#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aig h LEU 12 N 0.00 0.89 -0.36 -2.67 3.38 -2.05 -1.40 115.31 113.10 1aig h LEU 12 Ca 0.00 -0.08 -0.16 0.00 0.09 0.00 0.00 57.88 57.73 1aig h LEU 12 Cb 0.00 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.52 1aig h LEU 12 CO 0.00 0.73 -0.41 0.00 0.09 0.00 0.00 178.44 178.85 1aig h ALA 13 N 1.42 0.53 -0.51 1.53 0.00 -2.05 -0.51 119.26 119.67 1aig h ALA 13 Ca 0.25 -0.46 -0.06 0.00 0.00 0.00 0.00 54.91 54.63 1aig h ALA 13 Cb 0.05 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1aig h ALA 13 CO -0.04 0.65 0.06 0.77 0.00 0.00 0.00 179.25 180.69 1aig h SER 14 N 0.71 0.78 -0.35 0.00 0.02 -1.91 -0.82 113.55 111.99 1aig h SER 14 Ca 0.05 -0.17 -0.17 0.00 -0.84 0.00 0.00 61.79 60.66 1aig h SER 14 Cb 1.01 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 63.34 1aig h SER 14 CO 0.10 0.81 -0.44 0.25 -1.14 0.00 0.00 176.83 176.41 1aig h LEU 15 N 0.78 0.99 -0.26 5.07 5.85 -1.12 -1.96 115.31 124.65 1aig h LEU 15 Ca 0.16 -0.49 -0.01 0.00 0.84 0.00 0.00 57.88 58.38 1aig h LEU 15 Cb 0.39 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 1aig h LEU 15 CO 0.01 1.28 0.14 0.00 -0.34 0.00 0.00 178.44 179.53 1aig h ALA 16 N 0.74 0.34 -0.28 1.25 0.00 -0.16 -1.37 119.26 119.78 1aig h ALA 16 Ca 0.04 -0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.77 1aig h ALA 16 Cb 1.04 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 1aig h ALA 16 CO 0.10 -0.12 -0.29 0.97 0.00 0.00 0.00 179.25 179.92 1aig h ILE 17 N 0.30 1.28 0.44 0.00 2.10 -1.23 -1.40 117.51 119.00 1aig h ILE 17 Ca 0.09 -1.37 -0.02 0.00 1.08 0.00 0.00 64.86 64.64 1aig h ILE 17 Cb 0.09 1.38 0.00 0.00 -1.09 0.00 0.00 36.82 37.20 1aig h ILE 17 CO -0.01 0.44 -0.21 0.22 -1.08 0.00 0.00 178.15 177.50 1aig h TYR 18 N 0.48 -0.55 0.00 2.19 3.20 -0.70 -2.25 116.97 119.35 1aig h TYR 18 Ca 0.06 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.92 1aig h TYR 18 Cb 0.74 0.18 0.00 0.00 1.54 0.00 0.00 36.73 39.20 1aig h TYR 18 CO 0.03 -0.30 0.00 0.66 -1.64 0.00 0.00 178.16 176.90 1aig h SER 19 N -0.65 0.00 -0.28 -2.11 4.64 -1.23 -2.66 113.55 111.25 1aig h SER 19 Ca -0.06 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.24 1aig h SER 19 Cb 0.49 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.56 1aig h SER 19 CO 0.10 0.00 0.11 0.15 -0.87 0.00 0.00 176.83 176.32 1aig h PHE 20 N 0.00 0.44 0.00 4.77 3.57 -0.64 -1.85 116.94 123.23 1aig h PHE 20 Ca 0.00 -0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.42 1aig h PHE 20 Cb 0.31 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 38.91 1aig h PHE 20 CO 0.00 0.44 -0.20 -1.49 -2.23 0.00 0.00 178.31 174.83 1aig h TRP 21 N 0.30 0.00 -0.38 0.41 4.06 -1.31 -0.61 115.95 118.43 1aig h TRP 21 Ca 0.09 0.00 -0.13 0.00 2.06 0.00 0.00 58.89 60.91 1aig h TRP 21 Cb 0.20 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.35 1aig h TRP 21 CO -0.00 0.20 -0.28 0.82 -3.56 0.00 0.00 178.44 175.62 1aig h ILE 22 N 0.00 1.28 -0.36 1.49 1.08 -1.45 -2.24 117.51 117.31 1aig h ILE 22 Ca -0.00 -1.44 -0.02 0.00 -0.39 0.00 0.00 64.86 63.01 1aig h ILE 22 Cb 0.59 1.37 -0.02 0.00 -3.07 0.00 0.00 36.82 35.70 1aig h ILE 22 CO 0.03 0.48 0.15 0.15 -0.69 0.00 0.00 178.15 178.26 1aig h PHE 23 N 0.65 0.53 0.00 1.37 3.57 -0.59 -2.22 116.94 120.26 1aig h PHE 23 Ca 0.07 -0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.51 1aig h PHE 23 Cb 0.85 -0.16 -0.00 0.00 2.79 0.00 0.00 35.95 39.43 1aig h PHE 23 CO 0.06 0.48 -0.12 1.25 -2.23 0.00 0.00 178.31 177.76 1aig h LEU 24 N 0.43 0.00 0.24 0.59 5.85 -1.13 0.14 115.31 121.43 1aig h LEU 24 Ca 0.12 0.00 -0.33 0.00 0.84 0.00 0.00 57.88 58.51 1aig h LEU 24 Cb 0.17 0.00 0.04 0.00 0.37 0.00 0.00 40.66 41.24 1aig h LEU 24 CO -0.01 0.12 -1.47 0.00 -0.34 0.00 0.00 178.44 176.74 1aig h ALA 25 N 1.88 -0.14 -0.25 1.25 0.00 -1.27 -1.14 119.26 119.59 1aig h ALA 25 Ca -0.00 -0.87 -0.13 0.00 0.00 0.00 0.00 54.91 53.92 1aig h ALA 25 Cb 0.56 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1aig h ALA 25 CO 0.02 0.73 -0.37 0.78 0.00 0.00 0.00 179.25 180.40 1aig h GLY 26 N 0.32 0.61 0.91 0.00 0.00 -1.13 -1.86 103.07 101.91 1aig h GLY 26 Ca -0.25 -0.58 -0.19 0.00 0.00 0.00 0.00 47.33 46.31 1aig h GLY 26 CO 0.27 0.53 -0.74 -2.00 0.00 0.00 0.00 176.54 174.59 1aig h LEU 27 N 0.47 0.64 -1.47 3.11 5.85 -0.78 -0.45 115.31 122.68 1aig h LEU 27 Ca 0.05 -0.76 -0.02 0.00 0.84 0.00 0.00 57.88 57.99 1aig h LEU 27 Cb 0.85 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.67 1aig h LEU 27 CO 0.07 1.32 0.15 0.40 -0.34 0.00 0.00 178.44 180.04 1aig h ILE 28 N 0.03 1.14 -0.26 4.05 2.04 -1.24 -0.97 117.51 122.30 1aig h ILE 28 Ca -0.10 -0.42 -0.00 0.00 1.00 0.00 0.00 64.86 65.34 1aig h ILE 28 Cb 1.44 0.71 -0.01 0.00 -0.74 0.00 0.00 36.82 38.22 1aig h ILE 28 CO 0.15 0.16 0.16 0.22 0.00 0.00 0.00 178.15 178.84 1aig h TYR 29 N 0.50 0.35 0.53 1.37 3.20 -1.14 -1.36 116.97 120.42 1aig h TYR 29 Ca 0.13 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.97 1aig h TYR 29 Cb 0.10 -0.11 0.00 0.00 1.54 0.00 0.00 36.73 38.26 1aig h TYR 29 CO 0.00 0.26 -0.26 -0.92 -1.64 0.00 0.00 178.16 175.61 1aig h TYR 30 N 0.33 -0.66 -0.15 -3.82 3.20 -0.79 -1.83 116.97 113.25 1aig h TYR 30 Ca 0.09 -0.02 0.02 0.00 3.14 0.00 0.00 58.73 61.97 1aig h TYR 30 Cb 0.01 0.22 -0.02 0.00 1.54 0.00 0.00 36.73 38.49 1aig h TYR 30 CO -0.05 -0.41 0.03 -0.07 -1.64 0.00 0.00 178.16 176.02 1aig h LEU 31 N -0.71 0.01 -1.05 2.82 3.38 -1.19 -1.68 115.31 116.89 1aig h LEU 31 Ca -0.07 0.02 -0.10 0.00 0.09 0.00 0.00 57.88 57.82 1aig h LEU 31 Cb 0.55 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 1aig h LEU 31 CO 0.12 0.03 -0.47 -0.61 0.09 0.00 0.00 178.44 177.60 1aig h GLN 32 N 0.09 0.02 -0.11 1.13 5.75 -1.25 -1.74 115.11 119.01 1aig h GLN 32 Ca 0.07 -0.01 -0.11 0.00 -0.15 0.00 0.00 58.65 58.44 1aig h GLN 32 Cb 0.06 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.59 1aig h GLN 32 CO -0.09 0.48 -0.44 1.79 -2.65 0.00 0.00 178.83 177.93 1aig h THR 33 N 0.01 1.32 0.00 2.39 1.35 -1.13 -2.74 112.91 114.12 1aig h THR 33 Ca -0.00 -1.58 -0.06 0.00 -0.55 0.00 0.00 66.41 64.21 1aig h THR 33 Cb 0.83 1.72 -0.01 0.00 -1.73 0.00 0.00 68.15 68.96 1aig h THR 33 CO 0.06 0.47 -0.31 -0.08 -0.25 0.00 0.00 175.52 175.42 1aig h GLU 34 N 0.21 0.00 -0.70 4.72 4.57 -0.47 -2.18 114.58 120.72 1aig h GLU 34 Ca 0.02 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.16 1aig h GLU 34 Cb 0.86 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.43 1aig h GLU 34 CO 0.07 0.31 0.04 0.09 -1.18 0.00 0.00 179.01 178.34 1aig n ASN 35 N -3.80 4.62 -0.61 1.04 3.02 -0.75 -3.46 115.26 115.33 1aig n ASN 35 Ca -0.01 -2.77 0.06 0.00 -0.03 0.00 0.00 54.58 51.82 1aig n ASN 35 Cb 0.40 -0.66 0.12 0.00 -0.61 0.00 0.00 39.78 39.03 1aig n ASN 35 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 1aig n MET 36 N 0.38 1.91 0.00 3.52 2.81 -0.82 -4.66 117.12 120.26 1aig n MET 36 Ca 0.24 -1.72 0.10 0.00 -1.81 0.00 0.00 57.70 54.51 1aig n MET 36 Cb 1.03 -1.27 0.53 0.00 -0.71 0.00 0.00 33.22 32.80 1aig n MET 36 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1aig n ARG 37 N 0.64 0.26 -3.94 0.03 1.74 -1.23 -4.21 116.66 109.96 1aig n ARG 37 Ca 0.10 0.09 -0.10 0.00 -0.77 0.00 0.00 57.85 57.18 1aig n ARG 37 Cb 0.38 -1.50 -0.10 0.00 -1.02 0.00 0.00 32.46 30.22 1aig n ARG 37 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1aig s GLU 38 N -2.64 0.40 0.00 5.56 2.02 -1.26 -4.03 118.70 118.75 1aig s GLU 38 Ca 0.19 -0.55 0.00 0.00 0.02 0.00 0.00 54.97 54.62 1aig s GLU 38 Cb 0.14 0.16 0.00 0.00 0.10 0.00 0.00 34.13 34.53 1aig s GLU 38 CO 0.34 -0.08 0.00 0.41 0.02 0.00 0.00 175.26 175.94 1aig n GLY 39 N 1.45 2.94 3.57 -1.39 0.00 -1.26 -5.00 105.19 105.50 1aig n GLY 39 Ca -0.23 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.48 1aig n GLY 39 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1aig s TYR 40 N -1.88 2.79 0.56 1.61 1.51 -1.26 -4.40 117.35 116.28 1aig s TYR 40 Ca 0.00 -0.12 -0.17 0.00 -1.01 0.00 0.00 57.07 55.77 1aig s TYR 40 Cb 0.00 -1.51 -0.05 0.00 -0.11 0.00 0.00 41.96 40.29 1aig s TYR 40 CO 0.00 0.38 1.05 -2.14 -1.11 0.00 0.00 175.55 173.74 1aig s PRO 41 N -1.80 3.45 0.43 -1.71 0.02 -1.26 -4.91 135.00 129.21 1aig s PRO 41 Ca 0.19 1.25 -0.25 0.00 0.02 0.00 0.00 61.00 62.21 1aig s PRO 41 Cb -0.11 -2.05 -0.08 0.00 0.02 0.00 0.00 34.50 32.28 1aig s PRO 41 CO 0.10 -0.71 1.30 -0.51 -0.33 0.00 0.00 177.00 176.85 1aig s LEU 42 N -4.23 4.14 0.31 -5.54 1.43 -1.26 -4.98 118.68 108.55 1aig s LEU 42 Ca 0.65 2.64 0.10 0.00 -1.03 0.00 0.00 54.13 56.49 1aig s LEU 42 Cb -0.16 -3.99 -0.05 0.00 0.03 0.00 0.00 46.19 42.02 1aig s LEU 42 CO 0.32 -0.95 -0.07 -1.61 0.23 0.00 0.00 176.35 174.27 1aig s GLU 43 N -2.38 1.96 0.79 1.70 2.02 -1.26 -1.95 118.70 119.58 1aig s GLU 43 Ca 0.59 -1.71 -0.09 0.00 0.02 0.00 0.00 54.97 53.78 1aig s GLU 43 Cb -0.37 -1.90 0.11 0.00 0.10 0.00 0.00 34.13 32.07 1aig s GLU 43 CO 0.47 0.24 1.12 -0.80 0.02 0.00 0.00 175.26 176.32 1aig s ASN 44 N -3.63 4.28 0.13 -0.19 0.01 -0.56 -4.54 114.94 110.44 1aig s ASN 44 Ca 0.32 0.37 0.09 0.00 -0.71 0.00 0.00 52.86 52.93 1aig s ASN 44 Cb -0.03 -0.80 0.49 0.00 0.41 0.00 0.00 41.25 41.33 1aig s ASN 44 CO 0.18 -1.97 1.28 -0.62 -1.51 0.00 0.00 177.10 174.46 1aig n GLU 45 N -3.19 0.06 0.00 -0.60 1.02 -1.26 -1.47 120.64 115.20 1aig n GLU 45 Ca 0.11 0.55 0.11 0.00 -0.02 0.00 0.00 57.16 57.90 1aig n GLU 45 Cb 0.60 -1.69 -0.04 0.00 -0.02 0.00 0.00 31.44 30.29 1aig n GLU 45 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1aig n ASP 46 N -1.81 0.78 0.00 1.62 5.68 -1.26 -5.00 116.55 116.56 1aig n ASP 46 Ca -0.00 -0.69 0.00 0.00 -0.50 0.00 0.00 54.79 53.60 1aig n ASP 46 Cb 0.02 0.92 0.00 0.00 -1.14 0.00 0.00 41.12 40.92 1aig n ASP 46 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1aig n GLY 47 N 1.46 2.76 3.77 6.12 0.00 -0.54 -5.08 105.19 113.69 1aig n GLY 47 Ca 0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.66 1aig n GLY 47 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1aig s THR 48 N -2.49 3.34 -0.24 2.61 -4.23 -1.26 -4.74 115.64 108.63 1aig s THR 48 Ca 0.00 1.21 -0.42 0.00 -1.18 0.00 0.00 61.69 61.30 1aig s THR 48 Cb 0.00 -3.72 -0.18 0.00 1.34 0.00 0.00 72.50 69.93 1aig s THR 48 CO 0.00 0.19 1.47 -2.65 -0.54 0.00 0.00 174.62 173.09 1aig n PRO 49 N 0.57 0.45 -2.49 3.99 -0.02 -1.26 -1.50 135.00 134.74 1aig n PRO 49 Ca 0.02 0.17 -0.38 0.00 -2.02 0.00 0.00 63.50 61.29 1aig n PRO 49 Cb 0.46 -1.73 -0.04 0.00 -0.02 0.00 0.00 33.50 32.17 1aig n PRO 49 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1aig s ALA 50 N 2.02 3.18 0.07 3.55 0.00 -0.82 -4.67 121.76 125.09 1aig s ALA 50 Ca 0.97 0.79 -0.22 0.00 0.00 0.00 0.00 51.96 53.49 1aig s ALA 50 Cb -1.26 -3.30 -0.13 0.00 0.00 0.00 0.00 23.12 18.43 1aig s ALA 50 CO 0.67 -0.24 1.61 0.00 0.00 0.00 0.00 175.76 177.79 1aig h ALA 51 N 2.86 0.12 -1.97 0.00 0.00 -1.92 -3.39 119.26 114.97 1aig h ALA 51 Ca -0.48 -0.09 -0.59 0.00 0.00 0.00 0.00 54.91 53.75 1aig h ALA 51 Cb 1.22 -0.04 -0.09 0.00 0.00 0.00 0.00 17.79 18.88 1aig h ALA 51 CO 0.64 -0.29 0.68 1.21 0.00 0.00 0.00 179.25 181.48 1aig s ASN 52 N -5.47 6.69 0.00 0.00 2.47 -1.26 -4.85 114.94 112.51 1aig s ASN 52 Ca -0.14 0.59 0.24 0.00 0.42 0.00 0.00 52.86 53.97 1aig s ASN 52 Cb 0.06 -2.49 0.16 0.00 -1.45 0.00 0.00 41.25 37.53 1aig s ASN 52 CO 0.69 -0.93 1.21 1.67 -3.72 0.00 0.00 177.10 176.01 1aig n GLN 53 N 6.97 1.64 0.00 0.43 -0.06 -1.26 -4.90 117.38 120.20 1aig n GLN 53 Ca 0.08 -1.33 0.00 0.00 -2.00 0.00 0.00 57.00 53.75 1aig n GLN 53 Cb 0.48 -1.47 0.00 0.00 -4.06 0.00 0.00 30.24 25.19 1aig n GLN 53 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1aig n GLY 54 N 1.38 -1.65 0.00 1.69 0.00 -1.26 -4.70 105.19 100.64 1aig n GLY 54 Ca 0.12 -1.40 0.05 0.00 0.00 0.00 0.00 46.02 44.79 1aig n GLY 54 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1aig n PRO 55 N -0.68 0.42 -4.88 1.61 -0.04 -1.26 -4.68 135.00 125.48 1aig n PRO 55 Ca 0.00 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.15 1aig n PRO 55 Cb 0.00 -1.37 -0.14 0.00 -0.04 0.00 0.00 33.50 31.96 1aig n PRO 55 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1aig s PHE 56 N -2.00 2.51 0.09 0.54 0.40 -1.26 -5.12 117.98 113.14 1aig s PHE 56 Ca 0.15 -0.29 -0.26 0.00 -0.60 0.00 0.00 56.93 55.92 1aig s PHE 56 Cb 0.07 -1.50 -0.06 0.00 0.51 0.00 0.00 43.02 42.04 1aig s PHE 56 CO 0.11 0.16 0.81 -2.14 0.70 0.00 0.00 175.22 174.87 1aig s PRO 57 N -1.07 4.56 0.34 0.24 0.02 -1.26 -5.04 135.00 132.79 1aig s PRO 57 Ca 0.12 1.18 -0.28 0.00 0.02 0.00 0.00 61.00 62.04 1aig s PRO 57 Cb -0.10 -3.35 -0.12 0.00 0.02 0.00 0.00 34.50 30.95 1aig s PRO 57 CO 0.02 0.33 1.29 1.28 -0.33 0.00 0.00 177.00 179.59 1aig n LEU 58 N 2.55 3.55 -4.89 -5.54 4.77 -1.26 -4.82 117.00 111.36 1aig n LEU 58 Ca -0.02 1.21 -0.29 0.00 -0.03 0.00 0.00 56.01 56.88 1aig n LEU 58 Cb 0.50 -1.48 0.01 0.00 -2.33 0.00 0.00 43.42 40.11 1aig n LEU 58 CO 0.48 -0.50 0.58 -2.16 -1.33 0.00 0.00 177.39 174.46 1aig s PRO 59 N -1.89 3.45 0.27 3.23 0.04 -1.26 -5.05 135.00 133.79 1aig s PRO 59 Ca 0.56 0.41 -0.30 0.00 0.04 0.00 0.00 61.00 61.71 1aig s PRO 59 Cb -0.57 -2.22 -0.11 0.00 0.04 0.00 0.00 34.50 31.64 1aig s PRO 59 CO 0.62 -0.46 1.51 -1.59 0.04 0.00 0.00 177.00 177.13 1aig s LYS 60 N -4.98 4.20 0.26 4.56 0.00 -1.26 -4.69 119.74 117.83 1aig s LYS 60 Ca 0.52 2.42 -0.27 0.00 0.00 0.00 0.00 55.97 58.64 1aig s LYS 60 Cb -0.11 -3.07 -0.15 0.00 0.00 0.00 0.00 37.83 34.50 1aig s LYS 60 CO 0.49 -0.52 0.70 -2.30 0.00 0.00 0.00 175.35 173.72 1aig n PRO 61 N 2.32 0.56 -4.52 1.78 -0.02 -1.26 -4.87 135.00 128.99 1aig n PRO 61 Ca 0.08 0.20 -0.33 0.00 -2.02 0.00 0.00 63.50 61.42 1aig n PRO 61 Cb 0.39 -1.36 -0.11 0.00 -0.02 0.00 0.00 33.50 32.40 1aig n PRO 61 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1aig s LYS 62 N -1.26 2.66 -0.10 -0.52 2.20 -0.62 -4.99 119.74 117.11 1aig s LYS 62 Ca 0.62 -0.64 0.03 0.00 -0.36 0.00 0.00 55.97 55.62 1aig s LYS 62 Cb -0.81 -2.55 0.01 0.00 -1.51 0.00 0.00 37.83 32.97 1aig s LYS 62 CO 0.58 0.63 -0.17 0.99 -0.36 0.00 0.00 175.35 177.02 1aig s THR 63 N -0.92 1.58 -0.05 3.43 2.01 -1.26 -2.10 115.64 118.33 1aig s THR 63 Ca 0.15 -0.72 -0.14 0.00 0.31 0.00 0.00 61.69 61.30 1aig s THR 63 Cb -0.11 -1.42 -0.05 0.00 0.01 0.00 0.00 72.50 70.93 1aig s THR 63 CO 0.05 0.46 0.35 -0.36 -0.69 0.00 0.00 174.62 174.43 1aig s PHE 64 N 0.71 3.65 -0.37 4.92 0.08 0.30 -4.94 117.98 122.32 1aig s PHE 64 Ca -0.12 0.85 -0.16 0.00 0.12 0.00 0.00 56.93 57.62 1aig s PHE 64 Cb -0.16 -2.26 0.00 0.00 -0.57 0.00 0.00 43.02 40.03 1aig s PHE 64 CO 0.03 0.56 0.38 0.42 -0.10 0.00 0.00 175.22 176.52 1aig s ILE 65 N -0.71 5.15 -0.06 0.64 1.01 -1.26 -1.67 121.20 124.30 1aig s ILE 65 Ca 0.21 -0.11 -0.23 0.00 0.00 0.00 0.00 60.65 60.52 1aig s ILE 65 Cb -0.15 -3.90 -0.04 0.00 0.01 0.00 0.00 42.46 38.38 1aig s ILE 65 CO 0.10 -0.21 0.69 -0.76 0.00 0.00 0.00 174.94 174.76 1aig s LEU 66 N 2.04 4.33 0.47 2.97 1.02 -0.60 -4.99 118.68 123.93 1aig s LEU 66 Ca 0.12 1.20 -0.22 0.00 0.02 0.00 0.00 54.13 55.24 1aig s LEU 66 Cb -0.17 -3.07 -0.07 0.00 0.02 0.00 0.00 46.19 42.90 1aig s LEU 66 CO 0.12 -0.09 1.15 -2.16 0.02 0.00 0.00 176.35 175.40 1aig s PRO 67 N 0.67 3.70 -1.23 1.29 0.04 -1.26 -3.83 135.00 134.38 1aig s PRO 67 Ca 0.37 1.73 -0.05 0.00 0.04 0.00 0.00 61.00 63.09 1aig s PRO 67 Cb -0.18 -2.34 0.01 0.00 0.04 0.00 0.00 34.50 32.03 1aig s PRO 67 CO 0.18 -0.59 1.06 0.72 0.04 0.00 0.00 177.00 178.41 1aig n HIS 68 N -0.62 -2.49 -1.99 0.56 8.25 -1.26 -3.87 115.22 113.80 1aig n HIS 68 Ca 0.08 0.94 -0.06 0.00 -0.26 0.00 0.00 57.72 58.42 1aig n HIS 68 Cb 0.49 -4.88 -0.01 0.00 1.12 0.00 0.00 29.99 26.71 1aig n HIS 68 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1aig n GLY 69 N -1.62 0.22 0.05 -1.41 0.00 -1.26 -4.91 105.19 96.26 1aig n GLY 69 Ca -0.10 -0.65 0.12 0.00 0.00 0.00 0.00 46.02 45.39 1aig n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1aig n ARG 70 N -1.77 0.24 0.00 1.61 5.12 -1.25 -5.04 116.66 115.57 1aig n ARG 70 Ca -0.07 0.07 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 1aig n ARG 70 Cb 0.51 -1.65 0.00 0.00 -1.16 0.00 0.00 32.46 30.15 1aig n ARG 70 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1aig n GLY 71 N 1.36 0.86 3.44 -0.13 0.00 -1.25 -4.92 105.19 104.55 1aig n GLY 71 Ca 0.04 -1.29 -0.10 0.00 0.00 0.00 0.00 46.02 44.67 1aig n GLY 71 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1aig s THR 72 N 0.00 0.00 -0.05 2.61 -4.23 -1.26 -1.56 115.64 111.15 1aig s THR 72 Ca 0.00 -1.64 0.00 0.00 -1.18 0.00 0.00 61.69 58.88 1aig s THR 72 Cb 0.00 -2.32 0.02 0.00 1.34 0.00 0.00 72.50 71.54 1aig s THR 72 CO 0.00 0.00 -0.03 -0.22 -0.54 0.00 0.00 174.62 173.83 1aig s LEU 73 N -3.07 1.17 -0.19 4.79 0.20 -0.67 -4.89 118.68 116.02 1aig s LEU 73 Ca 0.29 -0.10 -0.00 0.00 0.69 0.00 0.00 54.13 55.00 1aig s LEU 73 Cb 0.02 -0.40 0.05 0.00 -0.43 0.00 0.00 46.19 45.43 1aig s LEU 73 CO 0.10 -0.09 -0.05 -0.89 -0.29 0.00 0.00 176.35 175.13 1aig s THR 74 N 1.12 1.22 -0.11 3.68 2.01 -1.26 -0.54 115.64 121.75 1aig s THR 74 Ca -0.08 -0.79 0.03 0.00 0.31 0.00 0.00 61.69 61.15 1aig s THR 74 Cb -0.14 -1.43 0.01 0.00 0.01 0.00 0.00 72.50 70.95 1aig s THR 74 CO -0.01 0.06 -0.20 0.54 -0.69 0.00 0.00 174.62 174.32 1aig s VAL 75 N 1.57 1.80 0.71 3.82 0.11 -0.89 -3.23 120.40 124.29 1aig s VAL 75 Ca -0.01 -0.84 -0.11 0.00 -2.93 0.00 0.00 61.98 58.09 1aig s VAL 75 Cb -0.16 -1.59 0.02 0.00 -1.53 0.00 0.00 36.38 33.11 1aig s VAL 75 CO -0.07 0.50 1.07 -2.16 -3.33 0.00 0.00 175.10 171.11 1aig s PRO 76 N 0.71 2.73 0.00 1.54 0.04 -1.26 -1.59 135.00 137.18 1aig s PRO 76 Ca -0.11 1.07 0.00 0.00 0.04 0.00 0.00 61.00 62.00 1aig s PRO 76 Cb -0.16 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.42 1aig s PRO 76 CO 0.02 -1.27 0.00 0.41 0.04 0.00 0.00 177.00 176.20 1aig n GLY 77 N -1.57 3.87 3.75 0.56 0.00 -1.20 -4.81 105.19 105.79 1aig n GLY 77 Ca 0.08 -1.59 -0.41 0.00 0.00 0.00 0.00 46.02 44.10 1aig n GLY 77 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1aig s PRO 78 N -1.90 4.45 0.22 1.61 0.02 -1.26 -4.96 135.00 133.17 1aig s PRO 78 Ca 0.00 2.01 -0.32 0.00 0.02 0.00 0.00 61.00 62.71 1aig s PRO 78 Cb 0.00 -3.18 -0.13 0.00 0.02 0.00 0.00 34.50 31.21 1aig s PRO 78 CO 0.00 -0.12 1.54 -0.85 -0.33 0.00 0.00 177.00 177.24 1aig n GLU 79 N 1.96 2.31 0.00 5.54 0.00 -1.26 -4.92 120.64 124.27 1aig n GLU 79 Ca 0.03 0.83 0.03 0.00 0.00 0.00 0.00 57.16 58.05 1aig n GLU 79 Cb 0.43 -2.57 0.18 0.00 0.00 0.00 0.00 31.44 29.48 1aig n GLU 79 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.13 176.00 1aig n SER 80 N 2.82 0.00 -4.76 -1.84 3.41 -1.26 -4.80 113.62 107.19 1aig n SER 80 Ca 0.13 -1.10 -0.39 0.00 -0.26 0.00 0.00 58.87 57.25 1aig n SER 80 Cb 0.32 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.22 1aig n SER 80 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1aig s GLU 81 N -2.00 4.45 0.00 4.33 0.41 -1.26 -4.87 118.70 119.77 1aig s GLU 81 Ca 0.09 1.00 0.00 0.00 -0.41 0.00 0.00 54.97 55.65 1aig s GLU 81 Cb 0.04 -3.33 0.00 0.00 -1.78 0.00 0.00 34.13 29.06 1aig s GLU 81 CO 0.07 0.38 0.00 -0.40 -0.49 0.00 0.00 175.26 174.82 1aig n ASP 82 N 2.50 0.00 -4.65 -0.19 5.68 -1.26 -5.14 116.55 113.49 1aig n ASP 82 Ca -0.04 0.00 -0.47 0.00 -0.50 0.00 0.00 54.79 53.78 1aig n ASP 82 Cb 0.50 0.19 -0.04 0.00 -1.14 0.00 0.00 41.12 40.63 1aig n ASP 82 CO 0.00 0.00 0.00 -2.11 -1.33 0.00 0.00 177.20 173.76 1aig n ARG 83 N -2.01 1.87 -1.63 0.11 1.85 -1.26 -4.90 116.66 110.68 1aig n ARG 83 Ca 0.00 0.67 -0.49 0.00 -1.00 0.00 0.00 57.85 57.03 1aig n ARG 83 Cb 0.00 -2.35 -0.05 0.00 -1.05 0.00 0.00 32.46 29.01 1aig n ARG 83 CO 0.00 0.00 0.00 -2.30 -0.01 0.00 0.00 177.63 175.32 1aig n PRO 84 N 2.57 1.69 -3.32 2.89 -0.02 -1.26 -4.97 135.00 132.57 1aig n PRO 84 Ca 0.15 0.61 -0.44 0.00 -2.02 0.00 0.00 63.50 61.80 1aig n PRO 84 Cb 0.28 -2.31 -0.08 0.00 -0.02 0.00 0.00 33.50 31.37 1aig n PRO 84 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1aig s ILE 85 N 0.64 5.11 -1.17 4.25 -1.09 -1.26 -5.01 121.20 122.66 1aig s ILE 85 Ca 0.80 -0.64 -0.15 0.00 -2.23 0.00 0.00 60.65 58.44 1aig s ILE 85 Cb -0.80 -4.11 0.16 0.00 -1.58 0.00 0.00 42.46 36.13 1aig s ILE 85 CO 0.43 -0.54 1.41 0.00 -1.23 0.00 0.00 174.94 175.01 1aig s ALA 86 N 2.04 3.86 -0.18 9.38 0.00 -1.26 -4.89 121.76 130.70 1aig s ALA 86 Ca 0.09 -3.25 -0.09 0.00 0.00 0.00 0.00 51.96 48.71 1aig s ALA 86 Cb -0.20 -4.15 0.07 0.00 0.00 0.00 0.00 23.12 18.83 1aig s ALA 86 CO 0.11 -2.84 0.44 -1.17 0.00 0.00 0.00 175.76 172.29 1aig s LEU 87 N 1.92 -0.26 -0.03 0.00 2.96 -1.26 -1.28 118.68 120.73 1aig s LEU 87 Ca 0.42 0.97 0.07 0.00 -0.22 0.00 0.00 54.13 55.36 1aig s LEU 87 Cb -0.03 1.44 -0.02 0.00 0.50 0.00 0.00 46.19 48.09 1aig s LEU 87 CO -0.01 -0.20 -0.23 0.00 -1.32 0.00 0.00 176.35 174.59 1aig s ALA 88 N 1.61 2.29 0.34 5.97 0.00 -0.40 -4.87 121.76 126.69 1aig s ALA 88 Ca -0.08 -1.07 -0.26 0.00 0.00 0.00 0.00 51.96 50.54 1aig s ALA 88 Cb -0.09 -0.68 -0.13 0.00 0.00 0.00 0.00 23.12 22.23 1aig s ALA 88 CO -0.13 0.51 0.87 -2.13 0.00 0.00 0.00 175.76 174.88 1aig n ARG 89 N 2.50 1.08 0.00 0.00 0.63 -1.26 -1.37 116.66 118.24 1aig n ARG 89 Ca -0.17 0.38 0.06 0.00 -0.92 0.00 0.00 57.85 57.21 1aig n ARG 89 Cb 0.51 -1.75 0.04 0.00 0.45 0.00 0.00 32.46 31.71 1aig n ARG 89 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 1aig n THR 90 N -0.20 0.00 -3.69 5.15 -2.24 -0.99 -4.80 114.28 107.51 1aig n THR 90 Ca 0.11 -0.48 -0.13 0.00 -2.27 0.00 0.00 64.05 61.27 1aig n THR 90 Cb 0.35 1.24 -0.07 0.00 -2.10 0.00 0.00 70.33 69.74 1aig n THR 90 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1aig s ALA 91 N -1.07 -0.96 0.21 6.98 0.00 -1.26 -5.02 121.76 120.64 1aig s ALA 91 Ca 0.13 0.35 -0.09 0.00 0.00 0.00 0.00 51.96 52.36 1aig s ALA 91 Cb 0.10 0.23 0.16 0.00 0.00 0.00 0.00 23.12 23.61 1aig s ALA 91 CO 0.17 -0.38 1.82 0.28 0.00 0.00 0.00 175.76 177.64 1aig h VAL 92 N 3.29 1.24 -3.97 0.00 2.07 -2.01 -3.44 116.25 113.43 1aig h VAL 92 Ca -0.30 -0.62 -0.46 0.00 0.82 0.00 0.00 66.70 66.13 1aig h VAL 92 Cb 1.19 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 31.17 1aig h VAL 92 CO 0.42 0.27 0.36 -0.94 0.02 0.00 0.00 177.57 177.70 1aig s SER 93 N -6.14 7.04 0.30 0.57 1.04 -1.26 -5.05 113.70 110.20 1aig s SER 93 Ca -0.13 1.82 -0.29 0.00 0.48 0.00 0.00 55.95 57.84 1aig s SER 93 Cb 0.15 -2.57 -0.10 0.00 0.10 0.00 0.00 66.02 63.61 1aig s SER 93 CO 0.81 -0.28 1.21 -1.61 0.98 0.00 0.00 173.24 174.35 1aig s GLU 94 N -2.60 4.49 0.00 4.02 0.41 -1.26 -4.17 118.70 119.59 1aig s GLU 94 Ca 0.57 2.02 0.00 0.00 -0.41 0.00 0.00 54.97 57.14 1aig s GLU 94 Cb -0.16 -3.13 0.00 0.00 -1.78 0.00 0.00 34.13 29.06 1aig s GLU 94 CO 0.20 -0.02 0.00 0.41 -0.49 0.00 0.00 175.26 175.37 1aig n GLY 95 N 1.11 1.78 3.46 -1.39 0.00 -1.26 -5.13 105.19 103.75 1aig n GLY 95 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 1aig n GLY 95 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1aig s PHE 96 N -2.00 2.28 0.85 1.61 0.40 -1.26 -5.12 117.98 114.74 1aig s PHE 96 Ca 0.00 -0.34 -0.14 0.00 -0.60 0.00 0.00 56.93 55.85 1aig s PHE 96 Cb 0.00 -1.01 0.03 0.00 0.51 0.00 0.00 43.02 42.55 1aig s PHE 96 CO 0.00 0.68 0.63 -2.30 0.70 0.00 0.00 175.22 174.93 1aig n PRO 97 N -0.48 -0.03 -4.03 0.24 -0.02 -1.26 -4.78 135.00 124.64 1aig n PRO 97 Ca -0.06 0.05 -0.31 0.00 -2.02 0.00 0.00 63.50 61.15 1aig n PRO 97 Cb 0.59 -1.99 -0.15 0.00 -0.02 0.00 0.00 33.50 31.94 1aig n PRO 97 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 1aig s HIS 98 N -2.21 3.15 0.39 6.00 3.76 -1.26 -2.34 115.29 122.78 1aig s HIS 98 Ca 0.63 -2.31 -0.25 0.00 -0.15 0.00 0.00 55.06 52.98 1aig s HIS 98 Cb -0.27 -2.01 -0.09 0.00 1.11 0.00 0.00 32.58 31.32 1aig s HIS 98 CO 0.61 -0.87 1.11 0.00 -0.85 0.00 0.00 174.74 174.74 1aig s ALA 99 N 1.14 3.14 0.25 -1.40 0.00 -0.47 -4.66 121.76 119.75 1aig s ALA 99 Ca -0.05 0.84 -0.31 0.00 0.00 0.00 0.00 51.96 52.44 1aig s ALA 99 Cb -0.20 -3.33 -0.12 0.00 0.00 0.00 0.00 23.12 19.48 1aig s ALA 99 CO -0.06 -0.36 1.65 -2.14 0.00 0.00 0.00 175.76 174.85 1aig s PRO 100 N -2.31 4.13 0.16 0.00 0.02 -1.26 -1.28 135.00 134.46 1aig s PRO 100 Ca 0.56 2.58 0.03 0.00 0.02 0.00 0.00 61.00 64.20 1aig s PRO 100 Cb -0.27 -3.05 -0.02 0.00 0.02 0.00 0.00 34.50 31.18 1aig s PRO 100 CO 0.34 -0.69 1.37 1.79 -0.33 0.00 0.00 177.00 179.48 1aig h THR 101 N 3.61 1.52 0.00 0.99 1.35 -1.52 -3.46 112.91 115.40 1aig h THR 101 Ca -0.45 -2.70 0.00 0.00 -0.55 0.00 0.00 66.41 62.71 1aig h THR 101 Cb 1.21 2.51 0.00 0.00 -1.73 0.00 0.00 68.15 70.14 1aig h THR 101 CO 0.87 0.78 0.00 0.61 -0.25 0.00 0.00 175.52 177.54 1aig n GLY 102 N 0.92 2.13 3.60 5.82 0.00 -1.26 -5.05 105.19 111.34 1aig n GLY 102 Ca -0.03 -0.12 -0.38 0.00 0.00 0.00 0.00 46.02 45.49 1aig n GLY 102 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1aig s ASP 103 N 0.82 6.10 0.43 1.61 -1.08 -1.26 -4.99 116.67 118.29 1aig s ASP 103 Ca 0.00 0.10 0.11 0.00 -0.52 0.00 0.00 52.55 52.24 1aig s ASP 103 Cb 0.00 -2.15 0.97 0.00 -1.46 0.00 0.00 42.92 40.28 1aig s ASP 103 CO 0.00 -0.08 2.02 1.55 0.52 0.00 0.00 175.17 179.18 1aig h PRO 104 N 8.22 0.44 -0.11 4.34 0.13 -1.92 -0.72 132.00 142.38 1aig h PRO 104 Ca -0.34 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 64.75 1aig h PRO 104 Cb 1.18 -0.10 -0.00 0.00 0.13 0.00 0.00 31.00 32.21 1aig h PRO 104 CO 0.59 0.29 0.04 0.52 -0.23 0.00 0.00 178.00 179.20 1aig h MET 105 N 0.45 0.18 0.21 0.86 2.86 -1.93 -2.11 114.93 115.45 1aig h MET 105 Ca 0.21 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.80 1aig h MET 105 Cb 0.27 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.90 1aig h MET 105 CO -0.05 0.32 -0.10 0.87 1.06 0.00 0.00 176.91 179.00 1aig h LYS 106 N 0.00 -0.28 0.00 1.72 1.79 -1.87 -3.33 116.57 114.60 1aig h LYS 106 Ca 0.04 0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.53 1aig h LYS 106 Cb 0.22 0.06 0.00 0.00 -1.58 0.00 0.00 32.23 30.93 1aig h LYS 106 CO -0.00 0.10 0.00 -0.25 -1.08 0.00 0.00 179.45 178.22 1aig n ASP 107 N -5.02 0.33 -1.24 0.86 8.00 -0.31 -4.89 116.55 114.28 1aig n ASP 107 Ca -0.09 0.60 -0.05 0.00 0.71 0.00 0.00 54.79 55.97 1aig n ASP 107 Cb 0.26 -0.66 0.02 0.00 -0.02 0.00 0.00 41.12 40.71 1aig n ASP 107 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1aig n GLY 108 N -0.53 0.54 3.50 0.44 0.00 -0.94 -4.57 105.19 103.63 1aig n GLY 108 Ca 0.01 -0.45 -0.24 0.00 0.00 0.00 0.00 46.02 45.34 1aig n GLY 108 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1aig s VAL 109 N -3.07 2.16 0.00 1.61 0.11 -0.84 -3.54 120.40 116.83 1aig s VAL 109 Ca 0.09 -2.23 0.00 0.00 -2.93 0.00 0.00 61.98 56.91 1aig s VAL 109 Cb -0.04 -2.52 0.00 0.00 -1.53 0.00 0.00 36.38 32.29 1aig s VAL 109 CO 0.15 -0.28 0.00 0.61 -3.33 0.00 0.00 175.10 172.26 1aig n GLY 110 N -0.70 3.09 0.00 6.54 0.00 -1.26 -0.83 105.19 112.02 1aig n GLY 110 Ca -0.05 -0.31 0.05 0.00 0.00 0.00 0.00 46.02 45.70 1aig n GLY 110 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1aig n PRO 111 N 13.95 0.23 -0.52 1.61 -0.04 -1.26 -1.11 135.00 147.86 1aig n PRO 111 Ca 0.00 0.08 0.09 0.00 -0.04 0.00 0.00 63.50 63.63 1aig n PRO 111 Cb 0.00 -1.50 0.32 0.00 -0.04 0.00 0.00 33.50 32.28 1aig n PRO 111 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1aig n ALA 112 N -1.12 2.89 -1.76 0.55 0.00 -0.01 -2.37 120.51 118.69 1aig n ALA 112 Ca 0.06 -1.58 -0.39 0.00 0.00 0.00 0.00 53.44 51.53 1aig n ALA 112 Cb 0.05 -0.90 0.03 0.00 0.00 0.00 0.00 19.45 18.62 1aig n ALA 112 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1aig s SER 113 N -1.03 5.62 0.07 0.00 0.01 -0.27 -3.64 113.70 114.46 1aig s SER 113 Ca 0.47 2.74 0.01 0.00 1.31 0.00 0.00 55.95 60.47 1aig s SER 113 Cb 0.30 -2.64 -0.04 0.00 0.21 0.00 0.00 66.02 63.85 1aig s SER 113 CO 0.23 -1.33 -0.05 -1.66 0.41 0.00 0.00 173.24 170.83 1aig s TRP 114 N -1.30 0.72 0.09 2.43 1.48 -1.24 -4.35 118.94 116.78 1aig s TRP 114 Ca 0.67 -0.93 0.08 0.00 -1.06 0.00 0.00 56.10 54.86 1aig s TRP 114 Cb -0.40 -0.45 -0.04 0.00 -1.16 0.00 0.00 33.47 31.42 1aig s TRP 114 CO 0.48 -0.23 -0.15 0.08 -4.06 0.00 0.00 176.95 173.07 1aig s VAL 115 N -3.50 3.02 -1.26 -0.66 1.01 -1.26 -5.01 120.40 112.73 1aig s VAL 115 Ca 0.08 -1.34 -0.17 0.00 0.00 0.00 0.00 61.98 60.55 1aig s VAL 115 Cb 0.05 -2.37 -0.01 0.00 0.00 0.00 0.00 36.38 34.05 1aig s VAL 115 CO -0.06 0.17 2.04 0.00 0.00 0.00 0.00 175.10 177.25 1aig n ALA 116 N 0.96 4.39 -1.78 5.51 0.00 -1.26 -4.81 120.51 123.53 1aig n ALA 116 Ca -0.15 -3.69 -0.30 0.00 0.00 0.00 0.00 53.44 49.29 1aig n ALA 116 Cb 0.52 -3.57 0.04 0.00 0.00 0.00 0.00 19.45 16.45 1aig n ALA 116 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1aig s ARG 117 N 4.04 2.97 -0.10 0.00 0.52 -1.26 -4.92 118.95 120.20 1aig s ARG 117 Ca 0.52 0.66 -0.37 0.00 -0.52 0.00 0.00 55.73 56.02 1aig s ARG 117 Cb 0.11 -2.02 -0.14 0.00 0.52 0.00 0.00 34.95 33.42 1aig s ARG 117 CO 0.01 -1.00 1.71 -2.13 0.02 0.00 0.00 175.30 173.91 1aig n ARG 118 N -3.02 1.64 -1.54 3.54 0.63 -1.26 -3.81 116.66 112.83 1aig n ARG 118 Ca 0.07 0.60 -0.41 0.00 -0.92 0.00 0.00 57.85 57.19 1aig n ARG 118 Cb 0.55 -2.34 -0.01 0.00 0.45 0.00 0.00 32.46 31.11 1aig n ARG 118 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 1aig n ASP 119 N 5.13 5.57 -3.66 6.15 2.03 -1.26 -2.42 116.55 128.09 1aig n ASP 119 Ca 0.23 -2.73 -0.15 0.00 0.52 0.00 0.00 54.79 52.66 1aig n ASP 119 Cb 0.22 -1.59 -0.08 0.00 -0.72 0.00 0.00 41.12 38.95 1aig n ASP 119 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1aig s LEU 120 N 1.41 0.20 0.61 -2.67 1.43 -1.26 -4.91 118.68 113.49 1aig s LEU 120 Ca 0.55 0.39 -0.18 0.00 -1.03 0.00 0.00 54.13 53.87 1aig s LEU 120 Cb 0.15 1.81 -0.03 0.00 0.03 0.00 0.00 46.19 48.16 1aig s LEU 120 CO -0.07 -0.50 1.18 -2.84 0.23 0.00 0.00 176.35 174.35 1aig s PRO 121 N -1.18 2.91 0.27 1.29 0.02 -1.26 -1.36 135.00 135.70 1aig s PRO 121 Ca -0.12 1.72 -0.29 0.00 0.02 0.00 0.00 61.00 62.33 1aig s PRO 121 Cb -0.03 -1.93 -0.09 0.00 0.02 0.00 0.00 34.50 32.46 1aig s PRO 121 CO 0.06 -1.23 1.25 -2.00 -0.33 0.00 0.00 177.00 174.76 1aig s GLU 122 N -3.50 4.45 0.10 5.54 2.12 -1.26 -4.81 118.70 121.34 1aig s GLU 122 Ca 0.75 2.04 -0.03 0.00 0.36 0.00 0.00 54.97 58.09 1aig s GLU 122 Cb -0.28 -3.15 -0.05 0.00 0.26 0.00 0.00 34.13 30.91 1aig s GLU 122 CO 0.35 -0.10 0.29 -0.51 -0.54 0.00 0.00 175.26 174.75 1aig s LEU 123 N -1.06 4.32 0.00 2.70 1.02 -1.26 -1.01 118.68 123.38 1aig s LEU 123 Ca 0.51 0.45 0.02 0.00 0.02 0.00 0.00 54.13 55.12 1aig s LEU 123 Cb -0.36 -3.11 0.11 0.00 0.02 0.00 0.00 46.19 42.85 1aig s LEU 123 CO 0.44 0.12 0.78 -0.90 0.02 0.00 0.00 176.35 176.81 1aig n ASP 124 N 0.25 1.27 0.01 2.29 5.75 0.28 -4.71 116.55 121.70 1aig n ASP 124 Ca -0.04 -2.02 0.13 0.00 -0.01 0.00 0.00 54.79 52.85 1aig n ASP 124 Cb 0.51 -0.48 0.58 0.00 -1.03 0.00 0.00 41.12 40.70 1aig n ASP 124 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 1aig h GLY 125 N -0.34 0.30 0.31 6.12 0.00 -2.00 -1.59 103.07 105.87 1aig h GLY 125 Ca -0.26 -0.09 0.00 0.00 0.00 0.00 0.00 47.33 46.98 1aig h GLY 125 CO 0.30 0.06 -0.53 1.42 0.00 0.00 0.00 176.54 177.78 1aig n HIS 126 N -4.46 0.00 0.00 5.60 8.25 -1.26 -4.98 115.22 118.38 1aig n HIS 126 Ca 0.07 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.53 1aig n HIS 126 Cb 0.36 -0.13 0.00 0.00 1.12 0.00 0.00 29.99 31.34 1aig n HIS 126 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1aig n GLY 127 N 1.44 0.49 3.89 -1.41 0.00 -0.60 -5.08 105.19 103.92 1aig n GLY 127 Ca 0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.80 1aig n GLY 127 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1aig s HIS 128 N -2.00 3.47 0.08 1.61 3.76 -1.26 -4.74 115.29 116.20 1aig s HIS 128 Ca 0.00 0.87 -0.35 0.00 -0.15 0.00 0.00 55.06 55.43 1aig s HIS 128 Cb 0.00 -2.29 -0.14 0.00 1.11 0.00 0.00 32.58 31.26 1aig s HIS 128 CO 0.00 0.05 1.62 0.09 -0.85 0.00 0.00 174.74 175.65 1aig n ASN 129 N -1.02 2.95 0.02 1.40 4.13 -1.26 -0.56 115.26 120.92 1aig n ASN 129 Ca 0.01 1.06 -0.13 0.00 1.68 0.00 0.00 54.58 57.20 1aig n ASN 129 Cb 0.54 -1.37 -0.08 0.00 -1.54 0.00 0.00 39.78 37.32 1aig n ASN 129 CO 0.00 0.00 0.00 0.50 0.28 0.00 0.00 177.26 178.04 1aig h LYS 130 N 6.54 -0.03 -5.76 3.52 3.64 -1.36 -3.44 116.57 119.69 1aig h LYS 130 Ca -0.46 0.00 -0.67 0.00 -1.27 0.00 0.00 60.65 58.25 1aig h LYS 130 Cb 1.27 0.01 -0.11 0.00 -0.41 0.00 0.00 32.23 32.98 1aig h LYS 130 CO 0.89 0.21 -0.55 0.42 -2.27 0.00 0.00 179.45 178.15 1aig s ILE 131 N -5.24 4.90 -0.19 2.00 1.01 -1.26 -1.04 121.20 121.37 1aig s ILE 131 Ca -0.14 -0.02 -0.20 0.00 0.00 0.00 0.00 60.65 60.29 1aig s ILE 131 Cb 0.04 -3.11 0.05 0.00 0.01 0.00 0.00 42.46 39.45 1aig s ILE 131 CO 0.66 0.60 0.55 -0.75 0.00 0.00 0.00 174.94 176.00 1aig s LYS 132 N -0.84 0.67 0.40 2.79 2.20 -0.57 -4.62 119.74 119.77 1aig s LYS 132 Ca 0.13 0.69 -0.26 0.00 -0.36 0.00 0.00 55.97 56.18 1aig s LYS 132 Cb -0.12 0.33 -0.10 0.00 -1.51 0.00 0.00 37.83 36.42 1aig s LYS 132 CO 0.03 -0.10 1.20 -0.35 -0.36 0.00 0.00 175.35 175.77 1aig n PRO 133 N 2.60 1.78 0.19 4.03 -0.04 -1.26 -1.11 135.00 141.20 1aig n PRO 133 Ca -0.14 0.63 0.14 0.00 -0.04 0.00 0.00 63.50 64.09 1aig n PRO 133 Cb 0.56 -2.26 0.57 0.00 -0.04 0.00 0.00 33.50 32.32 1aig n PRO 133 CO 0.00 0.00 0.00 1.98 -0.04 0.00 0.00 175.50 177.44 1aig h MET 134 N 2.00 0.00 0.21 0.54 4.05 -1.45 -2.24 114.93 118.04 1aig h MET 134 Ca -0.46 0.00 0.01 0.00 -0.28 0.00 0.00 59.70 58.97 1aig h MET 134 Cb 1.31 0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 32.07 1aig h MET 134 CO 0.59 0.00 -0.43 0.87 0.23 0.00 0.00 176.91 178.17 1aig h LYS 135 N 0.00 -0.70 0.00 0.39 1.57 -1.91 -2.80 116.57 113.12 1aig h LYS 135 Ca 0.00 0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1aig h LYS 135 Cb 0.45 0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.92 1aig h LYS 135 CO 0.00 -0.47 0.00 0.00 -0.57 0.00 0.00 179.45 178.41 1aig n ALA 136 N -2.81 2.44 -2.96 3.86 0.00 -1.01 -4.58 120.51 115.45 1aig n ALA 136 Ca -0.08 -0.14 -0.44 0.00 0.00 0.00 0.00 53.44 52.78 1aig n ALA 136 Cb 0.39 -1.48 -0.03 0.00 0.00 0.00 0.00 19.45 18.34 1aig n ALA 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1aig s ALA 137 N -2.59 3.34 0.12 0.00 0.00 -0.88 -4.97 121.76 116.79 1aig s ALA 137 Ca 0.27 -2.46 -0.31 0.00 0.00 0.00 0.00 51.96 49.46 1aig s ALA 137 Cb 0.20 -3.89 -0.10 0.00 0.00 0.00 0.00 23.12 19.33 1aig s ALA 137 CO 0.45 -2.79 1.70 0.00 0.00 0.00 0.00 175.76 175.12 1aig s ALA 138 N 2.93 3.76 0.00 0.00 0.00 -1.26 -1.79 121.76 125.40 1aig s ALA 138 Ca 0.26 1.36 0.00 0.00 0.00 0.00 0.00 51.96 53.57 1aig s ALA 138 Cb -0.11 -3.70 0.00 0.00 0.00 0.00 0.00 23.12 19.30 1aig s ALA 138 CO -0.02 -1.06 0.00 0.41 0.00 0.00 0.00 175.76 175.09 1aig n GLY 139 N 4.03 1.12 3.80 0.00 0.00 -1.26 -5.05 105.19 107.82 1aig n GLY 139 Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 1aig n GLY 139 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1aig s PHE 140 N -2.43 3.73 0.26 1.61 0.40 -0.74 -5.05 117.98 115.77 1aig s PHE 140 Ca 0.00 1.15 -0.04 0.00 -0.60 0.00 0.00 56.93 57.44 1aig s PHE 140 Cb 0.00 -2.47 -0.02 0.00 0.51 0.00 0.00 43.02 41.04 1aig s PHE 140 CO 0.00 0.51 0.33 -3.38 0.70 0.00 0.00 175.22 173.37 1aig s HIS 141 N -0.71 0.98 -0.33 0.36 -3.43 -1.26 -4.95 115.29 105.94 1aig s HIS 141 Ca 0.28 -1.21 -0.25 0.00 -0.80 0.00 0.00 55.06 53.08 1aig s HIS 141 Cb -0.18 -0.25 0.01 0.00 -1.43 0.00 0.00 32.58 30.72 1aig s HIS 141 CO 0.16 -0.89 0.87 0.08 -2.00 0.00 0.00 174.74 172.96 1aig s VAL 142 N -3.77 4.69 -0.47 -5.38 1.01 -1.26 -4.93 120.40 110.29 1aig s VAL 142 Ca 0.33 1.22 0.23 0.00 0.00 0.00 0.00 61.98 63.76 1aig s VAL 142 Cb 0.03 -4.24 -0.07 0.00 0.00 0.00 0.00 36.38 32.09 1aig s VAL 142 CO 0.15 -0.39 1.04 -1.54 0.00 0.00 0.00 175.10 174.37 1aig n SER 143 N 6.48 0.64 -3.57 3.32 3.41 -1.26 -5.01 113.62 117.63 1aig n SER 143 Ca 0.06 0.02 -0.07 0.00 -0.26 0.00 0.00 58.87 58.62 1aig n SER 143 Cb 0.48 0.68 -0.03 0.00 -0.26 0.00 0.00 64.21 65.07 1aig n SER 143 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1aig s ALA 144 N -3.26 -1.98 0.00 7.33 0.00 -1.26 -5.18 121.76 117.41 1aig s ALA 144 Ca 0.02 1.48 0.00 0.00 0.00 0.00 0.00 51.96 53.46 1aig s ALA 144 Cb 0.13 -0.27 0.00 0.00 0.00 0.00 0.00 23.12 22.98 1aig s ALA 144 CO 0.79 -0.51 0.00 0.41 0.00 0.00 0.00 175.76 176.45 1aig n GLY 145 N 0.13 -1.80 3.70 0.00 0.00 -1.26 -4.87 105.19 101.09 1aig n GLY 145 Ca -0.04 -1.52 -0.42 0.00 0.00 0.00 0.00 46.02 44.04 1aig n GLY 145 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1aig s LYS 146 N -1.92 4.25 -0.26 1.61 2.47 -1.26 -4.98 119.74 119.65 1aig s LYS 146 Ca 0.00 2.17 -0.24 0.00 -1.56 0.00 0.00 55.97 56.34 1aig s LYS 146 Cb 0.00 -3.44 -0.00 0.00 -1.46 0.00 0.00 37.83 32.93 1aig s LYS 146 CO 0.00 -0.60 0.83 1.21 0.16 0.00 0.00 175.35 176.95 1aig s ASN 147 N 1.74 6.79 0.14 1.43 3.84 -1.26 -4.98 114.94 122.63 1aig s ASN 147 Ca 0.68 0.95 0.27 0.00 0.21 0.00 0.00 52.86 54.97 1aig s ASN 147 Cb -0.37 -2.43 0.95 0.00 -0.55 0.00 0.00 41.25 38.84 1aig s ASN 147 CO 0.30 -0.55 1.82 -0.81 -2.79 0.00 0.00 177.10 175.07 1aig n PRO 148 N 6.08 0.17 -1.66 0.43 -0.04 -1.26 -4.83 135.00 133.90 1aig n PRO 148 Ca 0.05 0.14 -0.42 0.00 -0.04 0.00 0.00 63.50 63.23 1aig n PRO 148 Cb 0.48 -1.70 -0.03 0.00 -0.04 0.00 0.00 33.50 32.21 1aig n PRO 148 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1aig s ILE 149 N -3.07 3.00 0.00 0.52 1.01 -1.26 -1.24 121.20 120.17 1aig s ILE 149 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 60.65 60.77 1aig s ILE 149 Cb 0.15 -3.00 0.00 0.00 0.01 0.00 0.00 42.46 39.61 1aig s ILE 149 CO 0.58 -0.00 0.00 0.61 0.00 0.00 0.00 174.94 176.13 1aig n GLY 150 N 4.60 2.76 3.76 6.18 0.00 0.17 -5.01 105.19 117.64 1aig n GLY 150 Ca 0.20 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.85 1aig n GLY 150 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1aig s LEU 151 N 0.00 3.82 0.40 0.99 1.43 -0.37 -4.60 118.68 120.35 1aig s LEU 151 Ca 0.00 2.45 -0.27 0.00 -1.03 0.00 0.00 54.13 55.29 1aig s LEU 151 Cb 0.00 -4.41 -0.09 0.00 0.03 0.00 0.00 46.19 41.72 1aig s LEU 151 CO 0.00 -1.37 1.37 -2.16 0.23 0.00 0.00 176.35 174.42 1aig s PRO 152 N -3.03 3.99 -0.16 1.29 0.04 -1.26 -1.19 135.00 134.68 1aig s PRO 152 Ca 0.72 2.31 -0.03 0.00 0.04 0.00 0.00 61.00 64.04 1aig s PRO 152 Cb -0.32 -2.83 -0.02 0.00 0.04 0.00 0.00 34.50 31.37 1aig s PRO 152 CO 0.37 -0.53 -0.06 0.08 0.04 0.00 0.00 177.00 176.90 1aig s VAL 153 N -1.20 3.60 0.02 -0.36 1.01 -0.44 -1.88 120.40 121.14 1aig s VAL 153 Ca 0.56 -0.45 0.05 0.00 0.00 0.00 0.00 61.98 62.13 1aig s VAL 153 Cb -0.41 -2.58 -0.03 0.00 0.00 0.00 0.00 36.38 33.36 1aig s VAL 153 CO 0.54 0.49 -0.10 -0.60 0.00 0.00 0.00 175.10 175.42 1aig s ARG 154 N 0.58 2.39 0.48 2.72 3.52 -0.01 -0.35 118.95 128.28 1aig s ARG 154 Ca -0.04 -0.81 0.02 0.00 -0.13 0.00 0.00 55.73 54.77 1aig s ARG 154 Cb -0.15 -2.40 0.09 0.00 -1.56 0.00 0.00 34.95 30.94 1aig s ARG 154 CO 0.03 0.58 0.66 0.41 -0.81 0.00 0.00 175.30 176.17 1aig n GLY 155 N 1.55 1.08 0.08 8.12 0.00 -0.86 -0.66 105.19 114.51 1aig n GLY 155 Ca -0.16 -2.07 0.12 0.00 0.00 0.00 0.00 46.02 43.92 1aig n GLY 155 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1aig n ASP 157 N -2.05 0.00 -2.57 0.00 5.75 -1.20 -1.14 116.55 115.34 1aig n ASP 157 Ca 0.04 -0.99 -0.20 0.00 -0.01 0.00 0.00 54.79 53.64 1aig n ASP 157 Cb 0.32 0.00 0.02 0.00 -1.03 0.00 0.00 41.12 40.43 1aig n ASP 157 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1aig n LEU 158 N -1.00 -2.40 -4.58 -2.12 4.77 -0.60 -4.90 117.00 106.17 1aig n LEU 158 Ca 0.24 -0.20 -0.33 0.00 -0.03 0.00 0.00 56.01 55.69 1aig n LEU 158 Cb 0.11 -2.72 -0.11 0.00 -2.33 0.00 0.00 43.42 38.37 1aig n LEU 158 CO 0.18 0.11 -0.39 -1.61 -1.33 0.00 0.00 177.39 174.35 1aig s GLU 159 N -5.41 2.63 -0.36 3.23 0.41 -1.26 -4.91 118.70 113.03 1aig s GLU 159 Ca 0.20 -0.64 -0.28 0.00 -0.41 0.00 0.00 54.97 53.84 1aig s GLU 159 Cb -0.09 -2.53 -0.01 0.00 -1.78 0.00 0.00 34.13 29.72 1aig s GLU 159 CO 0.25 0.63 1.69 0.42 -0.49 0.00 0.00 175.26 177.76 1aig s ILE 160 N -0.89 3.59 0.08 -1.63 -1.09 -1.26 -2.02 121.20 117.98 1aig s ILE 160 Ca 0.14 0.59 0.01 0.00 -2.23 0.00 0.00 60.65 59.17 1aig s ILE 160 Cb -0.11 -3.82 -0.25 0.00 -1.58 0.00 0.00 42.46 36.70 1aig s ILE 160 CO 0.04 -0.53 1.14 0.00 -1.23 0.00 0.00 174.94 174.36 1aig h ALA 161 N 12.31 0.25 -3.00 9.38 0.00 -1.03 -3.49 119.26 133.69 1aig h ALA 161 Ca -0.32 -0.95 0.00 0.00 0.00 0.00 0.00 54.91 53.64 1aig h ALA 161 Cb 1.15 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1aig h ALA 161 CO 1.05 1.13 0.00 0.41 0.00 0.00 0.00 179.25 181.84 1aig n GLY 162 N 1.48 1.60 2.90 0.00 0.00 -1.08 -4.30 105.19 105.80 1aig n GLY 162 Ca -0.06 -0.46 -0.15 0.00 0.00 0.00 0.00 46.02 45.34 1aig n GLY 162 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1aig s LYS 163 N 1.55 0.08 0.09 1.61 2.20 -0.58 -1.33 119.74 123.35 1aig s LYS 163 Ca 0.00 0.56 -0.31 0.00 -0.36 0.00 0.00 55.97 55.86 1aig s LYS 163 Cb 0.00 -0.20 -0.09 0.00 -1.51 0.00 0.00 37.83 36.03 1aig s LYS 163 CO 0.00 -0.27 1.70 0.08 -0.36 0.00 0.00 175.35 176.50 1aig s VAL 164 N 2.05 2.86 -0.81 4.02 1.01 -0.33 -1.01 120.40 128.19 1aig s VAL 164 Ca -0.00 0.35 0.08 0.00 0.00 0.00 0.00 61.98 62.41 1aig s VAL 164 Cb -0.12 -3.23 0.02 0.00 0.00 0.00 0.00 36.38 33.05 1aig s VAL 164 CO -0.06 0.00 0.61 1.33 0.00 0.00 0.00 175.10 176.98 1aig n VAL 165 N 4.69 0.00 -3.63 2.92 0.24 0.04 -0.65 118.33 121.93 1aig n VAL 165 Ca 0.16 -0.44 -0.03 0.00 -2.04 0.00 0.00 64.34 62.00 1aig n VAL 165 Cb 0.40 1.12 -0.02 0.00 -1.47 0.00 0.00 33.84 33.86 1aig n VAL 165 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1aig s ASP 166 N -1.05 -0.05 -0.15 -1.34 2.15 -1.24 -4.91 116.67 110.08 1aig s ASP 166 Ca 0.07 0.01 -0.06 0.00 0.43 0.00 0.00 52.55 53.00 1aig s ASP 166 Cb 0.07 0.05 -0.04 0.00 -0.30 0.00 0.00 42.92 42.69 1aig s ASP 166 CO 0.18 -0.07 0.05 -0.63 -0.17 0.00 0.00 175.17 174.52 1aig s ILE 167 N -2.02 4.71 -0.26 4.11 1.01 -1.26 -0.25 121.20 127.25 1aig s ILE 167 Ca 0.11 -0.07 -0.14 0.00 0.00 0.00 0.00 60.65 60.55 1aig s ILE 167 Cb -0.01 -3.08 -0.04 0.00 0.01 0.00 0.00 42.46 39.33 1aig s ILE 167 CO -0.03 0.51 0.31 0.26 0.00 0.00 0.00 174.94 175.99 1aig s TRP 168 N -0.06 3.27 -0.07 3.97 0.52 0.04 -1.05 118.94 125.56 1aig s TRP 168 Ca 0.06 0.36 -0.01 0.00 0.02 0.00 0.00 56.10 56.53 1aig s TRP 168 Cb -0.12 -2.49 -0.03 0.00 -1.15 0.00 0.00 33.47 29.68 1aig s TRP 168 CO 0.01 -0.14 -0.00 0.08 0.02 0.00 0.00 176.95 176.92 1aig s VAL 169 N 1.75 4.25 -0.51 4.03 1.01 -0.26 -0.56 120.40 130.11 1aig s VAL 169 Ca 0.13 -0.32 -0.26 0.00 0.00 0.00 0.00 61.98 61.53 1aig s VAL 169 Cb -0.15 -2.80 0.03 0.00 0.00 0.00 0.00 36.38 33.46 1aig s VAL 169 CO 0.09 0.57 1.00 -0.62 0.00 0.00 0.00 175.10 176.14 1aig s ASP 170 N -0.99 6.47 0.01 3.32 -1.08 -0.36 -1.51 116.67 122.52 1aig s ASP 170 Ca 0.14 0.04 -0.22 0.00 -0.52 0.00 0.00 52.55 51.99 1aig s ASP 170 Cb -0.11 -2.48 -0.12 0.00 -1.46 0.00 0.00 42.92 38.75 1aig s ASP 170 CO 0.04 -1.19 1.04 0.40 0.52 0.00 0.00 175.17 175.97 1aig h ILE 171 N 6.10 0.00 -0.28 4.11 5.03 -1.39 0.17 117.51 131.25 1aig h ILE 171 Ca -0.25 -0.25 0.08 0.00 -0.12 0.00 0.00 64.86 64.32 1aig h ILE 171 Cb 1.07 0.00 -0.01 0.00 -3.03 0.00 0.00 36.82 34.85 1aig h ILE 171 CO 1.08 0.00 0.20 1.55 -0.68 0.00 0.00 178.15 180.30 1aig h PRO 172 N -1.06 0.01 -0.02 2.37 0.13 -1.92 -2.22 132.00 129.29 1aig h PRO 172 Ca -0.08 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.05 1aig h PRO 172 Cb 0.62 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.75 1aig h PRO 172 CO 0.14 0.01 -0.22 0.39 -0.23 0.00 0.00 178.00 178.08 1aig n GLU 173 N -4.46 1.57 -3.55 0.86 1.02 -1.24 -5.04 120.64 109.81 1aig n GLU 173 Ca 0.04 -1.10 -0.18 0.00 -0.02 0.00 0.00 57.16 55.90 1aig n GLU 173 Cb 0.35 -1.32 0.00 0.00 -0.02 0.00 0.00 31.44 30.46 1aig n GLU 173 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1aig n GLN 174 N 0.30 -1.41 -3.53 3.49 6.02 0.58 -5.02 117.38 117.80 1aig n GLN 174 Ca 0.08 0.96 -0.11 0.00 -0.01 0.00 0.00 57.00 57.93 1aig n GLN 174 Cb 0.39 -3.57 -0.02 0.00 1.02 0.00 0.00 30.24 28.06 1aig n GLN 174 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1aig s MET 175 N -4.44 1.35 -0.49 -1.09 0.23 -1.15 -4.99 119.30 108.72 1aig s MET 175 Ca 0.05 -0.60 -0.28 0.00 -1.03 0.00 0.00 55.69 53.82 1aig s MET 175 Cb -0.02 0.58 0.01 0.00 -1.53 0.00 0.00 34.83 33.87 1aig s MET 175 CO 0.85 -0.59 1.48 0.00 -2.03 0.00 0.00 175.02 174.73 1aig s ALA 176 N -3.79 2.86 -0.07 3.16 0.00 -1.26 -1.23 121.76 121.44 1aig s ALA 176 Ca 0.03 -0.39 -0.16 0.00 0.00 0.00 0.00 51.96 51.45 1aig s ALA 176 Cb -0.02 -4.04 -0.30 0.00 0.00 0.00 0.00 23.12 18.76 1aig s ALA 176 CO -0.09 -2.76 0.68 0.00 0.00 0.00 0.00 175.76 173.59 1aig h ARG 177 N 11.35 0.31 -3.80 0.00 2.47 -1.17 -3.44 114.38 120.09 1aig h ARG 177 Ca -0.28 -0.54 -0.13 0.00 -1.26 0.00 0.00 59.98 57.78 1aig h ARG 177 Cb 1.11 0.20 -0.18 0.00 -1.65 0.00 0.00 29.97 29.45 1aig h ARG 177 CO 1.13 1.26 -0.54 -0.06 0.56 0.00 0.00 179.97 182.32 1aig s PHE 178 N -2.50 0.20 -0.03 3.04 0.40 -0.98 -1.86 117.98 116.24 1aig s PHE 178 Ca -0.17 -0.49 -0.01 0.00 -0.60 0.00 0.00 56.93 55.66 1aig s PHE 178 Cb 0.04 -0.15 -0.04 0.00 0.51 0.00 0.00 43.02 43.39 1aig s PHE 178 CO 0.81 -0.34 0.07 -0.51 0.70 0.00 0.00 175.22 175.95 1aig s LEU 179 N -2.02 3.89 -0.24 -0.37 1.43 0.74 -0.78 118.68 121.33 1aig s LEU 179 Ca -0.06 0.18 -0.11 0.00 -1.03 0.00 0.00 54.13 53.10 1aig s LEU 179 Cb -0.02 -2.17 -0.05 0.00 0.03 0.00 0.00 46.19 43.98 1aig s LEU 179 CO -0.04 0.30 0.18 -0.70 0.23 0.00 0.00 176.35 176.33 1aig s GLU 180 N -1.52 4.08 -0.24 1.70 2.12 0.66 -0.86 118.70 124.65 1aig s GLU 180 Ca 0.20 -0.23 0.01 0.00 0.36 0.00 0.00 54.97 55.32 1aig s GLU 180 Cb -0.12 -3.54 0.04 0.00 0.26 0.00 0.00 34.13 30.77 1aig s GLU 180 CO 0.11 0.05 -0.12 0.08 -0.54 0.00 0.00 175.26 174.84 1aig s VAL 181 N 1.09 2.30 -0.13 3.70 1.01 -0.16 -0.78 120.40 127.43 1aig s VAL 181 Ca 0.09 -1.30 -0.29 0.00 0.00 0.00 0.00 61.98 60.47 1aig s VAL 181 Cb -0.14 -2.21 -0.03 0.00 0.00 0.00 0.00 36.38 34.01 1aig s VAL 181 CO 0.05 0.18 1.38 -0.70 0.00 0.00 0.00 175.10 176.01 1aig s GLU 182 N 1.21 4.22 0.81 2.72 2.12 -0.18 -2.15 118.70 127.44 1aig s GLU 182 Ca -0.03 1.83 -0.14 0.00 0.36 0.00 0.00 54.97 56.99 1aig s GLU 182 Cb -0.17 -3.83 0.19 0.00 0.26 0.00 0.00 34.13 30.57 1aig s GLU 182 CO -0.07 -0.75 1.07 1.28 -0.54 0.00 0.00 175.26 176.25 1aig n LEU 183 N 6.76 0.00 0.25 2.70 4.77 -0.24 -1.53 117.00 129.71 1aig n LEU 183 Ca 0.15 -1.17 0.17 0.00 -0.03 0.00 0.00 56.01 55.13 1aig n LEU 183 Cb 0.44 -0.83 0.89 0.00 -2.33 0.00 0.00 43.42 41.60 1aig n LEU 183 CO 0.58 -1.31 1.15 0.50 -1.33 0.00 0.00 177.39 176.98 1aig h LYS 184 N 0.00 0.00 -0.39 3.23 1.63 -1.91 -2.12 116.57 117.01 1aig h LYS 184 Ca -0.35 0.00 -0.08 0.00 -0.85 0.00 0.00 60.65 59.37 1aig h LYS 184 Cb 0.97 0.00 -0.05 0.00 -0.60 0.00 0.00 32.23 32.55 1aig h LYS 184 CO 0.25 0.00 0.04 -0.40 -3.45 0.00 0.00 179.45 175.89 1aig n ASP 185 N -3.65 3.94 -0.40 4.20 5.75 -1.26 -4.97 116.55 120.15 1aig n ASP 185 Ca -0.00 -3.19 -0.05 0.00 -0.01 0.00 0.00 54.79 51.53 1aig n ASP 185 Cb 0.25 -0.61 -0.02 0.00 -1.03 0.00 0.00 41.12 39.71 1aig n ASP 185 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1aig n GLY 186 N -0.49 0.68 3.98 6.12 0.00 -0.80 -4.99 105.19 109.70 1aig n GLY 186 Ca 0.28 -0.19 -0.23 0.00 0.00 0.00 0.00 46.02 45.88 1aig n GLY 186 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1aig s SER 187 N -2.37 4.68 0.07 1.61 1.04 -1.26 -4.87 113.70 112.61 1aig s SER 187 Ca 0.00 -0.20 0.05 0.00 0.48 0.00 0.00 55.95 56.29 1aig s SER 187 Cb 0.00 -0.36 -0.03 0.00 0.10 0.00 0.00 66.02 65.73 1aig s SER 187 CO 0.00 -1.61 -0.15 -0.89 0.98 0.00 0.00 173.24 171.57 1aig s THR 188 N -3.02 1.16 0.15 2.02 2.01 -1.26 -1.08 115.64 115.61 1aig s THR 188 Ca 0.63 -1.34 0.00 0.00 0.31 0.00 0.00 61.69 61.30 1aig s THR 188 Cb -0.07 -1.12 -0.04 0.00 0.01 0.00 0.00 72.50 71.27 1aig s THR 188 CO 0.42 -0.22 0.03 -0.13 -0.69 0.00 0.00 174.62 174.03 1aig s ARG 189 N -1.78 1.01 -0.14 4.92 0.52 -0.91 -4.85 118.95 117.71 1aig s ARG 189 Ca -0.01 -1.48 -0.02 0.00 -0.52 0.00 0.00 55.73 53.70 1aig s ARG 189 Cb -0.10 -0.02 -0.02 0.00 0.52 0.00 0.00 34.95 35.33 1aig s ARG 189 CO 0.02 -0.19 -0.08 -0.51 0.02 0.00 0.00 175.30 174.57 1aig s LEU 190 N -3.11 3.02 -0.16 2.53 1.43 -1.26 -0.99 118.68 120.14 1aig s LEU 190 Ca 0.24 -0.21 -0.05 0.00 -1.03 0.00 0.00 54.13 53.08 1aig s LEU 190 Cb 0.07 -1.71 -0.03 0.00 0.03 0.00 0.00 46.19 44.55 1aig s LEU 190 CO 0.03 0.18 -0.00 -0.76 0.23 0.00 0.00 176.35 176.02 1aig s LEU 191 N 0.31 3.45 0.11 1.79 2.01 -0.04 -4.95 118.68 121.36 1aig s LEU 191 Ca -0.06 -0.04 -0.31 0.00 0.01 0.00 0.00 54.13 53.72 1aig s LEU 191 Cb -0.15 -1.84 -0.09 0.00 0.01 0.00 0.00 46.19 44.12 1aig s LEU 191 CO 0.04 0.19 1.56 -2.84 1.01 0.00 0.00 176.35 176.31 1aig s PRO 192 N 0.25 4.23 0.55 1.29 0.02 -1.26 -0.18 135.00 139.90 1aig s PRO 192 Ca -0.01 2.28 0.26 0.00 0.02 0.00 0.00 61.00 63.55 1aig s PRO 192 Cb -0.13 -3.36 1.47 0.00 0.02 0.00 0.00 34.50 32.50 1aig s PRO 192 CO 0.02 -0.63 2.04 0.52 -0.33 0.00 0.00 177.00 178.62 1aig h MET 193 N 7.44 0.00 -0.84 5.54 2.86 -1.66 -2.59 114.93 125.68 1aig h MET 193 Ca -0.42 0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.10 1aig h MET 193 Cb 1.20 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 32.79 1aig h MET 193 CO 0.91 0.00 0.15 0.00 1.06 0.00 0.00 176.91 179.03 1aig n GLN 194 N -4.15 2.77 0.00 1.72 0.00 -1.26 -3.25 117.38 113.21 1aig n GLN 194 Ca 0.06 -1.87 0.00 0.00 0.00 0.00 0.00 57.00 55.19 1aig n GLN 194 Cb 0.46 -1.87 0.00 0.00 0.00 0.00 0.00 30.24 28.83 1aig n GLN 194 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.06 176.94 1aig n MET 195 N 0.06 4.19 -3.27 2.61 1.56 -0.99 -5.08 117.12 116.20 1aig n MET 195 Ca 0.24 0.00 -0.23 0.00 -0.27 0.00 0.00 57.70 57.43 1aig n MET 195 Cb 0.97 -0.35 -0.01 0.00 2.15 0.00 0.00 33.22 35.98 1aig n MET 195 CO 0.00 0.00 0.00 0.14 -0.73 0.00 0.00 175.97 175.38 1aig s VAL 196 N 0.00 4.77 -0.21 1.12 -7.23 -1.10 -4.40 120.40 113.34 1aig s VAL 196 Ca 0.00 -0.48 -0.01 0.00 -1.81 0.00 0.00 61.98 59.68 1aig s VAL 196 Cb 0.00 -3.74 0.06 0.00 0.56 0.00 0.00 36.38 33.26 1aig s VAL 196 CO 0.00 -0.49 -0.01 -0.75 -0.31 0.00 0.00 175.10 173.54 1aig s LYS 197 N -4.38 1.19 -0.74 4.82 2.47 -0.42 -4.97 119.74 117.71 1aig s LYS 197 Ca 0.42 -0.72 -0.26 0.00 -1.56 0.00 0.00 55.97 53.85 1aig s LYS 197 Cb -0.10 -2.36 0.04 0.00 -1.46 0.00 0.00 37.83 33.95 1aig s LYS 197 CO 0.36 -0.61 1.24 0.08 0.16 0.00 0.00 175.35 176.58 1aig s VAL 198 N 1.61 3.82 0.00 4.02 1.01 -1.26 -1.00 120.40 128.59 1aig s VAL 198 Ca -0.03 0.25 0.00 0.00 0.00 0.00 0.00 61.98 62.20 1aig s VAL 198 Cb -0.18 -4.89 0.00 0.00 0.00 0.00 0.00 36.38 31.31 1aig s VAL 198 CO -0.07 -1.81 0.00 0.00 0.00 0.00 0.00 175.10 173.23 1aig n GLN 199 N 9.12 0.49 0.02 2.72 6.02 0.43 -4.99 117.38 131.20 1aig n GLN 199 Ca 0.03 0.00 -0.09 0.00 -0.01 0.00 0.00 57.00 56.93 1aig n GLN 199 Cb 0.49 0.00 -0.13 0.00 1.02 0.00 0.00 30.24 31.61 1aig n GLN 199 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1aig h SER 200 N 0.00 0.07 -0.14 1.08 4.64 -2.00 -3.37 113.55 113.82 1aig h SER 200 Ca 0.00 -0.10 0.00 0.00 -0.47 0.00 0.00 61.79 61.22 1aig h SER 200 Cb 0.00 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.07 1aig h SER 200 CO 0.00 1.08 0.00 -0.46 -0.87 0.00 0.00 176.83 176.58 1aig n ASN 201 N -3.24 2.36 -3.62 4.97 6.94 -1.26 -5.05 115.26 116.36 1aig n ASN 201 Ca -0.10 -1.96 -0.04 0.00 -0.02 0.00 0.00 54.58 52.45 1aig n ASN 201 Cb 1.01 -0.10 -0.04 0.00 -2.36 0.00 0.00 39.78 38.29 1aig n ASN 201 CO 0.00 0.00 0.00 -0.60 -1.03 0.00 0.00 177.26 175.63 1aig s ARG 202 N -0.97 0.22 -0.18 -3.83 3.52 -1.26 -4.55 118.95 111.90 1aig s ARG 202 Ca 0.10 0.01 -0.02 0.00 -0.13 0.00 0.00 55.73 55.68 1aig s ARG 202 Cb 0.05 0.10 -0.01 0.00 -1.56 0.00 0.00 34.95 33.53 1aig s ARG 202 CO 0.07 -0.08 -0.08 0.54 -0.81 0.00 0.00 175.30 174.94 1aig s VAL 203 N -1.45 3.27 -0.29 7.11 0.11 -0.79 -0.43 120.40 127.93 1aig s VAL 203 Ca 0.07 -0.56 -0.13 0.00 -2.93 0.00 0.00 61.98 58.43 1aig s VAL 203 Cb -0.01 -2.43 -0.04 0.00 -1.53 0.00 0.00 36.38 32.37 1aig s VAL 203 CO -0.05 0.48 0.29 -2.28 -3.33 0.00 0.00 175.10 170.21 1aig s HIS 204 N 0.90 3.23 -0.52 1.54 2.46 -0.17 -0.83 115.29 121.90 1aig s HIS 204 Ca -0.02 0.20 -0.17 0.00 0.47 0.00 0.00 55.06 55.54 1aig s HIS 204 Cb -0.15 -2.51 0.09 0.00 -0.13 0.00 0.00 32.58 29.89 1aig s HIS 204 CO 0.00 -0.24 0.51 0.08 -2.47 0.00 0.00 174.74 172.63 1aig s VAL 205 N 1.92 5.11 0.10 0.89 1.01 0.17 -1.30 120.40 128.31 1aig s VAL 205 Ca 0.11 -1.12 -0.15 0.00 0.00 0.00 0.00 61.98 60.83 1aig s VAL 205 Cb -0.16 -4.28 -0.08 0.00 0.00 0.00 0.00 36.38 31.85 1aig s VAL 205 CO 0.11 -0.80 1.42 -1.13 0.00 0.00 0.00 175.10 174.70 1aig h ASN 206 N 8.90 0.77 -0.89 3.32 -0.73 -1.82 -3.23 115.58 121.91 1aig h ASN 206 Ca -0.29 -0.47 0.22 0.00 1.87 0.00 0.00 56.30 57.63 1aig h ASN 206 Cb 1.10 -0.22 -0.05 0.00 0.27 0.00 0.00 38.32 39.42 1aig h ASN 206 CO 0.98 1.08 0.61 0.00 -0.37 0.00 0.00 177.43 179.73 1aig h ALA 207 N 0.71 2.45 -3.69 1.57 0.00 -1.87 -3.36 119.26 115.07 1aig h ALA 207 Ca 0.05 0.00 -0.63 0.00 0.00 0.00 0.00 54.91 54.33 1aig h ALA 207 Cb 0.87 0.01 -0.32 0.00 0.00 0.00 0.00 17.79 18.35 1aig h ALA 207 CO 0.07 -0.73 -0.86 -0.51 0.00 0.00 0.00 179.25 177.22 1aig s LEU 208 N -9.08 1.97 0.38 0.00 1.02 -1.24 -3.83 118.68 107.91 1aig s LEU 208 Ca -0.07 -0.45 -0.11 0.00 0.02 0.00 0.00 54.13 53.52 1aig s LEU 208 Cb 0.22 -1.20 -0.07 0.00 0.02 0.00 0.00 46.19 45.17 1aig s LEU 208 CO 0.78 0.16 0.74 -0.94 0.02 0.00 0.00 176.35 177.12 1aig s SER 209 N 0.17 6.56 0.21 2.29 1.04 -1.26 -1.59 113.70 121.12 1aig s SER 209 Ca -0.10 1.13 -0.10 0.00 0.48 0.00 0.00 55.95 57.35 1aig s SER 209 Cb -0.15 -2.32 0.30 0.00 0.10 0.00 0.00 66.02 63.95 1aig s SER 209 CO 0.05 -0.34 1.67 0.77 0.98 0.00 0.00 173.24 176.37 1aig h SER 210 N 1.50 -0.22 -0.92 7.02 4.64 -1.89 -1.45 113.55 122.22 1aig h SER 210 Ca -0.47 0.15 0.22 0.00 -0.47 0.00 0.00 61.79 61.21 1aig h SER 210 Cb 1.18 0.25 -0.07 0.00 -0.31 0.00 0.00 62.40 63.46 1aig h SER 210 CO 0.64 -0.09 0.61 -2.24 -0.87 0.00 0.00 176.83 174.88 1aig h ASP 211 N 0.14 0.35 0.95 4.97 2.03 -1.96 -0.57 116.42 122.33 1aig h ASP 211 Ca 0.32 0.04 0.00 0.00 -0.73 0.00 0.00 57.03 56.66 1aig h ASP 211 Cb 0.52 -0.02 0.00 0.00 -0.83 0.00 0.00 39.33 39.00 1aig h ASP 211 CO -0.51 0.13 0.00 0.18 -1.03 0.00 0.00 179.24 178.01 1aig n LEU 212 N -4.49 0.40 -0.03 0.15 7.99 -0.55 -3.62 117.00 116.84 1aig n LEU 212 Ca 0.20 0.56 0.02 0.00 -0.01 0.00 0.00 56.01 56.78 1aig n LEU 212 Cb 0.76 -0.47 0.35 0.00 -0.11 0.00 0.00 43.42 43.95 1aig n LEU 212 CO 0.31 -0.25 1.10 -0.26 -1.51 0.00 0.00 177.39 176.78 1aig h PHE 213 N 0.00 0.60 0.00 -1.77 -1.00 -1.14 -2.74 116.94 110.89 1aig h PHE 213 Ca 0.00 -0.01 -0.07 0.00 2.81 0.00 0.00 57.97 60.69 1aig h PHE 213 Cb 0.47 -0.19 -0.01 0.00 3.61 0.00 0.00 35.95 39.83 1aig h PHE 213 CO 0.00 0.44 -0.36 0.00 -1.61 0.00 0.00 178.31 176.79 1aig h ALA 214 N 1.62 1.33 0.00 2.45 0.00 -1.75 -2.30 119.26 120.62 1aig h ALA 214 Ca 0.16 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1aig h ALA 214 Cb 0.06 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1aig h ALA 214 CO -0.02 0.45 0.00 0.41 0.00 0.00 0.00 179.25 180.08 1aig n GLY 215 N -0.41 -1.07 3.67 0.00 0.00 -1.03 -4.81 105.19 101.55 1aig n GLY 215 Ca -0.02 -0.14 -0.43 0.00 0.00 0.00 0.00 46.02 45.43 1aig n GLY 215 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1aig n ILE 216 N -1.19 0.62 -1.62 -0.61 5.41 -0.87 -4.90 119.36 116.21 1aig n ILE 216 Ca 0.15 -0.11 -0.47 0.00 1.00 0.00 0.00 62.75 63.32 1aig n ILE 216 Cb 0.17 -2.19 -0.04 0.00 -0.71 0.00 0.00 39.64 36.88 1aig n ILE 216 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 1aig n PRO 217 N 6.79 1.54 -2.46 0.38 -0.02 -1.26 -4.96 135.00 135.01 1aig n PRO 217 Ca 0.20 0.55 -0.28 0.00 -2.02 0.00 0.00 63.50 61.94 1aig n PRO 217 Cb 0.38 -2.12 0.00 0.00 -0.02 0.00 0.00 33.50 31.74 1aig n PRO 217 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1aig s THR 218 N -0.10 4.82 0.04 3.45 -4.23 -1.26 -4.76 115.64 113.59 1aig s THR 218 Ca 0.71 0.34 -0.15 0.00 -1.18 0.00 0.00 61.69 61.42 1aig s THR 218 Cb -0.77 -3.85 -0.06 0.00 1.34 0.00 0.00 72.50 69.16 1aig s THR 218 CO 0.51 -0.90 0.45 -0.63 -0.54 0.00 0.00 174.62 173.50 1aig s ILE 219 N -2.85 4.97 -0.02 2.99 1.01 -1.26 -4.98 121.20 121.06 1aig s ILE 219 Ca 0.49 0.84 -0.08 0.00 0.00 0.00 0.00 60.65 61.91 1aig s ILE 219 Cb -0.10 -3.73 -0.30 0.00 0.01 0.00 0.00 42.46 38.34 1aig s ILE 219 CO 0.47 0.50 0.77 0.07 0.00 0.00 0.00 174.94 176.75 1aig h LYS 220 N 4.42 0.34 -4.75 2.79 -0.00 -2.00 -3.43 116.57 113.93 1aig h LYS 220 Ca -0.51 -0.58 -0.67 0.00 -0.00 0.00 0.00 60.65 58.89 1aig h LYS 220 Cb 1.21 0.22 -0.19 0.00 -0.00 0.00 0.00 32.23 33.46 1aig h LYS 220 CO 0.63 1.23 -0.50 -1.54 -0.00 0.00 0.00 179.45 179.27 1aig s SER 221 N -7.17 5.95 0.00 7.07 1.04 -1.26 -5.00 113.70 114.33 1aig s SER 221 Ca -0.12 -0.40 0.12 0.00 0.48 0.00 0.00 55.95 56.02 1aig s SER 221 Cb 0.06 -2.11 0.68 0.00 0.10 0.00 0.00 66.02 64.75 1aig s SER 221 CO 0.86 -0.21 1.15 -0.81 0.98 0.00 0.00 173.24 175.22 1aig n PRO 222 N 5.08 0.33 -0.11 4.02 -0.04 -1.26 -2.96 135.00 140.06 1aig n PRO 222 Ca -0.13 0.03 0.04 0.00 -0.04 0.00 0.00 63.50 63.40 1aig n PRO 222 Cb 0.50 -1.50 0.06 0.00 -0.04 0.00 0.00 33.50 32.52 1aig n PRO 222 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1aig n THR 223 N -1.04 1.09 -3.70 0.52 -2.24 -1.26 -4.98 114.28 102.67 1aig n THR 223 Ca 0.08 -1.25 -0.11 0.00 -2.27 0.00 0.00 64.05 60.50 1aig n THR 223 Cb 0.05 0.25 -0.06 0.00 -2.10 0.00 0.00 70.33 68.46 1aig n THR 223 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1aig s GLU 224 N -1.50 0.92 -0.02 -0.78 -1.05 -1.15 -4.54 118.70 110.58 1aig s GLU 224 Ca 0.13 -0.55 0.08 0.00 -0.15 0.00 0.00 54.97 54.48 1aig s GLU 224 Cb 0.12 0.40 -0.02 0.00 -0.44 0.00 0.00 34.13 34.19 1aig s GLU 224 CO 0.01 -0.32 -0.25 0.14 0.95 0.00 0.00 175.26 175.79 1aig s VAL 225 N -2.98 1.99 0.46 1.83 -7.23 -1.26 -4.67 120.40 108.52 1aig s VAL 225 Ca -0.02 -1.08 -0.02 0.00 -1.81 0.00 0.00 61.98 59.05 1aig s VAL 225 Cb 0.00 -1.65 -0.01 0.00 0.56 0.00 0.00 36.38 35.28 1aig s VAL 225 CO -0.06 0.55 0.70 -0.89 -0.31 0.00 0.00 175.10 175.10 1aig s THR 226 N -0.60 4.33 0.27 5.32 2.01 -1.26 -4.09 115.64 121.63 1aig s THR 226 Ca 0.10 -0.29 -0.00 0.00 0.31 0.00 0.00 61.69 61.81 1aig s THR 226 Cb -0.10 -3.62 0.10 0.00 0.01 0.00 0.00 72.50 68.89 1aig s THR 226 CO -0.01 -0.49 1.75 -0.07 -0.69 0.00 0.00 174.62 175.11 1aig h LEU 227 N 0.35 0.65 -0.53 4.42 4.07 -1.22 -1.60 115.31 121.44 1aig h LEU 227 Ca -0.47 -0.17 -0.03 0.00 0.08 0.00 0.00 57.88 57.28 1aig h LEU 227 Cb 1.24 -0.17 -0.02 0.00 1.08 0.00 0.00 40.66 42.78 1aig h LEU 227 CO 0.59 0.78 0.20 0.25 -1.08 0.00 0.00 178.44 179.18 1aig h LEU 228 N 0.61 0.74 -0.33 1.67 5.85 -1.57 -2.51 115.31 119.77 1aig h LEU 228 Ca 0.11 -0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.64 1aig h LEU 228 Cb 0.52 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.34 1aig h LEU 228 CO 0.03 0.72 0.16 -0.33 -0.34 0.00 0.00 178.44 178.68 1aig h GLU 229 N 0.72 0.47 -0.25 1.25 5.08 -1.85 -1.12 114.58 118.89 1aig h GLU 229 Ca 0.18 -0.07 0.04 0.00 -1.00 0.00 0.00 59.36 58.51 1aig h GLU 229 Cb 0.22 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.34 1aig h GLU 229 CO -0.01 0.43 -0.02 0.93 -1.00 0.00 0.00 179.01 179.34 1aig h GLU 230 N 0.40 0.05 -0.17 2.33 5.08 -1.28 0.17 114.58 121.17 1aig h GLU 230 Ca 0.11 -0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.43 1aig h GLU 230 Cb 0.11 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 1aig h GLU 230 CO -0.02 0.03 -0.10 0.22 -1.00 0.00 0.00 179.01 178.15 1aig h ASP 231 N 0.05 0.24 0.48 1.42 3.58 -1.43 0.32 116.42 121.07 1aig h ASP 231 Ca 0.12 -0.04 -0.17 0.00 0.42 0.00 0.00 57.03 57.35 1aig h ASP 231 Cb 0.16 -0.06 -0.01 0.00 1.72 0.00 0.00 39.33 41.14 1aig h ASP 231 CO -0.21 0.37 -0.74 0.11 -2.88 0.00 0.00 179.24 175.89 1aig h LYS 232 N 0.25 0.21 -0.07 0.28 1.57 0.15 -2.17 116.57 116.79 1aig h LYS 232 Ca 0.05 -0.18 -0.13 0.00 -1.87 0.00 0.00 60.65 58.52 1aig h LYS 232 Cb 0.33 0.04 0.01 0.00 0.08 0.00 0.00 32.23 32.69 1aig h LYS 232 CO 0.02 0.85 -0.46 0.82 -0.57 0.00 0.00 179.45 180.11 1aig h ILE 233 N 0.14 1.40 0.00 1.86 2.04 -0.11 -2.29 117.51 120.55 1aig h ILE 233 Ca -0.02 -1.85 -0.11 0.00 1.00 0.00 0.00 64.86 63.87 1aig h ILE 233 Cb 1.30 2.34 -0.02 0.00 -0.74 0.00 0.00 36.82 39.71 1aig h ILE 233 CO 0.11 0.54 -0.54 0.00 0.00 0.00 0.00 178.15 178.26 1aig h GLY 235 N 2.06 -0.77 1.28 0.00 0.00 -1.35 -2.39 103.07 101.90 1aig h GLY 235 Ca -0.01 0.29 -0.01 0.00 0.00 0.00 0.00 47.33 47.60 1aig h GLY 235 CO 0.07 -0.28 0.41 -1.82 0.00 0.00 0.00 176.54 174.92 1aig h TYR 236 N -0.93 0.93 -0.06 5.60 3.20 -1.30 -0.51 116.97 123.90 1aig h TYR 236 Ca -0.08 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.75 1aig h TYR 236 Cb 0.63 -0.30 -0.00 0.00 1.54 0.00 0.00 36.73 38.60 1aig h TYR 236 CO -0.00 0.63 -0.10 0.28 -1.64 0.00 0.00 178.16 177.33 1aig h VAL 237 N 0.97 1.41 -0.29 1.81 2.07 -1.20 -3.08 116.25 117.95 1aig h VAL 237 Ca 0.25 -1.38 0.00 0.00 0.82 0.00 0.00 66.70 66.39 1aig h VAL 237 Cb -0.01 2.19 -0.01 0.00 -1.52 0.00 0.00 31.29 31.94 1aig h VAL 237 CO -0.04 0.38 0.19 0.00 0.02 0.00 0.00 177.57 178.12 1aig h ALA 238 N 0.49 1.79 -0.01 1.67 0.00 -1.35 -2.18 119.26 119.67 1aig h ALA 238 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1aig h ALA 238 Cb 0.67 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 1aig h ALA 238 CO 0.02 0.19 0.02 0.78 0.00 0.00 0.00 179.25 180.27 1aig h GLY 239 N 0.39 0.00 2.00 0.00 0.00 -0.70 -2.21 103.07 102.54 1aig h GLY 239 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.44 1aig h GLY 239 CO -0.02 0.00 0.00 -1.33 0.00 0.00 0.00 176.54 175.19 1aig h GLY 240 N 0.00 0.00 0.88 4.60 0.00 -1.41 -2.32 103.07 104.82 1aig h GLY 240 Ca 0.01 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.31 1aig h GLY 240 CO -0.00 0.00 0.05 1.41 0.00 0.00 0.00 176.54 178.00 1aig h LEU 241 N 0.00 0.44 0.05 3.11 3.38 -1.50 -1.20 115.31 119.59 1aig h LEU 241 Ca 0.00 -0.25 -0.11 0.00 0.09 0.00 0.00 57.88 57.61 1aig h LEU 241 Cb 0.50 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.14 1aig h LEU 241 CO 0.00 0.57 -0.54 -0.03 0.09 0.00 0.00 178.44 178.53 1aig h MET 242 N 0.28 0.11 0.04 1.13 4.05 -1.74 -3.37 114.93 115.43 1aig h MET 242 Ca 0.09 -0.19 -0.23 0.00 -0.28 0.00 0.00 59.70 59.08 1aig h MET 242 Cb 0.32 0.07 -0.02 0.00 -0.80 0.00 0.00 31.60 31.17 1aig h MET 242 CO 0.00 1.09 -1.11 1.88 0.23 0.00 0.00 176.91 179.00 1aig h TYR 243 N -0.74 0.15 -0.16 1.39 0.05 -1.49 -3.07 116.97 113.09 1aig h TYR 243 Ca -0.12 -0.11 0.00 0.00 0.05 0.00 0.00 58.73 58.56 1aig h TYR 243 Cb 1.30 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 39.04 1aig h TYR 243 CO 0.22 1.09 0.00 0.00 -1.05 0.00 0.00 178.16 178.42 1aig n ALA 244 N -2.42 2.51 -0.35 3.88 0.00 -0.45 -4.44 120.51 119.25 1aig n ALA 244 Ca -0.03 -0.38 0.10 0.00 0.00 0.00 0.00 53.44 53.13 1aig n ALA 244 Cb 0.97 -1.08 0.28 0.00 0.00 0.00 0.00 19.45 19.62 1aig n ALA 244 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1aig h ALA 245 N 3.65 1.55 -0.98 0.00 0.00 -1.63 -2.05 119.26 119.81 1aig h ALA 245 Ca 0.00 0.06 0.15 0.00 0.00 0.00 0.00 54.91 55.13 1aig h ALA 245 Cb 0.30 -0.11 -0.09 0.00 0.00 0.00 0.00 17.79 17.89 1aig h ALA 245 CO 0.00 0.03 0.62 -1.35 0.00 0.00 0.00 179.25 178.54 1aig h PRO 246 N 0.81 0.80 -0.00 0.00 0.11 -1.86 -2.15 132.00 129.71 1aig h PRO 246 Ca 0.53 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.60 1aig h PRO 246 Cb 0.73 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 31.66 1aig h PRO 246 CO -0.34 0.53 -0.03 1.63 -0.21 0.00 0.00 178.00 179.58 1aig n LYS 247 N -4.65 0.59 -3.07 1.05 5.02 -0.78 -4.84 118.16 111.47 1aig n LYS 247 Ca 0.20 -0.07 -0.43 0.00 -2.02 0.00 0.00 58.31 55.99 1aig n LYS 247 Cb 0.47 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.92 1aig n LYS 247 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1aig s ARG 248 N -2.46 3.47 0.31 1.97 3.52 -0.81 -3.25 118.95 121.69 1aig s ARG 248 Ca 0.31 -0.13 -0.28 0.00 -0.13 0.00 0.00 55.73 55.50 1aig s ARG 248 Cb 0.20 -3.89 -0.09 0.00 -1.56 0.00 0.00 34.95 29.61 1aig s ARG 248 CO 0.45 -0.93 1.11 0.15 -0.81 0.00 0.00 175.30 175.27 1aig s LYS 249 N 2.89 4.52 0.92 5.12 1.02 -0.29 -4.99 119.74 128.94 1aig s LYS 249 Ca 0.25 1.79 -0.14 0.00 0.02 0.00 0.00 55.97 57.89 1aig s LYS 249 Cb -0.14 -3.06 0.15 0.00 -0.52 0.00 0.00 37.83 34.27 1aig s LYS 249 CO 0.18 0.11 1.21 -1.54 -0.92 0.00 0.00 175.35 174.39 1aig s SER 250 N -0.97 3.44 0.41 2.83 1.04 -1.26 -4.83 113.70 114.35 1aig s SER 250 Ca 0.47 0.65 0.24 0.00 0.48 0.00 0.00 55.95 57.79 1aig s SER 250 Cb -0.31 -0.99 1.31 0.00 0.10 0.00 0.00 66.02 66.13 1aig s SER 250 CO 0.40 -2.56 1.64 -0.37 0.98 0.00 0.00 173.24 173.33 1aig h VAL 251 N -1.51 0.19 0.36 5.02 -1.51 -1.99 -1.89 116.25 114.92 1aig h VAL 251 Ca -0.47 -0.06 -0.02 0.00 -1.23 0.00 0.00 66.70 64.93 1aig h VAL 251 Cb 1.30 0.02 0.00 0.00 -2.13 0.00 0.00 31.29 30.48 1aig h VAL 251 CO 0.53 0.03 -0.17 0.58 -1.23 0.00 0.00 177.57 177.30 1aig h VAL 252 N 0.16 0.00 0.00 7.19 2.07 -2.01 -3.14 116.25 120.53 1aig h VAL 252 Ca 0.78 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 68.27 1aig h VAL 252 Cb 2.22 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.99 1aig h VAL 252 CO -0.48 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.11 1aig h ALA 253 N -1.75 1.00 -0.07 1.67 0.00 -1.72 -2.04 119.26 116.35 1aig h ALA 253 Ca -0.05 0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.68 1aig h ALA 253 Cb 0.37 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1aig h ALA 253 CO 0.08 0.00 -0.72 0.00 0.00 0.00 0.00 179.25 178.61 1aig h ALA 254 N 2.00 0.62 0.00 0.00 0.00 -1.39 0.12 119.26 120.61 1aig h ALA 254 Ca 0.00 -0.61 -0.20 0.00 0.00 0.00 0.00 54.91 54.11 1aig h ALA 254 Cb 0.03 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 1aig h ALA 254 CO 0.00 0.77 -1.82 0.00 0.00 0.00 0.00 179.25 178.19 1aig n MET 255 N -3.83 0.65 -0.01 0.00 0.00 -1.15 -3.47 117.12 109.31 1aig n MET 255 Ca -0.04 0.07 0.01 0.00 0.00 0.00 0.00 57.70 57.74 1aig n MET 255 Cb 0.70 -1.66 0.32 0.00 0.00 0.00 0.00 33.22 32.58 1aig n MET 255 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 175.97 177.22 1aig h LEU 256 N 0.00 0.51 -0.25 3.17 5.85 -1.38 -2.12 115.31 121.09 1aig h LEU 256 Ca -0.25 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.40 1aig h LEU 256 Cb 1.67 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 42.57 1aig h LEU 256 CO 0.03 0.51 0.11 0.00 -0.34 0.00 0.00 178.44 178.75 1aig n ALA 257 N -2.47 0.82 0.26 1.25 0.00 0.43 -5.06 120.51 115.74 1aig n ALA 257 Ca 0.02 0.04 0.03 0.00 0.00 0.00 0.00 53.44 53.53 1aig n ALA 257 Cb 0.19 -0.87 0.03 0.00 0.00 0.00 0.00 19.45 18.80 1aig n ALA 257 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89