#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 0.71 -1.33 -2.12 3.38 -2.05 -2.25 115.31 111.65 1aig h LEU 12 Ca 0.00 0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.93 1aig h LEU 12 Cb 0.00 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 1aig h LEU 12 CO 0.00 0.47 -0.20 0.00 0.09 0.00 0.00 178.44 178.79 1aig h ALA 13 N 1.36 1.45 -0.35 1.53 0.00 -2.05 0.75 119.26 121.94 1aig h ALA 13 Ca 0.33 -0.25 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 1aig h ALA 13 Cb 0.14 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1aig h ALA 13 CO -0.16 0.39 -0.11 0.77 0.00 0.00 0.00 179.25 180.14 1aig h SER 14 N 0.18 0.71 -0.49 0.00 0.02 -1.87 -2.40 113.55 109.69 1aig h SER 14 Ca 0.03 -0.38 -0.06 0.00 -0.84 0.00 0.00 61.79 60.55 1aig h SER 14 Cb 0.47 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.80 1aig h SER 14 CO 0.03 0.92 0.09 0.25 -1.14 0.00 0.00 176.83 176.98 1aig h LEU 15 N 0.49 0.77 -0.49 5.07 5.85 -1.08 -2.86 115.31 123.05 1aig h LEU 15 Ca 0.09 -0.25 0.09 0.00 0.84 0.00 0.00 57.88 58.65 1aig h LEU 15 Cb 0.62 -0.20 -0.08 0.00 0.37 0.00 0.00 40.66 41.37 1aig h LEU 15 CO 0.04 0.82 0.04 0.00 -0.34 0.00 0.00 178.44 179.00 1aig h ALA 16 N 0.97 0.50 -0.39 1.25 0.00 -0.75 -0.04 119.26 120.80 1aig h ALA 16 Ca 0.15 0.13 -0.16 0.00 0.00 0.00 0.00 54.91 55.03 1aig h ALA 16 Cb 0.38 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1aig h ALA 16 CO 0.01 -0.36 -0.38 0.97 0.00 0.00 0.00 179.25 179.49 1aig h ILE 17 N 0.15 1.27 -0.32 0.00 -0.00 -1.46 -1.47 117.51 115.68 1aig h ILE 17 Ca 0.25 -1.55 -0.08 0.00 -0.00 0.00 0.00 64.86 63.48 1aig h ILE 17 Cb 0.36 1.37 -0.01 0.00 -0.00 0.00 0.00 36.82 38.55 1aig h ILE 17 CO -0.38 0.52 -0.10 0.22 -0.00 0.00 0.00 178.15 178.41 1aig h TYR 18 N 0.76 0.72 0.00 2.19 3.20 -1.21 -2.32 116.97 120.31 1aig h TYR 18 Ca 0.06 -0.16 0.00 0.00 3.14 0.00 0.00 58.73 61.77 1aig h TYR 18 Cb 0.97 -0.17 0.00 0.00 1.54 0.00 0.00 36.73 39.07 1aig h TYR 18 CO 0.06 0.82 0.00 0.66 -1.64 0.00 0.00 178.16 178.06 1aig h SER 19 N 0.40 0.00 -0.28 -2.11 4.64 -1.00 -2.36 113.55 112.85 1aig h SER 19 Ca 0.08 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.28 1aig h SER 19 Cb 0.60 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.69 1aig h SER 19 CO 0.04 0.00 -0.28 0.15 -0.87 0.00 0.00 176.83 175.87 1aig h PHE 20 N 0.00 0.81 -0.77 4.77 3.57 -0.92 -2.55 116.94 121.86 1aig h PHE 20 Ca 0.00 -0.25 0.00 0.00 3.53 0.00 0.00 57.97 61.26 1aig h PHE 20 Cb 0.66 -0.17 -0.04 0.00 2.79 0.00 0.00 35.95 39.19 1aig h PHE 20 CO 0.00 0.98 0.49 -1.49 -2.23 0.00 0.00 178.31 176.06 1aig h TRP 21 N 0.41 0.98 -0.44 0.41 -0.00 -1.10 0.13 115.95 116.34 1aig h TRP 21 Ca 0.04 0.01 0.03 0.00 -0.00 0.00 0.00 58.89 58.98 1aig h TRP 21 Cb 0.85 -0.33 -0.03 0.00 -0.00 0.00 0.00 29.16 29.64 1aig h TRP 21 CO 0.07 0.64 0.23 0.82 -0.00 0.00 0.00 178.44 180.20 1aig h ILE 22 N 1.04 0.99 -0.39 1.49 1.08 -1.42 -2.62 117.51 117.68 1aig h ILE 22 Ca 0.28 -0.16 -0.07 0.00 -0.39 0.00 0.00 64.86 64.52 1aig h ILE 22 Cb -0.09 0.49 -0.02 0.00 -3.07 0.00 0.00 36.82 34.13 1aig h ILE 22 CO -0.06 0.08 -0.04 0.15 -0.69 0.00 0.00 178.15 177.60 1aig h PHE 23 N 0.47 0.69 0.00 1.37 3.57 -0.95 -3.01 116.94 119.07 1aig h PHE 23 Ca 0.18 -0.09 -0.12 0.00 3.53 0.00 0.00 57.97 61.47 1aig h PHE 23 Cb 0.07 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 38.60 1aig h PHE 23 CO -0.09 0.68 -0.59 1.25 -2.23 0.00 0.00 178.31 177.33 1aig h LEU 24 N 0.61 0.00 -0.53 0.59 5.85 -0.43 -2.04 115.31 119.36 1aig h LEU 24 Ca 0.12 0.00 -0.16 0.00 0.84 0.00 0.00 57.88 58.68 1aig h LEU 24 Cb 0.44 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.46 1aig h LEU 24 CO 0.02 0.59 -0.65 0.00 -0.34 0.00 0.00 178.44 178.06 1aig h ALA 25 N 1.41 0.73 -0.23 1.25 0.00 -1.44 -1.04 119.26 119.94 1aig h ALA 25 Ca -0.01 -0.57 -0.13 0.00 0.00 0.00 0.00 54.91 54.21 1aig h ALA 25 Cb 1.16 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 1aig h ALA 25 CO 0.08 0.74 -0.40 0.78 0.00 0.00 0.00 179.25 180.45 1aig h GLY 26 N 1.38 0.58 1.24 0.00 0.00 -1.39 -0.31 103.07 104.56 1aig h GLY 26 Ca -0.01 -0.57 -0.21 0.00 0.00 0.00 0.00 47.33 46.54 1aig h GLY 26 CO 0.11 0.52 -0.71 -2.00 0.00 0.00 0.00 176.54 174.46 1aig h LEU 27 N 0.44 0.88 -0.50 3.11 5.85 -1.26 0.14 115.31 123.98 1aig h LEU 27 Ca 0.04 -0.55 -0.09 0.00 0.84 0.00 0.00 57.88 58.12 1aig h LEU 27 Cb 0.89 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.65 1aig h LEU 27 CO 0.08 1.34 -0.02 0.40 -0.34 0.00 0.00 178.44 179.89 1aig h ILE 28 N 0.54 1.27 -0.91 4.05 2.04 -1.16 0.19 117.51 123.52 1aig h ILE 28 Ca -0.03 -1.12 0.04 0.00 1.00 0.00 0.00 64.86 64.75 1aig h ILE 28 Cb 1.32 1.00 -0.06 0.00 -0.74 0.00 0.00 36.82 38.34 1aig h ILE 28 CO 0.14 0.39 0.59 0.22 0.00 0.00 0.00 178.15 179.49 1aig h TYR 29 N 0.75 1.10 0.25 1.37 3.20 -0.97 0.11 116.97 122.78 1aig h TYR 29 Ca 0.14 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.02 1aig h TYR 29 Cb 0.55 -0.36 0.00 0.00 1.54 0.00 0.00 36.73 38.46 1aig h TYR 29 CO 0.04 0.62 -0.12 -0.92 -1.64 0.00 0.00 178.16 176.14 1aig h TYR 30 N 1.12 -0.31 -0.23 -3.82 3.20 -0.45 -1.43 116.97 115.05 1aig h TYR 30 Ca 0.37 -0.01 -0.12 0.00 3.14 0.00 0.00 58.73 62.12 1aig h TYR 30 Cb 0.04 0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.40 1aig h TYR 30 CO -0.02 -0.04 -0.35 -0.07 -1.64 0.00 0.00 178.16 176.05 1aig h LEU 31 N -0.56 0.52 -0.27 2.82 3.38 -0.46 -0.65 115.31 120.09 1aig h LEU 31 Ca -0.03 -0.21 -0.15 0.00 0.09 0.00 0.00 57.88 57.58 1aig h LEU 31 Cb 0.41 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.02 1aig h LEU 31 CO 0.06 0.83 -0.40 -0.61 0.09 0.00 0.00 178.44 178.41 1aig h GLN 32 N 0.43 0.75 -0.02 1.13 5.75 -0.77 -1.96 115.11 120.42 1aig h GLN 32 Ca 0.05 -0.44 -0.08 0.00 -0.15 0.00 0.00 58.65 58.02 1aig h GLN 32 Cb 0.81 0.04 -0.01 0.00 1.07 0.00 0.00 27.48 29.39 1aig h GLN 32 CO 0.07 1.07 -0.39 1.79 -2.65 0.00 0.00 178.83 178.72 1aig h THR 33 N 0.50 1.28 0.00 2.39 1.35 -0.99 -2.82 112.91 114.63 1aig h THR 33 Ca 0.03 -1.35 -0.06 0.00 -0.55 0.00 0.00 66.41 64.48 1aig h THR 33 Cb 0.99 1.71 -0.01 0.00 -1.73 0.00 0.00 68.15 69.11 1aig h THR 33 CO 0.09 0.39 -0.30 -0.08 -0.25 0.00 0.00 175.52 175.37 1aig h GLU 34 N 0.03 0.00 -0.77 4.72 4.57 -0.93 -1.52 114.58 120.68 1aig h GLU 34 Ca 0.00 0.00 -0.06 0.00 -1.18 0.00 0.00 59.36 58.12 1aig h GLU 34 Cb 0.70 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.25 1aig h GLU 34 CO 0.05 0.30 0.08 0.09 -1.18 0.00 0.00 179.01 178.35 1aig n ASN 35 N -3.29 4.05 -0.58 1.04 3.02 -0.75 -3.66 115.26 115.09 1aig n ASN 35 Ca 0.01 -2.71 0.06 0.00 -0.03 0.00 0.00 54.58 51.92 1aig n ASN 35 Cb 0.55 -0.64 0.10 0.00 -0.61 0.00 0.00 39.78 39.17 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 0.23 1.55 0.24 3.52 2.81 -0.57 -4.64 117.12 120.25 1aig n MET 36 Ca 0.23 -1.58 0.10 0.00 -1.81 0.00 0.00 57.70 54.64 1aig n MET 36 Cb 0.96 -1.26 0.57 0.00 -0.71 0.00 0.00 33.22 32.78 1aig n MET 36 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1aig h ARG 37 N 2.35 0.00 -6.62 0.03 3.08 -1.69 -3.38 114.38 108.15 1aig h ARG 37 Ca 0.00 0.00 -0.66 0.00 0.07 0.00 0.00 59.98 59.39 1aig h ARG 37 Cb 0.61 0.00 -0.25 0.00 0.08 0.00 0.00 29.97 30.41 1aig h ARG 37 CO 0.00 0.20 -0.87 -1.21 -1.07 0.00 0.00 179.97 177.02 1aig s GLU 38 N -3.92 1.58 0.00 0.04 0.41 -1.26 -3.76 118.70 111.79 1aig s GLU 38 Ca -0.01 -1.14 0.00 0.00 -0.41 0.00 0.00 54.97 53.41 1aig s GLU 38 Cb 0.12 -1.83 0.00 0.00 -1.78 0.00 0.00 34.13 30.64 1aig s GLU 38 CO 0.62 0.46 0.00 0.41 -0.49 0.00 0.00 175.26 176.26 1aig n GLY 39 N 1.53 2.82 3.97 -1.39 0.00 -1.26 -5.04 105.19 105.83 1aig n GLY 39 Ca -0.17 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.02 3.26 0.47 1.61 1.51 -1.26 -4.38 117.35 116.55 1aig s TYR 40 Ca 0.00 -0.13 -0.24 0.00 -1.01 0.00 0.00 57.07 55.70 1aig s TYR 40 Cb 0.00 -1.78 -0.07 0.00 -0.11 0.00 0.00 41.96 40.00 1aig s TYR 40 CO 0.00 0.21 1.32 -2.14 -1.11 0.00 0.00 175.55 173.84 1aig s PRO 41 N -4.07 3.58 0.40 -1.71 0.02 -1.26 -4.83 135.00 127.14 1aig s PRO 41 Ca 0.40 2.17 -0.27 0.00 0.02 0.00 0.00 61.00 63.32 1aig s PRO 41 Cb -0.09 -2.50 -0.09 0.00 0.02 0.00 0.00 34.50 31.83 1aig s PRO 41 CO 0.30 -0.81 1.37 -0.51 -0.33 0.00 0.00 177.00 177.02 1aig s LEU 42 N -2.97 4.24 0.34 -5.54 1.43 -1.26 -4.94 118.68 109.97 1aig s LEU 42 Ca 0.64 2.80 0.09 0.00 -1.03 0.00 0.00 54.13 56.63 1aig s LEU 42 Cb -0.38 -3.83 -0.06 0.00 0.03 0.00 0.00 46.19 41.95 1aig s LEU 42 CO 0.48 -0.90 0.00 -1.61 0.23 0.00 0.00 176.35 174.55 1aig s GLU 43 N -2.20 2.05 0.71 1.70 2.02 -1.26 -1.66 118.70 120.06 1aig s GLU 43 Ca 0.56 -1.77 -0.08 0.00 0.02 0.00 0.00 54.97 53.70 1aig s GLU 43 Cb -0.41 -1.91 0.06 0.00 0.10 0.00 0.00 34.13 31.97 1aig s GLU 43 CO 0.54 0.13 1.04 -0.80 0.02 0.00 0.00 175.26 176.19 1aig s ASN 44 N -3.71 4.83 0.18 -0.19 0.01 -0.83 -4.59 114.94 110.64 1aig s ASN 44 Ca 0.35 0.54 0.14 0.00 -0.71 0.00 0.00 52.86 53.18 1aig s ASN 44 Cb 0.00 -1.19 0.71 0.00 0.41 0.00 0.00 41.25 41.18 1aig s ASN 44 CO 0.19 -1.61 1.43 -0.62 -1.51 0.00 0.00 177.10 174.98 1aig n GLU 45 N -2.97 0.09 0.05 -0.60 1.02 -1.26 -1.83 120.64 115.15 1aig n GLU 45 Ca 0.08 0.53 -0.03 0.00 -0.02 0.00 0.00 57.16 57.72 1aig n GLU 45 Cb 0.60 -1.75 -0.08 0.00 -0.02 0.00 0.00 31.44 30.19 1aig n GLU 45 CO 0.00 0.00 0.00 0.38 1.18 0.00 0.00 177.13 178.69 1aig h ASP 46 N 0.00 0.00 0.00 1.62 3.04 -2.03 -3.49 116.42 115.56 1aig h ASP 46 Ca 0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 1aig h ASP 46 Cb 0.07 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.36 1aig h ASP 46 CO 0.00 0.75 0.00 0.61 -2.04 0.00 0.00 179.24 178.56 1aig n GLY 47 N 1.38 1.51 3.74 7.15 0.00 -0.76 -5.14 105.19 113.08 1aig n GLY 47 Ca -0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.27 3.02 0.23 2.61 -4.23 -1.26 -4.73 115.64 110.01 1aig s THR 48 Ca 0.00 0.33 -0.32 0.00 -1.18 0.00 0.00 61.69 60.53 1aig s THR 48 Cb 0.00 -2.73 -0.12 0.00 1.34 0.00 0.00 72.50 70.99 1aig s THR 48 CO 0.00 -0.43 1.63 -2.65 -0.54 0.00 0.00 174.62 172.62 1aig n PRO 49 N -3.70 2.56 -2.13 3.99 -0.02 -1.26 -1.96 135.00 132.47 1aig n PRO 49 Ca 0.09 0.92 -0.40 0.00 -2.02 0.00 0.00 63.50 62.09 1aig n PRO 49 Cb 0.53 -2.71 -0.02 0.00 -0.02 0.00 0.00 33.50 31.28 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 0.64 3.40 0.06 3.55 0.00 -0.67 -4.69 121.76 124.05 1aig s ALA 50 Ca 0.72 1.21 -0.32 0.00 0.00 0.00 0.00 51.96 53.57 1aig s ALA 50 Cb -0.55 -3.46 -0.16 0.00 0.00 0.00 0.00 23.12 18.94 1aig s ALA 50 CO 0.40 -0.66 1.49 0.00 0.00 0.00 0.00 175.76 176.99 1aig h ALA 51 N 3.14 -1.20 -1.77 0.00 0.00 -1.93 -3.36 119.26 114.13 1aig h ALA 51 Ca -0.49 -0.21 -0.56 0.00 0.00 0.00 0.00 54.91 53.65 1aig h ALA 51 Cb 1.23 0.58 -0.06 0.00 0.00 0.00 0.00 17.79 19.54 1aig h ALA 51 CO 0.64 -1.18 0.99 1.21 0.00 0.00 0.00 179.25 180.92 1aig s ASN 52 N -3.91 6.51 -0.07 0.00 2.47 -1.26 -4.87 114.94 113.81 1aig s ASN 52 Ca -0.16 0.69 0.17 0.00 0.42 0.00 0.00 52.86 53.97 1aig s ASN 52 Cb 0.03 -2.54 0.56 0.00 -1.45 0.00 0.00 41.25 37.85 1aig s ASN 52 CO 0.52 -1.31 1.48 1.67 -3.72 0.00 0.00 177.10 175.73 1aig n GLN 53 N 7.89 3.21 0.00 0.43 -0.06 -1.26 -4.98 117.38 122.61 1aig n GLN 53 Ca 0.14 -2.61 0.00 0.00 -2.00 0.00 0.00 57.00 52.54 1aig n GLN 53 Cb 0.48 -1.65 0.00 0.00 -4.06 0.00 0.00 30.24 25.01 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 0.80 -1.46 0.28 1.69 0.00 -1.26 -4.76 105.19 100.48 1aig n GLY 54 Ca 0.21 -1.33 0.19 0.00 0.00 0.00 0.00 46.02 45.08 1aig n GLY 54 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1aig h PRO 55 N 0.00 0.00 -5.81 1.61 0.13 -2.03 -3.44 132.00 122.46 1aig h PRO 55 Ca 0.00 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.55 1aig h PRO 55 Cb 0.00 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 31.05 1aig h PRO 55 CO 0.00 0.00 0.21 -0.06 -0.23 0.00 0.00 178.00 177.92 1aig s PHE 56 N -3.81 3.41 0.29 1.56 0.40 -1.26 -5.06 117.98 113.52 1aig s PHE 56 Ca -0.01 1.08 -0.28 0.00 -0.60 0.00 0.00 56.93 57.13 1aig s PHE 56 Cb 0.10 -2.88 -0.14 0.00 0.51 0.00 0.00 43.02 40.62 1aig s PHE 56 CO 0.47 -0.17 1.00 -2.30 0.70 0.00 0.00 175.22 174.92 1aig n PRO 57 N 4.96 1.33 -2.10 0.24 -0.02 -1.26 -4.96 135.00 133.18 1aig n PRO 57 Ca 0.01 0.47 -0.42 0.00 -2.02 0.00 0.00 63.50 61.54 1aig n PRO 57 Cb 0.50 -1.83 -0.03 0.00 -0.02 0.00 0.00 33.50 32.11 1aig n PRO 57 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1aig s LEU 58 N 0.47 4.38 0.39 2.45 1.43 -1.26 -4.80 118.68 121.74 1aig s LEU 58 Ca 0.59 2.45 -0.25 0.00 -1.03 0.00 0.00 54.13 55.88 1aig s LEU 58 Cb -0.70 -3.60 -0.09 0.00 0.03 0.00 0.00 46.19 41.84 1aig s LEU 58 CO 0.60 -0.68 1.16 -2.16 0.23 0.00 0.00 176.35 175.50 1aig s PRO 59 N 0.74 4.08 0.45 1.29 0.04 -1.26 -4.98 135.00 135.36 1aig s PRO 59 Ca 0.64 1.83 -0.23 0.00 0.04 0.00 0.00 61.00 63.27 1aig s PRO 59 Cb -0.39 -2.69 -0.08 0.00 0.04 0.00 0.00 34.50 31.38 1aig s PRO 59 CO 0.33 -0.29 1.14 -1.59 0.04 0.00 0.00 177.00 176.64 1aig s LYS 60 N -2.27 3.84 0.19 4.56 0.00 -1.26 -4.57 119.74 120.23 1aig s LYS 60 Ca 0.57 1.73 -0.33 0.00 0.00 0.00 0.00 55.97 57.94 1aig s LYS 60 Cb -0.30 -2.44 -0.13 0.00 0.00 0.00 0.00 37.83 34.96 1aig s LYS 60 CO 0.38 -0.47 1.57 -2.30 0.00 0.00 0.00 175.35 174.53 1aig n PRO 61 N -0.40 2.26 -4.00 1.78 -0.02 -1.26 -4.77 135.00 128.59 1aig n PRO 61 Ca 0.07 0.81 -0.33 0.00 -2.02 0.00 0.00 63.50 62.03 1aig n PRO 61 Cb 0.48 -2.57 -0.06 0.00 -0.02 0.00 0.00 33.50 31.33 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 0.57 3.26 -0.14 -0.52 2.20 -0.88 -4.99 119.74 119.24 1aig s LYS 62 Ca 0.75 -0.39 0.00 0.00 -0.36 0.00 0.00 55.97 55.97 1aig s LYS 62 Cb -0.63 -2.99 0.02 0.00 -1.51 0.00 0.00 37.83 32.72 1aig s LYS 62 CO 0.40 0.67 -0.13 0.99 -0.36 0.00 0.00 175.35 176.93 1aig s THR 63 N -1.24 1.44 0.09 3.43 2.01 -1.26 -2.43 115.64 117.68 1aig s THR 63 Ca 0.24 -0.55 -0.19 0.00 0.31 0.00 0.00 61.69 61.50 1aig s THR 63 Cb -0.12 -1.37 -0.07 0.00 0.01 0.00 0.00 72.50 70.95 1aig s THR 63 CO 0.15 0.44 0.57 -0.36 -0.69 0.00 0.00 174.62 174.73 1aig s PHE 64 N 1.52 3.78 -0.67 4.92 0.08 -0.12 -4.94 117.98 122.55 1aig s PHE 64 Ca 0.05 1.26 -0.11 0.00 0.12 0.00 0.00 56.93 58.25 1aig s PHE 64 Cb -0.13 -2.49 0.17 0.00 -0.57 0.00 0.00 43.02 40.01 1aig s PHE 64 CO -0.10 0.56 0.57 0.42 -0.10 0.00 0.00 175.22 176.57 1aig s ILE 65 N -1.17 4.82 0.46 0.64 1.01 -1.26 -1.68 121.20 124.01 1aig s ILE 65 Ca 0.31 -2.34 -0.24 0.00 0.00 0.00 0.00 60.65 58.37 1aig s ILE 65 Cb -0.19 -4.06 -0.09 0.00 0.01 0.00 0.00 42.46 38.14 1aig s ILE 65 CO 0.19 -0.92 1.29 0.18 0.00 0.00 0.00 174.94 175.68 1aig n LEU 66 N 4.19 4.39 -4.81 2.97 4.32 -0.71 -4.98 117.00 122.38 1aig n LEU 66 Ca 0.05 1.07 -0.32 0.00 -0.02 0.00 0.00 56.01 56.79 1aig n LEU 66 Cb 0.43 -1.52 0.02 0.00 -1.62 0.00 0.00 43.42 40.72 1aig n LEU 66 CO 0.38 -0.64 0.71 -2.16 -1.22 0.00 0.00 177.39 174.46 1aig s PRO 67 N -2.38 3.27 -1.16 3.23 0.04 -1.26 -4.02 135.00 132.72 1aig s PRO 67 Ca 0.63 1.12 -0.06 0.00 0.04 0.00 0.00 61.00 62.73 1aig s PRO 67 Cb -0.48 -2.03 0.01 0.00 0.04 0.00 0.00 34.50 32.04 1aig s PRO 67 CO 0.56 -0.84 1.01 0.72 0.04 0.00 0.00 177.00 178.49 1aig n HIS 68 N -2.28 -2.42 -3.75 0.56 8.25 -1.26 -3.48 115.22 110.84 1aig n HIS 68 Ca 0.08 0.88 -0.23 0.00 -0.26 0.00 0.00 57.72 58.19 1aig n HIS 68 Cb 0.53 -4.55 0.03 0.00 1.12 0.00 0.00 29.99 27.11 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 -1.70 -0.31 1.47 -1.41 0.00 -1.26 -4.90 105.19 97.08 1aig n GLY 69 Ca -0.04 0.14 0.09 0.00 0.00 0.00 0.00 46.02 46.21 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 -4.34 3.42 0.00 1.61 1.74 -1.23 -5.04 116.66 112.82 1aig n ARG 70 Ca -0.26 -2.60 0.00 0.00 -0.77 0.00 0.00 57.85 54.22 1aig n ARG 70 Cb 0.66 -1.82 0.00 0.00 -1.02 0.00 0.00 32.46 30.28 1aig n ARG 70 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1aig n GLY 71 N 1.12 0.72 3.19 -0.13 0.00 -1.26 -4.86 105.19 103.98 1aig n GLY 71 Ca 0.24 -1.25 -0.12 0.00 0.00 0.00 0.00 46.02 44.89 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 0.72 -0.14 2.61 -4.23 -1.26 -1.74 115.64 111.60 1aig s THR 72 Ca 0.00 -1.96 -0.00 0.00 -1.18 0.00 0.00 61.69 58.55 1aig s THR 72 Cb 0.00 -1.82 0.03 0.00 1.34 0.00 0.00 72.50 72.05 1aig s THR 72 CO 0.00 -0.75 -0.08 -0.22 -0.54 0.00 0.00 174.62 173.02 1aig s LEU 73 N -3.09 1.51 -0.27 4.79 0.20 -0.68 -4.90 118.68 116.24 1aig s LEU 73 Ca 0.16 -0.50 -0.02 0.00 0.69 0.00 0.00 54.13 54.46 1aig s LEU 73 Cb 0.05 -0.96 0.03 0.00 -0.43 0.00 0.00 46.19 44.88 1aig s LEU 73 CO -0.02 -0.13 -0.03 -0.89 -0.29 0.00 0.00 176.35 175.00 1aig s THR 74 N 1.61 3.00 -0.02 3.68 2.01 -1.26 -0.94 115.64 123.72 1aig s THR 74 Ca 0.03 -1.15 0.04 0.00 0.31 0.00 0.00 61.69 60.91 1aig s THR 74 Cb -0.14 -2.61 -0.01 0.00 0.01 0.00 0.00 72.50 69.76 1aig s THR 74 CO -0.09 0.06 -0.12 0.54 -0.69 0.00 0.00 174.62 174.32 1aig s VAL 75 N 1.31 0.97 0.27 3.82 0.11 -1.02 -3.45 120.40 122.40 1aig s VAL 75 Ca -0.02 -0.50 -0.30 0.00 -2.93 0.00 0.00 61.98 58.23 1aig s VAL 75 Cb -0.18 -0.82 -0.10 0.00 -1.53 0.00 0.00 36.38 33.75 1aig s VAL 75 CO -0.02 0.28 1.44 -2.16 -3.33 0.00 0.00 175.10 171.30 1aig s PRO 76 N -0.14 4.26 0.26 1.54 0.04 -1.25 -2.06 135.00 137.65 1aig s PRO 76 Ca 0.02 2.33 0.04 0.00 0.04 0.00 0.00 61.00 63.43 1aig s PRO 76 Cb -0.06 -3.09 -0.02 0.00 0.04 0.00 0.00 34.50 31.37 1aig s PRO 76 CO -0.00 -0.41 0.16 0.41 0.04 0.00 0.00 177.00 177.19 1aig n GLY 77 N 1.92 3.34 3.70 0.56 0.00 -1.22 -4.77 105.19 108.71 1aig n GLY 77 Ca 0.06 -1.93 -0.42 0.00 0.00 0.00 0.00 46.02 43.72 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 -3.04 4.32 0.48 1.61 0.02 -1.26 -4.90 135.00 132.23 1aig s PRO 78 Ca 0.22 1.94 -0.24 0.00 0.02 0.00 0.00 61.00 62.94 1aig s PRO 78 Cb 0.01 -3.45 -0.07 0.00 0.02 0.00 0.00 34.50 31.01 1aig s PRO 78 CO 0.16 -0.48 1.36 -0.85 -0.33 0.00 0.00 177.00 176.87 1aig n GLU 79 N 4.74 1.97 0.00 5.54 0.00 -1.26 -4.94 120.64 126.69 1aig n GLU 79 Ca 0.12 0.71 0.13 0.00 0.00 0.00 0.00 57.16 58.12 1aig n GLU 79 Cb 0.44 -2.55 0.75 0.00 0.00 0.00 0.00 31.44 30.07 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 -0.38 0.00 -4.58 -1.84 3.41 -1.26 -4.81 113.62 104.16 1aig n SER 80 Ca 0.07 -0.72 -0.42 0.00 -0.26 0.00 0.00 58.87 57.54 1aig n SER 80 Cb 0.42 -0.03 -0.02 0.00 -0.26 0.00 0.00 64.21 64.32 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 -2.06 3.50 0.00 4.33 0.41 -1.26 -4.68 118.70 118.93 1aig s GLU 81 Ca 0.37 0.44 0.00 0.00 -0.41 0.00 0.00 54.97 55.37 1aig s GLU 81 Cb 0.18 -4.03 0.00 0.00 -1.78 0.00 0.00 34.13 28.50 1aig s GLU 81 CO 0.31 -1.69 0.00 -0.40 -0.49 0.00 0.00 175.26 172.98 1aig n ASP 82 N 8.71 0.65 -4.77 -0.19 5.68 -1.26 -5.09 116.55 120.29 1aig n ASP 82 Ca 0.11 -0.15 -0.37 0.00 -0.50 0.00 0.00 54.79 53.88 1aig n ASP 82 Cb 0.49 0.43 0.00 0.00 -1.14 0.00 0.00 41.12 40.90 1aig n ASP 82 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1aig s ARG 83 N -0.56 3.60 -0.00 0.11 1.70 -1.26 -4.97 118.95 117.57 1aig s ARG 83 Ca 0.00 1.88 -0.30 0.00 -0.47 0.00 0.00 55.73 56.84 1aig s ARG 83 Cb 0.00 -2.36 -0.07 0.00 -0.57 0.00 0.00 34.95 31.94 1aig s ARG 83 CO 0.00 -0.71 1.78 -2.14 -1.08 0.00 0.00 175.30 173.15 1aig s PRO 84 N -2.76 4.17 -0.79 3.89 0.02 -1.26 -4.97 135.00 133.30 1aig s PRO 84 Ca 0.66 2.38 -0.19 0.00 0.02 0.00 0.00 61.00 63.87 1aig s PRO 84 Cb -0.31 -4.00 0.12 0.00 0.02 0.00 0.00 34.50 30.33 1aig s PRO 84 CO 0.38 -0.87 0.95 0.42 -0.33 0.00 0.00 177.00 177.54 1aig s ILE 85 N 4.01 4.79 -1.25 2.83 -1.09 -1.26 -4.99 121.20 124.24 1aig s ILE 85 Ca 0.79 -1.33 -0.19 0.00 -2.23 0.00 0.00 60.65 57.69 1aig s ILE 85 Cb -0.38 -4.66 0.00 0.00 -1.58 0.00 0.00 42.46 35.85 1aig s ILE 85 CO 0.35 -1.35 1.85 0.00 -1.23 0.00 0.00 174.94 174.56 1aig n ALA 86 N 6.38 3.14 -3.17 9.38 0.00 -1.26 -4.80 120.51 130.19 1aig n ALA 86 Ca 0.10 -3.56 -0.09 0.00 0.00 0.00 0.00 53.44 49.88 1aig n ALA 86 Cb 0.47 -3.56 -0.05 0.00 0.00 0.00 0.00 19.45 16.31 1aig n ALA 86 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1aig s LEU 87 N 6.09 0.29 -0.17 0.00 2.96 -1.26 -2.31 118.68 124.28 1aig s LEU 87 Ca 0.58 -0.59 -0.23 0.00 -0.22 0.00 0.00 54.13 53.67 1aig s LEU 87 Cb 0.04 1.92 0.06 0.00 0.50 0.00 0.00 46.19 48.70 1aig s LEU 87 CO 0.09 -1.02 0.61 0.00 -1.32 0.00 0.00 176.35 174.70 1aig s ALA 88 N -3.90 -1.53 0.40 5.97 0.00 -0.40 -4.77 121.76 117.53 1aig s ALA 88 Ca 0.11 1.54 -0.25 0.00 0.00 0.00 0.00 51.96 53.35 1aig s ALA 88 Cb -0.00 -0.69 -0.11 0.00 0.00 0.00 0.00 23.12 22.32 1aig s ALA 88 CO -0.02 -0.31 1.12 -2.13 0.00 0.00 0.00 175.76 174.42 1aig n ARG 89 N 2.20 1.61 0.00 0.00 0.63 -1.26 -1.50 116.66 118.33 1aig n ARG 89 Ca -0.16 0.57 0.03 0.00 -0.92 0.00 0.00 57.85 57.38 1aig n ARG 89 Cb 0.56 -2.15 -0.01 0.00 0.45 0.00 0.00 32.46 31.31 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 -0.23 0.00 -3.68 5.15 -2.24 -1.08 -4.83 114.28 107.36 1aig n THR 90 Ca 0.08 -0.42 -0.14 0.00 -2.27 0.00 0.00 64.05 61.30 1aig n THR 90 Cb 0.38 1.07 -0.08 0.00 -2.10 0.00 0.00 70.33 69.60 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 -1.14 -1.17 0.17 6.98 0.00 -1.26 -5.05 121.76 120.29 1aig s ALA 91 Ca 0.05 0.95 -0.14 0.00 0.00 0.00 0.00 51.96 52.82 1aig s ALA 91 Cb 0.05 -0.27 0.13 0.00 0.00 0.00 0.00 23.12 23.03 1aig s ALA 91 CO 0.18 -0.27 1.77 0.28 0.00 0.00 0.00 175.76 177.72 1aig h VAL 92 N 3.85 0.91 -3.12 0.00 2.07 -2.01 -3.42 116.25 114.52 1aig h VAL 92 Ca -0.28 -0.14 -0.53 0.00 0.82 0.00 0.00 66.70 66.58 1aig h VAL 92 Cb 1.17 0.47 0.06 0.00 -1.52 0.00 0.00 31.29 31.47 1aig h VAL 92 CO 0.32 0.07 0.85 -0.94 0.02 0.00 0.00 177.57 177.89 1aig s SER 93 N -5.43 6.55 0.96 0.57 1.04 -1.26 -5.01 113.70 111.12 1aig s SER 93 Ca -0.13 2.73 -0.11 0.00 0.48 0.00 0.00 55.95 58.92 1aig s SER 93 Cb 0.13 -2.61 0.15 0.00 0.10 0.00 0.00 66.02 63.79 1aig s SER 93 CO 0.73 -0.81 1.00 -0.62 0.98 0.00 0.00 173.24 174.51 1aig n GLU 94 N 2.98 -0.75 -0.44 4.02 -0.58 -1.26 -4.20 120.64 120.42 1aig n GLU 94 Ca 0.10 -0.16 0.00 0.00 -0.42 0.00 0.00 57.16 56.68 1aig n GLU 94 Cb 0.39 -2.26 0.00 0.00 -0.57 0.00 0.00 31.44 29.00 1aig n GLU 94 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1aig n GLY 95 N 0.59 0.78 3.91 0.62 0.00 -1.26 -5.09 105.19 104.74 1aig n GLY 95 Ca 0.10 -0.01 -0.22 0.00 0.00 0.00 0.00 46.02 45.88 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 2.26 0.82 1.61 0.40 -1.26 -5.11 117.98 114.70 1aig s PHE 96 Ca 0.00 -0.61 -0.14 0.00 -0.60 0.00 0.00 56.93 55.58 1aig s PHE 96 Cb 0.00 -2.12 0.05 0.00 0.51 0.00 0.00 43.02 41.46 1aig s PHE 96 CO 0.00 -0.36 0.87 -2.30 0.70 0.00 0.00 175.22 174.13 1aig n PRO 97 N -1.71 0.08 -3.87 0.24 -0.02 -1.26 -4.89 135.00 123.56 1aig n PRO 97 Ca 0.04 0.09 -0.30 0.00 -2.02 0.00 0.00 63.50 61.31 1aig n PRO 97 Cb 0.62 -2.17 -0.16 0.00 -0.02 0.00 0.00 33.50 31.78 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 -2.16 2.14 0.38 6.00 3.76 -1.26 -2.64 115.29 121.51 1aig s HIS 98 Ca 0.68 -1.69 -0.25 0.00 -0.15 0.00 0.00 55.06 53.65 1aig s HIS 98 Cb -0.29 -1.61 -0.09 0.00 1.11 0.00 0.00 32.58 31.71 1aig s HIS 98 CO 0.56 -0.77 1.05 0.00 -0.85 0.00 0.00 174.74 174.73 1aig s ALA 99 N 1.48 3.13 0.20 -1.40 0.00 -0.56 -4.62 121.76 119.99 1aig s ALA 99 Ca -0.01 0.71 -0.32 0.00 0.00 0.00 0.00 51.96 52.34 1aig s ALA 99 Cb -0.18 -3.27 -0.13 0.00 0.00 0.00 0.00 23.12 19.54 1aig s ALA 99 CO -0.10 -0.17 1.64 -0.35 0.00 0.00 0.00 175.76 176.78 1aig n PRO 100 N 0.13 2.50 0.10 0.00 -0.04 -1.26 -1.27 135.00 135.16 1aig n PRO 100 Ca 0.04 0.90 -0.16 0.00 -0.04 0.00 0.00 63.50 64.24 1aig n PRO 100 Cb 0.49 -2.70 -0.12 0.00 -0.04 0.00 0.00 33.50 31.13 1aig n PRO 100 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 1aig h THR 101 N 3.63 1.46 0.00 0.52 1.35 -1.76 -3.46 112.91 114.64 1aig h THR 101 Ca -0.44 -2.90 0.00 0.00 -0.55 0.00 0.00 66.41 62.52 1aig h THR 101 Cb 1.23 2.85 0.00 0.00 -1.73 0.00 0.00 68.15 70.50 1aig h THR 101 CO 0.90 0.85 0.00 0.61 -0.25 0.00 0.00 175.52 177.63 1aig n GLY 102 N 1.43 1.70 3.51 5.82 0.00 -1.26 -5.06 105.19 111.33 1aig n GLY 102 Ca -0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.52 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 0.57 6.10 0.33 1.61 2.15 -1.26 -4.99 116.67 121.16 1aig s ASP 103 Ca 0.00 -0.56 0.11 0.00 0.43 0.00 0.00 52.55 52.53 1aig s ASP 103 Cb 0.00 -2.16 0.96 0.00 -0.30 0.00 0.00 42.92 41.42 1aig s ASP 103 CO 0.00 -0.33 1.69 1.55 -0.17 0.00 0.00 175.17 177.91 1aig h PRO 104 N 8.54 0.43 -0.04 4.34 0.13 -1.91 -1.07 132.00 142.41 1aig h PRO 104 Ca -0.30 -0.03 0.02 0.00 -0.87 0.00 0.00 66.00 64.83 1aig h PRO 104 Cb 1.14 -0.10 -0.02 0.00 0.13 0.00 0.00 31.00 32.15 1aig h PRO 104 CO 0.68 0.29 -0.08 0.52 -0.23 0.00 0.00 178.00 179.17 1aig h MET 105 N 0.44 -0.12 -0.32 0.86 2.86 -1.91 -0.51 114.93 116.24 1aig h MET 105 Ca 0.68 0.01 -0.13 0.00 -2.06 0.00 0.00 59.70 58.20 1aig h MET 105 Cb 1.41 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 33.08 1aig h MET 105 CO -0.54 -0.08 -0.32 0.87 1.06 0.00 0.00 176.91 177.90 1aig h LYS 106 N -0.12 0.70 0.00 1.72 1.57 -1.86 -3.23 116.57 115.36 1aig h LYS 106 Ca 0.05 -0.32 0.00 0.00 -1.87 0.00 0.00 60.65 58.51 1aig h LYS 106 Cb 0.18 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.48 1aig h LYS 106 CO -0.11 0.92 -0.33 -0.25 -0.57 0.00 0.00 179.45 179.10 1aig n ASP 107 N -4.07 0.46 -2.73 0.86 8.00 -0.44 -4.98 116.55 113.64 1aig n ASP 107 Ca -0.01 0.15 -0.04 0.00 0.71 0.00 0.00 54.79 55.61 1aig n ASP 107 Cb 0.48 -0.11 0.02 0.00 -0.02 0.00 0.00 41.12 41.49 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 1.43 -0.91 3.03 0.44 0.00 -0.22 -4.70 105.19 104.27 1aig n GLY 108 Ca 0.05 0.33 -0.11 0.00 0.00 0.00 0.00 46.02 46.30 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 -3.10 0.06 0.00 1.61 0.11 -1.08 -4.13 120.40 113.88 1aig s VAL 109 Ca 0.11 -0.51 0.00 0.00 -2.93 0.00 0.00 61.98 58.65 1aig s VAL 109 Cb -0.01 -0.29 0.00 0.00 -1.53 0.00 0.00 36.38 34.55 1aig s VAL 109 CO 0.57 -0.28 0.00 0.61 -3.33 0.00 0.00 175.10 172.67 1aig n GLY 110 N 2.04 1.62 0.00 6.54 0.00 -1.26 -1.81 105.19 112.32 1aig n GLY 110 Ca -0.19 -0.63 0.03 0.00 0.00 0.00 0.00 46.02 45.22 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 12.93 0.07 -0.22 1.61 -0.04 -1.26 -1.90 135.00 146.20 1aig n PRO 111 Ca 0.00 0.25 0.11 0.00 -0.04 0.00 0.00 63.50 63.82 1aig n PRO 111 Cb 0.00 -1.50 0.22 0.00 -0.04 0.00 0.00 33.50 32.18 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 -1.30 2.38 -0.62 0.55 0.00 -0.75 -2.28 120.51 118.49 1aig n ALA 112 Ca 0.02 -1.06 -0.29 0.00 0.00 0.00 0.00 53.44 52.11 1aig n ALA 112 Cb 0.04 -0.80 0.22 0.00 0.00 0.00 0.00 19.45 18.92 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 -1.28 1.58 0.02 0.00 0.01 -0.80 -3.48 113.70 109.76 1aig s SER 113 Ca 0.38 1.68 -0.27 0.00 1.31 0.00 0.00 55.95 59.05 1aig s SER 113 Cb 0.21 -2.36 0.07 0.00 0.21 0.00 0.00 66.02 64.15 1aig s SER 113 CO 0.29 -3.86 0.63 -1.66 0.41 0.00 0.00 173.24 169.06 1aig s TRP 114 N -2.54 -0.59 0.10 2.43 1.48 -1.26 -4.27 118.94 114.29 1aig s TRP 114 Ca 0.68 0.80 0.05 0.00 -1.06 0.00 0.00 56.10 56.57 1aig s TRP 114 Cb -0.24 0.44 -0.04 0.00 -1.16 0.00 0.00 33.47 32.47 1aig s TRP 114 CO 0.62 -0.68 0.00 0.08 -4.06 0.00 0.00 176.95 172.92 1aig s VAL 115 N -2.10 4.02 -1.13 -0.66 1.01 -1.26 -5.01 120.40 115.27 1aig s VAL 115 Ca -0.07 -1.01 -0.19 0.00 0.00 0.00 0.00 61.98 60.71 1aig s VAL 115 Cb -0.00 -2.93 -0.05 0.00 0.00 0.00 0.00 36.38 33.40 1aig s VAL 115 CO 0.02 0.10 2.00 0.00 0.00 0.00 0.00 175.10 177.21 1aig n ALA 116 N 0.50 3.83 -1.82 5.51 0.00 -1.26 -4.81 120.51 122.46 1aig n ALA 116 Ca -0.11 -3.53 -0.29 0.00 0.00 0.00 0.00 53.44 49.51 1aig n ALA 116 Cb 0.52 -3.58 0.08 0.00 0.00 0.00 0.00 19.45 16.47 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 4.53 2.20 -0.02 0.00 0.52 -1.26 -4.97 118.95 119.95 1aig s ARG 117 Ca 0.55 0.30 -0.36 0.00 -0.52 0.00 0.00 55.73 55.70 1aig s ARG 117 Cb 0.10 -1.96 -0.15 0.00 0.52 0.00 0.00 34.95 33.47 1aig s ARG 117 CO 0.05 -1.47 1.61 -2.13 0.02 0.00 0.00 175.30 173.38 1aig n ARG 118 N -3.27 1.61 -1.54 3.54 0.63 -1.26 -4.14 116.66 112.23 1aig n ARG 118 Ca 0.07 0.58 -0.38 0.00 -0.92 0.00 0.00 57.85 57.20 1aig n ARG 118 Cb 0.59 -2.31 -0.03 0.00 0.45 0.00 0.00 32.46 31.16 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 4.28 8.38 -3.67 6.15 2.03 -1.26 -2.17 116.55 130.29 1aig n ASP 119 Ca 0.21 -2.78 -0.14 0.00 0.52 0.00 0.00 54.79 52.60 1aig n ASP 119 Cb 0.22 -1.48 -0.08 0.00 -0.72 0.00 0.00 41.12 39.06 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 -0.67 0.11 0.64 -2.67 1.43 -1.26 -4.95 118.68 111.31 1aig s LEU 120 Ca 0.64 0.68 -0.17 0.00 -1.03 0.00 0.00 54.13 54.26 1aig s LEU 120 Cb 0.19 1.80 -0.01 0.00 0.03 0.00 0.00 46.19 48.20 1aig s LEU 120 CO -0.07 -0.36 1.18 -2.84 0.23 0.00 0.00 176.35 174.49 1aig s PRO 121 N -0.54 2.75 0.04 1.29 0.02 -1.25 -1.88 135.00 135.43 1aig s PRO 121 Ca -0.07 1.69 -0.31 0.00 0.02 0.00 0.00 61.00 62.34 1aig s PRO 121 Cb -0.03 -1.92 -0.06 0.00 0.02 0.00 0.00 34.50 32.51 1aig s PRO 121 CO 0.04 -1.35 1.38 -2.00 -0.33 0.00 0.00 177.00 174.74 1aig s GLU 122 N -3.65 4.31 0.41 5.54 2.12 -1.26 -4.80 118.70 121.37 1aig s GLU 122 Ca 0.74 1.98 -0.06 0.00 0.36 0.00 0.00 54.97 57.99 1aig s GLU 122 Cb -0.27 -3.45 -0.04 0.00 0.26 0.00 0.00 34.13 30.62 1aig s GLU 122 CO 0.38 -0.50 0.71 -0.51 -0.54 0.00 0.00 175.26 174.79 1aig s LEU 123 N 1.88 3.80 0.00 2.70 1.02 -1.26 -1.06 118.68 125.75 1aig s LEU 123 Ca 0.64 0.88 0.00 0.00 0.02 0.00 0.00 54.13 55.66 1aig s LEU 123 Cb -0.33 -3.78 0.00 0.00 0.02 0.00 0.00 46.19 42.10 1aig s LEU 123 CO 0.28 -0.44 0.02 -0.90 0.02 0.00 0.00 176.35 175.33 1aig n ASP 124 N -1.75 0.03 0.25 2.29 5.75 0.28 -4.63 116.55 118.76 1aig n ASP 124 Ca -0.00 -1.02 0.09 0.00 -0.01 0.00 0.00 54.79 53.85 1aig n ASP 124 Cb 0.55 -0.01 0.64 0.00 -1.03 0.00 0.00 41.12 41.27 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 -0.01 0.00 -1.10 6.12 0.00 -1.99 -2.54 103.07 103.54 1aig h GLY 125 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.32 1aig h GLY 125 CO 0.01 0.00 -0.02 1.42 0.00 0.00 0.00 176.54 177.94 1aig n HIS 126 N -3.99 0.00 -0.35 5.60 8.25 -1.26 -4.98 115.22 118.49 1aig n HIS 126 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 1aig n HIS 126 Cb 0.22 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.33 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 1.27 0.86 3.93 -1.41 0.00 -0.96 -5.06 105.19 103.82 1aig n GLY 127 Ca 0.16 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.80 3.07 0.28 1.61 3.76 -1.26 -4.73 115.29 115.22 1aig s HIS 128 Ca 0.00 0.43 -0.29 0.00 -0.15 0.00 0.00 55.06 55.05 1aig s HIS 128 Cb 0.00 -2.86 -0.10 0.00 1.11 0.00 0.00 32.58 30.73 1aig s HIS 128 CO 0.00 -1.00 1.36 -0.80 -0.85 0.00 0.00 174.74 173.45 1aig s ASN 129 N -4.39 6.75 -0.01 1.40 0.01 -1.26 -0.56 114.94 116.87 1aig s ASN 129 Ca 0.56 2.64 -0.23 0.00 -0.71 0.00 0.00 52.86 55.12 1aig s ASN 129 Cb -0.11 -2.63 -0.20 0.00 0.41 0.00 0.00 41.25 38.72 1aig s ASN 129 CO 0.43 -0.60 1.18 0.50 -1.51 0.00 0.00 177.10 177.11 1aig h LYS 130 N 4.30 0.22 -5.93 -0.60 3.64 -1.36 -3.43 116.57 113.40 1aig h LYS 130 Ca -0.47 -0.16 -0.68 0.00 -1.27 0.00 0.00 60.65 58.07 1aig h LYS 130 Cb 1.22 0.03 -0.14 0.00 -0.41 0.00 0.00 32.23 32.93 1aig h LYS 130 CO 0.72 0.79 -0.60 0.42 -2.27 0.00 0.00 179.45 178.51 1aig s ILE 131 N -3.73 4.49 -0.08 2.00 1.01 -1.26 -0.27 121.20 123.36 1aig s ILE 131 Ca -0.15 -0.19 -0.14 0.00 0.00 0.00 0.00 60.65 60.17 1aig s ILE 131 Cb 0.03 -2.90 0.03 0.00 0.01 0.00 0.00 42.46 39.63 1aig s ILE 131 CO 0.74 0.60 0.34 -0.75 0.00 0.00 0.00 174.94 175.87 1aig s LYS 132 N -0.93 0.53 0.37 2.79 2.20 -0.77 -4.55 119.74 119.39 1aig s LYS 132 Ca 0.14 0.22 -0.28 0.00 -0.36 0.00 0.00 55.97 55.68 1aig s LYS 132 Cb -0.11 0.25 -0.11 0.00 -1.51 0.00 0.00 37.83 36.34 1aig s LYS 132 CO 0.03 -0.11 1.49 -1.25 -0.36 0.00 0.00 175.35 175.15 1aig s PRO 133 N -0.45 4.12 0.62 4.03 0.04 -1.26 -1.29 135.00 140.80 1aig s PRO 133 Ca -0.06 2.56 0.36 0.00 0.04 0.00 0.00 61.00 63.90 1aig s PRO 133 Cb -0.04 -2.97 2.04 0.00 0.04 0.00 0.00 34.50 33.57 1aig s PRO 133 CO 0.02 -0.53 2.29 1.98 0.04 0.00 0.00 177.00 180.80 1aig h MET 134 N 3.12 0.00 0.14 4.56 4.05 -1.68 -0.68 114.93 124.43 1aig h MET 134 Ca -0.51 0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 58.91 1aig h MET 134 Cb 1.24 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.04 1aig h MET 134 CO 0.65 0.01 -0.07 0.87 0.23 0.00 0.00 176.91 178.60 1aig h LYS 135 N 0.00 -0.18 0.00 0.39 1.57 -1.90 -2.85 116.57 113.59 1aig h LYS 135 Ca -0.00 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1aig h LYS 135 Cb 0.02 0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.38 1aig h LYS 135 CO 0.00 -0.08 0.00 0.00 -0.57 0.00 0.00 179.45 178.80 1aig n ALA 136 N -2.20 2.41 -3.13 3.86 0.00 -0.35 -4.60 120.51 116.49 1aig n ALA 136 Ca -0.08 -0.15 -0.45 0.00 0.00 0.00 0.00 53.44 52.76 1aig n ALA 136 Cb 0.12 -1.43 -0.05 0.00 0.00 0.00 0.00 19.45 18.09 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 -2.24 3.50 -0.61 0.00 0.00 -0.66 -4.96 121.76 116.79 1aig s ALA 137 Ca 0.34 -2.29 -0.30 0.00 0.00 0.00 0.00 51.96 49.70 1aig s ALA 137 Cb 0.18 -3.40 -0.13 0.00 0.00 0.00 0.00 23.12 19.77 1aig s ALA 137 CO 0.35 -2.17 2.44 0.00 0.00 0.00 0.00 175.76 176.37 1aig n ALA 138 N 5.88 0.72 0.00 0.00 0.00 -1.26 -2.15 120.51 123.70 1aig n ALA 138 Ca -0.11 -0.48 0.00 0.00 0.00 0.00 0.00 53.44 52.85 1aig n ALA 138 Cb 0.42 -2.72 0.00 0.00 0.00 0.00 0.00 19.45 17.15 1aig n ALA 138 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1aig n GLY 139 N 6.32 3.07 3.76 0.00 0.00 -1.26 -5.05 105.19 112.04 1aig n GLY 139 Ca 0.47 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.13 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 -2.36 2.59 0.34 1.61 0.40 -0.91 -5.04 117.98 114.61 1aig s PHE 140 Ca 0.00 1.51 -0.18 0.00 -0.60 0.00 0.00 56.93 57.66 1aig s PHE 140 Cb 0.00 -3.46 0.05 0.00 0.51 0.00 0.00 43.02 40.12 1aig s PHE 140 CO 0.00 -1.95 0.79 -3.38 0.70 0.00 0.00 175.22 171.38 1aig s HIS 141 N -1.57 0.03 -0.31 0.36 -3.43 -1.26 -4.95 115.29 104.15 1aig s HIS 141 Ca 0.71 -0.63 -0.20 0.00 -0.80 0.00 0.00 55.06 54.15 1aig s HIS 141 Cb -0.30 0.79 -0.01 0.00 -1.43 0.00 0.00 32.58 31.64 1aig s HIS 141 CO 0.34 -1.43 0.61 0.08 -2.00 0.00 0.00 174.74 172.35 1aig s VAL 142 N -2.75 4.94 -0.09 -5.38 1.01 -1.26 -4.93 120.40 111.96 1aig s VAL 142 Ca 0.15 0.78 0.15 0.00 0.00 0.00 0.00 61.98 63.05 1aig s VAL 142 Cb -0.05 -4.00 -0.22 0.00 0.00 0.00 0.00 36.38 32.12 1aig s VAL 142 CO 0.10 -0.16 0.59 -1.54 0.00 0.00 0.00 175.10 174.09 1aig n SER 143 N 5.87 0.71 -3.61 3.32 3.41 -1.26 -5.02 113.62 117.05 1aig n SER 143 Ca -0.02 0.33 -0.13 0.00 -0.26 0.00 0.00 58.87 58.79 1aig n SER 143 Cb 0.49 0.20 -0.05 0.00 -0.26 0.00 0.00 64.21 64.59 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 -2.66 -1.19 0.04 7.33 0.00 -1.26 -5.15 121.76 118.86 1aig s ALA 144 Ca -0.05 0.43 0.00 0.00 0.00 0.00 0.00 51.96 52.34 1aig s ALA 144 Cb 0.08 0.42 0.00 0.00 0.00 0.00 0.00 23.12 23.62 1aig s ALA 144 CO 0.82 -0.51 0.00 0.41 0.00 0.00 0.00 175.76 176.48 1aig n GLY 145 N 0.35 -1.53 3.68 0.00 0.00 -1.26 -4.85 105.19 101.56 1aig n GLY 145 Ca -0.18 -1.49 -0.43 0.00 0.00 0.00 0.00 46.02 43.92 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 -1.42 4.32 -0.31 1.61 2.47 -1.26 -4.98 119.74 120.17 1aig s LYS 146 Ca 0.00 1.57 -0.29 0.00 -1.56 0.00 0.00 55.97 55.69 1aig s LYS 146 Cb 0.00 -3.62 -0.01 0.00 -1.46 0.00 0.00 37.83 32.74 1aig s LYS 146 CO 0.00 -0.51 1.54 1.21 0.16 0.00 0.00 175.35 177.74 1aig s ASN 147 N 1.49 6.32 0.50 1.43 3.84 -1.26 -4.91 114.94 122.35 1aig s ASN 147 Ca 0.52 1.25 0.32 0.00 0.21 0.00 0.00 52.86 55.16 1aig s ASN 147 Cb -0.21 -2.53 1.29 0.00 -0.55 0.00 0.00 41.25 39.24 1aig s ASN 147 CO 0.17 -1.37 1.93 1.55 -2.79 0.00 0.00 177.10 176.60 1aig h PRO 148 N 10.90 0.00 -6.51 0.43 0.13 -1.97 -3.45 132.00 131.52 1aig h PRO 148 Ca -0.31 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.29 1aig h PRO 148 Cb 1.13 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.29 1aig h PRO 148 CO 1.04 0.00 0.91 0.42 -0.23 0.00 0.00 178.00 180.14 1aig s ILE 149 N -3.60 2.96 0.00 -3.56 1.01 -1.26 -1.68 121.20 115.07 1aig s ILE 149 Ca 0.02 0.57 0.00 0.00 0.00 0.00 0.00 60.65 61.24 1aig s ILE 149 Cb 0.09 -3.37 0.00 0.00 0.01 0.00 0.00 42.46 39.19 1aig s ILE 149 CO 0.52 0.02 0.00 0.61 0.00 0.00 0.00 174.94 176.09 1aig n GLY 150 N 3.82 0.66 3.84 6.18 0.00 -0.08 -5.01 105.19 114.60 1aig n GLY 150 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 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 3.84 0.30 0.99 1.43 -0.68 -4.71 118.68 119.85 1aig s LEU 151 Ca 0.00 1.56 -0.29 0.00 -1.03 0.00 0.00 54.13 54.37 1aig s LEU 151 Cb 0.00 -4.44 -0.10 0.00 0.03 0.00 0.00 46.19 41.69 1aig s LEU 151 CO 0.00 -0.42 1.23 -2.16 0.23 0.00 0.00 176.35 175.23 1aig s PRO 152 N -3.52 4.46 -0.24 1.29 0.04 -1.26 -0.88 135.00 134.90 1aig s PRO 152 Ca 0.59 2.05 -0.06 0.00 0.04 0.00 0.00 61.00 63.63 1aig s PRO 152 Cb -0.10 -3.13 -0.01 0.00 0.04 0.00 0.00 34.50 31.30 1aig s PRO 152 CO 0.21 -0.05 0.02 0.08 0.04 0.00 0.00 177.00 177.30 1aig s VAL 153 N -1.02 3.81 -0.08 -0.36 1.01 -0.89 -1.24 120.40 121.63 1aig s VAL 153 Ca 0.48 -0.40 -0.01 0.00 0.00 0.00 0.00 61.98 62.06 1aig s VAL 153 Cb -0.37 -2.79 -0.03 0.00 0.00 0.00 0.00 36.38 33.20 1aig s VAL 153 CO 0.47 0.35 -0.04 -0.60 0.00 0.00 0.00 175.10 175.28 1aig s ARG 154 N 1.53 2.89 0.59 2.72 3.52 -0.82 -0.89 118.95 128.49 1aig s ARG 154 Ca 0.06 -0.48 -0.03 0.00 -0.13 0.00 0.00 55.73 55.14 1aig s ARG 154 Cb -0.15 -2.69 0.03 0.00 -1.56 0.00 0.00 34.95 30.57 1aig s ARG 154 CO 0.00 0.66 0.86 0.20 -0.81 0.00 0.00 175.30 176.21 1aig s GLY 155 N -0.79 1.68 0.19 8.12 0.00 -0.67 -0.73 107.32 115.11 1aig s GLY 155 Ca 0.12 -0.99 0.20 0.00 0.00 0.00 0.00 44.72 44.05 1aig s GLY 155 CO 0.02 -0.69 1.61 0.00 0.00 0.00 0.00 173.10 174.04 1aig n ASP 157 N -2.02 0.84 -3.45 0.00 5.75 -1.17 -1.07 116.55 115.43 1aig n ASP 157 Ca 0.02 -1.89 -0.25 0.00 -0.01 0.00 0.00 54.79 52.66 1aig n ASP 157 Cb 0.18 -0.09 0.04 0.00 -1.03 0.00 0.00 41.12 40.22 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 -0.09 -2.67 -4.34 -2.12 4.77 0.31 -4.91 117.00 107.95 1aig n LEU 158 Ca 0.08 -0.49 -0.25 0.00 -0.03 0.00 0.00 56.01 55.32 1aig n LEU 158 Cb 0.15 -2.76 -0.12 0.00 -2.33 0.00 0.00 43.42 38.36 1aig n LEU 158 CO 0.06 0.39 -0.52 -1.61 -1.33 0.00 0.00 177.39 174.38 1aig s GLU 159 N -6.15 1.28 -0.20 3.23 0.41 -1.24 -4.95 118.70 111.09 1aig s GLU 159 Ca 0.49 -1.33 -0.27 0.00 -0.41 0.00 0.00 54.97 53.45 1aig s GLU 159 Cb -0.23 -1.54 -0.01 0.00 -1.78 0.00 0.00 34.13 30.57 1aig s GLU 159 CO 0.60 0.34 0.91 0.42 -0.49 0.00 0.00 175.26 177.04 1aig s ILE 160 N -1.48 4.80 -1.71 -1.63 -1.09 -1.26 -1.67 121.20 117.16 1aig s ILE 160 Ca 0.13 1.78 0.20 0.00 -2.23 0.00 0.00 60.65 60.52 1aig s ILE 160 Cb -0.08 -4.20 -0.02 0.00 -1.58 0.00 0.00 42.46 36.57 1aig s ILE 160 CO 0.06 -0.06 0.96 0.00 -1.23 0.00 0.00 174.94 174.68 1aig n ALA 161 N 5.70 3.47 0.00 9.38 0.00 -0.06 -4.97 120.51 134.02 1aig n ALA 161 Ca 0.07 -0.59 0.00 0.00 0.00 0.00 0.00 53.44 52.92 1aig n ALA 161 Cb 0.48 -0.69 0.00 0.00 0.00 0.00 0.00 19.45 19.24 1aig n ALA 161 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1aig n GLY 162 N 1.31 -0.54 2.93 0.00 0.00 -1.07 -4.44 105.19 103.38 1aig n GLY 162 Ca 0.08 -0.79 -0.14 0.00 0.00 0.00 0.00 46.02 45.17 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 -0.86 0.10 -0.02 1.61 2.20 -0.61 -2.10 119.74 120.06 1aig s LYS 163 Ca 0.00 0.37 -0.30 0.00 -0.36 0.00 0.00 55.97 55.68 1aig s LYS 163 Cb 0.00 -0.17 -0.04 0.00 -1.51 0.00 0.00 37.83 36.11 1aig s LYS 163 CO 0.00 -0.16 1.24 0.08 -0.36 0.00 0.00 175.35 176.15 1aig s VAL 164 N 1.15 4.09 -0.43 4.02 1.01 -0.05 -0.30 120.40 129.88 1aig s VAL 164 Ca -0.09 1.45 0.04 0.00 0.00 0.00 0.00 61.98 63.37 1aig s VAL 164 Cb -0.11 -3.93 0.04 0.00 0.00 0.00 0.00 36.38 32.37 1aig s VAL 164 CO -0.06 0.02 0.67 1.33 0.00 0.00 0.00 175.10 177.06 1aig n VAL 165 N 4.48 0.12 0.00 2.92 0.24 -0.13 -0.90 118.33 125.05 1aig n VAL 165 Ca 0.11 -0.56 0.00 0.00 -2.04 0.00 0.00 64.34 61.85 1aig n VAL 165 Cb 0.46 1.01 0.00 0.00 -1.47 0.00 0.00 33.84 33.83 1aig n VAL 165 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1aig n ASP 166 N 0.16 0.00 -4.54 -1.34 2.03 -1.24 -4.89 116.55 106.72 1aig n ASP 166 Ca 0.02 0.00 -0.34 0.00 0.52 0.00 0.00 54.79 54.99 1aig n ASP 166 Cb 0.11 0.00 -0.11 0.00 -0.72 0.00 0.00 41.12 40.40 1aig n ASP 166 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1aig s ILE 167 N -2.00 4.15 -0.26 5.18 1.01 -1.26 -1.19 121.20 126.82 1aig s ILE 167 Ca 0.00 -0.27 -0.18 0.00 0.00 0.00 0.00 60.65 60.20 1aig s ILE 167 Cb 0.00 -2.83 -0.03 0.00 0.01 0.00 0.00 42.46 39.62 1aig s ILE 167 CO 0.00 0.49 0.53 0.26 0.00 0.00 0.00 174.94 176.22 1aig s TRP 168 N 0.31 3.27 -0.06 3.97 0.52 0.14 -1.70 118.94 125.38 1aig s TRP 168 Ca -0.02 0.65 -0.04 0.00 0.02 0.00 0.00 56.10 56.71 1aig s TRP 168 Cb -0.14 -2.74 -0.04 0.00 -1.15 0.00 0.00 33.47 29.40 1aig s TRP 168 CO 0.02 -0.30 0.14 0.08 0.02 0.00 0.00 176.95 176.91 1aig s VAL 169 N 2.34 5.29 -0.47 4.03 1.01 -0.41 -0.84 120.40 131.34 1aig s VAL 169 Ca 0.22 -0.03 -0.23 0.00 0.00 0.00 0.00 61.98 61.93 1aig s VAL 169 Cb -0.16 -3.37 0.03 0.00 0.00 0.00 0.00 36.38 32.88 1aig s VAL 169 CO 0.09 0.48 0.82 -0.62 0.00 0.00 0.00 175.10 175.88 1aig s ASP 170 N -1.42 6.41 0.06 3.32 -1.08 -0.21 -1.84 116.67 121.92 1aig s ASP 170 Ca 0.20 -0.14 -0.37 0.00 -0.52 0.00 0.00 52.55 51.71 1aig s ASP 170 Cb -0.12 -2.40 -0.20 0.00 -1.46 0.00 0.00 42.92 38.74 1aig s ASP 170 CO 0.10 -0.98 1.58 0.40 0.52 0.00 0.00 175.17 176.79 1aig h ILE 171 N 6.00 0.04 -0.89 4.11 5.03 -0.93 -1.15 117.51 129.71 1aig h ILE 171 Ca -0.25 0.00 -0.01 0.00 -0.12 0.00 0.00 64.86 64.48 1aig h ILE 171 Cb 1.08 0.04 -0.04 0.00 -3.03 0.00 0.00 36.82 34.87 1aig h ILE 171 CO 0.99 0.00 0.53 1.55 -0.68 0.00 0.00 178.15 180.54 1aig h PRO 172 N -1.27 1.21 -0.63 2.37 0.13 -1.92 -3.02 132.00 128.87 1aig h PRO 172 Ca -0.12 -0.11 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 1aig h PRO 172 Cb 0.99 -0.25 0.00 0.00 0.13 0.00 0.00 31.00 31.86 1aig h PRO 172 CO 0.18 0.85 0.00 0.39 -0.23 0.00 0.00 178.00 179.20 1aig n GLU 173 N -4.36 3.15 -3.76 0.86 1.02 -1.22 -4.98 120.64 111.35 1aig n GLU 173 Ca 0.10 -2.35 -0.20 0.00 -0.02 0.00 0.00 57.16 54.68 1aig n GLU 173 Cb 0.07 -1.74 -0.00 0.00 -0.02 0.00 0.00 31.44 29.74 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 0.97 -0.74 -3.92 3.49 6.02 -0.44 -4.94 117.38 117.82 1aig n GLN 174 Ca 0.21 -0.19 -0.10 0.00 -0.01 0.00 0.00 57.00 56.91 1aig n GLN 174 Cb 0.73 -0.87 -0.12 0.00 1.02 0.00 0.00 30.24 31.00 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 -5.87 0.26 -0.34 -1.09 0.23 -1.19 -4.97 119.30 106.33 1aig s MET 175 Ca 0.17 -0.34 -0.28 0.00 -1.03 0.00 0.00 55.69 54.21 1aig s MET 175 Cb -0.10 0.10 -0.03 0.00 -1.53 0.00 0.00 34.83 33.27 1aig s MET 175 CO 0.45 -0.05 1.98 0.00 -2.03 0.00 0.00 175.02 175.37 1aig s ALA 176 N -0.94 2.66 -0.22 3.16 0.00 -1.26 -1.04 121.76 124.11 1aig s ALA 176 Ca -0.10 0.31 -0.07 0.00 0.00 0.00 0.00 51.96 52.09 1aig s ALA 176 Cb -0.06 -4.09 -0.19 0.00 0.00 0.00 0.00 23.12 18.78 1aig s ALA 176 CO -0.00 -2.95 -0.03 0.54 0.00 0.00 0.00 175.76 173.32 1aig n ARG 177 N 8.64 0.66 -4.07 0.00 1.74 -0.02 -4.75 116.66 118.86 1aig n ARG 177 Ca 0.26 0.26 -0.11 0.00 -0.77 0.00 0.00 57.85 57.49 1aig n ARG 177 Cb 0.47 -1.60 -0.11 0.00 -1.02 0.00 0.00 32.46 30.21 1aig n ARG 177 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1aig s PHE 178 N -2.51 0.62 -0.13 -1.55 0.08 -0.70 -0.67 117.98 113.12 1aig s PHE 178 Ca -0.32 -0.66 -0.05 0.00 0.12 0.00 0.00 56.93 56.03 1aig s PHE 178 Cb 0.09 -0.39 -0.04 0.00 -0.57 0.00 0.00 43.02 42.12 1aig s PHE 178 CO 0.62 -0.15 0.04 -0.51 -0.10 0.00 0.00 175.22 175.13 1aig s LEU 179 N -2.02 3.78 -0.18 -0.37 1.43 -0.22 -0.68 118.68 120.42 1aig s LEU 179 Ca -0.05 0.16 -0.17 0.00 -1.03 0.00 0.00 54.13 53.04 1aig s LEU 179 Cb -0.05 -1.91 -0.04 0.00 0.03 0.00 0.00 46.19 44.22 1aig s LEU 179 CO -0.02 0.30 0.46 -0.70 0.23 0.00 0.00 176.35 176.62 1aig s GLU 180 N -0.38 4.22 -0.19 1.70 2.12 -0.34 -0.60 118.70 125.23 1aig s GLU 180 Ca 0.09 0.35 0.00 0.00 0.36 0.00 0.00 54.97 55.76 1aig s GLU 180 Cb -0.12 -3.52 0.05 0.00 0.26 0.00 0.00 34.13 30.80 1aig s GLU 180 CO 0.02 -0.03 -0.06 0.08 -0.54 0.00 0.00 175.26 174.73 1aig s VAL 181 N 1.25 1.32 0.18 3.70 1.01 -0.13 -0.96 120.40 126.77 1aig s VAL 181 Ca 0.23 -0.86 -0.30 0.00 0.00 0.00 0.00 61.98 61.05 1aig s VAL 181 Cb -0.15 -1.51 -0.08 0.00 0.00 0.00 0.00 36.38 34.65 1aig s VAL 181 CO 0.09 0.07 1.08 -0.70 0.00 0.00 0.00 175.10 175.64 1aig s GLU 182 N 1.53 4.62 0.56 2.72 2.12 0.59 -1.65 118.70 129.18 1aig s GLU 182 Ca -0.01 1.68 0.08 0.00 0.36 0.00 0.00 54.97 57.08 1aig s GLU 182 Cb -0.16 -3.28 0.07 0.00 0.26 0.00 0.00 34.13 31.01 1aig s GLU 182 CO -0.08 0.12 0.67 -0.51 -0.54 0.00 0.00 175.26 174.93 1aig s LEU 183 N -0.43 3.01 0.52 2.70 1.43 -0.19 -1.57 118.68 124.15 1aig s LEU 183 Ca 0.48 -0.95 0.41 0.00 -1.03 0.00 0.00 54.13 53.04 1aig s LEU 183 Cb -0.29 -1.54 1.59 0.00 0.03 0.00 0.00 46.19 45.99 1aig s LEU 183 CO 0.34 -1.25 1.65 0.11 0.23 0.00 0.00 176.35 177.43 1aig h LYS 184 N 0.36 0.03 -0.26 1.70 6.56 -1.89 -2.13 116.57 120.94 1aig h LYS 184 Ca -0.32 -0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.27 1aig h LYS 184 Cb 1.29 -0.01 0.00 0.00 -0.57 0.00 0.00 32.23 32.94 1aig h LYS 184 CO 0.46 0.02 0.00 -0.40 -2.06 0.00 0.00 179.45 177.47 1aig n ASP 185 N -4.22 3.27 0.00 0.86 5.68 -1.26 -4.99 116.55 115.89 1aig n ASP 185 Ca 0.37 -1.98 0.00 0.00 -0.50 0.00 0.00 54.79 52.69 1aig n ASP 185 Cb 1.64 -0.16 0.00 0.00 -1.14 0.00 0.00 41.12 41.46 1aig n ASP 185 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1aig n GLY 186 N 1.41 0.41 3.95 6.12 0.00 -0.80 -5.07 105.19 111.21 1aig n GLY 186 Ca 0.17 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.33 5.66 0.14 1.61 1.04 -1.26 -4.80 113.70 113.75 1aig s SER 187 Ca 0.00 0.32 0.06 0.00 0.48 0.00 0.00 55.95 56.81 1aig s SER 187 Cb 0.00 -1.43 -0.04 0.00 0.10 0.00 0.00 66.02 64.65 1aig s SER 187 CO 0.00 -0.88 0.01 -0.89 0.98 0.00 0.00 173.24 172.47 1aig s THR 188 N -2.69 3.91 0.04 2.02 2.01 -1.26 -1.02 115.64 118.64 1aig s THR 188 Ca 0.51 -1.20 -0.01 0.00 0.31 0.00 0.00 61.69 61.30 1aig s THR 188 Cb -0.10 -2.93 -0.03 0.00 0.01 0.00 0.00 72.50 69.46 1aig s THR 188 CO 0.40 -0.01 -0.01 -0.13 -0.69 0.00 0.00 174.62 174.17 1aig s ARG 189 N -2.68 0.48 -0.16 4.92 0.52 -0.66 -4.86 118.95 116.50 1aig s ARG 189 Ca 0.27 -0.89 -0.07 0.00 -0.52 0.00 0.00 55.73 54.52 1aig s ARG 189 Cb -0.10 0.17 -0.04 0.00 0.52 0.00 0.00 34.95 35.50 1aig s ARG 189 CO 0.19 -0.09 0.06 -0.51 0.02 0.00 0.00 175.30 174.97 1aig s LEU 190 N -2.18 3.84 -0.20 2.53 1.43 -1.26 -0.95 118.68 121.89 1aig s LEU 190 Ca -0.05 0.12 -0.05 0.00 -1.03 0.00 0.00 54.13 53.13 1aig s LEU 190 Cb -0.01 -1.95 -0.02 0.00 0.03 0.00 0.00 46.19 44.23 1aig s LEU 190 CO -0.05 0.22 -0.00 -0.76 0.23 0.00 0.00 176.35 175.98 1aig s LEU 191 N 0.09 3.26 -0.07 1.79 2.01 0.23 -4.94 118.68 121.05 1aig s LEU 191 Ca 0.05 -0.19 -0.38 0.00 0.01 0.00 0.00 54.13 53.62 1aig s LEU 191 Cb -0.12 -1.82 -0.16 0.00 0.01 0.00 0.00 46.19 44.09 1aig s LEU 191 CO 0.01 0.08 1.49 -2.65 1.01 0.00 0.00 176.35 176.29 1aig n PRO 192 N 4.16 1.09 0.25 1.29 -0.02 -1.26 -1.06 135.00 139.45 1aig n PRO 192 Ca -0.17 0.39 0.09 0.00 -2.02 0.00 0.00 63.50 61.79 1aig n PRO 192 Cb 0.52 -2.05 0.64 0.00 -0.02 0.00 0.00 33.50 32.60 1aig n PRO 192 CO 0.00 0.00 0.00 0.52 1.98 0.00 0.00 175.50 178.00 1aig h MET 193 N 5.54 0.00 -0.57 -0.52 2.86 -1.19 -1.55 114.93 119.49 1aig h MET 193 Ca -0.47 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.17 1aig h MET 193 Cb 1.33 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.99 1aig h MET 193 CO 0.85 0.08 0.00 0.00 1.06 0.00 0.00 176.91 178.89 1aig n GLN 194 N -4.27 1.94 0.00 1.72 0.00 -1.26 -3.23 117.38 112.28 1aig n GLN 194 Ca -0.03 -0.96 0.00 0.00 0.00 0.00 0.00 57.00 56.02 1aig n GLN 194 Cb 0.16 -1.49 0.00 0.00 0.00 0.00 0.00 30.24 28.91 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 0.21 0.14 -4.50 2.61 1.56 -0.59 -5.07 117.12 111.49 1aig n MET 195 Ca 0.09 -0.48 -0.25 0.00 -0.27 0.00 0.00 57.70 56.79 1aig n MET 195 Cb 0.39 -0.74 -0.10 0.00 2.15 0.00 0.00 33.22 34.92 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 -0.16 2.34 -0.25 1.12 -7.23 -1.20 -4.37 120.40 110.65 1aig s VAL 196 Ca 0.00 -2.31 0.01 0.00 -1.81 0.00 0.00 61.98 57.86 1aig s VAL 196 Cb 0.00 -2.44 0.07 0.00 0.56 0.00 0.00 36.38 34.57 1aig s VAL 196 CO 0.00 -0.32 -0.02 -0.75 -0.31 0.00 0.00 175.10 173.69 1aig s LYS 197 N -3.56 1.44 -0.47 4.82 2.47 -0.22 -4.98 119.74 119.24 1aig s LYS 197 Ca 0.31 -1.02 -0.26 0.00 -1.56 0.00 0.00 55.97 53.44 1aig s LYS 197 Cb -0.02 -2.54 0.03 0.00 -1.46 0.00 0.00 37.83 33.84 1aig s LYS 197 CO 0.15 -0.67 0.95 0.08 0.16 0.00 0.00 175.35 176.03 1aig s VAL 198 N 1.42 4.43 0.43 4.02 1.01 -1.26 -2.00 120.40 128.45 1aig s VAL 198 Ca -0.03 0.75 0.07 0.00 0.00 0.00 0.00 61.98 62.78 1aig s VAL 198 Cb -0.19 -4.46 -0.02 0.00 0.00 0.00 0.00 36.38 31.71 1aig s VAL 198 CO -0.08 -0.88 0.37 -1.10 0.00 0.00 0.00 175.10 173.41 1aig s GLN 199 N 3.86 2.47 0.61 2.72 -0.21 -0.69 -5.01 119.66 123.41 1aig s GLN 199 Ca 0.38 -1.61 0.37 0.00 0.02 0.00 0.00 55.36 54.52 1aig s GLN 199 Cb -0.10 -2.32 2.03 0.00 1.00 0.00 0.00 33.01 33.62 1aig s GLN 199 CO 0.26 -0.24 2.14 0.66 -2.12 0.00 0.00 175.29 175.99 1aig h SER 200 N 1.02 0.00 0.00 5.90 4.64 -2.01 -3.17 113.55 119.92 1aig h SER 200 Ca -0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 1aig h SER 200 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 1aig h SER 200 CO 0.58 0.00 0.00 -0.46 -0.87 0.00 0.00 176.83 176.08 1aig n ASN 201 N -2.89 0.00 -3.63 4.97 6.94 -1.26 -5.11 115.26 114.29 1aig n ASN 201 Ca -0.02 -1.00 -0.06 0.00 -0.02 0.00 0.00 54.58 53.47 1aig n ASN 201 Cb 0.14 0.00 -0.02 0.00 -2.36 0.00 0.00 39.78 37.55 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 0.00 1.06 -0.14 -3.83 3.52 -1.20 -4.47 118.95 113.89 1aig s ARG 202 Ca 0.00 -0.50 -0.00 0.00 -0.13 0.00 0.00 55.73 55.09 1aig s ARG 202 Cb 0.00 0.42 0.03 0.00 -1.56 0.00 0.00 34.95 33.84 1aig s ARG 202 CO 0.00 -0.48 -0.09 0.54 -0.81 0.00 0.00 175.30 174.47 1aig s VAL 203 N -3.27 1.22 -0.19 7.11 0.11 -0.37 -1.70 120.40 123.31 1aig s VAL 203 Ca 0.08 -0.53 -0.11 0.00 -2.93 0.00 0.00 61.98 58.49 1aig s VAL 203 Cb -0.01 -1.27 -0.05 0.00 -1.53 0.00 0.00 36.38 33.52 1aig s VAL 203 CO -0.04 0.30 0.20 -2.28 -3.33 0.00 0.00 175.10 169.95 1aig s HIS 204 N 1.61 3.41 -0.39 1.54 2.46 -0.85 -1.95 115.29 121.12 1aig s HIS 204 Ca 0.03 0.40 -0.15 0.00 0.47 0.00 0.00 55.06 55.82 1aig s HIS 204 Cb -0.14 -2.25 0.01 0.00 -0.13 0.00 0.00 32.58 30.08 1aig s HIS 204 CO -0.09 0.22 0.29 0.08 -2.47 0.00 0.00 174.74 172.78 1aig s VAL 205 N 0.55 5.26 0.03 0.89 1.01 0.09 -1.05 120.40 127.18 1aig s VAL 205 Ca 0.11 -0.54 -0.18 0.00 0.00 0.00 0.00 61.98 61.38 1aig s VAL 205 Cb -0.12 -3.89 -0.22 0.00 0.00 0.00 0.00 36.38 32.15 1aig s VAL 205 CO 0.01 -0.24 1.15 -1.13 0.00 0.00 0.00 175.10 174.89 1aig h ASN 206 N 8.60 0.66 -0.78 3.32 -0.73 -1.85 -3.23 115.58 121.57 1aig h ASN 206 Ca -0.28 -0.73 0.17 0.00 1.87 0.00 0.00 56.30 57.33 1aig h ASN 206 Cb 1.13 -0.20 -0.14 0.00 0.27 0.00 0.00 38.32 39.37 1aig h ASN 206 CO 0.71 1.30 -0.09 0.00 -0.37 0.00 0.00 177.43 178.98 1aig h ALA 207 N 0.37 0.68 -3.85 1.57 0.00 -1.85 -3.39 119.26 112.79 1aig h ALA 207 Ca -0.08 0.28 -0.68 0.00 0.00 0.00 0.00 54.91 54.43 1aig h ALA 207 Cb 1.39 0.52 -0.20 0.00 0.00 0.00 0.00 17.79 19.50 1aig h ALA 207 CO 0.14 -0.43 -0.76 -0.51 0.00 0.00 0.00 179.25 177.69 1aig s LEU 208 N -10.92 2.83 0.42 0.00 1.02 -1.26 -3.73 118.68 107.04 1aig s LEU 208 Ca -0.14 -0.29 -0.12 0.00 0.02 0.00 0.00 54.13 53.60 1aig s LEU 208 Cb 0.23 -1.64 -0.07 0.00 0.02 0.00 0.00 46.19 44.73 1aig s LEU 208 CO 0.76 0.28 0.81 -0.94 0.02 0.00 0.00 176.35 177.27 1aig s SER 209 N -1.33 6.58 0.32 2.29 1.04 -1.26 -1.94 113.70 119.39 1aig s SER 209 Ca 0.15 1.24 0.08 0.00 0.48 0.00 0.00 55.95 57.91 1aig s SER 209 Cb -0.11 -2.37 0.91 0.00 0.10 0.00 0.00 66.02 64.55 1aig s SER 209 CO 0.05 -0.41 1.64 0.77 0.98 0.00 0.00 173.24 176.27 1aig h SER 210 N 1.32 0.16 0.27 7.02 4.64 -1.86 -1.45 113.55 123.65 1aig h SER 210 Ca -0.47 0.21 -0.03 0.00 -0.47 0.00 0.00 61.79 61.03 1aig h SER 210 Cb 1.19 0.25 -0.00 0.00 -0.31 0.00 0.00 62.40 63.52 1aig h SER 210 CO 0.63 -0.20 -0.15 -2.24 -0.87 0.00 0.00 176.83 174.01 1aig h ASP 211 N 0.21 0.00 0.76 4.97 2.03 -1.96 -2.38 116.42 120.05 1aig h ASP 211 Ca 0.65 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.95 1aig h ASP 211 Cb 1.43 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.93 1aig h ASP 211 CO -0.68 0.15 -0.17 0.18 -1.03 0.00 0.00 179.24 177.69 1aig n LEU 212 N -3.94 0.21 -0.05 0.15 4.32 -0.55 -4.12 117.00 113.02 1aig n LEU 212 Ca -0.02 0.28 -0.08 0.00 -0.02 0.00 0.00 56.01 56.17 1aig n LEU 212 Cb 0.24 -0.38 0.08 0.00 -1.62 0.00 0.00 43.42 41.73 1aig n LEU 212 CO 0.33 0.05 0.63 -0.26 -1.22 0.00 0.00 177.39 176.91 1aig h PHE 213 N 0.06 0.82 0.00 -1.77 -1.00 -1.46 -2.89 116.94 110.70 1aig h PHE 213 Ca 0.00 -0.22 -0.02 0.00 2.81 0.00 0.00 57.97 60.54 1aig h PHE 213 Cb 0.48 -0.18 -0.00 0.00 3.61 0.00 0.00 35.95 39.85 1aig h PHE 213 CO 0.00 0.94 -0.09 0.00 -1.61 0.00 0.00 178.31 177.55 1aig h ALA 214 N 1.04 1.37 -0.01 2.45 0.00 -1.76 -2.48 119.26 119.86 1aig h ALA 214 Ca 0.06 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1aig h ALA 214 Cb 0.86 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1aig h ALA 214 CO 0.07 0.12 -0.01 0.41 0.00 0.00 0.00 179.25 179.84 1aig n GLY 215 N -0.86 -0.27 3.68 0.00 0.00 -1.09 -4.85 105.19 101.79 1aig n GLY 215 Ca -0.02 -0.38 -0.42 0.00 0.00 0.00 0.00 46.02 45.20 1aig n GLY 215 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1aig s ILE 216 N -2.02 3.00 0.37 -0.61 1.01 -0.94 -4.91 121.20 117.11 1aig s ILE 216 Ca 0.40 0.31 -0.24 0.00 0.00 0.00 0.00 60.65 61.12 1aig s ILE 216 Cb 0.21 -3.20 -0.14 0.00 0.01 0.00 0.00 42.46 39.34 1aig s ILE 216 CO 0.35 -0.01 0.53 -2.65 0.00 0.00 0.00 174.94 173.16 1aig n PRO 217 N 6.33 0.51 -3.99 2.79 -0.02 -1.26 -4.98 135.00 134.37 1aig n PRO 217 Ca 0.17 0.18 -0.21 0.00 -2.02 0.00 0.00 63.50 61.63 1aig n PRO 217 Cb 0.40 -1.41 -0.03 0.00 -0.02 0.00 0.00 33.50 32.45 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 -1.39 4.96 -0.03 3.45 -4.23 -1.26 -4.77 115.64 112.38 1aig s THR 218 Ca 0.62 -1.12 -0.27 0.00 -1.18 0.00 0.00 61.69 59.74 1aig s THR 218 Cb -0.66 -3.70 -0.03 0.00 1.34 0.00 0.00 72.50 69.44 1aig s THR 218 CO 0.59 -0.33 0.87 -0.63 -0.54 0.00 0.00 174.62 174.58 1aig s ILE 219 N -2.04 4.94 0.11 2.99 1.09 -1.26 -4.96 121.20 122.07 1aig s ILE 219 Ca 0.34 1.82 -0.09 0.00 -1.10 0.00 0.00 60.65 61.63 1aig s ILE 219 Cb -0.09 -4.21 -0.18 0.00 -1.06 0.00 0.00 42.46 36.92 1aig s ILE 219 CO 0.28 0.19 1.28 0.07 -0.10 0.00 0.00 174.94 176.67 1aig h LYS 220 N 6.79 0.58 -6.12 2.79 -0.00 -2.00 -3.43 116.57 115.19 1aig h LYS 220 Ca -0.41 -0.57 -0.64 0.00 -0.00 0.00 0.00 60.65 59.02 1aig h LYS 220 Cb 1.21 0.15 -0.30 0.00 -0.00 0.00 0.00 32.23 33.29 1aig h LYS 220 CO 0.75 1.19 -0.87 -1.54 -0.00 0.00 0.00 179.45 178.99 1aig s SER 221 N -7.14 2.70 0.00 7.07 1.04 -1.26 -5.07 113.70 111.04 1aig s SER 221 Ca -0.08 -0.43 0.19 0.00 0.48 0.00 0.00 55.95 56.12 1aig s SER 221 Cb 0.08 -0.43 1.14 0.00 0.10 0.00 0.00 66.02 66.91 1aig s SER 221 CO 0.89 0.26 1.60 -0.81 0.98 0.00 0.00 173.24 176.16 1aig n PRO 222 N 2.67 0.77 -0.07 4.02 -0.04 -1.26 -3.58 135.00 137.51 1aig n PRO 222 Ca -0.16 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.33 1aig n PRO 222 Cb 0.52 -1.39 0.04 0.00 -0.04 0.00 0.00 33.50 32.64 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 -0.89 1.03 -3.63 0.52 -2.24 -1.26 -4.92 114.28 102.89 1aig n THR 223 Ca 0.14 -1.15 -0.16 0.00 -2.27 0.00 0.00 64.05 60.62 1aig n THR 223 Cb 0.07 0.35 -0.07 0.00 -2.10 0.00 0.00 70.33 68.57 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 -1.33 0.85 -0.10 -0.78 -1.05 -1.23 -4.54 118.70 110.50 1aig s GLU 224 Ca 0.10 0.19 -0.00 0.00 -0.15 0.00 0.00 54.97 55.11 1aig s GLU 224 Cb 0.08 0.40 -0.02 0.00 -0.44 0.00 0.00 34.13 34.15 1aig s GLU 224 CO 0.01 -0.23 -0.08 0.14 0.95 0.00 0.00 175.26 176.04 1aig s VAL 225 N -0.98 3.52 0.53 1.83 -7.23 -1.26 -4.59 120.40 112.22 1aig s VAL 225 Ca -0.10 -0.52 -0.17 0.00 -1.81 0.00 0.00 61.98 59.38 1aig s VAL 225 Cb -0.03 -2.47 -0.07 0.00 0.56 0.00 0.00 36.38 34.37 1aig s VAL 225 CO 0.06 0.55 1.00 -0.89 -0.31 0.00 0.00 175.10 175.51 1aig s THR 226 N -0.20 4.38 0.27 5.32 2.01 -1.26 -3.93 115.64 122.23 1aig s THR 226 Ca 0.02 1.16 0.00 0.00 0.31 0.00 0.00 61.69 63.18 1aig s THR 226 Cb -0.13 -3.65 0.08 0.00 0.01 0.00 0.00 72.50 68.81 1aig s THR 226 CO 0.03 -0.63 1.73 -0.07 -0.69 0.00 0.00 174.62 174.98 1aig h LEU 227 N 0.88 0.61 -0.03 4.42 -0.00 -1.37 0.16 115.31 119.98 1aig h LEU 227 Ca -0.47 -0.18 -0.00 0.00 -0.00 0.00 0.00 57.88 57.23 1aig h LEU 227 Cb 1.19 -0.16 -0.00 0.00 -0.00 0.00 0.00 40.66 41.69 1aig h LEU 227 CO 0.61 0.79 0.01 0.25 -0.00 0.00 0.00 178.44 180.10 1aig h LEU 228 N 0.55 0.03 -0.87 1.67 5.85 -1.59 -1.18 115.31 119.77 1aig h LEU 228 Ca 0.09 -0.09 0.07 0.00 0.84 0.00 0.00 57.88 58.80 1aig h LEU 228 Cb 0.60 -0.01 -0.07 0.00 0.37 0.00 0.00 40.66 41.55 1aig h LEU 228 CO 0.04 0.11 0.54 -0.33 -0.34 0.00 0.00 178.44 178.46 1aig h GLU 229 N -0.04 0.92 -0.76 1.25 5.08 -1.83 0.13 114.58 119.34 1aig h GLU 229 Ca 0.01 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.27 1aig h GLU 229 Cb 0.08 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 29.09 1aig h GLU 229 CO -0.00 0.61 0.30 0.93 -1.00 0.00 0.00 179.01 179.84 1aig h GLU 230 N 0.95 1.13 -0.25 2.33 5.08 -0.83 -1.10 114.58 121.89 1aig h GLU 230 Ca 0.39 -0.20 -0.19 0.00 -1.00 0.00 0.00 59.36 58.36 1aig h GLU 230 Cb 0.24 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.31 1aig h GLU 230 CO -0.20 0.92 -0.60 0.22 -1.00 0.00 0.00 179.01 178.35 1aig h ASP 231 N 1.10 0.93 -0.57 1.42 3.58 0.12 -1.49 116.42 121.51 1aig h ASP 231 Ca 0.25 -0.52 -0.03 0.00 0.42 0.00 0.00 57.03 57.15 1aig h ASP 231 Cb 0.22 -0.27 -0.03 0.00 1.72 0.00 0.00 39.33 40.97 1aig h ASP 231 CO -0.02 1.32 0.24 0.11 -2.88 0.00 0.00 179.24 178.00 1aig h LYS 232 N 0.62 0.88 0.09 0.28 1.57 -0.85 -1.98 116.57 117.19 1aig h LYS 232 Ca -0.00 -0.14 -0.00 0.00 -1.87 0.00 0.00 60.65 58.64 1aig h LYS 232 Cb 1.21 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 33.36 1aig h LYS 232 CO 0.13 0.73 -0.04 0.82 -0.57 0.00 0.00 179.45 180.51 1aig h ILE 233 N 0.87 1.12 -0.36 1.86 2.04 -1.07 -2.67 117.51 119.29 1aig h ILE 233 Ca 0.21 -1.31 -0.01 0.00 1.00 0.00 0.00 64.86 64.75 1aig h ILE 233 Cb 0.17 1.89 -0.02 0.00 -0.74 0.00 0.00 36.82 38.13 1aig h ILE 233 CO -0.02 0.29 0.20 0.00 0.00 0.00 0.00 178.15 178.63 1aig h GLY 235 N 0.57 -0.05 0.57 0.00 0.00 -1.41 -2.49 103.07 100.25 1aig h GLY 235 Ca 0.13 0.02 0.03 0.00 0.00 0.00 0.00 47.33 47.51 1aig h GLY 235 CO -0.02 -0.02 -0.16 -1.82 0.00 0.00 0.00 176.54 174.52 1aig h TYR 236 N -0.34 -0.40 0.32 5.60 3.20 -1.15 -1.36 116.97 122.84 1aig h TYR 236 Ca -0.01 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.87 1aig h TYR 236 Cb 0.31 0.19 0.00 0.00 1.54 0.00 0.00 36.73 38.77 1aig h TYR 236 CO 0.02 -0.23 -0.17 0.28 -1.64 0.00 0.00 178.16 176.43 1aig h VAL 237 N -0.24 0.65 -0.16 1.81 2.07 -1.32 -2.76 116.25 116.30 1aig h VAL 237 Ca 0.07 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.54 1aig h VAL 237 Cb 0.33 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 30.74 1aig h VAL 237 CO -0.18 0.00 -0.09 0.00 0.02 0.00 0.00 177.57 177.32 1aig h ALA 238 N 0.23 1.55 -0.32 1.67 0.00 -1.48 -1.65 119.26 119.26 1aig h ALA 238 Ca -0.04 -0.18 0.09 0.00 0.00 0.00 0.00 54.91 54.78 1aig h ALA 238 Cb 0.36 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1aig h ALA 238 CO 0.06 0.33 0.23 0.78 0.00 0.00 0.00 179.25 180.64 1aig h GLY 239 N 0.68 0.02 1.93 0.00 0.00 -0.80 -0.87 103.07 104.02 1aig h GLY 239 Ca 0.05 -0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.38 1aig h GLY 239 CO 0.02 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.17 1aig n GLY 240 N -1.60 -0.96 0.14 4.60 0.00 -0.62 -1.31 105.19 105.44 1aig n GLY 240 Ca 0.05 -0.05 -0.01 0.00 0.00 0.00 0.00 46.02 46.00 1aig n GLY 240 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1aig h LEU 241 N 0.00 0.00 0.00 0.99 3.38 -1.23 -1.44 115.31 117.00 1aig h LEU 241 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1aig h LEU 241 Cb 0.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1aig h LEU 241 CO 0.00 0.59 -0.55 0.80 0.09 0.00 0.00 178.44 179.37 1aig n MET 242 N -3.83 0.41 0.21 1.13 1.56 -1.05 -4.44 117.12 111.11 1aig n MET 242 Ca -0.01 0.42 0.15 0.00 -0.27 0.00 0.00 57.70 57.98 1aig n MET 242 Cb 0.59 -1.52 0.56 0.00 2.15 0.00 0.00 33.22 35.01 1aig n MET 242 CO 0.00 0.00 0.00 1.88 -0.73 0.00 0.00 175.97 177.12 1aig h TYR 243 N -0.88 0.00 -0.74 1.12 0.05 -1.32 -2.75 116.97 112.45 1aig h TYR 243 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1aig h TYR 243 Cb 0.55 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.29 1aig h TYR 243 CO -0.24 0.00 0.00 0.00 -1.05 0.00 0.00 178.16 176.87 1aig n ALA 244 N -1.94 2.38 0.23 3.88 0.00 -0.54 -4.63 120.51 119.88 1aig n ALA 244 Ca 0.02 -1.30 0.06 0.00 0.00 0.00 0.00 53.44 52.21 1aig n ALA 244 Cb 0.29 -0.94 0.52 0.00 0.00 0.00 0.00 19.45 19.33 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 4.37 1.74 -0.47 0.00 0.00 -1.61 -1.23 119.26 122.06 1aig h ALA 245 Ca 0.00 -0.14 0.09 0.00 0.00 0.00 0.00 54.91 54.86 1aig h ALA 245 Cb 1.00 -0.03 -0.08 0.00 0.00 0.00 0.00 17.79 18.68 1aig h ALA 245 CO 0.00 0.19 -0.00 -1.35 0.00 0.00 0.00 179.25 178.09 1aig h PRO 246 N 0.01 0.11 -0.01 0.00 0.11 -1.84 -2.94 132.00 127.44 1aig h PRO 246 Ca 0.00 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.10 1aig h PRO 246 Cb 0.27 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.35 1aig h PRO 246 CO 0.02 0.07 0.00 1.63 -0.21 0.00 0.00 178.00 179.51 1aig n LYS 247 N -5.22 1.09 -2.98 1.05 5.02 -0.54 -4.76 118.16 111.82 1aig n LYS 247 Ca 0.05 -0.13 -0.43 0.00 -2.02 0.00 0.00 58.31 55.77 1aig n LYS 247 Cb 0.25 -1.44 -0.06 0.00 -0.02 0.00 0.00 35.03 33.76 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 -1.99 3.40 0.41 1.97 3.52 -0.78 -3.03 118.95 122.46 1aig s ARG 248 Ca 0.42 -0.13 -0.23 0.00 -0.13 0.00 0.00 55.73 55.65 1aig s ARG 248 Cb 0.19 -3.94 -0.09 0.00 -1.56 0.00 0.00 34.95 29.56 1aig s ARG 248 CO 0.32 -1.10 1.02 0.15 -0.81 0.00 0.00 175.30 174.89 1aig s LYS 249 N 3.22 4.14 0.90 5.12 1.02 -0.24 -4.97 119.74 128.94 1aig s LYS 249 Ca 0.29 1.41 -0.13 0.00 0.02 0.00 0.00 55.97 57.56 1aig s LYS 249 Cb -0.12 -2.43 0.05 0.00 -0.52 0.00 0.00 37.83 34.80 1aig s LYS 249 CO 0.22 -0.14 0.63 -1.13 -0.92 0.00 0.00 175.35 174.01 1aig n SER 250 N -0.26 -1.25 0.27 2.83 3.41 -1.26 -4.69 113.62 112.66 1aig n SER 250 Ca 0.06 0.40 0.18 0.00 -0.26 0.00 0.00 58.87 59.25 1aig n SER 250 Cb 0.51 -1.29 0.86 0.00 -0.26 0.00 0.00 64.21 64.04 1aig n SER 250 CO 0.00 0.00 0.00 -0.37 -0.16 0.00 0.00 175.04 174.51 1aig h VAL 251 N -1.41 0.00 0.25 -3.33 -1.51 -1.98 0.12 116.25 108.39 1aig h VAL 251 Ca -0.44 -0.19 -0.01 0.00 -1.23 0.00 0.00 66.70 64.83 1aig h VAL 251 Cb 1.29 1.07 0.00 0.00 -2.13 0.00 0.00 31.29 31.53 1aig h VAL 251 CO 0.38 0.00 -0.12 0.58 -1.23 0.00 0.00 177.57 177.17 1aig h VAL 252 N 0.00 0.00 -0.89 7.19 2.07 -1.99 -3.00 116.25 119.64 1aig h VAL 252 Ca 0.00 -0.51 0.18 0.00 0.82 0.00 0.00 66.70 67.19 1aig h VAL 252 Cb 0.21 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 29.91 1aig h VAL 252 CO 0.00 0.00 0.58 0.00 0.02 0.00 0.00 177.57 178.17 1aig h ALA 253 N -1.33 2.04 -0.25 1.67 0.00 -1.73 0.12 119.26 119.78 1aig h ALA 253 Ca -0.03 0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.72 1aig h ALA 253 Cb 0.26 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 1aig h ALA 253 CO 0.06 -0.31 -0.55 0.00 0.00 0.00 0.00 179.25 178.44 1aig h ALA 254 N 1.61 0.54 0.00 0.00 0.00 -0.91 -2.08 119.26 118.42 1aig h ALA 254 Ca 0.46 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1aig h ALA 254 Cb 0.98 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1aig h ALA 254 CO -0.19 0.68 -0.43 0.00 0.00 0.00 0.00 179.25 179.31 1aig n MET 255 N -3.99 0.13 0.00 0.00 0.00 -0.55 -2.97 117.12 109.74 1aig n MET 255 Ca -0.04 0.05 0.15 0.00 0.00 0.00 0.00 57.70 57.86 1aig n MET 255 Cb 0.63 -1.59 0.69 0.00 0.00 0.00 0.00 33.22 32.94 1aig n MET 255 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 175.97 175.86 1aig n LEU 256 N -1.79 0.66 0.00 3.17 7.94 0.31 -4.01 117.00 123.29 1aig n LEU 256 Ca 0.05 -0.16 0.09 0.00 -1.11 0.00 0.00 56.01 54.87 1aig n LEU 256 Cb 0.38 -0.06 0.51 0.00 0.53 0.00 0.00 43.42 44.78 1aig n LEU 256 CO 0.34 0.11 0.71 0.00 -1.11 0.00 0.00 177.39 177.45 1aig n ALA 257 N -0.60 2.14 0.89 1.96 0.00 -0.81 -5.02 120.51 119.07 1aig n ALA 257 Ca 0.19 -0.11 0.11 0.00 0.00 0.00 0.00 53.44 53.63 1aig n ALA 257 Cb 0.25 -1.28 0.09 0.00 0.00 0.00 0.00 19.45 18.51 1aig n ALA 257 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89