 57.65 1slm s TRP 186 Cb -0.08 -3.50 -0.06 0.00 -1.15 0.00 0.00 33.47 28.68 1slm s TRP 186 CO -0.09 -1.59 0.01 0.95 0.02 0.00 0.00 176.95 176.26 1slm s THR 187 N 0.81 1.25 -0.06 2.01 -4.23 -0.29 -4.65 115.64 110.47 1slm s THR 187 Ca 0.59 -2.04 0.14 0.00 -1.18 0.00 0.00 61.69 59.20 1slm s THR 187 Cb -0.32 -2.58 -0.19 0.00 1.34 0.00 0.00 72.50 70.75 1slm s THR 187 CO 0.31 -0.16 0.79 0.50 -0.54 0.00 0.00 174.62 175.51 1slm h LYS 188 N 2.26 0.00 0.00 3.99 3.64 -1.96 -2.93 116.57 121.56 1slm h LYS 188 Ca -0.40 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.98 1slm h LYS 188 Cb 1.24 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.06 1slm h LYS 188 CO 0.67 0.45 0.00 -0.40 -2.27 0.00 0.00 179.45 177.91 1slm n ASP 189 N -3.02 0.67 -1.75 4.20 5.68 -1.26 -4.94 116.55 116.14 1slm n ASP 189 Ca -0.13 0.00 -0.15 0.00 -0.50 0.00 0.00 54.79 54.01 1slm n ASP 189 Cb 0.96 0.00 0.19 0.00 -1.14 0.00 0.00 41.12 41.13 1slm n ASP 189 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 1slm n THR 190 N 0.00 2.91 0.94 2.12 -2.24 -1.26 -4.23 114.28 112.52 1slm n THR 190 Ca 0.00 -2.32 0.13 0.00 -2.27 0.00 0.00 64.05 59.59 1slm n THR 190 Cb 0.00 -0.40 0.47 0.00 -2.10 0.00 0.00 70.33 68.29 1slm n THR 190 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1slm n THR 191 N -1.14 0.07 0.00 4.28 -2.24 -1.26 -4.87 114.28 109.12 1slm n THR 191 Ca 0.48 -0.04 0.00 0.00 -2.27 0.00 0.00 64.05 62.22 1slm n THR 191 Cb 1.38 -0.27 0.00 0.00 -2.10 0.00 0.00 70.33 69.35 1slm n THR 191 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1slm n GLY 192 N 1.47 4.63 3.35 3.38 0.00 -1.26 -5.07 105.19 111.69 1slm n GLY 192 Ca 0.06 -0.58 -0.39 0.00 0.00 0.00 0.00 46.02 45.11 1slm n GLY 192 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1slm s THR 193 N 3.46 4.20 -0.15 2.61 2.01 -0.15 -4.89 115.64 122.74 1slm s THR 193 Ca 0.00 -0.84 -0.29 0.00 0.31 0.00 0.00 61.69 60.87 1slm s THR 193 Cb 0.00 -3.28 -0.05 0.00 0.01 0.00 0.00 72.50 69.17 1slm s THR 193 CO 0.00 -0.10 1.92 0.21 -0.69 0.00 0.00 174.62 175.96 1slm s ASN 194 N 1.51 6.08 0.19 3.53 3.84 -1.26 -1.14 114.94 127.68 1slm s ASN 194 Ca 0.01 2.01 -0.11 0.00 0.21 0.00 0.00 52.86 54.98 1slm s ASN 194 Cb -0.18 -2.52 0.11 0.00 -0.55 0.00 0.00 41.25 38.11 1slm s ASN 194 CO 0.04 -1.45 1.81 0.25 -2.79 0.00 0.00 177.10 174.96 1slm h LEU 195 N 12.57 0.84 0.23 3.21 5.85 -1.83 -2.76 115.31 133.42 1slm h LEU 195 Ca -0.41 -0.10 0.01 0.00 0.84 0.00 0.00 57.88 58.23 1slm h LEU 195 Cb 1.21 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.99 1slm h LEU 195 CO 0.97 0.69 -0.31 0.15 -0.34 0.00 0.00 178.44 179.61 1slm h PHE 196 N 0.92 -0.83 -0.20 1.25 3.57 -1.82 0.12 116.94 119.95 1slm h PHE 196 Ca 0.24 0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.80 1slm h PHE 196 Cb 0.04 0.33 -0.05 0.00 2.79 0.00 0.00 35.95 39.07 1slm h PHE 196 CO -0.01 -0.43 -0.11 -0.07 -2.23 0.00 0.00 178.31 175.47 1slm h LEU 197 N -0.59 -0.35 -0.58 0.59 3.38 -1.92 0.61 115.31 116.45 1slm h LEU 197 Ca 0.00 0.08 -0.07 0.00 0.09 0.00 0.00 57.88 57.99 1slm h LEU 197 Cb 0.57 0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.49 1slm h LEU 197 CO -0.11 -0.14 0.09 0.58 0.09 0.00 0.00 178.44 178.95 1slm h VAL 198 N -0.09 1.26 -0.74 1.22 2.07 -1.39 -2.27 116.25 116.31 1slm h VAL 198 Ca 0.11 -0.99 -0.04 0.00 0.82 0.00 0.00 66.70 66.61 1slm h VAL 198 Cb 0.25 0.77 -0.03 0.00 -1.52 0.00 0.00 31.29 30.76 1slm h VAL 198 CO -0.26 0.36 0.30 0.00 0.02 0.00 0.00 177.57 177.99 1slm h ALA 199 N 1.01 0.95 -0.69 1.67 0.00 -0.36 -0.17 119.26 121.67 1slm h ALA 199 Ca 0.18 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1slm h ALA 199 Cb 0.42 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 1slm h ALA 199 CO 0.01 0.57 0.39 0.00 0.00 0.00 0.00 179.25 180.22 1slm h ALA 200 N 1.15 0.89 -0.05 0.00 0.00 -0.68 0.39 119.26 120.96 1slm h ALA 200 Ca 0.25 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1slm h ALA 200 Cb 0.21 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 1slm h ALA 200 CO -0.02 0.40 0.01 1.25 0.00 0.00 0.00 179.25 180.89 1slm h HIS 201 N 0.95 0.09 -0.61 0.00 6.17 -0.99 -2.78 115.15 117.97 1slm h HIS 201 Ca 0.25 -0.01 -0.04 0.00 0.71 0.00 0.00 60.37 61.27 1slm h HIS 201 Cb 0.03 -0.03 -0.03 0.00 2.52 0.00 0.00 27.41 29.90 1slm h HIS 201 CO -0.01 0.30 0.22 0.93 0.71 0.00 0.00 177.93 180.08 1slm h GLU 202 N -0.14 0.91 -0.35 5.26 4.39 -0.77 -1.33 114.58 122.56 1slm h GLU 202 Ca 0.02 -0.16 -0.01 0.00 0.34 0.00 0.00 59.36 59.55 1slm h GLU 202 Cb 0.25 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 28.73 1slm h GLU 202 CO 0.00 0.76 0.18 0.82 -1.16 0.00 0.00 179.01 179.61 1slm h ILE 203 N 0.89 1.12 -0.75 3.13 1.08 -0.87 -1.33 117.51 120.77 1slm h ILE 203 Ca 0.21 -0.32 0.10 0.00 -0.39 0.00 0.00 64.86 64.46 1slm h ILE 203 Cb 0.21 0.67 -0.08 0.00 -3.07 0.00 0.00 36.82 34.55 1slm h ILE 203 CO -0.01 0.13 0.38 1.23 -0.69 0.00 0.00 178.15 179.19 1slm h GLY 204 N 0.58 1.14 1.26 5.37 0.00 -0.95 -0.01 103.07 110.45 1slm h GLY 204 Ca 0.12 -0.23 -0.14 0.00 0.00 0.00 0.00 47.33 47.08 1slm h GLY 204 CO -0.02 0.05 -0.35 0.45 0.00 0.00 0.00 176.54 176.67 1slm h HIS 205 N 0.62 0.97 -0.03 5.60 3.86 -1.22 -1.03 115.15 123.92 1slm h HIS 205 Ca 0.38 -0.27 0.01 0.00 -1.16 0.00 0.00 60.37 59.32 1slm h HIS 205 Cb 0.42 -0.21 -0.00 0.00 1.06 0.00 0.00 27.41 28.68 1slm h HIS 205 CO -0.10 1.05 0.04 0.77 0.86 0.00 0.00 177.93 180.55 1slm h SER 206 N 0.68 0.00 0.08 2.45 0.02 -0.40 -0.99 113.55 115.39 1slm h SER 206 Ca 0.07 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 1slm h SER 206 Cb 0.91 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.45 1slm h SER 206 CO 0.08 0.00 -0.41 0.18 -1.14 0.00 0.00 176.83 175.54 1slm n LEU 207 N -3.94 1.62 0.00 5.07 4.77 -0.39 -3.64 117.00 120.50 1slm n LEU 207 Ca -0.02 -0.56 0.00 0.00 -0.03 0.00 0.00 56.01 55.40 1slm n LEU 207 Cb 0.13 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 1slm n LEU 207 CO 0.28 0.30 0.00 0.61 -1.33 0.00 0.00 177.39 177.26 1slm n GLY 208 N 1.39 1.06 3.85 -0.72 0.00 -0.38 -4.61 105.19 105.79 1slm n GLY 208 Ca 0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.80 1slm n GLY 208 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1slm s LEU 209 N 0.00 4.05 0.52 0.99 1.43 -0.42 -4.97 118.68 120.28 1slm s LEU 209 Ca 0.00 1.28 0.07 0.00 -1.03 0.00 0.00 54.13 54.45 1slm s LEU 209 Cb 0.00 -4.09 0.03 0.00 0.03 0.00 0.00 46.19 42.17 1slm s LEU 209 CO 0.00 -0.22 0.48 -0.36 0.23 0.00 0.00 176.35 176.48 1slm s PHE 210 N -2.01 1.88 0.49 0.29 0.08 -1.26 -4.14 117.98 113.31 1slm s PHE 210 Ca 0.54 -0.72 -0.21 0.00 0.12 0.00 0.00 56.93 56.66 1slm s PHE 210 Cb -0.10 -2.05 -0.07 0.00 -0.57 0.00 0.00 43.02 40.23 1slm s PHE 210 CO 0.18 -0.52 1.09 -1.01 -0.10 0.00 0.00 175.22 174.86 1slm s HIS 211 N -2.67 2.89 0.12 0.36 3.76 -1.26 -4.92 115.29 113.58 1slm s HIS 211 Ca 0.44 1.57 0.07 0.00 -0.15 0.00 0.00 55.06 56.98 1slm s HIS 211 Cb -0.03 -3.19 -0.04 0.00 1.11 0.00 0.00 32.58 30.43 1slm s HIS 211 CO 0.27 -1.16 -0.07 0.45 -0.85 0.00 0.00 174.74 173.38 1slm s SER 212 N -1.79 4.53 0.00 1.40 0.15 -0.66 -4.98 113.70 112.35 1slm s SER 212 Ca 0.68 -0.38 0.27 0.00 0.70 0.00 0.00 55.95 57.22 1slm s SER 212 Cb -0.21 -0.90 0.95 0.00 -1.71 0.00 0.00 66.02 64.15 1slm s SER 212 CO 0.25 0.15 1.69 0.00 1.20 0.00 0.00 173.24 176.53 1slm n ALA 213 N 0.47 2.95 -2.58 5.45 0.00 -1.26 -4.17 120.51 121.36 1slm n ALA 213 Ca -0.12 -0.34 -0.43 0.00 0.00 0.00 0.00 53.44 52.55 1slm n ALA 213 Cb 0.53 -1.22 -0.02 0.00 0.00 0.00 0.00 19.45 18.73 1slm n ALA 213 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1slm s ASN 214 N -2.52 7.08 0.55 0.00 3.84 -1.26 -4.62 114.94 118.01 1slm s ASN 214 Ca 0.25 1.55 0.29 0.00 0.21 0.00 0.00 52.86 55.17 1slm s ASN 214 Cb 0.19 -2.55 1.60 0.00 -0.55 0.00 0.00 41.25 39.95 1slm s ASN 214 CO 0.51 -0.64 2.13 0.71 -2.79 0.00 0.00 177.10 177.02 1slm h THR 215 N 5.33 0.50 -0.42 -5.21 1.35 -1.94 -2.27 112.91 110.25 1slm h THR 215 Ca -0.25 -0.37 0.00 0.00 -0.55 0.00 0.00 66.41 65.24 1slm h THR 215 Cb 1.10 1.25 0.00 0.00 -1.73 0.00 0.00 68.15 68.77 1slm h THR 215 CO 0.94 0.08 0.00 -1.84 -0.25 0.00 0.00 175.52 174.45 1slm n GLU 216 N -3.63 2.39 -3.24 4.72 0.28 -1.26 -4.94 120.64 114.97 1slm n GLU 216 Ca -0.02 -2.12 -0.37 0.00 -0.16 0.00 0.00 57.16 54.50 1slm n GLU 216 Cb 0.19 -1.49 -0.06 0.00 1.43 0.00 0.00 31.44 31.51 1slm n GLU 216 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1slm s ALA 217 N -1.46 3.52 0.42 -1.84 0.00 -0.85 -4.58 121.76 116.97 1slm s ALA 217 Ca 0.39 0.02 0.11 0.00 0.00 0.00 0.00 51.96 52.48 1slm s ALA 217 Cb 0.22 -2.66 0.90 0.00 0.00 0.00 0.00 23.12 21.57 1slm s ALA 217 CO 0.30 0.39 1.98 1.25 0.00 0.00 0.00 175.76 179.68 1slm h LEU 218 N 3.80 0.18 0.00 0.00 5.85 -1.90 -2.09 115.31 121.16 1slm h LEU 218 Ca -0.49 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.21 1slm h LEU 218 Cb 1.20 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.18 1slm h LEU 218 CO 0.65 0.29 0.00 0.23 -0.34 0.00 0.00 178.44 179.27 1slm n MET 219 N -4.34 0.89 -2.12 1.25 2.81 -1.26 -4.79 117.12 109.55 1slm n MET 219 Ca -0.01 0.00 -0.41 0.00 -1.81 0.00 0.00 57.70 55.47 1slm n MET 219 Cb 0.22 -1.22 -0.03 0.00 -0.71 0.00 0.00 33.22 31.48 1slm n MET 219 CO 0.00 0.00 0.00 -0.47 1.51 0.00 0.00 175.97 177.01 1slm s TYR 220 N -2.00 3.13 0.54 2.03 5.04 -0.79 -1.65 117.35 123.65 1slm s TYR 220 Ca 0.19 1.20 0.20 0.00 -2.44 0.00 0.00 57.07 56.22 1slm s TYR 220 Cb 0.09 -3.69 1.42 0.00 0.35 0.00 0.00 41.96 40.12 1slm s TYR 220 CO 0.15 -2.14 2.17 -1.00 -1.34 0.00 0.00 175.55 173.38 1slm h PRO 221 N 4.78 0.00 -6.15 4.97 0.13 -1.87 -3.44 132.00 130.42 1slm h PRO 221 Ca -0.46 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.08 1slm h PRO 221 Cb 1.22 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.30 1slm h PRO 221 CO 0.75 0.00 -0.15 -0.51 -0.23 0.00 0.00 178.00 177.86 1slm s LEU 222 N -8.68 4.43 0.02 1.56 1.43 -1.26 -1.20 118.68 114.99 1slm s LEU 222 Ca -0.05 1.03 -0.30 0.00 -1.03 0.00 0.00 54.13 53.77 1slm s LEU 222 Cb 0.17 -2.88 -0.06 0.00 0.03 0.00 0.00 46.19 43.44 1slm s LEU 222 CO 0.64 0.24 1.43 -0.47 0.23 0.00 0.00 176.35 178.42 1slm s TYR 223 N -1.23 2.85 -0.48 0.29 5.04 -0.92 -4.98 117.35 117.91 1slm s TYR 223 Ca 0.30 0.77 -0.13 0.00 -2.44 0.00 0.00 57.07 55.57 1slm s TYR 223 Cb -0.16 -3.70 0.10 0.00 0.35 0.00 0.00 41.96 38.54 1slm s TYR 223 CO 0.17 -2.62 0.38 -1.01 -1.34 0.00 0.00 175.55 171.13 1slm s HIS 224 N 2.25 3.30 -0.98 4.97 3.76 -1.26 -4.94 115.29 122.39 1slm s HIS 224 Ca 0.65 -1.32 -0.20 0.00 -0.15 0.00 0.00 55.06 54.04 1slm s HIS 224 Cb -0.33 -3.34 -0.10 0.00 1.11 0.00 0.00 32.58 29.92 1slm s HIS 224 CO 0.28 -0.90 1.97 0.43 -0.85 0.00 0.00 174.74 175.67 1slm n SER 225 N 5.10 2.96 -4.77 1.40 7.64 -1.26 -4.94 113.62 119.75 1slm n SER 225 Ca -0.12 -2.72 -0.39 0.00 1.01 0.00 0.00 58.87 56.65 1slm n SER 225 Cb 0.42 -1.33 -0.03 0.00 -1.01 0.00 0.00 64.21 62.27 1slm n SER 225 CO 0.00 0.00 0.00 -1.48 -3.01 0.00 0.00 175.04 170.55 1slm s LEU 226 N 2.79 4.29 0.07 -3.43 0.05 -1.26 -5.00 118.68 116.20 1slm s LEU 226 Ca 0.57 2.37 -0.29 0.00 0.05 0.00 0.00 54.13 56.83 1slm s LEU 226 Cb 0.12 -3.90 -0.17 0.00 -2.05 0.00 0.00 46.19 40.18 1slm s LEU 226 CO 0.08 -0.55 1.64 0.74 -0.55 0.00 0.00 176.35 177.71 1slm h THR 227 N 2.56 0.61 -3.70 5.48 2.02 -2.00 -3.42 112.91 114.46 1slm h THR 227 Ca -0.48 -0.05 -0.69 0.00 0.77 0.00 0.00 66.41 65.96 1slm h THR 227 Cb 1.23 0.64 -0.31 0.00 -1.74 0.00 0.00 68.15 67.96 1slm h THR 227 CO 0.64 0.01 -0.64 -0.62 0.37 0.00 0.00 175.52 175.27 1slm s ASP 228 N -4.74 5.11 0.35 4.18 -1.08 -1.26 -4.96 116.67 114.26 1slm s ASP 228 Ca -0.16 -1.30 0.26 0.00 -0.52 0.00 0.00 52.55 50.84 1slm s ASP 228 Cb 0.04 -1.79 1.16 0.00 -1.46 0.00 0.00 42.92 40.87 1slm s ASP 228 CO 0.63 -0.32 1.79 -0.07 0.52 0.00 0.00 175.17 177.72 1slm h LEU 229 N 8.10 0.00 -0.17 -1.34 3.38 -2.00 -1.78 115.31 121.50 1slm h LEU 229 Ca -0.21 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.63 1slm h LEU 229 Cb 1.07 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.80 1slm h LEU 229 CO 0.58 0.00 -0.64 0.71 0.09 0.00 0.00 178.44 179.19 1slm h THR 230 N 0.00 1.14 -0.15 0.22 1.35 -1.99 -2.98 112.91 110.50 1slm h THR 230 Ca 0.00 -2.47 0.00 0.00 -0.55 0.00 0.00 66.41 63.39 1slm h THR 230 Cb 0.32 2.46 0.00 0.00 -1.73 0.00 0.00 68.15 69.20 1slm h THR 230 CO 0.00 0.62 0.00 0.54 -0.25 0.00 0.00 175.52 176.43 1slm n ARG 231 N -3.33 1.67 -2.91 4.72 1.74 -0.67 -4.87 116.66 113.01 1slm n ARG 231 Ca 0.01 -0.68 -0.39 0.00 -0.77 0.00 0.00 57.85 56.01 1slm n ARG 231 Cb 0.76 -1.41 -0.06 0.00 -1.02 0.00 0.00 32.46 30.72 1slm n ARG 231 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 1slm s PHE 232 N -1.59 3.91 -0.13 -1.55 5.36 -1.13 -5.05 117.98 117.81 1slm s PHE 232 Ca 0.12 1.71 -0.31 0.00 -0.96 0.00 0.00 56.93 57.50 1slm s PHE 232 Cb 0.08 -2.83 0.13 0.00 -0.34 0.00 0.00 43.02 40.06 1slm s PHE 232 CO 0.06 0.48 1.03 -0.98 -1.46 0.00 0.00 175.22 174.35 1slm s ARG 233 N -1.25 0.57 0.35 10.12 1.70 -1.26 -5.11 118.95 124.07 1slm s ARG 233 Ca 0.38 -0.06 -0.28 0.00 -0.47 0.00 0.00 55.73 55.31 1slm s ARG 233 Cb -0.23 0.26 -0.09 0.00 -0.57 0.00 0.00 34.95 34.31 1slm s ARG 233 CO 0.27 -0.22 1.23 -0.51 -1.08 0.00 0.00 175.30 175.00 1slm s LEU 234 N -1.75 4.37 0.71 -1.89 1.43 -1.26 -4.89 118.68 115.40 1slm s LEU 234 Ca 0.03 2.52 -0.10 0.00 -1.03 0.00 0.00 54.13 55.56 1slm s LEU 234 Cb -0.01 -3.77 0.04 0.00 0.03 0.00 0.00 46.19 42.49 1slm s LEU 234 CO -0.04 -0.54 1.07 -0.94 0.23 0.00 0.00 176.35 176.14 1slm s SER 235 N -0.75 5.11 0.54 2.29 1.04 -1.26 -4.88 113.70 115.78 1slm s SER 235 Ca 0.51 0.84 0.19 0.00 0.48 0.00 0.00 55.95 57.97 1slm s SER 235 Cb -0.36 -1.57 1.39 0.00 0.10 0.00 0.00 66.02 65.59 1slm s SER 235 CO 0.47 -1.49 2.17 -0.61 0.98 0.00 0.00 173.24 174.76 1slm h GLN 236 N -0.67 0.00 -0.44 4.02 5.75 -1.95 -1.53 115.11 120.29 1slm h GLN 236 Ca -0.45 0.00 -0.05 0.00 -0.15 0.00 0.00 58.65 58.00 1slm h GLN 236 Cb 1.29 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.82 1slm h GLN 236 CO 0.63 0.00 0.08 0.22 -2.65 0.00 0.00 178.83 177.11 1slm h ASP 237 N 0.00 0.69 -0.35 -0.69 3.58 -1.98 0.20 116.42 117.87 1slm h ASP 237 Ca 0.00 -0.25 -0.03 0.00 0.42 0.00 0.00 57.03 57.17 1slm h ASP 237 Cb 0.01 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 40.86 1slm h ASP 237 CO -0.00 0.76 0.11 0.44 -2.88 0.00 0.00 179.24 177.68 1slm h ASP 238 N 0.58 0.50 -0.27 2.28 3.32 -1.67 -0.45 116.42 120.71 1slm h ASP 238 Ca 0.13 -0.20 -0.02 0.00 0.02 0.00 0.00 57.03 56.97 1slm h ASP 238 Cb 0.36 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.77 1slm h ASP 238 CO 0.01 0.57 0.11 0.40 -1.72 0.00 0.00 179.24 178.60 1slm h ILE 239 N 0.41 1.18 -0.82 0.35 2.04 -1.22 -1.25 117.51 118.20 1slm h ILE 239 Ca 0.11 -0.54 -0.02 0.00 1.00 0.00 0.00 64.86 65.42 1slm h ILE 239 Cb 0.24 1.02 -0.04 0.00 -0.74 0.00 0.00 36.82 37.30 1slm h ILE 239 CO -0.00 0.18 0.45 0.78 0.00 0.00 0.00 178.15 179.56 1slm h ASN 240 N 0.29 1.03 -0.27 1.72 2.35 -0.47 0.11 115.58 120.34 1slm h ASN 240 Ca 0.09 -0.10 -0.03 0.00 -0.55 0.00 0.00 56.30 55.72 1slm h ASN 240 Cb 0.18 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.28 1slm h ASN 240 CO -0.01 0.83 0.07 1.23 -1.65 0.00 0.00 177.43 177.90 1slm h GLY 241 N 1.14 0.47 1.50 2.83 0.00 -0.82 -1.92 103.07 106.28 1slm h GLY 241 Ca 0.29 -0.30 -0.17 0.00 0.00 0.00 0.00 47.33 47.15 1slm h GLY 241 CO -0.05 0.28 -0.63 1.19 0.00 0.00 0.00 176.54 177.33 1slm h ILE 242 N 0.28 1.34 0.00 2.60 6.09 -1.05 -3.10 117.51 123.66 1slm h ILE 242 Ca 0.09 -1.94 0.00 0.00 -1.37 0.00 0.00 64.86 61.64 1slm h ILE 242 Cb 0.29 1.92 0.00 0.00 0.47 0.00 0.00 36.82 39.49 1slm h ILE 242 CO 0.00 0.59 0.00 1.56 -3.07 0.00 0.00 178.15 177.24 1slm h GLN 243 N 0.37 0.00 0.00 2.19 4.20 -0.93 -2.54 115.11 118.40 1slm h GLN 243 Ca -0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.70 1slm h GLN 243 Cb 1.19 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.97 1slm h GLN 243 CO 0.12 0.00 0.00 -1.13 -0.67 0.00 0.00 178.83 177.15 1slm n SER 244 N -2.62 0.44 -0.12 1.46 3.41 -0.73 -0.87 113.62 114.59 1slm n SER 244 Ca 0.03 0.55 -0.22 0.00 -0.26 0.00 0.00 58.87 58.97 1slm n SER 244 Cb 0.35 -0.67 -0.10 0.00 -0.26 0.00 0.00 64.21 63.53 1slm n SER 244 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1slm n LEU 245 N -1.92 2.33 -0.00 1.04 4.77 -1.00 -4.76 117.00 117.45 1slm n LEU 245 Ca 0.05 0.10 0.05 0.00 -0.03 0.00 0.00 56.01 56.19 1slm n LEU 245 Cb 0.35 -0.77 -0.06 0.00 -2.33 0.00 0.00 43.42 40.61 1slm n LEU 245 CO 0.26 0.69 -0.04 -1.22 -1.33 0.00 0.00 177.39 175.76 1slm n TYR 246 N -3.68 0.00 0.00 -1.77 4.01 -0.99 -5.04 117.16 109.69 1slm n TYR 246 Ca -0.45 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.29 1slm n TYR 246 Cb 0.89 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.92 1slm n TYR 246 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1slm n GLY 247 N 1.26 -0.55 3.94 2.72 0.00 -0.05 -4.68 105.19 107.84 1slm n GLY 247 Ca 0.02 -1.78 -0.25 0.00 0.00 0.00 0.00 46.02 44.01 1slm n GLY 247 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1slm s PRO 248 N -1.13 2.02 0.34 1.61 0.04 -1.26 -4.50 135.00 132.12 1slm s PRO 248 Ca 0.00 -0.43 -0.27 0.00 0.04 0.00 0.00 61.00 60.33 1slm s PRO 248 Cb 0.00 -2.19 -0.09 0.00 0.04 0.00 0.00 34.50 32.26 1slm s PRO 248 CO 0.00 -1.32 1.15 -1.25 0.04 0.00 0.00 177.00 175.62 1slm s PRO 249 N -5.24 4.34 0.00 0.56 0.04 -1.26 -4.12 135.00 129.32 1slm s PRO 249 Ca 0.62 1.86 0.10 0.00 0.04 0.00 0.00 61.00 63.62 1slm s PRO 249 Cb -0.09 -2.93 0.60 0.00 0.04 0.00 0.00 34.50 32.12 1slm s PRO 249 CO 0.45 -0.07 1.04 -0.35 0.04 0.00 0.00 177.00 178.11