#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x3b n SER 2 N 0.00 -5.66 -3.58 1.61 2.88 -1.26 -4.79 113.62 102.82 1x3b n SER 2 Ca 0.00 0.80 -0.15 0.00 -1.33 0.00 0.00 58.87 58.19 1x3b n SER 2 Cb 0.00 -3.64 -0.06 0.00 -0.75 0.00 0.00 64.21 59.75 1x3b n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1x3b s SER 3 N -1.12 -0.68 0.00 -3.46 0.15 -1.15 -4.89 113.70 102.54 1x3b s SER 3 Ca 0.02 1.06 0.00 0.00 0.70 0.00 0.00 55.95 57.73 1x3b s SER 3 Cb -0.01 0.99 0.00 0.00 -1.71 0.00 0.00 66.02 65.29 1x3b s SER 3 CO 0.48 -0.41 0.00 0.61 1.20 0.00 0.00 173.24 175.12 1x3b n GLY 4 N 1.80 0.34 0.22 9.45 0.00 -1.26 -4.27 105.19 111.46 1x3b n GLY 4 Ca -0.16 -1.31 -0.14 0.00 0.00 0.00 0.00 46.02 44.41 1x3b n GLY 4 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1x3b h SER 5 N 0.00 -0.40 -1.14 1.61 0.87 -2.01 -3.43 113.55 109.04 1x3b h SER 5 Ca 0.00 -0.10 -0.01 0.00 -1.23 0.00 0.00 61.79 60.45 1x3b h SER 5 Cb 0.00 0.10 -0.22 0.00 -0.44 0.00 0.00 62.40 61.84 1x3b h SER 5 CO 0.00 -0.13 -0.40 -0.44 -0.53 0.00 0.00 176.83 175.33 1x3b s SER 6 N -4.93 -1.24 0.36 6.23 0.01 -1.26 -5.14 113.70 107.73 1x3b s SER 6 Ca -0.15 0.11 0.00 0.00 1.31 0.00 0.00 55.95 57.22 1x3b s SER 6 Cb 0.03 1.87 0.00 0.00 0.21 0.00 0.00 66.02 68.13 1x3b s SER 6 CO 0.58 -0.31 0.00 0.61 0.41 0.00 0.00 173.24 174.53 1x3b n GLY 7 N 5.41 -1.82 1.71 3.44 0.00 -1.26 -5.04 105.19 107.62 1x3b n GLY 7 Ca 0.04 -1.23 0.00 0.00 0.00 0.00 0.00 46.02 44.83 1x3b n GLY 7 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1x3b n MET 8 N -2.82 -4.76 -3.72 1.61 0.00 -1.26 -4.50 117.12 101.68 1x3b n MET 8 Ca 0.01 3.43 -0.28 0.00 0.00 0.00 0.00 57.70 60.85 1x3b n MET 8 Cb 0.35 -3.76 -0.16 0.00 0.00 0.00 0.00 33.22 29.65 1x3b n MET 8 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 1x3b s GLY 9 N -1.71 0.79 0.85 3.03 0.00 -1.26 -2.92 107.32 106.10 1x3b s GLY 9 Ca 0.00 -0.98 -0.12 0.00 0.00 0.00 0.00 44.72 43.62 1x3b s GLY 9 CO 0.00 1.52 1.18 -0.51 0.00 0.00 0.00 173.10 175.28 1x3b s THR 10 N 1.81 2.09 0.18 0.90 -4.23 -1.26 -3.91 115.64 111.21 1x3b s THR 10 Ca 0.02 0.03 -0.22 0.00 -1.18 0.00 0.00 61.69 60.35 1x3b s THR 10 Cb -0.17 -2.27 0.08 0.00 1.34 0.00 0.00 72.50 71.49 1x3b s THR 10 CO -0.15 -0.03 1.39 0.55 -0.54 0.00 0.00 174.62 175.84 1x3b n VAL 11 N -3.72 -0.54 0.16 2.29 3.14 -1.26 0.18 118.33 118.58 1x3b n VAL 11 Ca 0.13 2.14 -0.14 0.00 -2.96 0.00 0.00 64.34 63.51 1x3b n VAL 11 Cb 0.51 -2.74 -0.08 0.00 -1.06 0.00 0.00 33.84 30.47 1x3b n VAL 11 CO 0.00 0.00 0.00 0.24 -6.46 0.00 0.00 176.83 170.61 1x3b h MET 12 N 0.00 -0.34 -0.62 1.45 2.86 -1.89 -2.82 114.93 113.58 1x3b h MET 12 Ca 0.23 0.02 0.13 0.00 -2.06 0.00 0.00 59.70 58.02 1x3b h MET 12 Cb 0.46 0.08 -0.10 0.00 0.06 0.00 0.00 31.60 32.09 1x3b h MET 12 CO -0.87 -0.17 0.03 -0.44 1.06 0.00 0.00 176.91 176.51 1x3b h ASP 13 N -0.42 -0.22 -1.13 1.22 5.19 -0.80 0.58 116.42 120.84 1x3b h ASP 13 Ca -0.04 0.15 0.33 0.00 -0.62 0.00 0.00 57.03 56.85 1x3b h ASP 13 Cb 0.32 0.25 -0.12 0.00 0.18 0.00 0.00 39.33 39.96 1x3b h ASP 13 CO 0.06 -0.09 0.71 0.58 -3.12 0.00 0.00 179.24 177.38 1x3b h VAL 14 N 0.14 0.35 -0.12 -1.35 2.07 0.22 1.65 116.25 119.20 1x3b h VAL 14 Ca 0.33 -0.10 -0.21 0.00 0.82 0.00 0.00 66.70 67.54 1x3b h VAL 14 Cb 0.52 0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.34 1x3b h VAL 14 CO -0.51 0.05 -0.77 -0.07 0.02 0.00 0.00 177.57 176.30 1x3b h LEU 15 N 0.28 0.76 -0.66 2.57 3.38 0.23 -2.52 115.31 119.35 1x3b h LEU 15 Ca 0.70 -0.50 -0.06 0.00 0.09 0.00 0.00 57.88 58.11 1x3b h LEU 15 Cb 1.89 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 42.39 1x3b h LEU 15 CO -0.40 1.28 0.20 0.11 0.09 0.00 0.00 178.44 179.72 1x3b h LYS 16 N 0.43 1.04 0.66 1.13 1.57 0.31 -3.11 116.57 118.61 1x3b h LYS 16 Ca -0.05 -0.23 -0.03 0.00 -1.87 0.00 0.00 60.65 58.47 1x3b h LYS 16 Cb 1.38 -0.15 0.01 0.00 0.08 0.00 0.00 32.23 33.55 1x3b h LYS 16 CO 0.15 0.91 -0.32 0.78 -0.57 0.00 0.00 179.45 180.40 1x3b h GLY 17 N 0.97 -0.93 -4.58 3.86 0.00 0.20 -3.41 103.07 99.18 1x3b h GLY 17 Ca 0.21 0.34 -0.53 0.00 0.00 0.00 0.00 47.33 47.36 1x3b h GLY 17 CO -0.01 -0.34 0.73 0.99 0.00 0.00 0.00 176.54 177.91 1x3b s ASP 18 N -4.41 6.85 0.07 0.19 1.11 -0.96 -4.92 116.67 114.60 1x3b s ASP 18 Ca -0.18 2.28 -0.16 0.00 0.18 0.00 0.00 52.55 54.67 1x3b s ASP 18 Cb 0.03 -2.58 -0.16 0.00 1.07 0.00 0.00 42.92 41.28 1x3b s ASP 18 CO 0.62 -0.65 1.28 0.78 1.18 0.00 0.00 175.17 178.38 1x3b h ASN 19 N 6.94 0.74 -1.00 0.27 2.35 -1.80 -3.17 115.58 119.90 1x3b h ASN 19 Ca -0.42 -0.62 0.35 0.00 -0.55 0.00 0.00 56.30 55.07 1x3b h ASN 19 Cb 1.21 -0.22 -0.18 0.00 0.05 0.00 0.00 38.32 39.18 1x3b h ASN 19 CO 0.86 1.23 0.30 0.54 -1.65 0.00 0.00 177.43 178.71 1x3b n ARG 20 N -4.15 -0.07 -2.33 0.81 1.74 -1.26 0.58 116.66 111.99 1x3b n ARG 20 Ca -0.07 1.43 -0.38 0.00 -0.77 0.00 0.00 57.85 58.06 1x3b n ARG 20 Cb 0.63 -2.43 0.02 0.00 -1.02 0.00 0.00 32.46 29.66 1x3b n ARG 20 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1x3b n PHE 21 N -5.37 3.04 -0.03 -1.55 3.72 -1.20 -4.20 117.46 111.88 1x3b n PHE 21 Ca 0.31 -2.64 -0.02 0.00 -0.05 0.00 0.00 57.45 55.06 1x3b n PHE 21 Cb 1.05 -1.02 -0.01 0.00 -0.94 0.00 0.00 39.48 38.57 1x3b n PHE 21 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1x3b h SER 22 N 3.40 0.00 -1.50 4.37 4.64 0.02 -3.30 113.55 121.19 1x3b h SER 22 Ca 0.49 0.00 0.44 0.00 -0.47 0.00 0.00 61.79 62.26 1x3b h SER 22 Cb 0.26 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 62.28 1x3b h SER 22 CO 1.23 0.27 1.05 0.24 -0.87 0.00 0.00 176.83 178.75 1x3b h MET 23 N -0.37 0.04 0.55 4.77 2.86 -1.83 0.40 114.93 121.35 1x3b h MET 23 Ca 0.00 -0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.61 1x3b h MET 23 Cb 0.17 -0.01 0.01 0.00 0.06 0.00 0.00 31.60 31.82 1x3b h MET 23 CO 0.00 0.03 -0.27 1.25 1.06 0.00 0.00 176.91 178.98 1x3b h LEU 24 N 0.05 -0.63 -0.87 1.22 5.85 -1.90 -2.98 115.31 116.04 1x3b h LEU 24 Ca 0.76 -0.04 0.17 0.00 0.84 0.00 0.00 57.88 59.60 1x3b h LEU 24 Cb 2.84 0.16 -0.16 0.00 0.37 0.00 0.00 40.66 43.87 1x3b h LEU 24 CO -0.11 -0.33 -0.26 0.58 -0.34 0.00 0.00 178.44 177.98 1x3b h VAL 25 N -0.93 0.10 -0.74 1.05 2.07 -0.28 0.69 116.25 118.21 1x3b h VAL 25 Ca -0.08 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.58 1x3b h VAL 25 Cb 0.63 0.10 -0.14 0.00 -1.52 0.00 0.00 31.29 30.36 1x3b h VAL 25 CO 0.12 0.00 -0.26 0.00 0.02 0.00 0.00 177.57 177.46 1x3b h ALA 26 N 1.70 0.31 -0.09 1.67 0.00 -1.35 0.37 119.26 121.87 1x3b h ALA 26 Ca 0.39 0.26 0.04 0.00 0.00 0.00 0.00 54.91 55.60 1x3b h ALA 26 Cb 0.63 0.69 -0.06 0.00 0.00 0.00 0.00 17.79 19.05 1x3b h ALA 26 CO -0.90 -0.51 -0.35 0.00 0.00 0.00 0.00 179.25 177.48 1x3b h ALA 27 N 1.50 -0.47 0.09 0.00 0.00 0.51 0.62 119.26 121.52 1x3b h ALA 27 Ca 0.33 0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.24 1x3b h ALA 27 Cb 0.57 0.65 -0.03 0.00 0.00 0.00 0.00 17.79 18.98 1x3b h ALA 27 CO -0.78 -0.85 -0.31 0.82 0.00 0.00 0.00 179.25 178.13 1x3b h ILE 28 N -0.45 0.00 -0.86 0.00 2.04 0.01 1.50 117.51 119.75 1x3b h ILE 28 Ca 0.08 0.00 0.22 0.00 1.00 0.00 0.00 64.86 66.16 1x3b h ILE 28 Cb 0.58 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 36.52 1x3b h ILE 28 CO -0.34 0.00 0.17 -0.61 0.00 0.00 0.00 178.15 177.37 1x3b h GLN 29 N -0.46 0.17 0.00 2.37 4.15 -0.08 1.63 115.11 122.89 1x3b h GLN 29 Ca -0.01 -0.01 -0.00 0.00 0.77 0.00 0.00 58.65 59.40 1x3b h GLN 29 Cb 0.45 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.10 1x3b h GLN 29 CO -0.16 0.11 -0.00 1.03 -1.93 0.00 0.00 178.83 177.88 1x3b h SER 30 N 0.17 -0.00 -0.20 -0.69 0.87 0.13 -2.63 113.55 111.21 1x3b h SER 30 Ca 0.53 -0.24 -0.01 0.00 -1.23 0.00 0.00 61.79 60.84 1x3b h SER 30 Cb 1.04 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.99 1x3b h SER 30 CO -0.68 0.24 0.10 0.00 -0.53 0.00 0.00 176.83 175.97 1x3b h ALA 31 N 0.76 1.73 -0.75 6.23 0.00 0.52 -3.46 119.26 124.28 1x3b h ALA 31 Ca -0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1x3b h ALA 31 Cb 0.24 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1x3b h ALA 31 CO 0.00 0.22 0.00 0.41 0.00 0.00 0.00 179.25 179.88 1x3b n GLY 32 N -1.34 0.84 0.01 0.00 0.00 0.53 -4.89 105.19 100.33 1x3b n GLY 32 Ca 0.01 -0.37 0.05 0.00 0.00 0.00 0.00 46.02 45.71 1x3b n GLY 32 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1x3b n LEU 33 N -0.37 0.00 -0.20 0.99 4.77 -0.96 -4.58 117.00 116.64 1x3b n LEU 33 Ca 0.00 0.00 -0.05 0.00 -0.03 0.00 0.00 56.01 55.93 1x3b n LEU 33 Cb 0.29 0.03 0.01 0.00 -2.33 0.00 0.00 43.42 41.42 1x3b n LEU 33 CO 0.00 0.03 0.64 0.74 -1.33 0.00 0.00 177.39 177.47 1x3b h THR 34 N 0.00 0.19 0.26 -5.08 2.02 -1.89 0.70 112.91 109.11 1x3b h THR 34 Ca -0.03 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.16 1x3b h THR 34 Cb 0.70 0.19 -0.03 0.00 -1.74 0.00 0.00 68.15 67.27 1x3b h THR 34 CO 0.00 0.00 -0.40 -0.33 0.37 0.00 0.00 175.52 175.16 1x3b h GLU 35 N -0.15 -0.70 -0.77 6.66 5.08 -1.94 1.53 114.58 124.29 1x3b h GLU 35 Ca 0.24 0.05 0.15 0.00 -1.00 0.00 0.00 59.36 58.80 1x3b h GLU 35 Cb 0.55 0.16 -0.15 0.00 0.50 0.00 0.00 28.75 29.81 1x3b h GLU 35 CO -0.68 -0.47 -0.19 1.15 -1.00 0.00 0.00 179.01 177.83 1x3b h THR 36 N -0.73 0.23 0.00 1.13 2.02 -1.48 1.64 112.91 115.73 1x3b h THR 36 Ca -0.01 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.15 1x3b h THR 36 Cb 0.70 0.23 -0.00 0.00 -1.74 0.00 0.00 68.15 67.34 1x3b h THR 36 CO -0.15 0.00 -0.12 -0.07 0.37 0.00 0.00 175.52 175.54 1x3b h LEU 37 N -0.00 0.00 -1.14 2.58 3.38 -0.30 -2.79 115.31 117.04 1x3b h LEU 37 Ca 0.37 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.25 1x3b h LEU 37 Cb 0.56 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 1x3b h LEU 37 CO -0.79 0.12 -0.37 -1.13 0.09 0.00 0.00 178.44 176.37 1x3b h ASN 38 N 0.00 0.11 -3.87 -0.43 -0.73 1.38 -3.43 115.58 108.61 1x3b h ASN 38 Ca -0.00 -0.04 -0.47 0.00 1.87 0.00 0.00 56.30 57.65 1x3b h ASN 38 Cb 0.83 -0.03 -0.02 0.00 0.27 0.00 0.00 38.32 39.37 1x3b h ASN 38 CO 0.02 0.48 0.35 -0.13 -0.37 0.00 0.00 177.43 177.78 1x3b s ARG 39 N -4.21 4.61 0.94 6.67 0.52 0.59 -5.01 118.95 123.06 1x3b s ARG 39 Ca -0.04 1.37 -0.14 0.00 -0.52 0.00 0.00 55.73 56.40 1x3b s ARG 39 Cb 0.14 -2.87 0.00 0.00 0.52 0.00 0.00 34.95 32.75 1x3b s ARG 39 CO 0.74 0.30 0.25 -0.85 0.02 0.00 0.00 175.30 175.77 1x3b n GLU 40 N 0.68 -0.20 0.00 3.54 0.28 -1.26 -4.81 120.64 118.87 1x3b n GLU 40 Ca 0.01 -0.02 0.00 0.00 -0.16 0.00 0.00 57.16 56.99 1x3b n GLU 40 Cb 0.50 -1.74 0.00 0.00 1.43 0.00 0.00 31.44 31.63 1x3b n GLU 40 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1x3b n GLY 41 N 1.78 0.42 3.42 -1.84 0.00 -1.26 -5.05 105.19 102.67 1x3b n GLY 41 Ca 0.06 -1.15 -0.09 0.00 0.00 0.00 0.00 46.02 44.84 1x3b n GLY 41 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1x3b s VAL 42 N -3.00 -0.01 -0.26 1.61 -7.23 -1.21 -3.95 120.40 106.35 1x3b s VAL 42 Ca 0.00 0.05 -0.08 0.00 -1.81 0.00 0.00 61.98 60.14 1x3b s VAL 42 Cb 0.00 -0.77 0.12 0.00 0.56 0.00 0.00 36.38 36.29 1x3b s VAL 42 CO 0.00 0.02 0.55 -0.31 -0.31 0.00 0.00 175.10 175.05 1x3b s TYR 43 N 1.38 -1.14 -0.54 2.82 2.02 -1.26 -4.11 117.35 116.52 1x3b s TYR 43 Ca -0.09 1.91 -0.22 0.00 -0.37 0.00 0.00 57.07 58.30 1x3b s TYR 43 Cb -0.07 0.56 0.05 0.00 -0.40 0.00 0.00 41.96 42.10 1x3b s TYR 43 CO -0.14 -0.62 0.84 0.99 -1.57 0.00 0.00 175.55 175.05 1x3b s THR 44 N 2.77 4.55 0.19 -0.71 2.01 -1.22 -3.66 115.64 119.57 1x3b s THR 44 Ca -0.01 0.00 0.07 0.00 0.31 0.00 0.00 61.69 62.06 1x3b s THR 44 Cb -0.12 -4.47 -0.04 0.00 0.01 0.00 0.00 72.50 67.88 1x3b s THR 44 CO -0.17 -1.02 0.02 -0.69 -0.69 0.00 0.00 174.62 172.07 1x3b s VAL 45 N 3.52 3.79 -0.18 3.82 1.01 -1.23 0.18 120.40 131.30 1x3b s VAL 45 Ca 0.25 -1.47 -0.00 0.00 0.00 0.00 0.00 61.98 60.76 1x3b s VAL 45 Cb -0.15 -2.94 0.05 0.00 0.00 0.00 0.00 36.38 33.34 1x3b s VAL 45 CO 0.16 -0.17 -0.06 -0.36 0.00 0.00 0.00 175.10 174.68 1x3b s PHE 46 N -1.85 1.91 -0.30 5.22 0.08 -1.14 -1.97 117.98 119.92 1x3b s PHE 46 Ca 0.29 -1.27 -0.10 0.00 0.12 0.00 0.00 56.93 55.97 1x3b s PHE 46 Cb -0.09 -1.40 -0.02 0.00 -0.57 0.00 0.00 43.02 40.94 1x3b s PHE 46 CO 0.20 -0.67 0.15 0.00 -0.10 0.00 0.00 175.22 174.80 1x3b s ALA 47 N 1.56 3.31 1.07 5.36 0.00 -1.24 -4.80 121.76 127.03 1x3b s ALA 47 Ca -0.01 -1.31 -0.11 0.00 0.00 0.00 0.00 51.96 50.53 1x3b s ALA 47 Cb -0.16 -2.37 0.16 0.00 0.00 0.00 0.00 23.12 20.75 1x3b s ALA 47 CO -0.08 -0.80 0.73 -0.35 0.00 0.00 0.00 175.76 175.27 1x3b n PRO 48 N 4.99 -1.53 -0.96 0.00 -0.04 -1.26 -1.47 135.00 134.74 1x3b n PRO 48 Ca -0.14 -1.15 -0.05 0.00 -0.04 0.00 0.00 63.50 62.12 1x3b n PRO 48 Cb 0.50 -0.90 0.03 0.00 -0.04 0.00 0.00 33.50 33.08 1x3b n PRO 48 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1x3b n THR 49 N -3.51 0.00 -0.02 0.52 -2.24 -1.16 -4.61 114.28 103.26 1x3b n THR 49 Ca 0.10 -0.33 -0.16 0.00 -2.27 0.00 0.00 64.05 61.39 1x3b n THR 49 Cb 0.35 -1.36 -0.11 0.00 -2.10 0.00 0.00 70.33 67.11 1x3b n THR 49 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 1x3b h ASN 50 N -0.17 0.31 0.19 3.42 2.35 -1.96 -3.10 115.58 116.62 1x3b h ASN 50 Ca -0.08 -0.78 0.00 0.00 -0.55 0.00 0.00 56.30 54.90 1x3b h ASN 50 Cb 0.27 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.54 1x3b h ASN 50 CO 0.08 1.05 0.00 -0.33 -1.65 0.00 0.00 177.43 176.57 1x3b h GLU 51 N -0.39 0.00 0.74 0.81 5.08 -1.95 -2.12 114.58 116.74 1x3b h GLU 51 Ca -0.04 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.28 1x3b h GLU 51 Cb 1.10 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.36 1x3b h GLU 51 CO 0.07 0.00 -0.36 0.00 -1.00 0.00 0.00 179.01 177.72 1x3b h ALA 52 N 2.00 -1.00 -0.42 3.43 0.00 -1.88 -1.30 119.26 120.10 1x3b h ALA 52 Ca 0.00 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.65 1x3b h ALA 52 Cb 0.10 0.39 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1x3b h ALA 52 CO 0.00 -0.97 0.13 0.74 0.00 0.00 0.00 179.25 179.15 1x3b h PHE 53 N -1.18 0.60 0.00 0.00 -1.00 -1.52 -0.96 116.94 112.88 1x3b h PHE 53 Ca -0.10 -0.03 -0.02 0.00 2.81 0.00 0.00 57.97 60.63 1x3b h PHE 53 Cb 0.79 -0.19 -0.00 0.00 3.61 0.00 0.00 35.95 40.16 1x3b h PHE 53 CO -0.00 0.50 -0.09 0.00 -1.61 0.00 0.00 178.31 177.11 1x3b h ARG 54 N 0.59 0.00 -0.08 1.51 3.08 -1.28 -2.10 114.38 116.10 1x3b h ARG 54 Ca 0.14 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 60.03 1x3b h ARG 54 Cb 0.18 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.24 1x3b h ARG 54 CO -0.01 0.09 -0.58 0.00 -1.07 0.00 0.00 179.97 178.40 1x3b h ALA 55 N 1.91 0.18 -1.52 0.04 0.00 0.04 -3.46 119.26 116.45 1x3b h ALA 55 Ca -0.00 -0.54 -0.64 0.00 0.00 0.00 0.00 54.91 53.73 1x3b h ALA 55 Cb 0.27 0.00 0.13 0.00 0.00 0.00 0.00 17.79 18.20 1x3b h ALA 55 CO 0.01 0.43 -0.59 1.28 0.00 0.00 0.00 179.25 180.37 1x3b n LEU 56 N -4.18 -1.31 -4.81 0.00 4.77 -0.79 -4.91 117.00 105.77 1x3b n LEU 56 Ca -0.09 0.98 -0.30 0.00 -0.03 0.00 0.00 56.01 56.57 1x3b n LEU 56 Cb 0.65 -0.99 0.08 0.00 -2.33 0.00 0.00 43.42 40.82 1x3b n LEU 56 CO 0.48 -3.26 0.71 -2.16 -1.33 0.00 0.00 177.39 171.83 1x3b s PRO 57 N -1.16 2.40 0.00 3.23 0.04 -1.26 -4.85 135.00 133.40 1x3b s PRO 57 Ca 0.62 0.76 0.23 0.00 0.04 0.00 0.00 61.00 62.64 1x3b s PRO 57 Cb -0.74 -1.95 1.36 0.00 0.04 0.00 0.00 34.50 33.21 1x3b s PRO 57 CO 0.59 -1.43 1.74 -0.35 0.04 0.00 0.00 177.00 177.60 1x3b n PRO 58 N -3.32 0.75 -0.09 0.56 -0.04 -1.26 -0.82 135.00 130.78 1x3b n PRO 58 Ca 0.07 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.41 1x3b n PRO 58 Cb 0.55 -1.47 -0.15 0.00 -0.04 0.00 0.00 33.50 32.39 1x3b n PRO 58 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1x3b n ARG 59 N -0.97 0.68 0.03 0.54 3.00 -1.26 -4.27 116.66 114.40 1x3b n ARG 59 Ca 0.17 0.07 0.11 0.00 -0.01 0.00 0.00 57.85 58.19 1x3b n ARG 59 Cb 0.08 -1.56 -0.06 0.00 0.00 0.00 0.00 32.46 30.92 1x3b n ARG 59 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 1x3b n GLU 60 N -2.93 0.46 0.00 5.56 2.13 -1.06 -3.95 120.64 120.85 1x3b n GLU 60 Ca -0.34 -0.05 0.00 0.00 0.66 0.00 0.00 57.16 57.43 1x3b n GLU 60 Cb 1.10 -1.61 0.00 0.00 0.27 0.00 0.00 31.44 31.21 1x3b n GLU 60 CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59 1x3b n ARG 61 N -2.17 0.00 0.20 5.31 0.63 0.00 -2.47 116.66 118.17 1x3b n ARG 61 Ca -0.00 0.32 0.18 0.00 -0.92 0.00 0.00 57.85 57.42 1x3b n ARG 61 Cb 0.50 -1.21 0.76 0.00 0.45 0.00 0.00 32.46 32.96 1x3b n ARG 61 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 1x3b h SER 62 N 0.00 0.00 0.10 6.15 0.87 -1.80 0.32 113.55 119.19 1x3b h SER 62 Ca 0.00 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1x3b h SER 62 Cb 0.00 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 61.96 1x3b h SER 62 CO 0.00 0.00 -0.06 0.03 -0.53 0.00 0.00 176.83 176.27 1x3b h ARG 63 N 0.00 -0.15 -0.11 2.24 2.47 -1.65 1.45 114.38 118.64 1x3b h ARG 63 Ca 0.11 0.01 -0.02 0.00 -1.26 0.00 0.00 59.98 58.82 1x3b h ARG 63 Cb 0.93 0.03 -0.00 0.00 -1.65 0.00 0.00 29.97 29.28 1x3b h ARG 63 CO -0.00 -0.10 0.01 -0.07 0.56 0.00 0.00 179.97 180.37 1x3b h LEU 64 N -0.15 0.18 -1.58 3.04 3.38 -1.09 0.34 115.31 119.43 1x3b h LEU 64 Ca -0.01 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.66 1x3b h LEU 64 Cb 0.12 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1x3b h LEU 64 CO 0.01 0.43 0.00 -0.07 0.09 0.00 0.00 178.44 178.90 1x3b h LEU 65 N -0.08 0.00 0.00 1.67 3.38 -1.00 -3.32 115.31 115.96 1x3b h LEU 65 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1x3b h LEU 65 Cb 0.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1x3b h LEU 65 CO 0.00 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.14 1x3b n GLY 66 N -1.14 -0.05 3.77 0.83 0.00 0.50 -4.97 105.19 104.12 1x3b n GLY 66 Ca -0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.60 1x3b n GLY 66 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1x3b s ASP 67 N -1.00 6.17 -0.16 1.61 2.15 0.11 -4.94 116.67 120.61 1x3b s ASP 67 Ca 0.00 2.95 -0.20 0.00 0.43 0.00 0.00 52.55 55.73 1x3b s ASP 67 Cb 0.00 -2.66 -0.23 0.00 -0.30 0.00 0.00 42.92 39.73 1x3b s ASP 67 CO 0.00 -0.98 0.40 0.00 -0.17 0.00 0.00 175.17 174.42 1x3b h ALA 68 N 2.72 0.22 -0.18 3.66 0.00 -1.86 -3.19 119.26 120.63 1x3b h ALA 68 Ca -0.51 -1.09 0.02 0.00 0.00 0.00 0.00 54.91 53.33 1x3b h ALA 68 Cb 1.25 0.56 -0.02 0.00 0.00 0.00 0.00 17.79 19.57 1x3b h ALA 68 CO 0.63 0.68 -0.14 0.87 0.00 0.00 0.00 179.25 181.29 1x3b h LYS 69 N -0.73 -0.04 -0.97 0.00 1.79 -1.94 0.40 116.57 115.09 1x3b h LYS 69 Ca -0.29 0.00 0.18 0.00 -2.18 0.00 0.00 60.65 58.36 1x3b h LYS 69 Cb 1.44 0.01 -0.10 0.00 -1.58 0.00 0.00 32.23 31.99 1x3b h LYS 69 CO -0.08 -0.02 0.57 0.93 -1.08 0.00 0.00 179.45 179.76 1x3b h GLU 70 N -0.04 0.71 0.00 3.15 5.08 -1.94 0.37 114.58 121.92 1x3b h GLU 70 Ca 0.03 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1x3b h GLU 70 Cb 0.11 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.20 1x3b h GLU 70 CO -0.19 0.47 0.00 -0.11 -1.00 0.00 0.00 179.01 178.18 1x3b n LEU 71 N -4.79 0.00 -0.33 1.33 0.00 0.11 -0.72 117.00 112.60 1x3b n LEU 71 Ca 0.22 0.99 0.18 0.00 0.00 0.00 0.00 56.01 57.40 1x3b n LEU 71 Cb 0.53 -0.49 0.42 0.00 0.00 0.00 0.00 43.42 43.89 1x3b n LEU 71 CO 0.21 -0.49 1.20 0.00 0.00 0.00 0.00 177.39 178.31 1x3b h ALA 72 N -1.52 1.96 -0.67 1.96 0.00 -0.29 0.41 119.26 121.11 1x3b h ALA 72 Ca 0.00 0.07 0.13 0.00 0.00 0.00 0.00 54.91 55.11 1x3b h ALA 72 Cb 0.00 -0.02 -0.09 0.00 0.00 0.00 0.00 17.79 17.68 1x3b h ALA 72 CO 0.00 -0.36 0.18 -0.97 0.00 0.00 0.00 179.25 178.10 1x3b h ASN 73 N 0.55 0.07 0.11 0.00 -0.73 0.44 1.49 115.58 117.52 1x3b h ASN 73 Ca 0.58 0.12 -0.01 0.00 1.87 0.00 0.00 56.30 58.87 1x3b h ASN 73 Cb 1.21 0.15 0.00 0.00 0.27 0.00 0.00 38.32 39.95 1x3b h ASN 73 CO -0.34 0.02 -0.06 0.40 -0.37 0.00 0.00 177.43 177.08 1x3b h ILE 74 N 0.30 1.08 -0.28 2.57 1.08 0.20 -2.56 117.51 119.91 1x3b h ILE 74 Ca 0.36 -1.02 0.07 0.00 -0.39 0.00 0.00 64.86 63.87 1x3b h ILE 74 Cb 0.55 1.70 -0.07 0.00 -3.07 0.00 0.00 36.82 35.93 1x3b h ILE 74 CO -0.43 0.24 -0.25 -0.07 -0.69 0.00 0.00 178.15 176.95 1x3b h LEU 75 N -0.65 -0.80 -0.49 1.44 3.38 -0.21 0.21 115.31 118.18 1x3b h LEU 75 Ca -0.02 0.15 0.09 0.00 0.09 0.00 0.00 57.88 58.20 1x3b h LEU 75 Cb 0.51 0.38 -0.10 0.00 0.09 0.00 0.00 40.66 41.54 1x3b h LEU 75 CO 0.03 -0.28 -0.31 0.11 0.09 0.00 0.00 178.44 178.08 1x3b h LYS 76 N -0.24 -0.19 0.00 1.13 1.57 0.20 1.23 116.57 120.28 1x3b h LYS 76 Ca 0.15 0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.94 1x3b h LYS 76 Cb 0.47 0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.82 1x3b h LYS 76 CO -0.42 -0.12 -0.01 -0.92 -0.57 0.00 0.00 179.45 177.41 1x3b h TYR 77 N -0.19 0.00 0.00 -1.35 3.20 -0.75 0.15 116.97 118.03 1x3b h TYR 77 Ca 0.21 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.08 1x3b h TYR 77 Cb 0.53 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.80 1x3b h TYR 77 CO -0.57 0.01 -0.41 0.45 -1.64 0.00 0.00 178.16 176.00 1x3b h HIS 78 N 0.00 0.00 -3.03 -3.82 3.86 0.45 -3.45 115.15 109.15 1x3b h HIS 78 Ca -0.00 0.00 -0.64 0.00 -1.16 0.00 0.00 60.37 58.57 1x3b h HIS 78 Cb 0.12 0.00 -0.08 0.00 1.06 0.00 0.00 27.41 28.50 1x3b h HIS 78 CO 0.00 0.00 -0.55 0.42 0.86 0.00 0.00 177.93 178.66 1x3b s ILE 79 N -3.24 4.91 0.50 2.45 1.01 0.76 -2.90 121.20 124.70 1x3b s ILE 79 Ca 0.05 -0.42 0.05 0.00 0.00 0.00 0.00 60.65 60.34 1x3b s ILE 79 Cb 0.08 -3.30 0.00 0.00 0.01 0.00 0.00 42.46 39.26 1x3b s ILE 79 CO 0.71 0.28 0.28 -0.83 0.00 0.00 0.00 174.94 175.38 1x3b s GLY 80 N -1.97 2.47 -0.47 6.18 0.00 0.13 -3.52 107.32 110.13 1x3b s GLY 80 Ca 0.26 -1.33 0.04 0.00 0.00 0.00 0.00 44.72 43.69 1x3b s GLY 80 CO 0.18 -1.97 1.39 1.34 0.00 0.00 0.00 173.10 174.04 1x3b n ASP 81 N -1.54 5.59 0.00 1.64 2.03 0.33 -3.49 116.55 121.11 1x3b n ASP 81 Ca -0.04 -3.76 0.00 0.00 0.52 0.00 0.00 54.79 51.51 1x3b n ASP 81 Cb 0.65 -0.57 0.00 0.00 -0.72 0.00 0.00 41.12 40.47 1x3b n ASP 81 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 1x3b n GLU 82 N -0.63 0.00 -3.23 -0.67 0.28 -1.26 -4.85 120.64 110.28 1x3b n GLU 82 Ca 0.46 0.00 -0.40 0.00 -0.16 0.00 0.00 57.16 57.06 1x3b n GLU 82 Cb 0.71 0.00 -0.07 0.00 1.43 0.00 0.00 31.44 33.51 1x3b n GLU 82 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 1x3b s ILE 83 N -2.00 5.08 -0.14 3.84 -1.09 -1.26 -3.44 121.20 122.18 1x3b s ILE 83 Ca 0.00 0.91 0.01 0.00 -2.23 0.00 0.00 60.65 59.34 1x3b s ILE 83 Cb 0.00 -3.84 0.02 0.00 -1.58 0.00 0.00 42.46 37.07 1x3b s ILE 83 CO 0.00 0.11 -0.14 -0.22 -1.23 0.00 0.00 174.94 173.45 1x3b s LEU 84 N 2.14 1.70 0.14 2.97 0.20 -1.26 -5.09 118.68 119.47 1x3b s LEU 84 Ca 0.22 -0.48 0.02 0.00 0.69 0.00 0.00 54.13 54.58 1x3b s LEU 84 Cb -0.16 -1.18 -0.04 0.00 -0.43 0.00 0.00 46.19 44.38 1x3b s LEU 84 CO 0.09 -0.05 -0.04 0.68 -0.29 0.00 0.00 176.35 176.75 1x3b s VAL 85 N 1.42 0.74 -0.89 1.68 -7.23 -1.26 -4.88 120.40 109.99 1x3b s VAL 85 Ca 0.04 -1.97 -0.08 0.00 -1.81 0.00 0.00 61.98 58.16 1x3b s VAL 85 Cb -0.13 -1.90 -0.06 0.00 0.56 0.00 0.00 36.38 34.84 1x3b s VAL 85 CO -0.10 -0.68 2.07 -1.54 -0.31 0.00 0.00 175.10 174.54 1x3b n SER 86 N -0.15 4.51 -3.22 4.85 3.41 -1.26 -4.50 113.62 117.27 1x3b n SER 86 Ca -0.09 -2.37 -0.18 0.00 -0.26 0.00 0.00 58.87 55.96 1x3b n SER 86 Cb 0.62 -1.09 -0.07 0.00 -0.26 0.00 0.00 64.21 63.41 1x3b n SER 86 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1x3b s GLY 87 N 3.66 0.23 0.00 5.00 0.00 -1.26 -4.91 107.32 110.04 1x3b s GLY 87 Ca 0.41 -1.54 0.00 0.00 0.00 0.00 0.00 44.72 43.60 1x3b s GLY 87 CO -0.01 2.69 0.00 0.61 0.00 0.00 0.00 173.10 176.39 1x3b n GLY 88 N 3.24 0.70 3.26 0.20 0.00 -1.26 -5.09 105.19 106.24 1x3b n GLY 88 Ca 0.22 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.83 1x3b n GLY 88 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1x3b s ILE 89 N -0.89 4.29 0.28 -0.61 -1.09 -1.26 -4.94 121.20 116.97 1x3b s ILE 89 Ca 0.00 -1.47 -0.02 0.00 -2.23 0.00 0.00 60.65 56.94 1x3b s ILE 89 Cb 0.00 -3.67 0.27 0.00 -1.58 0.00 0.00 42.46 37.48 1x3b s ILE 89 CO 0.00 -0.57 1.89 1.23 -1.23 0.00 0.00 174.94 176.26 1x3b h GLY 90 N 8.44 1.47 0.00 6.18 0.00 -1.98 -3.46 103.07 113.73 1x3b h GLY 90 Ca -0.23 -0.46 0.00 0.00 0.00 0.00 0.00 47.33 46.64 1x3b h GLY 90 CO 0.79 0.33 0.00 0.00 0.00 0.00 0.00 176.54 177.66 1x3b n ALA 91 N -2.37 0.00 -2.98 3.60 0.00 -1.26 -5.07 120.51 112.42 1x3b n ALA 91 Ca 0.15 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.48 1x3b n ALA 91 Cb 0.19 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.52 1x3b n ALA 91 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1x3b s LEU 92 N -6.10 1.93 0.04 0.00 2.96 -1.26 -3.13 118.68 113.11 1x3b s LEU 92 Ca 0.00 -0.20 0.02 0.00 -0.22 0.00 0.00 54.13 53.73 1x3b s LEU 92 Cb 0.00 0.25 -0.02 0.00 0.50 0.00 0.00 46.19 46.92 1x3b s LEU 92 CO 0.00 -0.20 -0.08 -0.69 -1.32 0.00 0.00 176.35 174.06 1x3b s VAL 93 N -0.85 0.54 -0.41 1.68 1.01 -0.21 -5.00 120.40 117.16 1x3b s VAL 93 Ca -0.09 -0.96 -0.10 0.00 0.00 0.00 0.00 61.98 60.83 1x3b s VAL 93 Cb -0.06 -0.58 0.06 0.00 0.00 0.00 0.00 36.38 35.80 1x3b s VAL 93 CO -0.00 -0.30 0.25 -0.13 0.00 0.00 0.00 175.10 174.91 1x3b s ARG 94 N -1.37 2.68 -0.35 2.72 0.52 -1.26 -1.86 118.95 120.03 1x3b s ARG 94 Ca -0.08 -1.34 -0.21 0.00 -0.52 0.00 0.00 55.73 53.58 1x3b s ARG 94 Cb -0.09 -3.77 0.00 0.00 0.52 0.00 0.00 34.95 31.61 1x3b s ARG 94 CO 0.00 -0.88 0.65 -1.17 0.02 0.00 0.00 175.30 173.93 1x3b s LEU 95 N 1.47 4.22 0.12 2.53 0.20 0.16 -4.90 118.68 122.48 1x3b s LEU 95 Ca 0.02 0.23 -0.31 0.00 0.69 0.00 0.00 54.13 54.76 1x3b s LEU 95 Cb -0.22 -2.82 -0.08 0.00 -0.43 0.00 0.00 46.19 42.64 1x3b s LEU 95 CO 0.04 -0.59 1.36 -0.75 -0.29 0.00 0.00 176.35 176.12 1x3b s LYS 96 N 2.74 4.34 0.08 1.98 2.20 -1.26 0.11 119.74 129.92 1x3b s LYS 96 Ca 0.25 2.05 0.03 0.00 -0.36 0.00 0.00 55.97 57.94 1x3b s LYS 96 Cb -0.14 -3.25 -0.04 0.00 -1.51 0.00 0.00 37.83 32.89 1x3b s LYS 96 CO 0.14 -0.40 0.07 -1.54 -0.36 0.00 0.00 175.35 173.27 1x3b s SER 97 N 0.98 5.50 0.14 1.43 1.04 -1.19 0.12 113.70 121.73 1x3b s SER 97 Ca 0.63 -0.01 -0.18 0.00 0.48 0.00 0.00 55.95 56.86 1x3b s SER 97 Cb -0.36 -1.47 -0.02 0.00 0.10 0.00 0.00 66.02 64.26 1x3b s SER 97 CO 0.31 0.18 1.78 -0.07 0.98 0.00 0.00 173.24 176.42 1x3b h LEU 98 N 3.32 0.28 -1.52 2.42 -0.00 -1.70 -1.42 115.31 116.69 1x3b h LEU 98 Ca -0.47 -0.00 0.38 0.00 -0.00 0.00 0.00 57.88 57.80 1x3b h LEU 98 Cb 1.16 -0.06 -0.10 0.00 -0.00 0.00 0.00 40.66 41.66 1x3b h LEU 98 CO 0.65 0.20 0.84 -0.61 -0.00 0.00 0.00 178.44 179.53 1x3b h GLN 99 N 0.35 0.15 0.00 1.13 -0.00 -1.84 -3.45 115.11 111.45 1x3b h GLN 99 Ca 0.11 -0.01 0.00 0.00 -0.00 0.00 0.00 58.65 58.75 1x3b h GLN 99 Cb -0.01 -0.03 0.00 0.00 0.00 0.00 0.00 27.48 27.43 1x3b h GLN 99 CO -0.05 0.10 0.00 0.41 0.00 0.00 0.00 178.83 179.30 1x3b n GLY 100 N -1.57 3.73 3.74 2.39 0.00 -0.54 -4.98 105.19 107.96 1x3b n GLY 100 Ca 0.33 -0.88 -0.42 0.00 0.00 0.00 0.00 46.02 45.05 1x3b n GLY 100 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1x3b s ASP 101 N 0.00 6.67 0.09 1.61 1.01 -1.26 -4.56 116.67 120.23 1x3b s ASP 101 Ca 0.00 2.62 -0.30 0.00 0.71 0.00 0.00 52.55 55.59 1x3b s ASP 101 Cb 0.00 -2.62 -0.05 0.00 1.01 0.00 0.00 42.92 41.26 1x3b s ASP 101 CO 0.00 -0.71 0.95 -0.54 0.21 0.00 0.00 175.17 175.08 1x3b s LYS 102 N -0.03 4.67 0.07 8.23 3.01 -1.26 -3.16 119.74 131.27 1x3b s LYS 102 Ca 0.61 1.41 -0.13 0.00 -1.01 0.00 0.00 55.97 56.86 1x3b s LYS 102 Cb -0.42 -3.38 -0.06 0.00 -1.01 0.00 0.00 37.83 32.96 1x3b s LYS 102 CO 0.40 0.19 0.45 -0.51 0.51 0.00 0.00 175.35 176.39 1x3b s LEU 103 N 0.10 4.39 -0.19 3.17 1.43 0.30 -4.90 118.68 122.98 1x3b s LEU 103 Ca 0.47 0.93 -0.08 0.00 -1.03 0.00 0.00 54.13 54.41 1x3b s LEU 103 Cb -0.23 -2.94 -0.04 0.00 0.03 0.00 0.00 46.19 43.01 1x3b s LEU 103 CO 0.29 0.20 0.09 -1.61 0.23 0.00 0.00 176.35 175.55 1x3b s GLU 104 N -1.67 4.03 -0.05 1.70 2.02 -1.26 0.37 118.70 123.84 1x3b s GLU 104 Ca 0.31 -0.29 -0.02 0.00 0.02 0.00 0.00 54.97 54.99 1x3b s GLU 104 Cb -0.15 -3.28 0.04 0.00 0.10 0.00 0.00 34.13 30.83 1x3b s GLU 104 CO 0.17 0.30 0.09 0.08 0.02 0.00 0.00 175.26 175.92 1x3b s VAL 105 N 0.31 -0.11 0.34 2.63 1.01 -0.78 -1.82 120.40 121.98 1x3b s VAL 105 Ca 0.05 0.30 0.05 0.00 0.00 0.00 0.00 61.98 62.39 1x3b s VAL 105 Cb -0.12 -0.17 -0.03 0.00 0.00 0.00 0.00 36.38 36.06 1x3b s VAL 105 CO -0.01 0.13 0.22 -0.94 0.00 0.00 0.00 175.10 174.50 1x3b s SER 106 N 1.66 1.89 -0.22 3.32 1.04 -1.22 -1.04 113.70 119.13 1x3b s SER 106 Ca -0.03 -1.70 -0.04 0.00 0.48 0.00 0.00 55.95 54.67 1x3b s SER 106 Cb -0.12 0.52 0.07 0.00 0.10 0.00 0.00 66.02 66.59 1x3b s SER 106 CO -0.04 -1.00 0.08 -0.22 0.98 0.00 0.00 173.24 173.04 1x3b s LEU 107 N -3.43 0.88 0.01 2.42 2.96 -1.18 -3.22 118.68 117.12 1x3b s LEU 107 Ca 0.35 -0.95 0.03 0.00 -0.22 0.00 0.00 54.13 53.35 1x3b s LEU 107 Cb 0.03 -0.46 -0.01 0.00 0.50 0.00 0.00 46.19 46.25 1x3b s LEU 107 CO 0.22 -0.36 -0.09 -0.75 -1.32 0.00 0.00 176.35 174.05 1x3b s LYS 108 N 1.98 0.69 -1.64 1.98 2.20 -0.49 -4.72 119.74 119.73 1x3b s LYS 108 Ca 0.03 -0.47 0.00 0.00 -0.36 0.00 0.00 55.97 55.17 1x3b s LYS 108 Cb -0.17 -0.64 0.00 0.00 -1.51 0.00 0.00 37.83 35.52 1x3b s LYS 108 CO -0.17 0.16 0.00 0.09 -0.36 0.00 0.00 175.35 175.08 1x3b n ASN 109 N 2.42 -4.60 -0.31 1.43 4.13 -1.26 0.14 115.26 117.21 1x3b n ASN 109 Ca -0.16 0.38 -0.04 0.00 1.68 0.00 0.00 54.58 56.44 1x3b n ASN 109 Cb 0.56 -3.99 -0.02 0.00 -1.54 0.00 0.00 39.78 34.80 1x3b n ASN 109 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 1x3b n ASN 110 N -0.90 -3.63 -4.45 6.41 2.85 -1.26 -5.01 115.26 109.27 1x3b n ASN 110 Ca -0.15 0.10 -0.33 0.00 -0.11 0.00 0.00 54.58 54.09 1x3b n ASN 110 Cb 0.55 -1.49 -0.13 0.00 1.24 0.00 0.00 39.78 39.95 1x3b n ASN 110 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 1x3b s VAL 111 N -2.10 3.00 -0.10 3.44 1.01 0.38 -5.12 120.40 120.92 1x3b s VAL 111 Ca 0.00 -0.73 -0.06 0.00 0.00 0.00 0.00 61.98 61.19 1x3b s VAL 111 Cb 0.00 -2.19 -0.04 0.00 0.00 0.00 0.00 36.38 34.15 1x3b s VAL 111 CO 0.00 0.58 0.13 -0.69 0.00 0.00 0.00 175.10 175.12 1x3b s VAL 112 N -0.50 5.36 0.08 2.92 1.01 -1.26 -1.40 120.40 126.60 1x3b s VAL 112 Ca 0.07 0.09 0.04 0.00 0.00 0.00 0.00 61.98 62.17 1x3b s VAL 112 Cb -0.12 -3.36 -0.03 0.00 0.00 0.00 0.00 36.38 32.87 1x3b s VAL 112 CO 0.02 0.56 -0.11 -0.44 0.00 0.00 0.00 175.10 175.13 1x3b s SER 113 N -1.18 1.39 -0.21 3.32 0.01 -1.20 -2.82 113.70 113.01 1x3b s SER 113 Ca 0.17 -0.70 -0.04 0.00 1.31 0.00 0.00 55.95 56.68 1x3b s SER 113 Cb -0.12 -0.00 0.07 0.00 0.21 0.00 0.00 66.02 66.18 1x3b s SER 113 CO 0.06 -0.20 0.10 0.54 0.41 0.00 0.00 173.24 174.15 1x3b s VAL 114 N -1.90 0.02 -0.64 3.43 0.11 -0.28 -3.39 120.40 117.76 1x3b s VAL 114 Ca 0.00 -0.42 0.00 0.00 -2.93 0.00 0.00 61.98 58.63 1x3b s VAL 114 Cb -0.06 -0.78 0.00 0.00 -1.53 0.00 0.00 36.38 34.01 1x3b s VAL 114 CO 0.01 -0.41 0.00 0.59 -3.33 0.00 0.00 175.10 171.96 1x3b n ASN 115 N 5.23 -2.84 -0.77 3.54 3.02 -0.76 -2.53 115.26 120.15 1x3b n ASN 115 Ca -0.07 0.01 -0.07 0.00 -0.03 0.00 0.00 54.58 54.43 1x3b n ASN 115 Cb 0.47 -2.04 -0.00 0.00 -0.61 0.00 0.00 39.78 37.60 1x3b n ASN 115 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1x3b n LYS 116 N -1.82 -0.57 -4.83 3.52 5.02 -1.26 -5.03 118.16 113.19 1x3b n LYS 116 Ca -0.08 0.32 -0.28 0.00 -2.02 0.00 0.00 58.31 56.25 1x3b n LYS 116 Cb 0.53 -4.19 -0.15 0.00 -0.02 0.00 0.00 35.03 31.21 1x3b n LYS 116 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1x3b s GLU 117 N -4.35 1.61 0.16 1.97 2.02 -1.05 -5.12 118.70 113.94 1x3b s GLU 117 Ca 0.00 -0.95 -0.30 0.00 0.02 0.00 0.00 54.97 53.74 1x3b s GLU 117 Cb -0.00 -1.70 -0.07 0.00 0.10 0.00 0.00 34.13 32.46 1x3b s GLU 117 CO 0.00 0.44 1.12 -1.25 0.02 0.00 0.00 175.26 175.60 1x3b s PRO 118 N -1.03 4.56 0.26 0.39 0.04 -1.26 -1.12 135.00 136.84 1x3b s PRO 118 Ca 0.09 1.74 -0.05 0.00 0.04 0.00 0.00 61.00 62.82 1x3b s PRO 118 Cb -0.09 -3.28 -0.05 0.00 0.04 0.00 0.00 34.50 31.11 1x3b s PRO 118 CO 0.01 0.01 0.53 0.08 0.04 0.00 0.00 177.00 177.67 1x3b s VAL 119 N -0.05 5.03 -0.01 -0.36 1.01 -1.13 -2.79 120.40 122.11 1x3b s VAL 119 Ca 0.51 0.09 -0.00 0.00 0.00 0.00 0.00 61.98 62.58 1x3b s VAL 119 Cb -0.30 -3.71 -0.00 0.00 0.00 0.00 0.00 36.38 32.38 1x3b s VAL 119 CO 0.34 -0.25 -0.00 0.00 0.00 0.00 0.00 175.10 175.19 1x3b h ALA 120 N 1.92 0.00 -2.13 5.51 0.00 0.40 -3.44 119.26 121.52 1x3b h ALA 120 Ca -0.47 -0.09 -0.46 0.00 0.00 0.00 0.00 54.91 53.88 1x3b h ALA 120 Cb 1.18 0.01 -0.33 0.00 0.00 0.00 0.00 17.79 18.65 1x3b h ALA 120 CO 0.67 0.01 -0.79 -1.21 0.00 0.00 0.00 179.25 177.94 1x3b s GLU 121 N -1.04 0.73 1.08 0.00 2.02 -0.78 -4.99 118.70 115.72 1x3b s GLU 121 Ca -0.00 -1.33 -0.18 0.00 0.02 0.00 0.00 54.97 53.49 1x3b s GLU 121 Cb 0.00 -0.98 0.24 0.00 0.10 0.00 0.00 34.13 33.49 1x3b s GLU 121 CO 0.00 -1.26 1.22 -1.25 0.02 0.00 0.00 175.26 173.99 1x3b s PRO 122 N 0.93 -0.28 -0.21 0.39 0.04 -1.26 -3.13 135.00 131.47 1x3b s PRO 122 Ca 0.23 -0.24 -0.01 0.00 0.04 0.00 0.00 61.00 61.01 1x3b s PRO 122 Cb -0.11 -1.72 -0.01 0.00 0.04 0.00 0.00 34.50 32.70 1x3b s PRO 122 CO -0.06 -3.06 0.19 -3.47 0.04 0.00 0.00 177.00 170.64 1x3b n ASP 123 N -4.26 -3.04 -4.04 6.66 2.03 -1.22 -4.92 116.55 107.76 1x3b n ASP 123 Ca 0.14 -0.13 -0.34 0.00 0.52 0.00 0.00 54.79 54.99 1x3b n ASP 123 Cb 0.59 -1.58 -0.12 0.00 -0.72 0.00 0.00 41.12 39.30 1x3b n ASP 123 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1x3b s ILE 124 N -3.07 3.12 0.17 5.18 1.01 -0.28 -4.97 121.20 122.36 1x3b s ILE 124 Ca 0.08 -2.86 -0.31 0.00 0.00 0.00 0.00 60.65 57.57 1x3b s ILE 124 Cb -0.01 -3.11 -0.09 0.00 0.01 0.00 0.00 42.46 39.26 1x3b s ILE 124 CO 0.16 -0.79 1.38 -0.04 0.00 0.00 0.00 174.94 175.64 1x3b s MET 125 N 0.17 4.33 0.00 2.79 -1.94 -1.26 -0.47 119.30 122.92 1x3b s MET 125 Ca 0.15 2.11 0.00 0.00 -1.71 0.00 0.00 55.69 56.24 1x3b s MET 125 Cb -0.22 -3.20 0.00 0.00 2.01 0.00 0.00 34.83 33.41 1x3b s MET 125 CO -0.03 -0.37 0.00 0.00 -0.01 0.00 0.00 175.02 174.61 1x3b n ALA 126 N 3.23 0.00 1.01 3.03 0.00 0.45 -4.94 120.51 123.29 1x3b n ALA 126 Ca 0.09 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.65 1x3b n ALA 126 Cb 0.42 0.00 0.29 0.00 0.00 0.00 0.00 19.45 20.16 1x3b n ALA 126 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1x3b n THR 127 N -0.28 0.00 -2.65 0.00 -2.24 -1.25 -4.41 114.28 103.44 1x3b n THR 127 Ca 0.00 -0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.74 1x3b n THR 127 Cb 0.00 0.18 0.05 0.00 -2.10 0.00 0.00 70.33 68.46 1x3b n THR 127 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1x3b n ASN 128 N -1.47 -1.28 0.00 3.42 6.94 -1.26 -4.96 115.26 116.65 1x3b n ASN 128 Ca 0.06 -1.90 0.00 0.00 -0.02 0.00 0.00 54.58 52.72 1x3b n ASN 128 Cb 0.34 0.84 0.00 0.00 -2.36 0.00 0.00 39.78 38.59 1x3b n ASN 128 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1x3b n GLY 129 N -0.62 -1.04 3.23 4.83 0.00 -1.25 -3.35 105.19 106.99 1x3b n GLY 129 Ca -0.15 -1.18 -0.13 0.00 0.00 0.00 0.00 46.02 44.56 1x3b n GLY 129 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x3b s VAL 130 N -3.00 0.16 -0.01 1.61 0.11 -1.24 -0.41 120.40 117.61 1x3b s VAL 130 Ca 0.00 -2.00 -0.13 0.00 -2.93 0.00 0.00 61.98 56.92 1x3b s VAL 130 Cb 0.00 -2.54 0.02 0.00 -1.53 0.00 0.00 36.38 32.33 1x3b s VAL 130 CO 0.00 -0.00 0.26 -0.69 -3.33 0.00 0.00 175.10 171.34 1x3b s VAL 131 N -4.04 0.06 -0.27 2.04 1.01 0.38 -3.51 120.40 116.06 1x3b s VAL 131 Ca 0.39 -0.50 -0.03 0.00 0.00 0.00 0.00 61.98 61.83 1x3b s VAL 131 Cb 0.07 -0.56 0.09 0.00 0.00 0.00 0.00 36.38 35.99 1x3b s VAL 131 CO 0.12 -0.28 0.11 -1.00 0.00 0.00 0.00 175.10 174.06 1x3b s HIS 132 N -1.26 0.66 0.07 5.22 3.76 -0.83 -1.12 115.29 121.78 1x3b s HIS 132 Ca -0.13 -0.99 -0.31 0.00 -0.15 0.00 0.00 55.06 53.48 1x3b s HIS 132 Cb -0.06 -1.06 -0.10 0.00 1.11 0.00 0.00 32.58 32.48 1x3b s HIS 132 CO 0.03 -0.78 1.92 0.28 -0.85 0.00 0.00 174.74 175.34 1x3b n VAL 133 N 5.15 0.60 -3.31 -0.90 0.31 -1.19 -3.60 118.33 115.39 1x3b n VAL 133 Ca -0.06 -0.11 -0.18 0.00 -0.01 0.00 0.00 64.34 63.98 1x3b n VAL 133 Cb 0.43 -2.23 -0.00 0.00 -0.91 0.00 0.00 33.84 31.13 1x3b n VAL 133 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 1x3b s ILE 134 N 3.74 3.54 -0.35 2.52 -4.36 -0.54 0.28 121.20 126.04 1x3b s ILE 134 Ca 0.86 -1.04 0.06 0.00 -0.26 0.00 0.00 60.65 60.27 1x3b s ILE 134 Cb -0.46 -3.21 0.46 0.00 1.25 0.00 0.00 42.46 40.50 1x3b s ILE 134 CO 0.40 -0.09 1.33 0.35 0.24 0.00 0.00 174.94 177.18 1x3b n THR 135 N -1.70 2.69 0.00 8.37 -2.24 -1.12 -2.98 114.28 117.30 1x3b n THR 135 Ca 0.03 -3.94 0.00 0.00 -2.27 0.00 0.00 64.05 57.87 1x3b n THR 135 Cb 0.59 -1.09 0.00 0.00 -2.10 0.00 0.00 70.33 67.73 1x3b n THR 135 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1x3b n ASN 136 N -0.77 0.00 -4.63 3.42 3.02 -1.26 -4.88 115.26 110.16 1x3b n ASN 136 Ca 0.46 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 54.58 1x3b n ASN 136 Cb 0.91 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 40.06 1x3b n ASN 136 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1x3b s VAL 137 N -1.97 4.35 0.79 2.41 1.01 -1.26 -4.69 120.40 121.03 1x3b s VAL 137 Ca 0.00 1.54 -0.12 0.00 0.00 0.00 0.00 61.98 63.40 1x3b s VAL 137 Cb 0.00 -4.35 0.07 0.00 0.00 0.00 0.00 36.38 32.10 1x3b s VAL 137 CO 0.00 -0.53 1.13 -0.76 0.00 0.00 0.00 175.10 174.94 1x3b s LEU 138 N 3.97 3.08 -0.01 3.92 1.43 -1.26 -5.06 118.68 124.75 1x3b s LEU 138 Ca 0.49 2.04 -0.06 0.00 -1.03 0.00 0.00 54.13 55.58 1x3b s LEU 138 Cb -0.13 -4.55 0.00 0.00 0.03 0.00 0.00 46.19 41.54 1x3b s LEU 138 CO 0.20 -2.31 0.12 -1.10 0.23 0.00 0.00 176.35 173.48 1x3b s GLN 139 N -4.54 0.37 0.41 1.70 -0.21 -1.26 -5.07 119.66 111.05 1x3b s GLN 139 Ca 0.66 -0.25 -0.24 0.00 0.02 0.00 0.00 55.36 55.55 1x3b s GLN 139 Cb -0.21 0.16 -0.09 0.00 1.00 0.00 0.00 33.01 33.87 1x3b s GLN 139 CO 0.52 -0.08 1.05 -1.25 -2.12 0.00 0.00 175.29 173.42 1x3b s PRO 140 N -0.96 4.13 0.00 2.91 0.04 -1.26 -4.99 135.00 134.87 1x3b s PRO 140 Ca -0.10 1.51 0.00 0.00 0.04 0.00 0.00 61.00 62.45 1x3b s PRO 140 Cb -0.06 -2.51 0.00 0.00 0.04 0.00 0.00 34.50 31.97 1x3b s PRO 140 CO 0.01 -0.17 0.79 -1.13 0.04 0.00 0.00 177.00 176.53 1x3b n SER 141 N -0.14 0.00 -0.10 6.66 3.41 -1.26 -4.93 113.62 117.26 1x3b n SER 141 Ca 0.05 0.79 0.00 0.00 -0.26 0.00 0.00 58.87 59.45 1x3b n SER 141 Cb 0.50 -0.29 0.00 0.00 -0.26 0.00 0.00 64.21 64.16 1x3b n SER 141 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x3b n GLY 142 N -0.91 -0.65 0.08 5.00 0.00 -1.26 -4.33 105.19 103.11 1x3b n GLY 142 Ca 0.00 -1.12 -0.12 0.00 0.00 0.00 0.00 46.02 44.77 1x3b n GLY 142 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x3b h PRO 143 N 0.00 -0.04 -7.26 1.61 0.13 -2.03 -3.45 132.00 120.96 1x3b h PRO 143 Ca 0.00 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.62 1x3b h PRO 143 Cb 0.00 0.01 0.11 0.00 0.13 0.00 0.00 31.00 31.25 1x3b h PRO 143 CO 0.00 0.62 0.35 -1.12 -0.23 0.00 0.00 178.00 177.62 1x3b s SER 144 N -5.85 4.91 -0.35 1.44 0.01 -1.26 -4.26 113.70 108.33 1x3b s SER 144 Ca -0.16 1.89 -0.27 0.00 1.31 0.00 0.00 55.95 58.72 1x3b s SER 144 Cb -0.01 -2.53 0.04 0.00 0.21 0.00 0.00 66.02 63.73 1x3b s SER 144 CO 0.61 -1.76 0.50 -1.20 0.41 0.00 0.00 173.24 171.80 1x3b n SER 145 N -2.91 -6.11 0.00 2.44 7.64 -1.26 -4.90 113.62 108.52 1x3b n SER 145 Ca 0.10 0.10 0.05 0.00 1.01 0.00 0.00 58.87 60.13 1x3b n SER 145 Cb 0.53 -2.24 0.30 0.00 -1.01 0.00 0.00 64.21 61.79 1x3b n SER 145 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64