#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2uxl h LEU 12 N 0.00 0.63 -0.11 -2.12 5.85 -2.05 -1.94 115.31 115.56 2uxl h LEU 12 Ca 0.00 -0.13 -0.02 0.00 0.84 0.00 0.00 57.88 58.57 2uxl h LEU 12 Cb 0.00 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 40.86 2uxl h LEU 12 CO 0.00 0.69 0.01 0.00 -0.34 0.00 0.00 178.44 178.80 2uxl h ALA 13 N 1.38 0.15 -0.50 1.25 0.00 -2.06 -0.81 119.26 118.67 2uxl h ALA 13 Ca 0.13 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2uxl h ALA 13 Cb 0.38 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 2uxl h ALA 13 CO 0.01 -0.18 0.26 0.77 0.00 0.00 0.00 179.25 180.11 2uxl h SER 14 N -0.05 0.62 -0.36 0.00 0.02 -1.96 -1.86 113.55 109.94 2uxl h SER 14 Ca 0.03 -0.05 -0.09 0.00 -0.84 0.00 0.00 61.79 60.85 2uxl h SER 14 Cb 0.32 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.69 2uxl h SER 14 CO 0.00 0.51 -0.13 0.25 -1.14 0.00 0.00 176.83 176.33 2uxl h LEU 15 N 0.70 0.74 -0.12 5.07 5.85 -1.14 -2.85 115.31 123.56 2uxl h LEU 15 Ca 0.18 -0.38 -0.00 0.00 0.84 0.00 0.00 57.88 58.51 2uxl h LEU 15 Cb 0.05 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 40.87 2uxl h LEU 15 CO -0.03 0.96 0.07 0.00 -0.34 0.00 0.00 178.44 179.10 2uxl h ALA 16 N 0.81 0.15 -0.29 1.25 0.00 -0.80 -1.85 119.26 118.54 2uxl h ALA 16 Ca 0.09 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 2uxl h ALA 16 Cb 0.65 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 2uxl h ALA 16 CO 0.04 -0.33 0.00 0.97 0.00 0.00 0.00 179.25 179.94 2uxl h ILE 17 N 0.11 1.17 -0.04 0.00 6.09 -1.36 -0.94 117.51 122.54 2uxl h ILE 17 Ca 0.04 -0.68 -0.24 0.00 -1.37 0.00 0.00 64.86 62.61 2uxl h ILE 17 Cb 0.05 0.96 0.01 0.00 0.47 0.00 0.00 36.82 38.31 2uxl h ILE 17 CO -0.01 0.23 -0.93 0.22 -3.07 0.00 0.00 178.15 174.59 2uxl h TYR 18 N 0.42 0.92 0.44 2.19 3.20 -1.42 -2.83 116.97 119.89 2uxl h TYR 18 Ca 0.09 -0.47 -0.01 0.00 3.14 0.00 0.00 58.73 61.48 2uxl h TYR 18 Cb 0.28 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.42 2uxl h TYR 18 CO 0.01 1.30 -0.34 0.77 -1.64 0.00 0.00 178.16 178.25 2uxl h SER 19 N 0.39 -0.90 -0.71 -2.11 0.02 -1.09 -2.59 113.55 106.55 2uxl h SER 19 Ca -0.09 0.07 0.16 0.00 -0.84 0.00 0.00 61.79 61.08 2uxl h SER 19 Cb 1.57 0.29 -0.12 0.00 0.14 0.00 0.00 62.40 64.28 2uxl h SER 19 CO 0.18 -0.51 0.08 0.15 -1.14 0.00 0.00 176.83 175.59 2uxl h PHE 20 N -0.78 0.09 -0.96 3.45 3.57 -1.23 -0.87 116.94 120.21 2uxl h PHE 20 Ca -0.04 0.05 0.08 0.00 3.53 0.00 0.00 57.97 61.58 2uxl h PHE 20 Cb 0.67 0.07 -0.07 0.00 2.79 0.00 0.00 35.95 39.41 2uxl h PHE 20 CO -0.16 -0.16 0.60 -1.49 -2.23 0.00 0.00 178.31 174.88 2uxl h TRP 21 N 0.17 1.11 -0.52 0.41 4.06 -1.34 0.66 115.95 120.50 2uxl h TRP 21 Ca 0.39 0.03 -0.05 0.00 2.06 0.00 0.00 58.89 61.32 2uxl h TRP 21 Cb 0.67 -0.36 -0.02 0.00 -1.00 0.00 0.00 29.16 28.45 2uxl h TRP 21 CO -0.34 0.54 0.13 0.82 -3.56 0.00 0.00 178.44 176.04 2uxl h ILE 22 N 1.06 1.24 -0.89 1.49 2.04 -0.84 -1.38 117.51 120.24 2uxl h ILE 22 Ca 0.43 -0.85 0.04 0.00 1.00 0.00 0.00 64.86 65.48 2uxl h ILE 22 Cb 0.24 0.79 -0.05 0.00 -0.74 0.00 0.00 36.82 37.07 2uxl h ILE 22 CO -0.20 0.31 0.58 0.15 0.00 0.00 0.00 178.15 179.00 2uxl h PHE 23 N 0.73 1.07 -0.44 1.37 3.57 -0.45 -2.40 116.94 120.39 2uxl h PHE 23 Ca 0.17 0.03 -0.11 0.00 3.53 0.00 0.00 57.97 61.59 2uxl h PHE 23 Cb 0.33 -0.36 -0.01 0.00 2.79 0.00 0.00 35.95 38.70 2uxl h PHE 23 CO 0.02 0.62 -0.14 1.25 -2.23 0.00 0.00 178.31 177.83 2uxl h LEU 24 N 1.11 0.89 -0.72 0.59 5.85 -0.33 -0.47 115.31 122.23 2uxl h LEU 24 Ca 0.36 -0.38 0.05 0.00 0.84 0.00 0.00 57.88 58.75 2uxl h LEU 24 Cb 0.03 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 40.77 2uxl h LEU 24 CO -0.11 1.06 0.43 0.00 -0.34 0.00 0.00 178.44 179.48 2uxl h ALA 25 N 0.85 0.96 -0.37 1.25 0.00 -0.96 -2.15 119.26 118.84 2uxl h ALA 25 Ca 0.11 -0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.87 2uxl h ALA 25 Cb 0.69 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 2uxl h ALA 25 CO 0.05 0.15 -0.35 0.78 0.00 0.00 0.00 179.25 179.88 2uxl h GLY 26 N 0.80 0.95 0.84 0.00 0.00 -1.18 -1.97 103.07 102.51 2uxl h GLY 26 Ca 0.31 -0.94 -0.03 0.00 0.00 0.00 0.00 47.33 46.68 2uxl h GLY 26 CO -0.16 0.85 0.03 -2.00 0.00 0.00 0.00 176.54 175.26 2uxl h LEU 27 N 0.72 0.35 -0.62 3.11 5.85 -0.96 -1.19 115.31 122.57 2uxl h LEU 27 Ca 0.07 -0.27 0.05 0.00 0.84 0.00 0.00 57.88 58.57 2uxl h LEU 27 Cb 0.93 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.82 2uxl h LEU 27 CO 0.09 0.52 0.35 0.40 -0.34 0.00 0.00 178.44 179.46 2uxl h ILE 28 N 0.15 0.99 -0.26 4.05 2.04 -1.36 0.28 117.51 123.42 2uxl h ILE 28 Ca 0.06 -0.23 0.05 0.00 1.00 0.00 0.00 64.86 65.75 2uxl h ILE 28 Cb 0.33 0.27 -0.08 0.00 -0.74 0.00 0.00 36.82 36.60 2uxl h ILE 28 CO 0.01 0.12 -0.47 0.22 0.00 0.00 0.00 178.15 178.02 2uxl h TYR 29 N 0.66 -1.39 0.20 1.37 3.20 -1.12 0.32 116.97 120.21 2uxl h TYR 29 Ca 0.27 0.06 0.01 0.00 3.14 0.00 0.00 58.73 62.21 2uxl h TYR 29 Cb 0.13 0.64 -0.03 0.00 1.54 0.00 0.00 36.73 39.01 2uxl h TYR 29 CO -0.08 -0.49 -0.34 -0.92 -1.64 0.00 0.00 178.16 174.69 2uxl h TYR 30 N -0.45 -0.94 -0.59 -3.82 3.20 -0.72 -2.08 116.97 111.56 2uxl h TYR 30 Ca 0.09 0.02 0.12 0.00 3.14 0.00 0.00 58.73 62.09 2uxl h TYR 30 Cb 0.62 0.39 -0.12 0.00 1.54 0.00 0.00 36.73 39.17 2uxl h TYR 30 CO -0.59 -0.46 -0.20 -0.07 -1.64 0.00 0.00 178.16 175.20 2uxl h LEU 31 N -0.62 -0.71 -0.75 2.82 3.38 -0.17 0.22 115.31 119.47 2uxl h LEU 31 Ca 0.01 0.19 0.00 0.00 0.09 0.00 0.00 57.88 58.18 2uxl h LEU 31 Cb 0.62 0.43 -0.04 0.00 0.09 0.00 0.00 40.66 41.76 2uxl h LEU 31 CO -0.15 -0.23 0.49 -0.61 0.09 0.00 0.00 178.44 178.02 2uxl h GLN 32 N -0.05 1.00 -0.31 1.13 5.75 -0.20 -2.29 115.11 120.14 2uxl h GLN 32 Ca 0.28 -0.07 -0.07 0.00 -0.15 0.00 0.00 58.65 58.64 2uxl h GLN 32 Cb 0.48 -0.22 -0.01 0.00 1.07 0.00 0.00 27.48 28.80 2uxl h GLN 32 CO -0.64 0.67 -0.08 1.79 -2.65 0.00 0.00 178.83 177.92 2uxl h THR 33 N 1.02 1.28 -0.91 2.39 1.35 -0.73 -2.34 112.91 114.97 2uxl h THR 33 Ca 0.27 -1.13 0.22 0.00 -0.55 0.00 0.00 66.41 65.22 2uxl h THR 33 Cb -0.10 1.37 -0.06 0.00 -1.73 0.00 0.00 68.15 67.64 2uxl h THR 33 CO -0.06 0.37 0.62 -0.33 -0.25 0.00 0.00 175.52 175.86 2uxl h GLU 34 N 0.38 0.29 -0.19 4.72 4.39 -0.75 0.89 114.58 124.31 2uxl h GLU 34 Ca 0.08 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.76 2uxl h GLU 34 Cb 0.58 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.16 2uxl h GLU 34 CO 0.03 0.19 0.00 0.09 -1.16 0.00 0.00 179.01 178.16 2uxl n ASN 35 N -4.46 1.39 -1.13 1.42 3.02 -0.88 -3.25 115.26 111.38 2uxl n ASN 35 Ca 0.20 -1.78 0.08 0.00 -0.03 0.00 0.00 54.58 53.05 2uxl n ASN 35 Cb 0.79 -0.12 0.29 0.00 -0.61 0.00 0.00 39.78 40.12 2uxl n ASN 35 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 2uxl n MET 36 N 0.18 3.40 0.06 3.52 2.81 0.31 -4.51 117.12 122.89 2uxl n MET 36 Ca 0.13 -2.85 0.12 0.00 -1.81 0.00 0.00 57.70 53.30 2uxl n MET 36 Cb 0.26 -1.89 0.47 0.00 -0.71 0.00 0.00 33.22 31.35 2uxl n MET 36 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 2uxl n ARG 37 N -0.07 0.13 -4.21 0.03 1.74 -1.20 -4.40 116.66 108.69 2uxl n ARG 37 Ca 0.22 0.19 -0.17 0.00 -0.77 0.00 0.00 57.85 57.32 2uxl n ARG 37 Cb 0.92 -1.68 -0.11 0.00 -1.02 0.00 0.00 32.46 30.56 2uxl n ARG 37 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 2uxl s GLU 38 N -3.09 0.93 0.00 5.56 2.02 -1.26 -4.07 118.70 118.78 2uxl s GLU 38 Ca 0.10 -1.14 0.00 0.00 0.02 0.00 0.00 54.97 53.95 2uxl s GLU 38 Cb 0.13 -0.81 0.00 0.00 0.10 0.00 0.00 34.13 33.55 2uxl s GLU 38 CO 0.49 0.16 0.00 0.41 0.02 0.00 0.00 175.26 176.34 2uxl n GLY 39 N 0.76 2.87 3.69 -1.39 0.00 -1.26 -5.02 105.19 104.84 2uxl n GLY 39 Ca -0.17 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.57 2uxl n GLY 39 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2uxl s TYR 40 N -2.04 2.93 0.72 1.61 1.51 -1.26 -4.38 117.35 116.44 2uxl s TYR 40 Ca 0.00 -0.09 -0.13 0.00 -1.01 0.00 0.00 57.07 55.84 2uxl s TYR 40 Cb 0.00 -1.44 0.03 0.00 -0.11 0.00 0.00 41.96 40.45 2uxl s TYR 40 CO 0.00 0.51 1.11 -2.14 -1.11 0.00 0.00 175.55 173.92 2uxl s PRO 41 N -2.84 2.46 0.80 -1.71 0.02 -1.26 -4.80 135.00 127.68 2uxl s PRO 41 Ca 0.28 1.33 -0.13 0.00 0.02 0.00 0.00 61.00 62.50 2uxl s PRO 41 Cb -0.10 -1.91 0.08 0.00 0.02 0.00 0.00 34.50 32.59 2uxl s PRO 41 CO 0.19 -1.51 1.18 -0.51 -0.33 0.00 0.00 177.00 176.03 2uxl s LEU 42 N -5.38 3.13 0.09 -5.54 1.43 -1.26 -4.91 118.68 106.24 2uxl s LEU 42 Ca 0.65 2.28 0.04 0.00 -1.03 0.00 0.00 54.13 56.08 2uxl s LEU 42 Cb -0.20 -4.58 -0.03 0.00 0.03 0.00 0.00 46.19 41.41 2uxl s LEU 42 CO 0.48 -2.57 -0.11 -1.61 0.23 0.00 0.00 176.35 172.77 2uxl s GLU 43 N -4.22 0.84 0.86 1.70 2.02 -1.26 -1.01 118.70 117.63 2uxl s GLU 43 Ca 0.71 -1.08 -0.12 0.00 0.02 0.00 0.00 54.97 54.50 2uxl s GLU 43 Cb -0.27 -0.64 0.11 0.00 0.10 0.00 0.00 34.13 33.43 2uxl s GLU 43 CO 0.50 0.12 1.13 -0.80 0.02 0.00 0.00 175.26 176.23 2uxl s ASN 44 N -2.19 3.96 0.20 -0.19 0.01 0.43 -4.67 114.94 112.49 2uxl s ASN 44 Ca 0.03 1.05 0.12 0.00 -0.71 0.00 0.00 52.86 53.34 2uxl s ASN 44 Cb -0.06 -1.67 0.66 0.00 0.41 0.00 0.00 41.25 40.60 2uxl s ASN 44 CO 0.01 -2.28 1.34 -0.62 -1.51 0.00 0.00 177.10 174.04 2uxl n GLU 45 N -3.60 0.08 -0.05 -0.60 1.02 -1.26 -1.33 120.64 114.89 2uxl n GLU 45 Ca 0.07 0.56 0.09 0.00 -0.02 0.00 0.00 57.16 57.86 2uxl n GLU 45 Cb 0.59 -1.82 0.11 0.00 -0.02 0.00 0.00 31.44 30.30 2uxl n GLU 45 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 2uxl n ASP 46 N -1.92 2.76 0.00 1.62 5.75 -1.26 -4.96 116.55 118.54 2uxl n ASP 46 Ca -0.01 -1.83 0.00 0.00 -0.01 0.00 0.00 54.79 52.94 2uxl n ASP 46 Cb 0.08 -0.07 0.00 0.00 -1.03 0.00 0.00 41.12 40.10 2uxl n ASP 46 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2uxl n GLY 47 N 1.10 0.63 3.93 6.12 0.00 -0.44 -5.06 105.19 111.47 2uxl n GLY 47 Ca 0.13 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.88 2uxl n GLY 47 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2uxl s THR 48 N -2.30 5.19 0.06 2.61 -4.23 -1.26 -4.81 115.64 110.91 2uxl s THR 48 Ca 0.00 -0.44 -0.36 0.00 -1.18 0.00 0.00 61.69 59.71 2uxl s THR 48 Cb 0.00 -3.76 -0.15 0.00 1.34 0.00 0.00 72.50 69.93 2uxl s THR 48 CO 0.00 -0.25 1.53 -2.65 -0.54 0.00 0.00 174.62 172.71 2uxl n PRO 49 N -0.90 1.65 -2.29 3.99 -0.02 -1.26 -0.43 135.00 135.74 2uxl n PRO 49 Ca -0.05 0.60 -0.34 0.00 -2.02 0.00 0.00 63.50 61.69 2uxl n PRO 49 Cb 0.54 -2.31 -0.01 0.00 -0.02 0.00 0.00 33.50 31.70 2uxl n PRO 49 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2uxl s ALA 50 N 1.32 2.79 0.12 3.55 0.00 -0.18 -4.60 121.76 124.76 2uxl s ALA 50 Ca 0.84 0.53 -0.12 0.00 0.00 0.00 0.00 51.96 53.21 2uxl s ALA 50 Cb -0.83 -3.26 -0.09 0.00 0.00 0.00 0.00 23.12 18.94 2uxl s ALA 50 CO 0.46 -0.59 1.40 0.00 0.00 0.00 0.00 175.76 177.03 2uxl h ALA 51 N 1.01 0.45 -2.87 0.00 0.00 -1.91 -3.41 119.26 112.53 2uxl h ALA 51 Ca -0.48 -0.50 -0.67 0.00 0.00 0.00 0.00 54.91 53.26 2uxl h ALA 51 Cb 1.22 -0.08 -0.22 0.00 0.00 0.00 0.00 17.79 18.71 2uxl h ALA 51 CO 0.58 0.63 -0.55 1.21 0.00 0.00 0.00 179.25 181.12 2uxl s ASN 52 N -6.88 5.57 0.00 0.00 2.47 -1.26 -4.95 114.94 109.89 2uxl s ASN 52 Ca -0.11 -0.52 0.23 0.00 0.42 0.00 0.00 52.86 52.88 2uxl s ASN 52 Cb 0.10 -2.01 0.08 0.00 -1.45 0.00 0.00 41.25 37.97 2uxl s ASN 52 CO 0.88 -0.20 1.15 0.00 -3.72 0.00 0.00 177.10 175.22 2uxl n GLN 53 N 4.99 1.43 -0.06 0.43 1.13 -1.26 -4.98 117.38 119.05 2uxl n GLN 53 Ca -0.14 -1.17 0.01 0.00 -1.94 0.00 0.00 57.00 53.76 2uxl n GLN 53 Cb 0.49 -1.48 -0.00 0.00 0.11 0.00 0.00 30.24 29.36 2uxl n GLN 53 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2uxl n GLY 54 N 1.40 -2.22 0.08 1.08 0.00 -1.26 -4.68 105.19 99.59 2uxl n GLY 54 Ca 0.10 -1.50 0.13 0.00 0.00 0.00 0.00 46.02 44.75 2uxl n GLY 54 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2uxl n PRO 55 N -0.99 0.24 -3.57 1.61 -0.04 -1.26 -4.85 135.00 126.15 2uxl n PRO 55 Ca 0.00 0.15 -0.37 0.00 -0.04 0.00 0.00 63.50 63.24 2uxl n PRO 55 Cb 0.03 -1.74 -0.07 0.00 -0.04 0.00 0.00 33.50 31.68 2uxl n PRO 55 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2uxl s PHE 56 N -3.11 3.54 0.62 0.54 0.08 -1.26 -5.08 117.98 113.31 2uxl s PHE 56 Ca 0.10 0.68 -0.12 0.00 0.12 0.00 0.00 56.93 57.70 2uxl s PHE 56 Cb 0.13 -2.28 -0.03 0.00 -0.57 0.00 0.00 43.02 40.27 2uxl s PHE 56 CO 0.63 0.39 1.03 -1.25 -0.10 0.00 0.00 175.22 175.92 2uxl s PRO 57 N -0.04 3.44 0.60 0.24 0.04 -1.26 -5.05 135.00 132.97 2uxl s PRO 57 Ca 0.18 0.88 -0.20 0.00 0.04 0.00 0.00 61.00 61.91 2uxl s PRO 57 Cb -0.14 -2.06 -0.03 0.00 0.04 0.00 0.00 34.50 32.32 2uxl s PRO 57 CO 0.06 -0.70 1.32 -0.51 0.04 0.00 0.00 177.00 177.21 2uxl s LEU 58 N -5.05 3.69 0.76 -3.56 1.43 -1.26 -4.80 118.68 109.90 2uxl s LEU 58 Ca 0.57 2.67 -0.09 0.00 -1.03 0.00 0.00 54.13 56.25 2uxl s LEU 58 Cb -0.12 -4.48 0.08 0.00 0.03 0.00 0.00 46.19 41.70 2uxl s LEU 58 CO 0.49 -1.80 1.10 -2.16 0.23 0.00 0.00 176.35 174.20 2uxl s PRO 59 N -3.18 1.95 0.38 1.29 0.04 -1.26 -5.04 135.00 129.17 2uxl s PRO 59 Ca 0.78 -0.19 -0.27 0.00 0.04 0.00 0.00 61.00 61.36 2uxl s PRO 59 Cb -0.38 -2.07 -0.09 0.00 0.04 0.00 0.00 34.50 31.99 2uxl s PRO 59 CO 0.43 -1.48 1.32 0.15 0.04 0.00 0.00 177.00 177.45 2uxl s LYS 60 N -5.41 4.12 0.71 4.56 1.02 -1.26 -4.63 119.74 118.84 2uxl s LYS 60 Ca 0.62 2.21 -0.16 0.00 0.02 0.00 0.00 55.97 58.66 2uxl s LYS 60 Cb -0.10 -2.89 -0.02 0.00 -0.52 0.00 0.00 37.83 34.30 2uxl s LYS 60 CO 0.47 -0.38 0.75 -2.30 -0.92 0.00 0.00 175.35 172.97 2uxl n PRO 61 N 0.40 0.44 -4.14 -1.68 -0.02 -1.26 -4.68 135.00 124.05 2uxl n PRO 61 Ca 0.02 0.20 -0.09 0.00 -2.02 0.00 0.00 63.50 61.60 2uxl n PRO 61 Cb 0.43 -2.02 -0.10 0.00 -0.02 0.00 0.00 33.50 31.79 2uxl n PRO 61 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 2uxl s LYS 62 N -2.98 0.82 -0.17 -0.52 -2.85 -0.27 -4.93 119.74 108.83 2uxl s LYS 62 Ca 0.70 -1.35 0.00 0.00 -1.00 0.00 0.00 55.97 54.31 2uxl s LYS 62 Cb -0.36 0.09 0.04 0.00 -2.06 0.00 0.00 37.83 35.54 2uxl s LYS 62 CO 0.54 -0.15 -0.08 0.99 0.10 0.00 0.00 175.35 176.75 2uxl s THR 63 N -3.88 1.32 -0.12 3.79 2.01 -1.26 -1.73 115.64 115.78 2uxl s THR 63 Ca 0.16 -0.73 -0.22 0.00 0.31 0.00 0.00 61.69 61.21 2uxl s THR 63 Cb 0.07 -1.43 -0.03 0.00 0.01 0.00 0.00 72.50 71.12 2uxl s THR 63 CO -0.03 0.19 0.65 -0.36 -0.69 0.00 0.00 174.62 174.38 2uxl s PHE 64 N 1.55 3.50 -0.32 4.92 0.08 0.19 -4.92 117.98 122.98 2uxl s PHE 64 Ca 0.01 1.11 -0.10 0.00 0.12 0.00 0.00 56.93 58.06 2uxl s PHE 64 Cb -0.15 -2.77 -0.01 0.00 -0.57 0.00 0.00 43.02 39.51 2uxl s PHE 64 CO -0.08 0.01 0.18 0.42 -0.10 0.00 0.00 175.22 175.65 2uxl s ILE 65 N 1.14 4.80 0.59 0.64 1.01 -1.26 -0.12 121.20 127.99 2uxl s ILE 65 Ca 0.33 -0.34 -0.10 0.00 0.00 0.00 0.00 60.65 60.54 2uxl s ILE 65 Cb -0.17 -3.44 -0.04 0.00 0.01 0.00 0.00 42.46 38.82 2uxl s ILE 65 CO 0.14 0.06 0.98 -0.76 0.00 0.00 0.00 174.94 175.36 2uxl s LEU 66 N 1.65 3.32 0.85 2.97 1.43 -0.89 -5.03 118.68 122.97 2uxl s LEU 66 Ca 0.05 1.33 -0.10 0.00 -1.03 0.00 0.00 54.13 54.38 2uxl s LEU 66 Cb -0.17 -4.36 0.15 0.00 0.03 0.00 0.00 46.19 41.84 2uxl s LEU 66 CO 0.07 -0.80 1.18 -2.16 0.23 0.00 0.00 176.35 174.87 2uxl s PRO 67 N -5.06 1.24 -1.18 1.29 0.04 -1.26 -4.15 135.00 125.93 2uxl s PRO 67 Ca 0.54 -0.55 -0.01 0.00 0.04 0.00 0.00 61.00 61.02 2uxl s PRO 67 Cb -0.11 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.40 2uxl s PRO 67 CO 0.51 -1.92 0.04 0.72 0.04 0.00 0.00 177.00 176.40 2uxl n HIS 68 N -3.35 -1.40 -3.95 0.56 8.25 -1.26 -1.65 115.22 112.42 2uxl n HIS 68 Ca 0.14 0.04 -0.26 0.00 -0.26 0.00 0.00 57.72 57.37 2uxl n HIS 68 Cb 0.60 -2.97 -0.02 0.00 1.12 0.00 0.00 29.99 28.72 2uxl n HIS 68 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2uxl n GLY 69 N -0.87 -0.29 1.17 -1.41 0.00 -1.26 -4.88 105.19 97.66 2uxl n GLY 69 Ca -0.15 0.18 0.10 0.00 0.00 0.00 0.00 46.02 46.15 2uxl n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2uxl n ARG 70 N -4.41 2.47 0.00 1.61 5.12 -0.66 -5.02 116.66 115.78 2uxl n ARG 70 Ca -0.29 -2.29 0.00 0.00 -1.93 0.00 0.00 57.85 53.34 2uxl n ARG 70 Cb 0.68 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 30.48 2uxl n ARG 70 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2uxl n GLY 71 N 1.51 3.37 3.13 -0.13 0.00 -1.26 -4.98 105.19 106.83 2uxl n GLY 71 Ca 0.21 -1.92 -0.16 0.00 0.00 0.00 0.00 46.02 44.15 2uxl n GLY 71 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2uxl s THR 72 N -2.75 0.89 -0.04 2.61 -1.32 -1.26 -2.10 115.64 111.68 2uxl s THR 72 Ca 0.00 -1.24 0.03 0.00 -1.21 0.00 0.00 61.69 59.27 2uxl s THR 72 Cb 0.00 -0.92 -0.00 0.00 -1.51 0.00 0.00 72.50 70.07 2uxl s THR 72 CO 0.00 -0.30 -0.13 -0.22 -2.21 0.00 0.00 174.62 171.75 2uxl s LEU 73 N -1.72 1.85 -0.08 9.08 2.96 0.82 -4.98 118.68 126.61 2uxl s LEU 73 Ca -0.05 -0.28 0.04 0.00 -0.22 0.00 0.00 54.13 53.63 2uxl s LEU 73 Cb -0.10 -0.78 -0.00 0.00 0.50 0.00 0.00 46.19 45.82 2uxl s LEU 73 CO 0.01 0.11 -0.23 -0.89 -1.32 0.00 0.00 176.35 174.04 2uxl s THR 74 N 0.11 1.93 -0.10 3.68 2.01 -1.26 0.52 115.64 122.54 2uxl s THR 74 Ca -0.03 -0.96 -0.11 0.00 0.31 0.00 0.00 61.69 60.90 2uxl s THR 74 Cb -0.10 -1.67 0.03 0.00 0.01 0.00 0.00 72.50 70.77 2uxl s THR 74 CO 0.01 0.53 0.29 0.68 -0.69 0.00 0.00 174.62 175.45 2uxl s VAL 75 N 0.24 0.01 0.93 3.82 -7.23 -0.71 -4.39 120.40 113.07 2uxl s VAL 75 Ca -0.14 -0.08 -0.14 0.00 -1.81 0.00 0.00 61.98 59.81 2uxl s VAL 75 Cb -0.16 -0.44 0.15 0.00 0.56 0.00 0.00 36.38 36.49 2uxl s VAL 75 CO 0.07 -0.04 1.18 -2.16 -0.31 0.00 0.00 175.10 173.83 2uxl s PRO 76 N -0.06 0.95 0.00 4.82 0.04 -1.26 -1.12 135.00 138.38 2uxl s PRO 76 Ca -0.02 0.09 0.00 0.00 0.04 0.00 0.00 61.00 61.11 2uxl s PRO 76 Cb -0.03 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.68 2uxl s PRO 76 CO 0.01 -2.28 0.00 0.41 0.04 0.00 0.00 177.00 175.17 2uxl n GLY 77 N -2.57 0.76 3.64 0.56 0.00 -1.26 -4.76 105.19 101.55 2uxl n GLY 77 Ca 0.09 -0.51 -0.43 0.00 0.00 0.00 0.00 46.02 45.17 2uxl n GLY 77 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2uxl n PRO 78 N -0.01 1.67 -4.13 1.61 -0.02 -1.26 -5.00 135.00 127.86 2uxl n PRO 78 Ca 0.00 0.59 -0.12 0.00 -2.02 0.00 0.00 63.50 61.95 2uxl n PRO 78 Cb 0.00 -2.08 -0.11 0.00 -0.02 0.00 0.00 33.50 31.29 2uxl n PRO 78 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 2uxl s GLU 79 N -1.78 0.72 0.21 -0.52 -1.05 -1.26 -5.17 118.70 109.86 2uxl s GLU 79 Ca 0.58 -1.10 0.01 0.00 -0.15 0.00 0.00 54.97 54.32 2uxl s GLU 79 Cb -0.62 -0.29 -0.05 0.00 -0.44 0.00 0.00 34.13 32.74 2uxl s GLU 79 CO 0.60 0.02 0.06 0.45 0.95 0.00 0.00 175.26 177.35 2uxl s SER 80 N -2.42 1.04 0.42 0.83 0.15 -1.26 -5.04 113.70 107.42 2uxl s SER 80 Ca 0.03 -1.29 0.18 0.00 0.70 0.00 0.00 55.95 55.57 2uxl s SER 80 Cb -0.02 0.18 0.92 0.00 -1.71 0.00 0.00 66.02 65.39 2uxl s SER 80 CO -0.02 -0.68 1.88 -0.33 1.20 0.00 0.00 173.24 175.29 2uxl h GLU 81 N 2.56 0.00 0.00 5.44 4.39 -2.02 -3.46 114.58 121.49 2uxl h GLU 81 Ca -0.37 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.33 2uxl h GLU 81 Cb 1.23 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.88 2uxl h GLU 81 CO 0.61 0.29 0.00 -0.25 -1.16 0.00 0.00 179.01 178.50 2uxl n ASP 82 N -3.86 -0.74 -4.21 1.42 8.00 -1.26 -4.51 116.55 111.39 2uxl n ASP 82 Ca -0.02 0.00 -0.12 0.00 0.71 0.00 0.00 54.79 55.36 2uxl n ASP 82 Cb 0.37 -1.51 -0.10 0.00 -0.02 0.00 0.00 41.12 39.86 2uxl n ASP 82 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2uxl s ARG 83 N -0.64 0.97 0.19 -1.24 1.70 -1.26 -5.02 118.95 113.64 2uxl s ARG 83 Ca 0.00 -1.42 -0.18 0.00 -0.47 0.00 0.00 55.73 53.66 2uxl s ARG 83 Cb 0.00 -0.33 -0.08 0.00 -0.57 0.00 0.00 34.95 33.97 2uxl s ARG 83 CO 0.00 -0.02 0.67 -2.14 -1.08 0.00 0.00 175.30 172.73 2uxl s PRO 84 N -3.83 4.19 -0.39 3.89 0.02 -1.26 -5.06 135.00 132.56 2uxl s PRO 84 Ca 0.16 0.77 -0.01 0.00 0.02 0.00 0.00 61.00 61.94 2uxl s PRO 84 Cb 0.05 -2.92 0.10 0.00 0.02 0.00 0.00 34.50 31.75 2uxl s PRO 84 CO -0.01 0.43 0.16 0.42 -0.33 0.00 0.00 177.00 177.67 2uxl s ILE 85 N -1.48 3.06 -0.66 2.83 1.01 -1.26 -5.00 121.20 119.70 2uxl s ILE 85 Ca 0.41 -2.08 -0.15 0.00 0.00 0.00 0.00 60.65 58.82 2uxl s ILE 85 Cb -0.17 -3.11 -0.13 0.00 0.01 0.00 0.00 42.46 39.07 2uxl s ILE 85 CO 0.21 -0.64 1.86 0.00 0.00 0.00 0.00 174.94 176.36 2uxl n ALA 86 N 4.52 3.29 -2.60 9.38 0.00 -1.26 -4.83 120.51 129.01 2uxl n ALA 86 Ca -0.01 -2.48 -0.22 0.00 0.00 0.00 0.00 53.44 50.73 2uxl n ALA 86 Cb 0.42 -3.32 -0.13 0.00 0.00 0.00 0.00 19.45 16.41 2uxl n ALA 86 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2uxl s LEU 87 N 0.57 2.20 0.03 0.00 1.43 -1.26 -1.36 118.68 120.29 2uxl s LEU 87 Ca 0.47 -0.53 0.00 0.00 -1.03 0.00 0.00 54.13 53.04 2uxl s LEU 87 Cb 0.12 -0.72 -0.02 0.00 0.03 0.00 0.00 46.19 45.59 2uxl s LEU 87 CO 0.08 0.05 -0.04 0.00 0.23 0.00 0.00 176.35 176.67 2uxl s ALA 88 N -0.94 0.24 0.34 4.21 0.00 0.35 -4.82 121.76 121.14 2uxl s ALA 88 Ca 0.03 -0.67 -0.28 0.00 0.00 0.00 0.00 51.96 51.05 2uxl s ALA 88 Cb -0.09 0.13 -0.12 0.00 0.00 0.00 0.00 23.12 23.04 2uxl s ALA 88 CO 0.02 -0.14 1.32 0.54 0.00 0.00 0.00 175.76 177.49 2uxl n ARG 89 N 1.48 2.17 0.00 0.00 1.74 -1.26 -0.42 116.66 120.37 2uxl n ARG 89 Ca -0.23 0.76 0.08 0.00 -0.77 0.00 0.00 57.85 57.69 2uxl n ARG 89 Cb 0.55 -2.36 0.03 0.00 -1.02 0.00 0.00 32.46 29.66 2uxl n ARG 89 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 2uxl n THR 90 N 0.46 0.00 -3.89 0.55 -2.24 -1.19 -4.77 114.28 103.21 2uxl n THR 90 Ca 0.05 -0.41 -0.09 0.00 -2.27 0.00 0.00 64.05 61.33 2uxl n THR 90 Cb 0.36 1.25 -0.08 0.00 -2.10 0.00 0.00 70.33 69.76 2uxl n THR 90 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2uxl s ALA 91 N -1.60 -0.15 -1.43 6.98 0.00 -1.26 -5.05 121.76 119.25 2uxl s ALA 91 Ca 0.15 -0.66 0.30 0.00 0.00 0.00 0.00 51.96 51.76 2uxl s ALA 91 Cb 0.13 0.43 1.45 0.00 0.00 0.00 0.00 23.12 25.13 2uxl s ALA 91 CO 0.30 -0.47 2.01 1.33 0.00 0.00 0.00 175.76 178.93 2uxl n VAL 92 N 0.05 0.00 -4.44 0.00 0.24 -1.26 -4.90 118.33 108.02 2uxl n VAL 92 Ca -0.15 -0.01 -0.22 0.00 -2.04 0.00 0.00 64.34 61.92 2uxl n VAL 92 Cb 0.62 -0.43 -0.09 0.00 -1.47 0.00 0.00 33.84 32.46 2uxl n VAL 92 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 2uxl s SER 93 N -2.59 2.23 0.50 -1.34 1.04 -1.26 -5.15 113.70 107.14 2uxl s SER 93 Ca 0.27 -1.52 -0.20 0.00 0.48 0.00 0.00 55.95 54.98 2uxl s SER 93 Cb 0.20 0.26 -0.10 0.00 0.10 0.00 0.00 66.02 66.48 2uxl s SER 93 CO 0.47 -0.80 0.69 -0.62 0.98 0.00 0.00 173.24 173.96 2uxl n GLU 94 N -0.73 0.75 -0.08 4.02 1.02 -1.26 -4.26 120.64 120.10 2uxl n GLU 94 Ca -0.03 0.28 0.00 0.00 -0.02 0.00 0.00 57.16 57.39 2uxl n GLU 94 Cb 0.66 -1.78 0.00 0.00 -0.02 0.00 0.00 31.44 30.29 2uxl n GLU 94 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2uxl n GLY 95 N 1.59 0.56 4.00 0.62 0.00 -1.26 -5.07 105.19 105.64 2uxl n GLY 95 Ca 0.11 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.96 2uxl n GLY 95 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2uxl s PHE 96 N -2.26 2.80 0.77 1.61 0.40 -1.26 -5.10 117.98 114.94 2uxl s PHE 96 Ca 0.00 -0.34 -0.11 0.00 -0.60 0.00 0.00 56.93 55.88 2uxl s PHE 96 Cb 0.00 -2.44 0.05 0.00 0.51 0.00 0.00 43.02 41.14 2uxl s PHE 96 CO 0.00 -0.51 1.10 -2.14 0.70 0.00 0.00 175.22 174.37 2uxl s PRO 97 N -4.42 2.26 -0.29 0.24 0.02 -1.26 -4.93 135.00 126.61 2uxl s PRO 97 Ca 0.55 1.22 0.02 0.00 0.02 0.00 0.00 61.00 62.82 2uxl s PRO 97 Cb -0.10 -1.89 0.07 0.00 0.02 0.00 0.00 34.50 32.59 2uxl s PRO 97 CO 0.34 -1.65 -0.05 -1.01 -0.33 0.00 0.00 177.00 174.30 2uxl s HIS 98 N -2.81 3.37 0.21 6.54 3.76 -1.26 -3.14 115.29 121.96 2uxl s HIS 98 Ca 0.62 -2.38 -0.31 0.00 -0.15 0.00 0.00 55.06 52.85 2uxl s HIS 98 Cb -0.18 -2.19 -0.10 0.00 1.11 0.00 0.00 32.58 31.23 2uxl s HIS 98 CO 0.54 -0.88 1.44 0.00 -0.85 0.00 0.00 174.74 174.99 2uxl s ALA 99 N 1.09 3.64 0.17 -1.40 0.00 0.44 -4.51 121.76 121.19 2uxl s ALA 99 Ca -0.04 1.28 -0.34 0.00 0.00 0.00 0.00 51.96 52.86 2uxl s ALA 99 Cb -0.20 -3.56 -0.14 0.00 0.00 0.00 0.00 23.12 19.22 2uxl s ALA 99 CO -0.05 -0.71 1.56 -2.30 0.00 0.00 0.00 175.76 174.26 2uxl n PRO 100 N 2.95 2.14 0.00 0.00 -0.02 -1.26 -0.50 135.00 138.31 2uxl n PRO 100 Ca 0.09 0.77 0.14 0.00 -2.02 0.00 0.00 63.50 62.48 2uxl n PRO 100 Cb 0.40 -2.53 0.61 0.00 -0.02 0.00 0.00 33.50 31.97 2uxl n PRO 100 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2uxl n THR 101 N 3.22 0.00 -0.41 3.45 -2.24 -0.46 -4.85 114.28 112.99 2uxl n THR 101 Ca 0.16 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.93 2uxl n THR 101 Cb 0.29 -0.34 0.00 0.00 -2.10 0.00 0.00 70.33 68.18 2uxl n THR 101 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2uxl n GLY 102 N 1.40 5.55 3.54 3.38 0.00 -1.26 -5.07 105.19 112.73 2uxl n GLY 102 Ca 0.10 -1.10 -0.40 0.00 0.00 0.00 0.00 46.02 44.62 2uxl n GLY 102 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2uxl s ASP 103 N 1.00 6.09 0.34 1.61 -1.08 -1.26 -4.98 116.67 118.39 2uxl s ASP 103 Ca 0.00 -0.32 0.10 0.00 -0.52 0.00 0.00 52.55 51.81 2uxl s ASP 103 Cb 0.00 -2.15 0.60 0.00 -1.46 0.00 0.00 42.92 39.91 2uxl s ASP 103 CO 0.00 -0.24 1.77 1.55 0.52 0.00 0.00 175.17 178.77 2uxl h PRO 104 N 8.47 0.10 -0.02 4.34 0.13 -1.94 0.43 132.00 143.50 2uxl h PRO 104 Ca -0.31 -0.04 0.01 0.00 -0.87 0.00 0.00 66.00 64.78 2uxl h PRO 104 Cb 1.16 -0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.27 2uxl h PRO 104 CO 0.64 0.48 -0.14 0.52 -0.23 0.00 0.00 178.00 179.27 2uxl h MET 105 N 0.09 -0.16 -0.80 0.86 2.86 -1.93 -1.70 114.93 114.15 2uxl h MET 105 Ca 0.01 0.01 0.04 0.00 -2.06 0.00 0.00 59.70 57.70 2uxl h MET 105 Cb 0.73 0.04 -0.05 0.00 0.06 0.00 0.00 31.60 32.38 2uxl h MET 105 CO 0.05 -0.10 0.52 0.87 1.06 0.00 0.00 176.91 179.31 2uxl h LYS 106 N -0.16 0.93 0.00 1.72 1.57 -1.86 -3.15 116.57 115.62 2uxl h LYS 106 Ca 0.01 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 2uxl h LYS 106 Cb 0.18 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.28 2uxl h LYS 106 CO -0.11 0.61 0.00 -0.25 -0.57 0.00 0.00 179.45 179.14 2uxl n ASP 107 N -4.46 0.45 -1.91 0.86 8.00 0.15 -4.91 116.55 114.72 2uxl n ASP 107 Ca 0.11 0.56 -0.12 0.00 0.71 0.00 0.00 54.79 56.05 2uxl n ASP 107 Cb 0.14 -0.67 0.03 0.00 -0.02 0.00 0.00 41.12 40.60 2uxl n ASP 107 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2uxl n GLY 108 N 0.97 0.17 3.44 0.44 0.00 -0.69 -4.74 105.19 104.78 2uxl n GLY 108 Ca 0.05 -0.25 -0.22 0.00 0.00 0.00 0.00 46.02 45.61 2uxl n GLY 108 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2uxl s VAL 109 N -3.06 1.67 0.00 1.61 -7.23 -0.88 -3.84 120.40 108.66 2uxl s VAL 109 Ca 0.25 -2.12 0.00 0.00 -1.81 0.00 0.00 61.98 58.30 2uxl s VAL 109 Cb -0.11 -2.48 0.00 0.00 0.56 0.00 0.00 36.38 34.35 2uxl s VAL 109 CO 0.31 -0.28 0.00 0.61 -0.31 0.00 0.00 175.10 175.43 2uxl n GLY 110 N -0.61 0.40 0.31 2.32 0.00 -1.26 -2.38 105.19 103.96 2uxl n GLY 110 Ca -0.05 -0.85 0.16 0.00 0.00 0.00 0.00 46.02 45.28 2uxl n GLY 110 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2uxl h PRO 111 N 0.00 0.00 -0.89 1.61 0.11 -1.94 -0.97 132.00 129.92 2uxl h PRO 111 Ca 0.00 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.95 2uxl h PRO 111 Cb 0.00 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 31.02 2uxl h PRO 111 CO 0.00 0.00 0.20 0.00 -0.21 0.00 0.00 178.00 177.99 2uxl n ALA 112 N -1.89 3.81 -1.76 -0.75 0.00 -1.00 -3.54 120.51 115.37 2uxl n ALA 112 Ca -0.02 -1.38 -0.33 0.00 0.00 0.00 0.00 53.44 51.71 2uxl n ALA 112 Cb 0.27 -1.17 -0.02 0.00 0.00 0.00 0.00 19.45 18.53 2uxl n ALA 112 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2uxl s SER 113 N -0.36 6.24 0.12 0.00 0.01 -0.37 -3.73 113.70 115.61 2uxl s SER 113 Ca 0.32 1.81 -0.01 0.00 1.31 0.00 0.00 55.95 59.37 2uxl s SER 113 Cb 0.25 -2.54 -0.04 0.00 0.21 0.00 0.00 66.02 63.91 2uxl s SER 113 CO 0.07 -0.85 0.06 -1.66 0.41 0.00 0.00 173.24 171.28 2uxl s TRP 114 N -2.27 0.80 -0.03 2.43 1.48 -1.25 -4.29 118.94 115.82 2uxl s TRP 114 Ca 0.64 -1.19 0.07 0.00 -1.06 0.00 0.00 56.10 54.56 2uxl s TRP 114 Cb -0.15 -0.45 -0.02 0.00 -1.16 0.00 0.00 33.47 31.70 2uxl s TRP 114 CO 0.27 -0.52 -0.24 0.08 -4.06 0.00 0.00 176.95 172.48 2uxl s VAL 115 N -4.03 1.95 -0.79 -0.66 1.01 -1.26 -5.03 120.40 111.58 2uxl s VAL 115 Ca 0.22 -1.04 -0.26 0.00 0.00 0.00 0.00 61.98 60.90 2uxl s VAL 115 Cb 0.07 -1.62 -0.25 0.00 0.00 0.00 0.00 36.38 34.58 2uxl s VAL 115 CO 0.00 0.55 1.92 0.00 0.00 0.00 0.00 175.10 177.58 2uxl n ALA 116 N 2.61 0.32 -2.05 5.51 0.00 -1.26 -4.82 120.51 120.83 2uxl n ALA 116 Ca -0.16 -2.22 -0.22 0.00 0.00 0.00 0.00 53.44 50.84 2uxl n ALA 116 Cb 0.52 -3.20 0.03 0.00 0.00 0.00 0.00 19.45 16.80 2uxl n ALA 116 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2uxl s ARG 117 N 7.96 2.64 0.24 0.00 0.52 -1.26 -5.02 118.95 124.03 2uxl s ARG 117 Ca 0.73 -0.64 -0.31 0.00 -0.52 0.00 0.00 55.73 54.99 2uxl s ARG 117 Cb -0.01 -2.46 -0.13 0.00 0.52 0.00 0.00 34.95 32.87 2uxl s ARG 117 CO 0.21 -0.67 1.49 -2.13 0.02 0.00 0.00 175.30 174.22 2uxl n ARG 118 N -2.35 2.23 -1.05 3.54 3.00 -1.26 -4.26 116.66 116.51 2uxl n ARG 118 Ca 0.06 0.80 -0.17 0.00 -0.00 0.00 0.00 57.85 58.54 2uxl n ARG 118 Cb 0.59 -2.51 -0.14 0.00 0.00 0.00 0.00 32.46 30.40 2uxl n ARG 118 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 2uxl n ASP 119 N 2.45 5.87 -3.96 6.15 -0.08 -1.26 -2.81 116.55 122.91 2uxl n ASP 119 Ca 0.12 -2.49 -0.09 0.00 -1.51 0.00 0.00 54.79 50.82 2uxl n ASP 119 Cb 0.32 -1.43 -0.10 0.00 2.34 0.00 0.00 41.12 42.25 2uxl n ASP 119 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 2uxl s LEU 120 N 0.03 2.00 0.39 -2.67 1.43 -1.26 -4.94 118.68 113.67 2uxl s LEU 120 Ca 0.67 -0.53 -0.27 0.00 -1.03 0.00 0.00 54.13 52.96 2uxl s LEU 120 Cb 0.29 0.39 -0.10 0.00 0.03 0.00 0.00 46.19 46.80 2uxl s LEU 120 CO -0.01 -0.43 1.45 -2.84 0.23 0.00 0.00 176.35 174.75 2uxl s PRO 121 N -2.21 4.03 0.14 1.29 0.02 -1.26 -1.84 135.00 135.18 2uxl s PRO 121 Ca -0.09 2.50 -0.32 0.00 0.02 0.00 0.00 61.00 63.11 2uxl s PRO 121 Cb -0.04 -2.90 -0.12 0.00 0.02 0.00 0.00 34.50 31.46 2uxl s PRO 121 CO -0.03 -0.56 1.76 -1.91 -0.33 0.00 0.00 177.00 175.93 2uxl n GLU 122 N 0.34 2.63 -3.61 5.54 2.13 -1.26 -4.90 120.64 121.51 2uxl n GLU 122 Ca 0.02 0.95 -0.33 0.00 0.66 0.00 0.00 57.16 58.46 2uxl n GLU 122 Cb 0.40 -2.81 -0.05 0.00 0.27 0.00 0.00 31.44 29.25 2uxl n GLU 122 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 2uxl s LEU 123 N 2.02 4.30 0.00 4.31 1.43 -1.26 -1.85 118.68 127.62 2uxl s LEU 123 Ca 0.80 0.71 -0.15 0.00 -1.03 0.00 0.00 54.13 54.46 2uxl s LEU 123 Cb -0.54 -3.18 0.21 0.00 0.03 0.00 0.00 46.19 42.72 2uxl s LEU 123 CO 0.37 0.10 1.03 -0.90 0.23 0.00 0.00 176.35 177.18 2uxl n ASP 124 N 0.47 -0.72 0.30 2.29 5.68 0.10 -4.75 116.55 119.92 2uxl n ASP 124 Ca -0.05 -1.26 0.16 0.00 -0.50 0.00 0.00 54.79 53.14 2uxl n ASP 124 Cb 0.52 -0.84 0.96 0.00 -1.14 0.00 0.00 41.12 40.62 2uxl n ASP 124 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 2uxl h GLY 125 N -1.82 0.00 -2.49 6.12 0.00 -2.00 -1.77 103.07 101.12 2uxl h GLY 125 Ca -0.35 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.98 2uxl h GLY 125 CO 0.24 0.00 0.00 1.42 0.00 0.00 0.00 176.54 178.20 2uxl n HIS 126 N -3.69 0.87 -1.23 5.60 8.25 -1.26 -4.95 115.22 118.82 2uxl n HIS 126 Ca -0.03 -0.44 -0.06 0.00 -0.26 0.00 0.00 57.72 56.93 2uxl n HIS 126 Cb 0.09 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.17 2uxl n HIS 126 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2uxl n GLY 127 N 1.58 0.81 3.93 -1.41 0.00 -0.67 -5.04 105.19 104.40 2uxl n GLY 127 Ca 0.23 -0.77 -0.27 0.00 0.00 0.00 0.00 46.02 45.20 2uxl n GLY 127 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2uxl s HIS 128 N -2.23 3.48 -0.22 1.61 3.76 -1.26 -4.81 115.29 115.62 2uxl s HIS 128 Ca 0.00 0.15 -0.38 0.00 -0.15 0.00 0.00 55.06 54.68 2uxl s HIS 128 Cb 0.00 -1.69 -0.14 0.00 1.11 0.00 0.00 32.58 31.86 2uxl s HIS 128 CO 0.00 0.54 1.81 0.09 -0.85 0.00 0.00 174.74 176.32 2uxl n ASN 129 N -0.32 2.78 -0.34 1.40 3.02 -1.26 0.03 115.26 120.57 2uxl n ASN 129 Ca -0.06 1.03 0.02 0.00 -0.03 0.00 0.00 54.58 55.53 2uxl n ASN 129 Cb 0.53 -1.23 0.19 0.00 -0.61 0.00 0.00 39.78 38.67 2uxl n ASN 129 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 2uxl h LYS 130 N 8.05 1.11 -6.03 3.52 3.64 -1.66 -3.43 116.57 121.78 2uxl h LYS 130 Ca -0.47 -0.07 -0.68 0.00 -1.27 0.00 0.00 60.65 58.16 2uxl h LYS 130 Cb 1.30 -0.25 -0.21 0.00 -0.41 0.00 0.00 32.23 32.66 2uxl h LYS 130 CO 0.96 0.74 -0.71 0.42 -2.27 0.00 0.00 179.45 178.58 2uxl s ILE 131 N -5.99 3.53 0.05 2.00 1.01 -1.26 -0.83 121.20 119.71 2uxl s ILE 131 Ca -0.12 -0.54 -0.11 0.00 0.00 0.00 0.00 60.65 59.89 2uxl s ILE 131 Cb 0.19 -2.44 0.01 0.00 0.01 0.00 0.00 42.46 40.23 2uxl s ILE 131 CO 0.81 0.58 0.23 -0.54 0.00 0.00 0.00 174.94 176.02 2uxl s LYS 132 N -0.57 0.76 0.31 2.79 1.02 -0.80 -4.66 119.74 118.58 2uxl s LYS 132 Ca 0.08 -0.66 -0.30 0.00 0.02 0.00 0.00 55.97 55.12 2uxl s LYS 132 Cb -0.12 0.32 -0.11 0.00 -0.52 0.00 0.00 37.83 37.40 2uxl s LYS 132 CO 0.02 -0.23 1.56 -1.25 -0.92 0.00 0.00 175.35 174.52 2uxl s PRO 133 N -2.84 4.13 0.16 -1.68 0.04 -1.26 0.31 135.00 133.87 2uxl s PRO 133 Ca -0.03 2.55 -0.16 0.00 0.04 0.00 0.00 61.00 63.40 2uxl s PRO 133 Cb 0.00 -3.02 0.09 0.00 0.04 0.00 0.00 34.50 31.61 2uxl s PRO 133 CO -0.05 -0.59 1.72 1.98 0.04 0.00 0.00 177.00 180.10 2uxl h MET 134 N 4.44 0.17 0.00 4.56 4.05 -0.74 -0.92 114.93 126.49 2uxl h MET 134 Ca -0.48 -0.01 0.00 0.00 -0.28 0.00 0.00 59.70 58.93 2uxl h MET 134 Cb 1.22 -0.04 0.00 0.00 -0.80 0.00 0.00 31.60 31.99 2uxl h MET 134 CO 0.76 0.11 0.31 0.36 0.23 0.00 0.00 176.91 178.68 2uxl n LYS 135 N -5.11 0.08 -0.46 0.39 2.85 -1.26 -1.16 118.16 113.48 2uxl n LYS 135 Ca 0.02 0.55 0.07 0.00 -1.05 0.00 0.00 58.31 57.89 2uxl n LYS 135 Cb 0.17 -2.07 0.14 0.00 -0.65 0.00 0.00 35.03 32.62 2uxl n LYS 135 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2uxl n ALA 136 N -1.53 2.74 -3.77 0.58 0.00 -0.37 -4.94 120.51 113.22 2uxl n ALA 136 Ca -0.01 -2.64 -0.30 0.00 0.00 0.00 0.00 53.44 50.49 2uxl n ALA 136 Cb 0.33 -0.42 -0.14 0.00 0.00 0.00 0.00 19.45 19.22 2uxl n ALA 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2uxl s ALA 137 N -2.35 2.24 0.00 0.00 0.00 -0.31 -4.88 121.76 116.46 2uxl s ALA 137 Ca 0.30 -2.51 -0.35 0.00 0.00 0.00 0.00 51.96 49.41 2uxl s ALA 137 Cb 0.29 -1.88 -0.13 0.00 0.00 0.00 0.00 23.12 21.40 2uxl s ALA 137 CO -0.03 -1.96 1.73 0.00 0.00 0.00 0.00 175.76 175.50 2uxl n ALA 138 N 3.78 0.88 -3.88 0.00 0.00 -1.26 -0.42 120.51 119.61 2uxl n ALA 138 Ca 0.06 0.36 -0.30 0.00 0.00 0.00 0.00 53.44 53.56 2uxl n ALA 138 Cb 0.36 -2.40 -0.14 0.00 0.00 0.00 0.00 19.45 17.27 2uxl n ALA 138 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2uxl s GLY 139 N 2.67 2.10 0.38 0.00 0.00 -1.26 -5.13 107.32 106.08 2uxl s GLY 139 Ca 0.87 -2.92 -0.08 0.00 0.00 0.00 0.00 44.72 42.60 2uxl s GLY 139 CO 0.47 1.18 0.70 -1.36 0.00 0.00 0.00 173.10 174.09 2uxl s PHE 140 N 0.12 3.49 -0.01 1.90 0.40 0.44 -5.09 117.98 119.23 2uxl s PHE 140 Ca 0.16 0.86 -0.29 0.00 -0.60 0.00 0.00 56.93 57.06 2uxl s PHE 140 Cb -0.24 -2.30 0.07 0.00 0.51 0.00 0.00 43.02 41.06 2uxl s PHE 140 CO -0.02 -0.04 0.66 -3.38 0.70 0.00 0.00 175.22 173.14 2uxl s HIS 141 N -2.34 -0.63 0.09 0.36 -3.43 -1.26 -4.94 115.29 103.15 2uxl s HIS 141 Ca 0.48 0.97 -0.31 0.00 -0.80 0.00 0.00 55.06 55.41 2uxl s HIS 141 Cb -0.10 0.43 -0.10 0.00 -1.43 0.00 0.00 32.58 31.38 2uxl s HIS 141 CO 0.33 -0.65 1.80 0.08 -2.00 0.00 0.00 174.74 174.30 2uxl s VAL 142 N -1.64 2.74 -0.48 -5.38 1.01 -1.26 -4.86 120.40 110.53 2uxl s VAL 142 Ca -0.09 0.17 0.05 0.00 0.00 0.00 0.00 61.98 62.11 2uxl s VAL 142 Cb -0.00 -3.11 0.01 0.00 0.00 0.00 0.00 36.38 33.28 2uxl s VAL 142 CO 0.06 -0.00 0.52 -1.54 0.00 0.00 0.00 175.10 174.13 2uxl n SER 143 N 5.91 1.05 -3.64 3.32 3.41 -1.26 -5.03 113.62 117.39 2uxl n SER 143 Ca 0.17 -1.03 -0.03 0.00 -0.26 0.00 0.00 58.87 57.73 2uxl n SER 143 Cb 0.39 0.29 -0.04 0.00 -0.26 0.00 0.00 64.21 64.59 2uxl n SER 143 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2uxl s ALA 144 N -0.69 -2.11 0.00 7.33 0.00 -1.26 -5.18 121.76 119.86 2uxl s ALA 144 Ca 0.04 1.86 0.00 0.00 0.00 0.00 0.00 51.96 53.86 2uxl s ALA 144 Cb 0.04 -1.35 0.00 0.00 0.00 0.00 0.00 23.12 21.81 2uxl s ALA 144 CO 0.09 -0.27 0.00 0.41 0.00 0.00 0.00 175.76 175.99 2uxl n GLY 145 N 0.49 -0.44 3.69 0.00 0.00 -1.26 -4.88 105.19 102.80 2uxl n GLY 145 Ca -0.01 -1.80 -0.42 0.00 0.00 0.00 0.00 46.02 43.79 2uxl n GLY 145 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2uxl s LYS 146 N -1.22 4.44 -0.37 1.61 2.47 -1.26 -5.00 119.74 120.41 2uxl s LYS 146 Ca 0.00 1.47 -0.28 0.00 -1.56 0.00 0.00 55.97 55.59 2uxl s LYS 146 Cb 0.00 -3.52 0.02 0.00 -1.46 0.00 0.00 37.83 32.87 2uxl s LYS 146 CO 0.00 -0.29 1.07 1.21 0.16 0.00 0.00 175.35 177.50 2uxl s ASN 147 N 1.15 6.81 0.46 1.43 3.84 -1.26 -4.94 114.94 122.43 2uxl s ASN 147 Ca 0.51 0.82 0.26 0.00 0.21 0.00 0.00 52.86 54.65 2uxl s ASN 147 Cb -0.21 -2.53 0.66 0.00 -0.55 0.00 0.00 41.25 38.63 2uxl s ASN 147 CO 0.21 -0.98 1.72 1.55 -2.79 0.00 0.00 177.10 176.82 2uxl h PRO 148 N 8.46 0.00 -6.19 0.43 0.13 -1.95 -3.46 132.00 129.42 2uxl h PRO 148 Ca -0.22 0.00 -0.62 0.00 -0.87 0.00 0.00 66.00 64.30 2uxl h PRO 148 Cb 1.06 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.20 2uxl h PRO 148 CO 1.05 0.05 1.21 -0.89 -0.23 0.00 0.00 178.00 179.19 2uxl n ILE 149 N -3.12 0.50 0.00 -3.56 5.41 -1.26 -0.97 119.36 116.35 2uxl n ILE 149 Ca 0.03 -0.18 0.00 0.00 1.00 0.00 0.00 62.75 63.60 2uxl n ILE 149 Cb 0.47 -1.95 0.00 0.00 -0.71 0.00 0.00 39.64 37.45 2uxl n ILE 149 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2uxl n GLY 150 N 4.93 1.57 3.79 7.39 0.00 0.89 -5.02 105.19 118.73 2uxl n GLY 150 Ca 0.26 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.94 2uxl n GLY 150 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2uxl s LEU 151 N 0.00 3.80 0.40 0.99 1.43 -0.15 -4.68 118.68 120.47 2uxl s LEU 151 Ca 0.00 2.04 -0.24 0.00 -1.03 0.00 0.00 54.13 54.90 2uxl s LEU 151 Cb 0.00 -4.57 -0.09 0.00 0.03 0.00 0.00 46.19 41.56 2uxl s LEU 151 CO 0.00 -0.98 1.09 -2.16 0.23 0.00 0.00 176.35 174.53 2uxl s PRO 152 N -3.26 4.09 -0.27 1.29 0.04 -1.26 -1.66 135.00 133.97 2uxl s PRO 152 Ca 0.70 1.63 -0.10 0.00 0.04 0.00 0.00 61.00 63.27 2uxl s PRO 152 Cb -0.20 -2.57 -0.05 0.00 0.04 0.00 0.00 34.50 31.72 2uxl s PRO 152 CO 0.23 -0.23 0.17 0.08 0.04 0.00 0.00 177.00 177.29 2uxl s VAL 153 N -1.57 5.16 -0.15 -0.36 1.01 0.13 -0.82 120.40 123.80 2uxl s VAL 153 Ca 0.58 0.12 -0.06 0.00 0.00 0.00 0.00 61.98 62.62 2uxl s VAL 153 Cb -0.25 -3.45 -0.04 0.00 0.00 0.00 0.00 36.38 32.64 2uxl s VAL 153 CO 0.31 0.27 0.06 -0.60 0.00 0.00 0.00 175.10 175.14 2uxl s ARG 154 N 1.72 3.66 0.79 2.72 3.52 0.14 0.58 118.95 132.06 2uxl s ARG 154 Ca 0.07 -0.31 -0.07 0.00 -0.13 0.00 0.00 55.73 55.28 2uxl s ARG 154 Cb -0.16 -3.12 0.13 0.00 -1.56 0.00 0.00 34.95 30.24 2uxl s ARG 154 CO 0.10 0.47 1.10 0.20 -0.81 0.00 0.00 175.30 176.36 2uxl s GLY 155 N -0.18 1.75 0.00 8.12 0.00 -0.48 -0.93 107.32 115.59 2uxl s GLY 155 Ca 0.08 -1.30 0.23 0.00 0.00 0.00 0.00 44.72 43.73 2uxl s GLY 155 CO 0.01 -0.72 1.77 0.00 0.00 0.00 0.00 173.10 174.16 2uxl n ASP 157 N -0.94 2.59 -0.47 0.00 5.75 -1.26 -4.85 116.55 117.38 2uxl n ASP 157 Ca 0.17 -1.90 -0.06 0.00 -0.01 0.00 0.00 54.79 52.99 2uxl n ASP 157 Cb 0.08 -0.23 -0.03 0.00 -1.03 0.00 0.00 41.12 39.91 2uxl n ASP 157 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 2uxl n LEU 158 N 0.92 -0.18 -4.90 -2.12 4.77 -0.41 -5.03 117.00 110.05 2uxl n LEU 158 Ca 0.17 0.15 -0.33 0.00 -0.03 0.00 0.00 56.01 55.98 2uxl n LEU 158 Cb 0.45 -1.71 -0.05 0.00 -2.33 0.00 0.00 43.42 39.78 2uxl n LEU 158 CO 0.13 -0.58 -0.09 -1.61 -1.33 0.00 0.00 177.39 173.91 2uxl s GLU 159 N -2.09 3.52 0.06 3.23 0.41 -1.26 -4.91 118.70 117.66 2uxl s GLU 159 Ca 0.00 -0.22 -0.30 0.00 -0.41 0.00 0.00 54.97 54.04 2uxl s GLU 159 Cb 0.00 -3.04 -0.05 0.00 -1.78 0.00 0.00 34.13 29.26 2uxl s GLU 159 CO 0.00 0.62 1.07 0.42 -0.49 0.00 0.00 175.26 176.88 2uxl s ILE 160 N -1.41 4.38 -0.09 -1.63 -1.09 -1.26 -1.38 121.20 118.72 2uxl s ILE 160 Ca 0.31 1.79 0.19 0.00 -2.23 0.00 0.00 60.65 60.70 2uxl s ILE 160 Cb -0.13 -4.14 -0.28 0.00 -1.58 0.00 0.00 42.46 36.33 2uxl s ILE 160 CO 0.21 0.18 0.28 0.00 -1.23 0.00 0.00 174.94 174.38 2uxl n ALA 161 N 3.54 2.24 0.00 9.38 0.00 0.19 -4.93 120.51 130.94 2uxl n ALA 161 Ca 0.06 -0.79 0.00 0.00 0.00 0.00 0.00 53.44 52.71 2uxl n ALA 161 Cb 0.48 -0.46 0.00 0.00 0.00 0.00 0.00 19.45 19.48 2uxl n ALA 161 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2uxl n GLY 162 N 1.57 -0.79 3.11 0.00 0.00 -1.20 -4.10 105.19 103.77 2uxl n GLY 162 Ca -0.15 -0.87 -0.12 0.00 0.00 0.00 0.00 46.02 44.88 2uxl n GLY 162 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2uxl s LYS 163 N -0.84 0.66 -0.20 1.61 -2.85 -0.58 0.20 119.74 117.73 2uxl s LYS 163 Ca 0.00 -1.01 -0.25 0.00 -1.00 0.00 0.00 55.97 53.71 2uxl s LYS 163 Cb 0.00 -0.24 -0.01 0.00 -2.06 0.00 0.00 37.83 35.52 2uxl s LYS 163 CO 0.00 0.02 0.82 0.08 0.10 0.00 0.00 175.35 176.36 2uxl s VAL 164 N -2.39 4.87 -0.31 1.79 1.01 -0.66 0.16 120.40 124.87 2uxl s VAL 164 Ca -0.00 1.58 0.08 0.00 0.00 0.00 0.00 61.98 63.63 2uxl s VAL 164 Cb -0.03 -4.12 -0.09 0.00 0.00 0.00 0.00 36.38 32.14 2uxl s VAL 164 CO -0.02 -0.01 0.30 1.33 0.00 0.00 0.00 175.10 176.71 2uxl n VAL 165 N 4.93 0.00 -3.59 2.92 0.24 0.35 -0.08 118.33 123.10 2uxl n VAL 165 Ca 0.04 -0.30 -0.06 0.00 -2.04 0.00 0.00 64.34 61.99 2uxl n VAL 165 Cb 0.48 0.90 -0.02 0.00 -1.47 0.00 0.00 33.84 33.73 2uxl n VAL 165 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2uxl s ASP 166 N -1.90 -0.28 -0.14 -1.34 2.15 -1.13 -4.90 116.67 109.13 2uxl s ASP 166 Ca 0.02 -0.14 -0.01 0.00 0.43 0.00 0.00 52.55 52.85 2uxl s ASP 166 Cb 0.06 0.39 -0.02 0.00 -0.30 0.00 0.00 42.92 43.05 2uxl s ASP 166 CO 0.32 -0.67 -0.10 -0.63 -0.17 0.00 0.00 175.17 173.92 2uxl s ILE 167 N -3.10 3.35 -0.26 4.11 1.01 -1.26 -0.30 121.20 124.76 2uxl s ILE 167 Ca 0.08 -0.55 -0.15 0.00 0.00 0.00 0.00 60.65 60.03 2uxl s ILE 167 Cb -0.01 -2.43 -0.04 0.00 0.01 0.00 0.00 42.46 39.99 2uxl s ILE 167 CO -0.05 0.51 0.39 0.26 0.00 0.00 0.00 174.94 176.05 2uxl s TRP 168 N 0.37 3.27 -0.06 3.97 0.52 0.68 0.06 118.94 127.74 2uxl s TRP 168 Ca -0.08 0.47 0.01 0.00 0.02 0.00 0.00 56.10 56.52 2uxl s TRP 168 Cb -0.15 -2.57 -0.03 0.00 -1.15 0.00 0.00 33.47 29.56 2uxl s TRP 168 CO 0.05 -0.19 -0.08 0.14 0.02 0.00 0.00 176.95 176.88 2uxl s VAL 169 N 1.95 3.58 -0.14 4.03 -7.23 0.15 -1.42 120.40 121.33 2uxl s VAL 169 Ca 0.16 -0.54 -0.29 0.00 -1.81 0.00 0.00 61.98 59.50 2uxl s VAL 169 Cb -0.16 -2.46 -0.03 0.00 0.56 0.00 0.00 36.38 34.30 2uxl s VAL 169 CO 0.09 0.59 1.45 -0.62 -0.31 0.00 0.00 175.10 176.30 2uxl s ASP 170 N -0.82 6.77 -0.13 4.85 -1.08 -0.33 -1.91 116.67 124.02 2uxl s ASP 170 Ca 0.12 1.85 -0.21 0.00 -0.52 0.00 0.00 52.55 53.80 2uxl s ASP 170 Cb -0.11 -2.54 -0.19 0.00 -1.46 0.00 0.00 42.92 38.63 2uxl s ASP 170 CO 0.01 -0.89 0.56 0.40 0.52 0.00 0.00 175.17 175.77 2uxl h ILE 171 N 5.62 1.29 -0.79 4.11 2.04 -1.29 -1.15 117.51 127.33 2uxl h ILE 171 Ca -0.32 -1.96 0.01 0.00 1.00 0.00 0.00 64.86 63.59 2uxl h ILE 171 Cb 1.14 2.43 -0.04 0.00 -0.74 0.00 0.00 36.82 39.61 2uxl h ILE 171 CO 0.97 0.44 0.52 1.55 0.00 0.00 0.00 178.15 181.63 2uxl h PRO 172 N -1.00 1.03 0.00 2.37 0.13 -1.93 -2.97 132.00 129.63 2uxl h PRO 172 Ca -0.00 -0.06 -0.15 0.00 -0.87 0.00 0.00 66.00 64.91 2uxl h PRO 172 Cb 0.72 -0.23 -0.02 0.00 0.13 0.00 0.00 31.00 31.59 2uxl h PRO 172 CO 0.00 0.68 -0.73 0.93 -0.23 0.00 0.00 178.00 178.65 2uxl h GLU 173 N 1.06 0.00 -4.64 0.86 4.39 -1.93 -3.48 114.58 110.83 2uxl h GLU 173 Ca 0.30 0.00 -0.24 0.00 0.34 0.00 0.00 59.36 59.76 2uxl h GLU 173 Cb -0.10 0.00 0.12 0.00 -0.10 0.00 0.00 28.75 28.67 2uxl h GLU 173 CO -0.07 0.73 -0.56 1.04 -1.16 0.00 0.00 179.01 178.99 2uxl n GLN 174 N -3.49 -4.72 -4.13 2.33 6.02 -0.45 -5.07 117.38 107.87 2uxl n GLN 174 Ca -0.00 0.61 -0.09 0.00 -0.01 0.00 0.00 57.00 57.51 2uxl n GLN 174 Cb 0.76 -4.93 -0.10 0.00 1.02 0.00 0.00 30.24 26.99 2uxl n GLN 174 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2uxl s MET 175 N -4.96 0.73 -0.30 -1.09 0.23 -1.15 -5.01 119.30 107.75 2uxl s MET 175 Ca 0.01 -1.25 -0.25 0.00 -1.03 0.00 0.00 55.69 53.17 2uxl s MET 175 Cb -0.00 -0.06 0.00 0.00 -1.53 0.00 0.00 34.83 33.24 2uxl s MET 175 CO 0.53 -0.05 0.85 0.00 -2.03 0.00 0.00 175.02 174.32 2uxl s ALA 176 N -3.56 3.54 -0.21 3.16 0.00 -1.26 -1.19 121.76 122.23 2uxl s ALA 176 Ca 0.08 -0.33 0.13 0.00 0.00 0.00 0.00 51.96 51.84 2uxl s ALA 176 Cb 0.05 -3.37 -0.22 0.00 0.00 0.00 0.00 23.12 19.58 2uxl s ALA 176 CO -0.06 -1.23 -0.01 0.54 0.00 0.00 0.00 175.76 175.00 2uxl n ARG 177 N 6.31 0.78 -3.90 0.00 1.74 -0.50 -4.75 116.66 116.34 2uxl n ARG 177 Ca 0.05 0.03 -0.11 0.00 -0.77 0.00 0.00 57.85 57.06 2uxl n ARG 177 Cb 0.48 -1.50 -0.12 0.00 -1.02 0.00 0.00 32.46 30.30 2uxl n ARG 177 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 2uxl s PHE 178 N -2.48 0.06 -0.18 -1.55 0.40 -0.93 -0.48 117.98 112.82 2uxl s PHE 178 Ca -0.16 -0.12 -0.17 0.00 -0.60 0.00 0.00 56.93 55.88 2uxl s PHE 178 Cb 0.07 -0.06 -0.04 0.00 0.51 0.00 0.00 43.02 43.50 2uxl s PHE 178 CO 0.73 -0.11 0.45 -0.51 0.70 0.00 0.00 175.22 176.49 2uxl s LEU 179 N -0.63 4.19 -0.23 -0.37 1.43 0.12 -0.23 118.68 122.96 2uxl s LEU 179 Ca -0.07 0.65 -0.22 0.00 -1.03 0.00 0.00 54.13 53.46 2uxl s LEU 179 Cb -0.04 -2.62 -0.02 0.00 0.03 0.00 0.00 46.19 43.54 2uxl s LEU 179 CO -0.00 -0.08 0.71 -0.70 0.23 0.00 0.00 176.35 176.51 2uxl s GLU 180 N 1.19 4.17 -0.14 1.70 2.12 0.59 -1.13 118.70 127.20 2uxl s GLU 180 Ca 0.22 0.73 0.00 0.00 0.36 0.00 0.00 54.97 56.28 2uxl s GLU 180 Cb -0.15 -3.63 -0.01 0.00 0.26 0.00 0.00 34.13 30.60 2uxl s GLU 180 CO 0.09 -0.41 -0.14 0.08 -0.54 0.00 0.00 175.26 174.34 2uxl s VAL 181 N 2.47 2.85 -0.15 3.70 1.01 0.12 -0.49 120.40 129.91 2uxl s VAL 181 Ca 0.30 -0.72 -0.23 0.00 0.00 0.00 0.00 61.98 61.34 2uxl s VAL 181 Cb -0.16 -2.20 -0.02 0.00 0.00 0.00 0.00 36.38 34.00 2uxl s VAL 181 CO 0.09 0.52 0.71 -1.61 0.00 0.00 0.00 175.10 174.81 2uxl s GLU 182 N 0.61 4.30 0.42 2.72 2.02 0.12 -1.92 118.70 126.98 2uxl s GLU 182 Ca -0.08 0.82 -0.01 0.00 0.02 0.00 0.00 54.97 55.72 2uxl s GLU 182 Cb -0.16 -3.54 -0.02 0.00 0.10 0.00 0.00 34.13 30.51 2uxl s GLU 182 CO 0.03 -0.18 0.66 -0.51 0.02 0.00 0.00 175.26 175.28 2uxl s LEU 183 N 1.66 3.77 0.22 1.80 1.43 -0.31 -1.53 118.68 125.72 2uxl s LEU 183 Ca 0.34 0.52 0.14 0.00 -1.03 0.00 0.00 54.13 54.11 2uxl s LEU 183 Cb -0.17 -3.41 0.77 0.00 0.03 0.00 0.00 46.19 43.42 2uxl s LEU 183 CO 0.13 -0.53 1.42 2.29 0.23 0.00 0.00 176.35 179.90 2uxl n LYS 184 N -2.03 0.09 -0.04 1.70 2.85 -1.26 0.18 118.16 119.66 2uxl n LYS 184 Ca -0.01 0.58 0.12 0.00 -1.05 0.00 0.00 58.31 57.96 2uxl n LYS 184 Cb 0.56 -1.82 0.31 0.00 -0.65 0.00 0.00 35.03 33.43 2uxl n LYS 184 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 2uxl n ASP 185 N -2.00 2.31 0.00 -5.58 5.75 -1.26 -4.98 116.55 110.79 2uxl n ASP 185 Ca -0.01 -1.77 0.00 0.00 -0.01 0.00 0.00 54.79 53.00 2uxl n ASP 185 Cb 0.04 -0.05 0.00 0.00 -1.03 0.00 0.00 41.12 40.08 2uxl n ASP 185 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2uxl n GLY 186 N 1.27 2.97 3.78 6.12 0.00 0.13 -5.07 105.19 114.39 2uxl n GLY 186 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 2uxl n GLY 186 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2uxl s SER 187 N -1.24 3.85 0.18 1.61 1.04 -1.26 -4.78 113.70 113.09 2uxl s SER 187 Ca 0.00 1.16 0.09 0.00 0.48 0.00 0.00 55.95 57.69 2uxl s SER 187 Cb 0.00 -1.82 -0.04 0.00 0.10 0.00 0.00 66.02 64.26 2uxl s SER 187 CO 0.00 -2.36 -0.19 0.42 0.98 0.00 0.00 173.24 172.09 2uxl s THR 188 N -3.18 1.94 0.14 2.02 -4.23 -1.26 -1.16 115.64 109.92 2uxl s THR 188 Ca 0.63 -1.98 0.07 0.00 -1.18 0.00 0.00 61.69 59.23 2uxl s THR 188 Cb -0.15 -1.93 -0.04 0.00 1.34 0.00 0.00 72.50 71.72 2uxl s THR 188 CO 0.54 -0.30 -0.16 -0.13 -0.54 0.00 0.00 174.62 174.03 2uxl s ARG 189 N -2.86 1.13 0.02 3.99 1.81 -0.81 -4.86 118.95 117.38 2uxl s ARG 189 Ca 0.18 -1.30 -0.19 0.00 -1.72 0.00 0.00 55.73 52.69 2uxl s ARG 189 Cb -0.06 -1.11 -0.06 0.00 -0.45 0.00 0.00 34.95 33.27 2uxl s ARG 189 CO 0.08 0.22 0.55 -0.51 -0.68 0.00 0.00 175.30 174.95 2uxl s LEU 190 N -2.50 4.47 -0.10 2.53 1.43 -1.26 -0.70 118.68 122.54 2uxl s LEU 190 Ca 0.12 1.15 0.03 0.00 -1.03 0.00 0.00 54.13 54.40 2uxl s LEU 190 Cb -0.06 -2.84 0.00 0.00 0.03 0.00 0.00 46.19 43.33 2uxl s LEU 190 CO 0.05 0.21 -0.21 -0.76 0.23 0.00 0.00 176.35 175.86 2uxl s LEU 191 N -0.67 2.00 0.23 1.79 2.01 -0.28 -4.96 118.68 118.80 2uxl s LEU 191 Ca 0.29 -0.52 -0.31 0.00 0.01 0.00 0.00 54.13 53.59 2uxl s LEU 191 Cb -0.18 -1.31 -0.13 0.00 0.01 0.00 0.00 46.19 44.58 2uxl s LEU 191 CO 0.17 0.11 1.48 -2.65 1.01 0.00 0.00 176.35 176.47 2uxl n PRO 192 N 3.72 2.19 0.26 1.29 -0.02 -1.26 -0.70 135.00 140.47 2uxl n PRO 192 Ca -0.20 0.78 0.13 0.00 -2.02 0.00 0.00 63.50 62.19 2uxl n PRO 192 Cb 0.52 -2.48 0.67 0.00 -0.02 0.00 0.00 33.50 32.19 2uxl n PRO 192 CO 0.00 0.00 0.00 1.98 1.98 0.00 0.00 175.50 179.46 2uxl h MET 193 N 4.67 0.00 -0.24 -0.52 4.05 -1.07 -2.96 114.93 118.86 2uxl h MET 193 Ca -0.45 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 58.97 2uxl h MET 193 Cb 1.26 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.06 2uxl h MET 193 CO 0.79 0.14 0.00 1.04 0.23 0.00 0.00 176.91 179.11 2uxl n GLN 194 N -3.53 1.67 -0.65 0.39 3.00 -1.26 -3.25 117.38 113.75 2uxl n GLN 194 Ca -0.01 -1.02 0.01 0.00 -0.01 0.00 0.00 57.00 55.96 2uxl n GLN 194 Cb 0.29 -1.29 0.00 0.00 0.00 0.00 0.00 30.24 29.24 2uxl n GLN 194 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.06 175.73 2uxl n MET 195 N 0.29 0.00 -4.26 -1.09 2.81 -1.12 -5.07 117.12 108.68 2uxl n MET 195 Ca 0.12 -1.13 -0.22 0.00 -1.81 0.00 0.00 57.70 54.67 2uxl n MET 195 Cb 0.27 -0.42 -0.12 0.00 -0.71 0.00 0.00 33.22 32.24 2uxl n MET 195 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 2uxl s VAL 196 N 0.00 1.46 -0.28 2.03 -7.23 -1.20 -4.34 120.40 110.83 2uxl s VAL 196 Ca 0.05 -1.41 -0.02 0.00 -1.81 0.00 0.00 61.98 58.78 2uxl s VAL 196 Cb 0.06 -1.35 0.04 0.00 0.56 0.00 0.00 36.38 35.69 2uxl s VAL 196 CO -0.02 -0.11 -0.01 -0.75 -0.31 0.00 0.00 175.10 173.90 2uxl s LYS 197 N -1.77 2.64 -0.39 4.82 2.20 0.69 -4.97 119.74 122.95 2uxl s LYS 197 Ca 0.03 -1.12 -0.28 0.00 -0.36 0.00 0.00 55.97 54.24 2uxl s LYS 197 Cb -0.10 -3.13 0.02 0.00 -1.51 0.00 0.00 37.83 33.11 2uxl s LYS 197 CO 0.03 -0.52 1.04 0.08 -0.36 0.00 0.00 175.35 175.62 2uxl s VAL 198 N 1.31 4.43 0.58 4.02 1.01 -1.26 -0.16 120.40 130.33 2uxl s VAL 198 Ca -0.02 1.35 0.08 0.00 0.00 0.00 0.00 61.98 63.39 2uxl s VAL 198 Cb -0.18 -4.45 0.08 0.00 0.00 0.00 0.00 36.38 31.82 2uxl s VAL 198 CO -0.02 -0.69 0.65 -1.10 0.00 0.00 0.00 175.10 173.94 2uxl s GLN 199 N 3.86 2.23 0.15 2.72 -0.21 0.16 -5.00 119.66 123.57 2uxl s GLN 199 Ca 0.44 -1.86 -0.16 0.00 0.02 0.00 0.00 55.36 53.80 2uxl s GLN 199 Cb -0.10 -2.39 0.02 0.00 1.00 0.00 0.00 33.01 31.53 2uxl s GLN 199 CO 0.22 -0.83 1.77 0.66 -2.12 0.00 0.00 175.29 174.99 2uxl h SER 200 N 0.36 0.53 0.00 5.90 4.64 -2.01 -3.33 113.55 119.64 2uxl h SER 200 Ca -0.32 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 60.94 2uxl h SER 200 Cb 1.30 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 2uxl h SER 200 CO 0.47 0.44 -0.01 -0.46 -0.87 0.00 0.00 176.83 176.40 2uxl n ASN 201 N -4.73 2.14 -3.59 4.97 6.94 -1.26 -5.05 115.26 114.68 2uxl n ASN 201 Ca 0.01 -2.63 -0.06 0.00 -0.02 0.00 0.00 54.58 51.88 2uxl n ASN 201 Cb 0.06 -0.26 -0.02 0.00 -2.36 0.00 0.00 39.78 37.21 2uxl n ASN 201 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2uxl s ARG 202 N -2.07 0.83 -0.27 -3.83 1.70 -1.25 -4.47 118.95 109.59 2uxl s ARG 202 Ca 0.19 -0.37 -0.11 0.00 -0.47 0.00 0.00 55.73 54.97 2uxl s ARG 202 Cb 0.16 0.34 -0.05 0.00 -0.57 0.00 0.00 34.95 34.83 2uxl s ARG 202 CO 0.02 -0.37 0.19 0.08 -1.08 0.00 0.00 175.30 174.14 2uxl s VAL 203 N -3.02 5.32 -0.20 4.99 1.01 -0.00 0.39 120.40 128.89 2uxl s VAL 203 Ca 0.08 0.19 -0.09 0.00 0.00 0.00 0.00 61.98 62.16 2uxl s VAL 203 Cb -0.01 -3.53 -0.05 0.00 0.00 0.00 0.00 36.38 32.80 2uxl s VAL 203 CO -0.05 0.27 0.10 -2.28 0.00 0.00 0.00 175.10 173.15 2uxl s HIS 204 N 1.57 3.33 -0.27 5.22 2.46 0.77 -0.69 115.29 127.69 2uxl s HIS 204 Ca 0.07 0.20 0.03 0.00 0.47 0.00 0.00 55.06 55.83 2uxl s HIS 204 Cb -0.15 -2.13 0.06 0.00 -0.13 0.00 0.00 32.58 30.23 2uxl s HIS 204 CO 0.09 0.21 -0.10 0.08 -2.47 0.00 0.00 174.74 172.55 2uxl s VAL 205 N 0.42 2.23 0.18 0.89 1.01 -0.11 -0.22 120.40 124.80 2uxl s VAL 205 Ca 0.06 -1.65 0.05 0.00 0.00 0.00 0.00 61.98 60.44 2uxl s VAL 205 Cb -0.12 -2.33 -0.14 0.00 0.00 0.00 0.00 36.38 33.80 2uxl s VAL 205 CO -0.01 -0.06 1.40 -1.13 0.00 0.00 0.00 175.10 175.31 2uxl h ASN 206 N 7.78 0.16 -0.83 3.32 -1.24 -1.86 -3.14 115.58 119.76 2uxl h ASN 206 Ca -0.19 -0.13 -0.01 0.00 0.71 0.00 0.00 56.30 56.69 2uxl h ASN 206 Cb 1.04 -0.05 -0.04 0.00 0.73 0.00 0.00 38.32 40.00 2uxl h ASN 206 CO 0.47 0.93 0.50 0.00 -1.29 0.00 0.00 177.43 178.04 2uxl h ALA 207 N 1.06 1.30 -3.95 1.57 0.00 -1.87 -3.41 119.26 113.95 2uxl h ALA 207 Ca -0.03 -0.10 -0.68 0.00 0.00 0.00 0.00 54.91 54.10 2uxl h ALA 207 Cb 1.47 -0.34 -0.22 0.00 0.00 0.00 0.00 17.79 18.71 2uxl h ALA 207 CO 0.12 0.60 -0.82 -0.51 0.00 0.00 0.00 179.25 178.64 2uxl s LEU 208 N -9.88 2.56 0.22 0.00 1.43 -1.25 -3.75 118.68 108.01 2uxl s LEU 208 Ca -0.12 -0.50 -0.09 0.00 -1.03 0.00 0.00 54.13 52.40 2uxl s LEU 208 Cb 0.17 -1.48 -0.07 0.00 0.03 0.00 0.00 46.19 44.84 2uxl s LEU 208 CO 0.81 0.23 0.53 -0.94 0.23 0.00 0.00 176.35 177.21 2uxl s SER 209 N -1.62 6.61 0.52 2.29 1.04 -1.26 -0.29 113.70 120.99 2uxl s SER 209 Ca 0.15 0.88 0.28 0.00 0.48 0.00 0.00 55.95 57.75 2uxl s SER 209 Cb -0.10 -2.21 1.41 0.00 0.10 0.00 0.00 66.02 65.21 2uxl s SER 209 CO 0.06 -0.06 1.91 0.77 0.98 0.00 0.00 173.24 176.90 2uxl h SER 210 N 2.58 0.06 0.48 7.02 4.64 -1.88 0.47 113.55 126.92 2uxl h SER 210 Ca -0.47 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 2uxl h SER 210 Cb 1.17 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 2uxl h SER 210 CO 0.70 0.02 0.00 -0.90 -0.87 0.00 0.00 176.83 175.78 2uxl n ASP 211 N -4.33 0.00 0.01 4.97 5.75 -1.26 -3.29 116.55 118.41 2uxl n ASP 211 Ca 0.17 -0.13 0.11 0.00 -0.01 0.00 0.00 54.79 54.92 2uxl n ASP 211 Cb 0.85 -0.27 0.02 0.00 -1.03 0.00 0.00 41.12 40.69 2uxl n ASP 211 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 2uxl n LEU 212 N -1.27 0.66 -0.04 -2.12 4.77 0.16 -4.49 117.00 114.68 2uxl n LEU 212 Ca 0.13 -0.14 -0.11 0.00 -0.03 0.00 0.00 56.01 55.87 2uxl n LEU 212 Cb 0.21 -0.10 -0.05 0.00 -2.33 0.00 0.00 43.42 41.15 2uxl n LEU 212 CO 0.20 0.11 0.88 -0.26 -1.33 0.00 0.00 177.39 176.99 2uxl h PHE 213 N 0.00 0.24 -0.92 -1.77 -1.00 -1.63 -2.42 116.94 109.44 2uxl h PHE 213 Ca 0.00 -0.01 0.20 0.00 2.81 0.00 0.00 57.97 60.97 2uxl h PHE 213 Cb 0.64 -0.07 -0.07 0.00 3.61 0.00 0.00 35.95 40.05 2uxl h PHE 213 CO 0.00 0.26 0.60 0.00 -1.61 0.00 0.00 178.31 177.56 2uxl h ALA 214 N 0.95 2.09 0.00 2.45 0.00 -1.80 0.29 119.26 123.25 2uxl h ALA 214 Ca 0.06 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2uxl h ALA 214 Cb 0.11 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2uxl h ALA 214 CO -0.01 -0.39 0.00 0.78 0.00 0.00 0.00 179.25 179.63 2uxl h GLY 215 N 0.49 0.00 -4.56 0.00 0.00 -1.68 -3.46 103.07 93.85 2uxl h GLY 215 Ca 0.49 0.00 -0.59 0.00 0.00 0.00 0.00 47.33 47.23 2uxl h GLY 215 CO -0.21 0.00 0.47 1.39 0.00 0.00 0.00 176.54 178.19 2uxl n ILE 216 N -2.42 1.33 -1.59 2.60 5.41 0.10 -4.91 119.36 119.87 2uxl n ILE 216 Ca 0.02 -0.33 -0.47 0.00 1.00 0.00 0.00 62.75 62.96 2uxl n ILE 216 Cb 0.25 -1.34 -0.03 0.00 -0.71 0.00 0.00 39.64 37.80 2uxl n ILE 216 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 2uxl n PRO 217 N 1.47 1.33 -3.98 0.38 -0.02 -1.26 -5.02 135.00 127.90 2uxl n PRO 217 Ca 0.10 0.47 -0.22 0.00 -2.02 0.00 0.00 63.50 61.83 2uxl n PRO 217 Cb 0.32 -1.97 -0.02 0.00 -0.02 0.00 0.00 33.50 31.80 2uxl n PRO 217 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 2uxl s THR 218 N -0.33 5.21 0.09 3.45 -4.23 -1.26 -4.72 115.64 113.84 2uxl s THR 218 Ca 0.70 -0.95 0.03 0.00 -1.18 0.00 0.00 61.69 60.29 2uxl s THR 218 Cb -0.79 -3.80 -0.04 0.00 1.34 0.00 0.00 72.50 69.21 2uxl s THR 218 CO 0.53 -0.28 0.07 0.27 -0.54 0.00 0.00 174.62 174.67 2uxl s ILE 219 N -1.94 4.44 0.29 2.99 -4.36 -1.26 -5.04 121.20 116.32 2uxl s ILE 219 Ca 0.34 -0.83 0.07 0.00 -0.26 0.00 0.00 60.65 59.97 2uxl s ILE 219 Cb -0.09 -3.14 0.03 0.00 1.25 0.00 0.00 42.46 40.50 2uxl s ILE 219 CO 0.29 0.11 1.68 0.07 0.24 0.00 0.00 174.94 177.33 2uxl h LYS 220 N 3.25 0.19 -5.32 0.37 5.09 -2.00 -3.45 116.57 114.70 2uxl h LYS 220 Ca -0.47 -0.10 -0.44 0.00 0.09 0.00 0.00 60.65 59.73 2uxl h LYS 220 Cb 1.17 0.00 -0.24 0.00 0.10 0.00 0.00 32.23 33.26 2uxl h LYS 220 CO 0.65 0.61 -0.79 0.45 -2.09 0.00 0.00 179.45 178.28 2uxl s SER 221 N -6.88 1.66 0.00 7.07 0.15 -1.26 -5.02 113.70 109.42 2uxl s SER 221 Ca -0.04 -0.48 0.15 0.00 0.70 0.00 0.00 55.95 56.27 2uxl s SER 221 Cb 0.13 -0.10 0.89 0.00 -1.71 0.00 0.00 66.02 65.23 2uxl s SER 221 CO 0.77 0.01 1.30 -2.65 1.20 0.00 0.00 173.24 173.88 2uxl n PRO 222 N 1.79 0.46 0.00 5.44 -0.02 -1.26 -3.57 135.00 137.84 2uxl n PRO 222 Ca -0.19 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.29 2uxl n PRO 222 Cb 0.55 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.53 2uxl n PRO 222 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2uxl n THR 223 N -1.00 0.00 -3.61 3.45 -2.24 -1.26 -4.88 114.28 104.75 2uxl n THR 223 Ca 0.11 -0.01 -0.16 0.00 -2.27 0.00 0.00 64.05 61.72 2uxl n THR 223 Cb 0.05 1.95 -0.07 0.00 -2.10 0.00 0.00 70.33 70.16 2uxl n THR 223 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 2uxl s GLU 224 N -0.00 0.92 -0.10 -0.78 -1.05 -1.23 -4.62 118.70 111.83 2uxl s GLU 224 Ca 0.00 0.09 0.03 0.00 -0.15 0.00 0.00 54.97 54.94 2uxl s GLU 224 Cb 0.00 0.43 0.00 0.00 -0.44 0.00 0.00 34.13 34.12 2uxl s GLU 224 CO 0.00 -0.28 -0.21 0.54 0.95 0.00 0.00 175.26 176.26 2uxl s VAL 225 N -1.27 1.85 0.67 1.83 0.11 -1.26 -4.35 120.40 117.98 2uxl s VAL 225 Ca -0.12 -0.89 -0.11 0.00 -2.93 0.00 0.00 61.98 57.93 2uxl s VAL 225 Cb -0.02 -1.62 -0.01 0.00 -1.53 0.00 0.00 36.38 33.20 2uxl s VAL 225 CO 0.08 0.51 1.05 0.42 -3.33 0.00 0.00 175.10 173.83 2uxl s THR 226 N 0.48 4.19 0.24 5.04 -4.23 -1.26 -4.19 115.64 115.90 2uxl s THR 226 Ca -0.16 0.71 -0.06 0.00 -1.18 0.00 0.00 61.69 61.00 2uxl s THR 226 Cb -0.17 -3.60 0.20 0.00 1.34 0.00 0.00 72.50 70.26 2uxl s THR 226 CO 0.06 -0.93 1.81 -0.07 -0.54 0.00 0.00 174.62 174.96 2uxl h LEU 227 N -0.56 0.64 -0.05 4.79 3.38 -1.45 0.17 115.31 122.23 2uxl h LEU 227 Ca -0.44 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.56 2uxl h LEU 227 Cb 1.21 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.88 2uxl h LEU 227 CO 0.60 0.38 -0.02 0.25 0.09 0.00 0.00 178.44 179.74 2uxl h LEU 228 N 0.76 0.10 -0.96 1.67 5.85 -1.70 -1.94 115.31 119.09 2uxl h LEU 228 Ca 0.37 -0.40 0.22 0.00 0.84 0.00 0.00 57.88 58.91 2uxl h LEU 228 Cb 0.31 -0.03 -0.12 0.00 0.37 0.00 0.00 40.66 41.20 2uxl h LEU 228 CO -0.23 0.47 0.53 -0.08 -0.34 0.00 0.00 178.44 178.79 2uxl h GLU 229 N -0.28 0.57 0.96 1.25 4.81 -1.83 -1.83 114.58 118.22 2uxl h GLU 229 Ca 0.01 -0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 59.16 2uxl h GLU 229 Cb 0.43 -0.13 0.01 0.00 0.63 0.00 0.00 28.75 29.69 2uxl h GLU 229 CO 0.01 0.38 -0.46 0.93 -0.73 0.00 0.00 179.01 179.13 2uxl h GLU 230 N 0.58 -1.24 -0.80 1.92 5.08 -0.26 -2.70 114.58 117.17 2uxl h GLU 230 Ca 0.59 0.08 0.18 0.00 -1.00 0.00 0.00 59.36 59.21 2uxl h GLU 230 Cb 1.04 0.28 -0.11 0.00 0.50 0.00 0.00 28.75 30.46 2uxl h GLU 230 CO -0.45 -0.82 0.26 -0.44 -1.00 0.00 0.00 179.01 176.56 2uxl h ASP 231 N -1.32 0.15 -0.86 1.42 5.19 -1.13 -0.09 116.42 119.78 2uxl h ASP 231 Ca -0.13 0.15 -0.02 0.00 -0.62 0.00 0.00 57.03 56.40 2uxl h ASP 231 Cb 0.98 0.16 -0.04 0.00 0.18 0.00 0.00 39.33 40.62 2uxl h ASP 231 CO 0.22 -0.01 0.44 0.11 -3.12 0.00 0.00 179.24 176.88 2uxl h LYS 232 N 0.34 1.22 -0.03 3.56 1.57 -1.31 0.34 116.57 122.26 2uxl h LYS 232 Ca 0.47 -0.16 -0.02 0.00 -1.87 0.00 0.00 60.65 59.06 2uxl h LYS 232 Cb 0.82 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.90 2uxl h LYS 232 CO -0.51 0.92 -0.07 0.82 -0.57 0.00 0.00 179.45 180.04 2uxl h ILE 233 N 1.22 1.44 -0.94 1.86 2.04 -0.92 -1.89 117.51 120.33 2uxl h ILE 233 Ca 0.30 -1.40 0.04 0.00 1.00 0.00 0.00 64.86 64.80 2uxl h ILE 233 Cb 0.07 2.30 -0.06 0.00 -0.74 0.00 0.00 36.82 38.40 2uxl h ILE 233 CO -0.04 0.38 0.61 0.00 0.00 0.00 0.00 178.15 179.09 2uxl h GLY 235 N 1.15 0.16 0.98 0.00 0.00 -0.89 -1.99 103.07 102.49 2uxl h GLY 235 Ca 0.38 -0.10 -0.01 0.00 0.00 0.00 0.00 47.33 47.60 2uxl h GLY 235 CO -0.14 0.09 0.29 -1.82 0.00 0.00 0.00 176.54 174.96 2uxl h TYR 236 N -0.06 0.70 0.11 5.60 3.20 -1.22 0.11 116.97 125.40 2uxl h TYR 236 Ca 0.03 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.88 2uxl h TYR 236 Cb 0.25 -0.23 0.00 0.00 1.54 0.00 0.00 36.73 38.30 2uxl h TYR 236 CO 0.01 0.51 -0.05 0.28 -1.64 0.00 0.00 178.16 177.27 2uxl h VAL 237 N 0.69 1.10 -0.76 1.81 2.07 -1.38 -2.95 116.25 116.83 2uxl h VAL 237 Ca 0.18 -0.87 0.08 0.00 0.82 0.00 0.00 66.70 66.91 2uxl h VAL 237 Cb 0.04 1.64 -0.07 0.00 -1.52 0.00 0.00 31.29 31.39 2uxl h VAL 237 CO -0.03 0.21 0.42 0.00 0.02 0.00 0.00 177.57 178.19 2uxl h ALA 238 N 0.27 1.05 -1.33 1.67 0.00 -1.24 -1.86 119.26 117.81 2uxl h ALA 238 Ca -0.01 0.03 0.40 0.00 0.00 0.00 0.00 54.91 55.32 2uxl h ALA 238 Cb 0.45 -0.12 -0.10 0.00 0.00 0.00 0.00 17.79 18.02 2uxl h ALA 238 CO 0.02 0.07 0.90 0.78 0.00 0.00 0.00 179.25 181.03 2uxl h GLY 239 N 0.74 0.83 2.00 0.00 0.00 -0.62 0.35 103.07 106.37 2uxl h GLY 239 Ca 0.35 -0.09 -0.02 0.00 0.00 0.00 0.00 47.33 47.57 2uxl h GLY 239 CO -0.22 -0.20 -0.09 -1.33 0.00 0.00 0.00 176.54 174.70 2uxl h GLY 240 N 0.12 0.00 0.51 4.60 0.00 -1.24 -2.26 103.07 104.80 2uxl h GLY 240 Ca 0.74 0.00 0.06 0.00 0.00 0.00 0.00 47.33 48.13 2uxl h GLY 240 CO -0.25 0.00 0.11 1.41 0.00 0.00 0.00 176.54 177.81 2uxl h LEU 241 N 0.00 0.06 0.12 3.11 3.38 -1.01 0.13 115.31 121.11 2uxl h LEU 241 Ca -0.00 0.07 -0.24 0.00 0.09 0.00 0.00 57.88 57.80 2uxl h LEU 241 Cb 0.29 0.08 0.01 0.00 0.09 0.00 0.00 40.66 41.13 2uxl h LEU 241 CO 0.01 0.07 -1.15 -0.03 0.09 0.00 0.00 178.44 177.43 2uxl h MET 242 N 0.25 0.26 0.00 1.13 4.05 -1.72 -3.35 114.93 115.55 2uxl h MET 242 Ca 0.21 -0.44 0.00 0.00 -0.28 0.00 0.00 59.70 59.18 2uxl h MET 242 Cb 0.24 0.17 0.00 0.00 -0.80 0.00 0.00 31.60 31.21 2uxl h MET 242 CO -0.25 1.21 -0.61 1.88 0.23 0.00 0.00 176.91 179.37 2uxl h TYR 243 N -0.35 0.00 0.22 1.39 0.05 -1.34 -3.24 116.97 113.69 2uxl h TYR 243 Ca -0.24 0.00 -0.29 0.00 0.05 0.00 0.00 58.73 58.25 2uxl h TYR 243 Cb 1.70 0.00 0.03 0.00 1.01 0.00 0.00 36.73 39.47 2uxl h TYR 243 CO 0.16 0.00 -1.30 0.00 -1.05 0.00 0.00 178.16 175.96 2uxl h ALA 244 N 2.18 -0.12 0.00 3.88 0.00 -0.94 -3.40 119.26 120.86 2uxl h ALA 244 Ca 0.00 -0.83 0.00 0.00 0.00 0.00 0.00 54.91 54.08 2uxl h ALA 244 Cb 0.91 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.88 2uxl h ALA 244 CO 0.00 0.62 0.00 0.00 0.00 0.00 0.00 179.25 179.87 2uxl n ALA 245 N -2.72 0.00 -0.29 0.00 0.00 -1.22 0.11 120.51 116.38 2uxl n ALA 245 Ca -0.17 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.28 2uxl n ALA 245 Cb 1.02 0.00 0.06 0.00 0.00 0.00 0.00 19.45 20.52 2uxl n ALA 245 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2uxl n PRO 246 N -2.33 -0.15 -0.73 0.00 -0.02 -1.26 -2.02 135.00 128.50 2uxl n PRO 246 Ca 0.00 1.19 -0.08 0.00 -2.02 0.00 0.00 63.50 62.59 2uxl n PRO 246 Cb 0.00 -1.77 -0.12 0.00 -0.02 0.00 0.00 33.50 31.59 2uxl n PRO 246 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2uxl n LYS 247 N -5.17 1.47 -2.69 -0.52 4.76 0.12 -3.91 118.16 112.21 2uxl n LYS 247 Ca 0.09 -0.69 -0.06 0.00 -2.87 0.00 0.00 58.31 54.79 2uxl n LYS 247 Cb 0.33 -1.80 0.08 0.00 -1.84 0.00 0.00 35.03 31.80 2uxl n LYS 247 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2uxl n ARG 248 N 2.49 0.70 -0.59 1.97 1.74 -0.85 -4.48 116.66 117.63 2uxl n ARG 248 Ca 0.30 -1.34 0.00 0.00 -0.77 0.00 0.00 57.85 56.04 2uxl n ARG 248 Cb 0.68 -0.26 0.00 0.00 -1.02 0.00 0.00 32.46 31.86 2uxl n ARG 248 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 2uxl n LYS 249 N -0.18 0.00 0.00 5.56 4.81 -1.25 -4.78 118.16 122.32 2uxl n LYS 249 Ca -0.08 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.36 2uxl n LYS 249 Cb 0.75 -3.15 0.00 0.00 0.02 0.00 0.00 35.03 32.65 2uxl n LYS 249 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 2uxl n SER 250 N 0.00 0.00 0.00 3.14 7.64 -1.26 -5.15 113.62 117.98 2uxl n SER 250 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2uxl n SER 250 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 2uxl n SER 250 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55