#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x3b s SER 2 N 0.00 -0.28 0.07 1.61 0.01 -1.26 -5.19 113.70 108.67 1x3b s SER 2 Ca 0.00 -0.44 -0.26 0.00 1.31 0.00 0.00 55.95 56.56 1x3b s SER 2 Cb 0.00 0.63 0.08 0.00 0.21 0.00 0.00 66.02 66.94 1x3b s SER 2 CO 0.00 -1.13 0.72 -0.55 0.41 0.00 0.00 173.24 172.68 1x3b s SER 3 N -2.88 -0.50 0.00 2.44 0.15 -1.26 -5.17 113.70 106.48 1x3b s SER 3 Ca 0.10 0.08 0.00 0.00 0.70 0.00 0.00 55.95 56.82 1x3b s SER 3 Cb -0.04 0.51 0.00 0.00 -1.71 0.00 0.00 66.02 64.78 1x3b s SER 3 CO 0.02 -0.80 0.00 0.61 1.20 0.00 0.00 173.24 174.27 1x3b n GLY 4 N -0.18 0.50 2.84 9.45 0.00 -1.26 -5.07 105.19 111.47 1x3b n GLY 4 Ca -0.14 -1.86 -0.30 0.00 0.00 0.00 0.00 46.02 43.72 1x3b n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x3b s SER 5 N -0.27 3.75 0.10 1.61 0.15 -1.26 -5.10 113.70 112.68 1x3b s SER 5 Ca 0.00 -1.30 -0.26 0.00 0.70 0.00 0.00 55.95 55.09 1x3b s SER 5 Cb 0.00 -0.99 0.08 0.00 -1.71 0.00 0.00 66.02 63.39 1x3b s SER 5 CO 0.00 -0.31 0.90 -0.55 1.20 0.00 0.00 173.24 174.48 1x3b s SER 6 N 1.52 -0.27 1.09 5.45 0.15 -1.26 -5.17 113.70 115.22 1x3b s SER 6 Ca 0.01 -0.25 -0.05 0.00 0.70 0.00 0.00 55.95 56.36 1x3b s SER 6 Cb -0.18 0.47 0.07 0.00 -1.71 0.00 0.00 66.02 64.67 1x3b s SER 6 CO -0.12 -0.83 0.17 0.61 1.20 0.00 0.00 173.24 174.28 1x3b n GLY 7 N -0.39 -3.69 0.00 9.45 0.00 -1.26 -5.08 105.19 104.23 1x3b n GLY 7 Ca -0.08 -1.26 0.00 0.00 0.00 0.00 0.00 46.02 44.69 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 -2.71 0.00 -0.61 1.61 0.00 -1.26 -4.93 117.12 109.22 1x3b n MET 8 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.73 1x3b n MET 8 Cb 0.12 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.34 1x3b n MET 8 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1x3b n GLY 9 N 0.00 -1.19 3.21 3.03 0.00 -1.26 -4.84 105.19 104.14 1x3b n GLY 9 Ca 0.00 -0.59 -0.37 0.00 0.00 0.00 0.00 46.02 45.06 1x3b n GLY 9 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1x3b n THR 10 N 0.25 0.36 -0.32 2.61 -2.24 -1.26 -3.52 114.28 110.16 1x3b n THR 10 Ca 0.00 -0.46 -0.00 0.00 -2.27 0.00 0.00 64.05 61.32 1x3b n THR 10 Cb 0.00 -0.19 0.04 0.00 -2.10 0.00 0.00 70.33 68.08 1x3b n THR 10 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05 1x3b n VAL 11 N -2.22 -0.43 0.10 2.28 3.14 -1.26 0.97 118.33 120.92 1x3b n VAL 11 Ca 0.04 1.94 -0.13 0.00 -2.96 0.00 0.00 64.34 63.24 1x3b n VAL 11 Cb 0.52 -2.58 -0.07 0.00 -1.06 0.00 0.00 33.84 30.65 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 -0.23 -0.67 1.45 2.86 -1.85 -2.43 114.93 114.05 1x3b h MET 12 Ca 0.30 0.02 0.11 0.00 -2.06 0.00 0.00 59.70 58.07 1x3b h MET 12 Cb 0.51 0.05 -0.08 0.00 0.06 0.00 0.00 31.60 32.14 1x3b h MET 12 CO -0.83 -0.15 0.26 0.22 1.06 0.00 0.00 176.91 177.47 1x3b h ASP 13 N -0.24 0.25 -0.56 1.22 3.58 0.37 0.66 116.42 121.70 1x3b h ASP 13 Ca -0.00 0.09 0.16 0.00 0.42 0.00 0.00 57.03 57.70 1x3b h ASP 13 Cb 0.22 0.07 -0.02 0.00 1.72 0.00 0.00 39.33 41.32 1x3b h ASP 13 CO -0.02 0.13 0.62 0.58 -2.88 0.00 0.00 179.24 177.68 1x3b h VAL 14 N 0.43 0.28 0.08 2.25 2.07 0.11 1.64 116.25 123.11 1x3b h VAL 14 Ca 0.35 0.00 -0.32 0.00 0.82 0.00 0.00 66.70 67.55 1x3b h VAL 14 Cb 0.47 0.50 -0.03 0.00 -1.52 0.00 0.00 31.29 30.71 1x3b h VAL 14 CO -0.35 0.00 -1.79 -0.07 0.02 0.00 0.00 177.57 175.39 1x3b h LEU 15 N 0.00 0.25 -0.55 2.57 3.38 0.41 -3.21 115.31 118.17 1x3b h LEU 15 Ca 0.27 -0.51 -0.15 0.00 0.09 0.00 0.00 57.88 57.57 1x3b h LEU 15 Cb 1.51 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 42.17 1x3b h LEU 15 CO -0.00 1.45 -0.52 0.11 0.09 0.00 0.00 178.44 179.56 1x3b h LYS 16 N 0.04 0.55 -0.54 1.13 1.57 0.25 -3.10 116.57 116.47 1x3b h LYS 16 Ca -0.33 -0.33 -0.04 0.00 -1.87 0.00 0.00 60.65 58.08 1x3b h LYS 16 Cb 2.02 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 34.34 1x3b h LYS 16 CO 0.10 0.94 0.20 0.78 -0.57 0.00 0.00 179.45 180.89 1x3b h GLY 17 N 1.07 0.88 -4.88 3.86 0.00 0.18 -3.41 103.07 100.76 1x3b h GLY 17 Ca 0.01 -0.50 -0.56 0.00 0.00 0.00 0.00 47.33 46.29 1x3b h GLY 17 CO 0.10 0.47 0.15 0.99 0.00 0.00 0.00 176.54 178.25 1x3b s ASP 18 N -6.07 7.08 0.25 0.19 1.01 -1.17 -4.94 116.67 113.02 1x3b s ASP 18 Ca -0.13 1.30 0.10 0.00 0.71 0.00 0.00 52.55 54.53 1x3b s ASP 18 Cb 0.12 -2.45 0.27 0.00 1.01 0.00 0.00 42.92 41.87 1x3b s ASP 18 CO 0.79 -0.15 1.56 0.78 0.21 0.00 0.00 175.17 178.36 1x3b h ASN 19 N 6.77 0.00 -0.91 0.27 2.35 -1.80 -3.11 115.58 119.15 1x3b h ASN 19 Ca -0.41 0.00 0.19 0.00 -0.55 0.00 0.00 56.30 55.53 1x3b h ASN 19 Cb 1.20 0.00 -0.11 0.00 0.05 0.00 0.00 38.32 39.46 1x3b h ASN 19 CO 0.75 0.67 0.47 0.03 -1.65 0.00 0.00 177.43 177.71 1x3b h ARG 20 N 0.00 0.57 -1.97 0.81 3.08 -1.92 -0.80 114.38 114.15 1x3b h ARG 20 Ca -0.01 -0.03 -0.74 0.00 0.07 0.00 0.00 59.98 59.27 1x3b h ARG 20 Cb 1.20 -0.13 -0.30 0.00 0.08 0.00 0.00 29.97 30.82 1x3b h ARG 20 CO 0.09 0.38 0.69 1.19 -1.07 0.00 0.00 179.97 181.25 1x3b n PHE 21 N -4.90 3.07 -0.02 3.04 3.72 -1.18 -4.38 117.46 116.81 1x3b n PHE 21 Ca 0.21 -2.56 -0.00 0.00 -0.05 0.00 0.00 57.45 55.04 1x3b n PHE 21 Cb 0.55 -0.98 -0.00 0.00 -0.94 0.00 0.00 39.48 38.12 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 3.11 0.00 -0.99 4.37 4.64 -1.26 -3.20 113.55 120.22 1x3b h SER 22 Ca 0.50 0.00 0.35 0.00 -0.47 0.00 0.00 61.79 62.17 1x3b h SER 22 Cb 0.24 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 62.15 1x3b h SER 22 CO 1.28 0.21 0.33 0.24 -0.87 0.00 0.00 176.83 178.01 1x3b h MET 23 N -0.38 0.02 0.48 4.77 2.86 -1.84 0.46 114.93 121.31 1x3b h MET 23 Ca 0.00 -0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 1x3b h MET 23 Cb 0.04 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.68 1x3b h MET 23 CO 0.00 0.01 -0.41 1.25 1.06 0.00 0.00 176.91 178.82 1x3b h LEU 24 N 0.02 -1.09 -0.92 1.22 5.85 -1.91 -2.30 115.31 116.19 1x3b h LEU 24 Ca 0.74 0.08 0.12 0.00 0.84 0.00 0.00 57.88 59.67 1x3b h LEU 24 Cb 1.79 0.35 -0.14 0.00 0.37 0.00 0.00 40.66 43.03 1x3b h LEU 24 CO -0.82 -0.58 -0.45 0.58 -0.34 0.00 0.00 178.44 176.82 1x3b h VAL 25 N -0.89 0.02 -0.76 1.05 2.07 -0.08 0.85 116.25 118.52 1x3b h VAL 25 Ca -0.05 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.62 1x3b h VAL 25 Cb 0.76 0.02 -0.14 0.00 -1.52 0.00 0.00 31.29 30.41 1x3b h VAL 25 CO -0.02 0.00 -0.17 0.00 0.02 0.00 0.00 177.57 177.40 1x3b h ALA 26 N 1.01 0.53 -0.46 1.67 0.00 -1.04 0.88 119.26 121.85 1x3b h ALA 26 Ca 0.27 0.29 0.09 0.00 0.00 0.00 0.00 54.91 55.56 1x3b h ALA 26 Cb 0.54 0.56 -0.09 0.00 0.00 0.00 0.00 17.79 18.80 1x3b h ALA 26 CO -0.92 -0.41 -0.18 0.00 0.00 0.00 0.00 179.25 177.74 1x3b h ALA 27 N 1.75 0.19 0.64 0.00 0.00 0.12 0.48 119.26 122.45 1x3b h ALA 27 Ca 0.37 0.17 -0.03 0.00 0.00 0.00 0.00 54.91 55.42 1x3b h ALA 27 Cb 0.57 0.46 0.01 0.00 0.00 0.00 0.00 17.79 18.82 1x3b h ALA 27 CO -0.77 -0.52 -0.31 0.82 0.00 0.00 0.00 179.25 178.48 1x3b h ILE 28 N -0.08 0.00 -0.99 0.00 2.04 0.76 0.46 117.51 119.70 1x3b h ILE 28 Ca 0.22 -0.16 0.37 0.00 1.00 0.00 0.00 64.86 66.29 1x3b h ILE 28 Cb 0.41 0.00 -0.18 0.00 -0.74 0.00 0.00 36.82 36.31 1x3b h ILE 28 CO -0.51 0.00 0.38 1.67 0.00 0.00 0.00 178.15 179.69 1x3b n GLN 29 N -4.77 -0.06 -0.01 2.37 7.27 0.26 0.19 117.38 122.63 1x3b n GLN 29 Ca -0.11 1.39 -0.17 0.00 0.07 0.00 0.00 57.00 58.19 1x3b n GLN 29 Cb 0.34 -2.42 -0.10 0.00 2.41 0.00 0.00 30.24 30.47 1x3b n GLN 29 CO 0.00 0.00 0.00 1.03 0.07 0.00 0.00 177.06 178.16 1x3b h SER 30 N 0.00 0.55 0.05 1.69 0.87 0.12 -3.11 113.55 113.72 1x3b h SER 30 Ca 0.77 -0.71 -0.02 0.00 -1.23 0.00 0.00 61.79 60.60 1x3b h SER 30 Cb 1.93 -0.17 -0.00 0.00 -0.44 0.00 0.00 62.40 63.72 1x3b h SER 30 CO -0.81 1.18 -0.06 0.00 -0.53 0.00 0.00 176.83 176.61 1x3b h ALA 31 N 0.39 1.84 -0.14 6.23 0.00 0.63 -3.46 119.26 124.73 1x3b h ALA 31 Ca -0.05 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1x3b h ALA 31 Cb 1.22 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1x3b h ALA 31 CO 0.11 0.12 0.00 0.41 0.00 0.00 0.00 179.25 179.89 1x3b n GLY 32 N -1.29 0.65 0.08 0.00 0.00 0.51 -4.85 105.19 100.28 1x3b n GLY 32 Ca -0.02 -0.74 0.09 0.00 0.00 0.00 0.00 46.02 45.35 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 -0.07 0.55 -0.17 0.99 4.77 -1.17 -4.39 117.00 117.51 1x3b n LEU 33 Ca 0.00 0.22 -0.09 0.00 -0.03 0.00 0.00 56.01 56.11 1x3b n LEU 33 Cb 0.43 -0.01 -0.07 0.00 -2.33 0.00 0.00 43.42 41.45 1x3b n LEU 33 CO 0.00 -0.07 0.49 0.74 -1.33 0.00 0.00 177.39 177.23 1x3b h THR 34 N 0.00 0.00 -0.80 -5.08 2.02 -1.90 -0.97 112.91 106.17 1x3b h THR 34 Ca -0.04 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.22 1x3b h THR 34 Cb 1.11 0.00 -0.10 0.00 -1.74 0.00 0.00 68.15 67.42 1x3b h THR 34 CO 0.01 0.00 -0.47 -0.62 0.37 0.00 0.00 175.52 174.80 1x3b n GLU 35 N -4.59 -0.35 -0.14 6.66 -0.58 -1.26 0.20 120.64 120.57 1x3b n GLU 35 Ca -0.01 1.32 -0.12 0.00 -0.42 0.00 0.00 57.16 57.93 1x3b n GLU 35 Cb 0.22 -1.95 -0.09 0.00 -0.57 0.00 0.00 31.44 29.05 1x3b n GLU 35 CO 0.00 0.00 0.00 1.15 -0.48 0.00 0.00 177.13 177.80 1x3b h THR 36 N 0.00 0.00 0.00 2.62 2.02 -1.50 1.52 112.91 117.57 1x3b h THR 36 Ca 0.13 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.31 1x3b h THR 36 Cb 0.33 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.74 1x3b h THR 36 CO -0.75 0.00 0.00 0.18 0.37 0.00 0.00 175.52 175.32 1x3b n LEU 37 N -5.11 0.48 -1.36 2.58 4.77 0.22 -0.45 117.00 118.13 1x3b n LEU 37 Ca -0.03 0.69 0.02 0.00 -0.03 0.00 0.00 56.01 56.66 1x3b n LEU 37 Cb 0.30 -0.71 0.22 0.00 -2.33 0.00 0.00 43.42 40.90 1x3b n LEU 37 CO -0.00 -0.77 0.66 0.59 -1.33 0.00 0.00 177.39 176.53 1x3b n ASN 38 N -2.11 3.72 -4.17 -1.43 4.13 0.52 -4.65 115.26 111.28 1x3b n ASN 38 Ca -0.00 -2.59 -0.23 0.00 1.68 0.00 0.00 54.58 53.44 1x3b n ASN 38 Cb 0.08 -0.62 -0.14 0.00 -1.54 0.00 0.00 39.78 37.56 1x3b n ASN 38 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 1x3b s ARG 39 N -2.01 1.17 0.32 3.52 0.52 0.41 -4.95 118.95 117.93 1x3b s ARG 39 Ca 0.32 -0.73 -0.29 0.00 -0.52 0.00 0.00 55.73 54.51 1x3b s ARG 39 Cb 0.25 -1.19 -0.12 0.00 0.52 0.00 0.00 34.95 34.40 1x3b s ARG 39 CO 0.09 0.31 1.31 0.39 0.02 0.00 0.00 175.30 177.41 1x3b n GLU 40 N 2.18 2.10 0.00 3.54 1.02 -1.26 -4.76 120.64 123.46 1x3b n GLU 40 Ca -0.16 0.74 0.00 0.00 -0.02 0.00 0.00 57.16 57.72 1x3b n GLU 40 Cb 0.54 -2.33 0.00 0.00 -0.02 0.00 0.00 31.44 29.63 1x3b n GLU 40 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1x3b n GLY 41 N 1.03 -0.22 2.92 0.62 0.00 -1.26 -5.11 105.19 103.17 1x3b n GLY 41 Ca 0.06 -0.64 -0.14 0.00 0.00 0.00 0.00 46.02 45.30 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 -3.60 -0.05 -0.26 1.61 -7.23 -1.26 -4.24 120.40 105.37 1x3b s VAL 42 Ca 0.00 0.18 -0.06 0.00 -1.81 0.00 0.00 61.98 60.29 1x3b s VAL 42 Cb 0.00 -0.24 0.13 0.00 0.56 0.00 0.00 36.38 36.84 1x3b s VAL 42 CO 0.00 0.07 0.53 -0.31 -0.31 0.00 0.00 175.10 175.08 1x3b s TYR 43 N 1.15 -1.17 -0.59 2.82 2.02 -1.26 -3.60 117.35 116.72 1x3b s TYR 43 Ca -0.09 1.73 -0.19 0.00 -0.37 0.00 0.00 57.07 58.15 1x3b s TYR 43 Cb -0.11 0.49 0.09 0.00 -0.40 0.00 0.00 41.96 42.03 1x3b s TYR 43 CO -0.06 -0.67 0.72 0.99 -1.57 0.00 0.00 175.55 174.96 1x3b s THR 44 N 2.76 4.78 0.19 -0.71 2.01 -1.19 -3.54 115.64 119.92 1x3b s THR 44 Ca 0.04 -0.86 0.04 0.00 0.31 0.00 0.00 61.69 61.23 1x3b s THR 44 Cb -0.13 -4.48 -0.04 0.00 0.01 0.00 0.00 72.50 67.86 1x3b s THR 44 CO -0.17 -1.12 0.23 -0.69 -0.69 0.00 0.00 174.62 172.19 1x3b s VAL 45 N 2.82 4.90 -0.21 3.82 1.01 -1.23 -0.48 120.40 131.03 1x3b s VAL 45 Ca 0.13 -0.99 -0.01 0.00 0.00 0.00 0.00 61.98 61.12 1x3b s VAL 45 Cb -0.23 -3.56 0.06 0.00 0.00 0.00 0.00 36.38 32.65 1x3b s VAL 45 CO 0.07 -0.18 -0.02 -0.36 0.00 0.00 0.00 175.10 174.61 1x3b s PHE 46 N -1.85 1.82 -0.30 5.22 0.08 -1.02 -2.13 117.98 119.81 1x3b s PHE 46 Ca 0.33 -1.35 -0.10 0.00 0.12 0.00 0.00 56.93 55.93 1x3b s PHE 46 Cb -0.10 -1.35 -0.01 0.00 -0.57 0.00 0.00 43.02 40.99 1x3b s PHE 46 CO 0.26 -0.70 0.15 0.00 -0.10 0.00 0.00 175.22 174.83 1x3b s ALA 47 N 1.59 3.29 1.00 5.36 0.00 -1.24 -4.81 121.76 126.95 1x3b s ALA 47 Ca -0.03 -1.32 0.00 0.00 0.00 0.00 0.00 51.96 50.61 1x3b s ALA 47 Cb -0.18 -2.36 0.00 0.00 0.00 0.00 0.00 23.12 20.59 1x3b s ALA 47 CO -0.07 -0.81 0.00 -0.35 0.00 0.00 0.00 175.76 174.53 1x3b n PRO 48 N 4.99 0.52 -0.33 0.00 -0.04 -1.26 -1.03 135.00 137.85 1x3b n PRO 48 Ca -0.14 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.32 1x3b n PRO 48 Cb 0.50 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.96 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 -0.89 0.00 -0.08 0.52 -2.24 -1.17 -4.68 114.28 105.75 1x3b n THR 49 Ca 0.00 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.63 1x3b n THR 49 Cb 0.00 -0.95 -0.12 0.00 -2.10 0.00 0.00 70.33 67.16 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 0.00 0.00 0.31 3.42 2.35 -1.96 -3.28 115.58 116.42 1x3b h ASN 50 Ca 0.00 -0.80 0.00 0.00 -0.55 0.00 0.00 56.30 54.95 1x3b h ASN 50 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 1x3b h ASN 50 CO 0.00 1.11 0.00 -0.62 -1.65 0.00 0.00 177.43 176.27 1x3b n GLU 51 N -4.57 0.05 -0.04 0.81 1.02 -1.26 -2.09 120.64 114.57 1x3b n GLU 51 Ca -0.16 0.41 -0.13 0.00 -0.02 0.00 0.00 57.16 57.27 1x3b n GLU 51 Cb 0.51 -1.63 -0.08 0.00 -0.02 0.00 0.00 31.44 30.22 1x3b n GLU 51 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1x3b h ALA 52 N 2.23 0.12 -0.23 0.62 0.00 -1.88 -2.90 119.26 117.22 1x3b h ALA 52 Ca 0.00 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 54.59 1x3b h ALA 52 Cb 0.15 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1x3b h ALA 52 CO 0.00 -0.09 -0.11 0.74 0.00 0.00 0.00 179.25 179.79 1x3b h PHE 53 N -0.20 0.54 -0.47 0.00 -1.00 -1.53 -2.72 116.94 111.56 1x3b h PHE 53 Ca 0.02 -0.13 0.13 0.00 2.81 0.00 0.00 57.97 60.80 1x3b h PHE 53 Cb 0.53 -0.13 -0.02 0.00 3.61 0.00 0.00 35.95 39.95 1x3b h PHE 53 CO 0.08 0.75 0.55 0.00 -1.61 0.00 0.00 178.31 178.07 1x3b h ARG 54 N 0.18 0.00 -0.45 1.51 3.08 -1.55 0.85 114.38 118.01 1x3b h ARG 54 Ca 0.05 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 60.00 1x3b h ARG 54 Cb 0.60 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.63 1x3b h ARG 54 CO 0.03 0.00 -0.12 0.00 -1.07 0.00 0.00 179.97 178.81 1x3b h ALA 55 N 1.33 0.94 -2.76 0.04 0.00 -1.26 -3.44 119.26 114.11 1x3b h ALA 55 Ca 0.22 -0.33 -0.57 0.00 0.00 0.00 0.00 54.91 54.23 1x3b h ALA 55 Cb 1.32 -0.18 0.17 0.00 0.00 0.00 0.00 17.79 19.10 1x3b h ALA 55 CO -0.00 0.62 -0.01 1.28 0.00 0.00 0.00 179.25 181.14 1x3b n LEU 56 N -4.15 3.00 -4.81 0.00 4.77 0.30 -4.96 117.00 111.14 1x3b n LEU 56 Ca 0.01 0.78 -0.31 0.00 -0.03 0.00 0.00 56.01 56.46 1x3b n LEU 56 Cb 0.38 -1.33 0.07 0.00 -2.33 0.00 0.00 43.42 40.20 1x3b n LEU 56 CO 0.44 -2.19 0.71 -2.16 -1.33 0.00 0.00 177.39 172.86 1x3b s PRO 57 N -2.62 2.57 0.00 3.23 0.04 -1.26 -4.83 135.00 132.12 1x3b s PRO 57 Ca 0.75 0.82 0.19 0.00 0.04 0.00 0.00 61.00 62.80 1x3b s PRO 57 Cb -0.42 -1.96 1.16 0.00 0.04 0.00 0.00 34.50 33.33 1x3b s PRO 57 CO 0.48 -1.33 1.60 -0.35 0.04 0.00 0.00 177.00 177.45 1x3b n PRO 58 N -3.26 0.75 -0.09 0.56 -0.04 -1.26 -0.61 135.00 131.05 1x3b n PRO 58 Ca 0.07 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.40 1x3b n PRO 58 Cb 0.55 -1.40 -0.14 0.00 -0.04 0.00 0.00 33.50 32.46 1x3b n PRO 58 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1x3b n ARG 59 N -0.90 0.68 -0.05 0.54 0.63 -1.26 -4.35 116.66 111.94 1x3b n ARG 59 Ca 0.15 0.10 -0.08 0.00 -0.92 0.00 0.00 57.85 57.09 1x3b n ARG 59 Cb 0.07 -1.57 -0.15 0.00 0.45 0.00 0.00 32.46 31.26 1x3b n ARG 59 CO 0.00 0.00 0.00 -1.91 -2.51 0.00 0.00 177.63 173.21 1x3b n GLU 60 N -3.00 0.66 0.00 -0.14 2.13 -1.06 -3.69 120.64 115.54 1x3b n GLU 60 Ca -0.35 0.15 0.00 0.00 0.66 0.00 0.00 57.16 57.62 1x3b n GLU 60 Cb 1.09 -1.67 0.00 0.00 0.27 0.00 0.00 31.44 31.13 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 -2.89 0.00 -0.20 5.31 0.63 0.22 -0.06 116.66 119.67 1x3b n ARG 61 Ca -0.24 0.55 -0.01 0.00 -0.92 0.00 0.00 57.85 57.23 1x3b n ARG 61 Cb 1.08 -1.31 0.09 0.00 0.45 0.00 0.00 32.46 32.77 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 0.33 -0.34 6.15 0.87 -1.80 -1.03 113.55 117.73 1x3b h SER 62 Ca 0.00 0.05 0.04 0.00 -1.23 0.00 0.00 61.79 60.65 1x3b h SER 62 Cb 0.00 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 61.91 1x3b h SER 62 CO 0.00 0.21 -0.34 0.03 -0.53 0.00 0.00 176.83 176.20 1x3b h ARG 63 N 0.49 -0.17 -0.28 2.24 -0.00 -1.58 1.86 114.38 116.95 1x3b h ARG 63 Ca 0.28 0.01 0.06 0.00 -0.50 0.00 0.00 59.98 59.83 1x3b h ARG 63 Cb 0.28 0.04 -0.06 0.00 0.00 0.00 0.00 29.97 30.23 1x3b h ARG 63 CO -0.24 -0.11 -0.09 -0.07 0.00 0.00 0.00 179.97 179.46 1x3b h LEU 64 N -0.18 -0.31 -1.40 3.04 3.38 -0.16 0.81 115.31 120.48 1x3b h LEU 64 Ca 0.06 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1x3b h LEU 64 Cb 0.33 0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.28 1x3b h LEU 64 CO -0.42 -0.12 0.00 0.18 0.09 0.00 0.00 178.44 178.18 1x3b n LEU 65 N -5.26 0.59 0.00 1.67 4.77 -0.26 -3.85 117.00 114.65 1x3b n LEU 65 Ca -0.01 0.76 0.00 0.00 -0.03 0.00 0.00 56.01 56.74 1x3b n LEU 65 Cb 0.18 -0.82 0.00 0.00 -2.33 0.00 0.00 43.42 40.45 1x3b n LEU 65 CO 0.20 -0.93 0.00 0.61 -1.33 0.00 0.00 177.39 175.94 1x3b n GLY 66 N -1.17 0.14 3.71 -0.72 0.00 0.62 -4.94 105.19 102.83 1x3b n GLY 66 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 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 6.41 -0.07 1.61 2.15 0.12 -4.90 116.67 120.99 1x3b s ASP 67 Ca 0.00 2.81 -0.21 0.00 0.43 0.00 0.00 52.55 55.58 1x3b s ASP 67 Cb 0.00 -2.59 -0.30 0.00 -0.30 0.00 0.00 42.92 39.73 1x3b s ASP 67 CO 0.00 -0.97 0.78 0.00 -0.17 0.00 0.00 175.17 174.81 1x3b h ALA 68 N 7.31 -0.01 -0.80 3.66 0.00 -1.86 -2.97 119.26 124.59 1x3b h ALA 68 Ca -0.44 -0.79 0.10 0.00 0.00 0.00 0.00 54.91 53.78 1x3b h ALA 68 Cb 1.21 0.20 -0.12 0.00 0.00 0.00 0.00 17.79 19.08 1x3b h ALA 68 CO 0.95 0.46 -0.51 0.87 0.00 0.00 0.00 179.25 181.03 1x3b h LYS 69 N -0.43 -0.11 0.00 0.00 1.79 -1.94 1.64 116.57 117.51 1x3b h LYS 69 Ca -0.18 0.01 -0.04 0.00 -2.18 0.00 0.00 60.65 58.27 1x3b h LYS 69 Cb 1.61 0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 32.28 1x3b h LYS 69 CO 0.11 -0.08 -0.18 0.93 -1.08 0.00 0.00 179.45 179.15 1x3b h GLU 70 N -0.12 0.00 0.00 3.15 5.08 -1.95 -1.59 114.58 119.15 1x3b h GLU 70 Ca 0.19 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.55 1x3b h GLU 70 Cb 0.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.76 1x3b h GLU 70 CO -0.83 0.18 -0.00 1.25 -1.00 0.00 0.00 179.01 178.60 1x3b h LEU 71 N 0.00 -0.00 -1.48 1.33 6.46 0.22 -2.41 115.31 119.43 1x3b h LEU 71 Ca -0.00 0.00 0.34 0.00 -0.12 0.00 0.00 57.88 58.10 1x3b h LEU 71 Cb 0.37 0.00 -0.10 0.00 -0.73 0.00 0.00 40.66 40.20 1x3b h LEU 71 CO 0.02 -0.00 0.78 0.00 -0.62 0.00 0.00 178.44 178.62 1x3b h ALA 72 N -2.00 2.57 -0.15 1.25 0.00 0.41 0.65 119.26 122.00 1x3b h ALA 72 Ca -0.00 0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.01 1x3b h ALA 72 Cb 0.00 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 1x3b h ALA 72 CO 0.00 -1.05 -0.11 -0.97 0.00 0.00 0.00 179.25 177.12 1x3b h ASN 73 N 0.22 -0.35 -0.34 0.00 -0.73 -1.23 1.42 115.58 114.58 1x3b h ASN 73 Ca 0.68 0.08 -0.02 0.00 1.87 0.00 0.00 56.30 58.90 1x3b h ASN 73 Cb 2.04 0.18 -0.01 0.00 0.27 0.00 0.00 38.32 40.79 1x3b h ASN 73 CO -0.29 -0.15 0.12 0.40 -0.37 0.00 0.00 177.43 177.15 1x3b h ILE 74 N -0.12 1.19 -0.77 2.57 1.08 0.77 -2.30 117.51 119.93 1x3b h ILE 74 Ca 0.09 -0.60 0.03 0.00 -0.39 0.00 0.00 64.86 64.00 1x3b h ILE 74 Cb 0.25 0.96 -0.05 0.00 -3.07 0.00 0.00 36.82 34.92 1x3b h ILE 74 CO -0.22 0.21 0.49 -0.07 -0.69 0.00 0.00 178.15 177.86 1x3b h LEU 75 N 0.39 0.80 -0.39 1.44 3.38 -0.38 -1.37 115.31 119.18 1x3b h LEU 75 Ca 0.11 -0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.16 1x3b h LEU 75 Cb 0.21 -0.17 -0.07 0.00 0.09 0.00 0.00 40.66 40.71 1x3b h LEU 75 CO -0.01 0.55 -0.07 0.11 0.09 0.00 0.00 178.44 179.11 1x3b h LYS 76 N 0.94 0.02 0.00 1.13 1.57 0.23 0.69 116.57 121.16 1x3b h LYS 76 Ca 0.31 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.09 1x3b h LYS 76 Cb 0.02 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.33 1x3b h LYS 76 CO -0.11 0.02 0.00 -0.92 -0.57 0.00 0.00 179.45 177.86 1x3b h TYR 77 N 0.02 0.00 0.00 -1.35 3.20 -0.81 -1.13 116.97 116.91 1x3b h TYR 77 Ca 0.19 0.00 -0.12 0.00 3.14 0.00 0.00 58.73 61.93 1x3b h TYR 77 Cb 0.28 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.53 1x3b h TYR 77 CO -0.33 0.00 -1.29 0.45 -1.64 0.00 0.00 178.16 175.36 1x3b h HIS 78 N 0.00 0.00 -2.87 -3.82 3.86 0.11 -3.46 115.15 108.96 1x3b h HIS 78 Ca 0.00 0.00 -0.65 0.00 -1.16 0.00 0.00 60.37 58.56 1x3b h HIS 78 Cb 0.26 0.00 -0.07 0.00 1.06 0.00 0.00 27.41 28.66 1x3b h HIS 78 CO 0.00 0.43 -0.52 0.42 0.86 0.00 0.00 177.93 179.12 1x3b s ILE 79 N -3.04 5.21 0.48 2.45 1.01 0.19 -2.42 121.20 125.07 1x3b s ILE 79 Ca -0.02 -0.14 0.06 0.00 0.00 0.00 0.00 60.65 60.55 1x3b s ILE 79 Cb 0.09 -3.37 -0.00 0.00 0.01 0.00 0.00 42.46 39.19 1x3b s ILE 79 CO 0.80 0.42 0.27 -0.83 0.00 0.00 0.00 174.94 175.61 1x3b s GLY 80 N -1.60 2.43 -0.44 6.18 0.00 0.37 -3.54 107.32 110.72 1x3b s GLY 80 Ca 0.22 -1.49 0.04 0.00 0.00 0.00 0.00 44.72 43.49 1x3b s GLY 80 CO 0.13 -1.94 1.55 1.34 0.00 0.00 0.00 173.10 174.18 1x3b n ASP 81 N -1.50 5.74 0.00 1.64 2.03 0.03 -3.56 116.55 120.92 1x3b n ASP 81 Ca -0.03 -3.77 0.00 0.00 0.52 0.00 0.00 54.79 51.51 1x3b n ASP 81 Cb 0.64 -0.62 0.00 0.00 -0.72 0.00 0.00 41.12 40.42 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 -0.84 0.00 -3.20 -0.67 0.28 -1.24 -4.91 120.64 110.06 1x3b n GLU 82 Ca 0.50 0.00 -0.39 0.00 -0.16 0.00 0.00 57.16 57.12 1x3b n GLU 82 Cb 0.87 0.00 -0.05 0.00 1.43 0.00 0.00 31.44 33.68 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 5.11 -0.07 3.84 -1.09 -1.26 -3.20 121.20 122.53 1x3b s ILE 83 Ca 0.00 1.17 -0.02 0.00 -2.23 0.00 0.00 60.65 59.57 1x3b s ILE 83 Cb 0.00 -3.91 0.03 0.00 -1.58 0.00 0.00 42.46 37.00 1x3b s ILE 83 CO 0.00 0.31 0.02 -0.22 -1.23 0.00 0.00 174.94 173.81 1x3b s LEU 84 N 0.61 0.49 0.05 2.97 0.20 -1.26 -5.06 118.68 116.67 1x3b s LEU 84 Ca 0.31 -0.06 0.02 0.00 0.69 0.00 0.00 54.13 55.08 1x3b s LEU 84 Cb -0.16 -0.37 -0.03 0.00 -0.43 0.00 0.00 46.19 45.20 1x3b s LEU 84 CO 0.14 -0.21 -0.07 0.68 -0.29 0.00 0.00 176.35 176.60 1x3b s VAL 85 N 2.02 0.53 -0.66 1.68 -7.23 -1.26 -4.97 120.40 110.51 1x3b s VAL 85 Ca 0.05 -1.30 -0.15 0.00 -1.81 0.00 0.00 61.98 58.77 1x3b s VAL 85 Cb -0.12 -0.87 -0.13 0.00 0.56 0.00 0.00 36.38 35.81 1x3b s VAL 85 CO -0.05 -0.53 1.86 -1.54 -0.31 0.00 0.00 175.10 174.53 1x3b n SER 86 N 1.06 2.89 -2.64 4.85 3.41 -1.26 -4.51 113.62 117.43 1x3b n SER 86 Ca -0.20 -2.47 -0.26 0.00 -0.26 0.00 0.00 58.87 55.67 1x3b n SER 86 Cb 0.56 -0.98 -0.01 0.00 -0.26 0.00 0.00 64.21 63.52 1x3b n SER 86 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x3b n GLY 87 N 4.27 5.70 0.00 5.00 0.00 -1.26 -4.82 105.19 114.09 1x3b n GLY 87 Ca 0.43 -2.71 0.00 0.00 0.00 0.00 0.00 46.02 43.74 1x3b n GLY 87 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x3b n GLY 88 N -0.38 0.70 0.00 -0.02 0.00 -1.26 -5.13 105.19 99.09 1x3b n GLY 88 Ca 0.35 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.79 1x3b n GLY 88 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1x3b n ILE 89 N 0.00 0.00 0.00 -0.61 2.08 -1.26 -5.06 119.36 114.51 1x3b n ILE 89 Ca 0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 1x3b n ILE 89 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 38.89 1x3b n ILE 89 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1x3b n GLY 90 N 4.09 0.38 1.45 7.39 0.00 -1.26 -5.00 105.19 112.24 1x3b n GLY 90 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1x3b n GLY 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x3b n ALA 91 N 0.00 0.00 -3.21 4.61 0.00 -1.26 -5.00 120.51 115.65 1x3b n ALA 91 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 1x3b n ALA 91 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.36 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 -5.67 1.02 -0.06 0.00 1.98 -1.26 -3.55 118.68 111.13 1x3b s LEU 92 Ca 0.00 0.03 -0.01 0.00 -2.89 0.00 0.00 54.13 51.26 1x3b s LEU 92 Cb 0.00 1.12 0.03 0.00 0.66 0.00 0.00 46.19 48.00 1x3b s LEU 92 CO 0.00 -0.42 0.01 -0.69 -1.89 0.00 0.00 176.35 173.36 1x3b s VAL 93 N -1.30 0.29 -0.30 1.68 1.01 0.44 -4.95 120.40 117.28 1x3b s VAL 93 Ca -0.13 0.16 -0.22 0.00 0.00 0.00 0.00 61.98 61.79 1x3b s VAL 93 Cb -0.06 -0.46 -0.01 0.00 0.00 0.00 0.00 36.38 35.86 1x3b s VAL 93 CO 0.03 0.24 0.70 -0.13 0.00 0.00 0.00 175.10 175.95 1x3b s ARG 94 N 1.91 3.95 -0.20 2.72 0.52 -1.26 -1.24 118.95 125.36 1x3b s ARG 94 Ca 0.04 0.46 -0.06 0.00 -0.52 0.00 0.00 55.73 55.65 1x3b s ARG 94 Cb -0.12 -3.72 -0.03 0.00 0.52 0.00 0.00 34.95 31.60 1x3b s ARG 94 CO -0.04 -0.60 0.02 -1.17 0.02 0.00 0.00 175.30 173.52 1x3b s LEU 95 N 2.76 3.36 -0.02 2.53 0.20 0.25 -4.97 118.68 122.80 1x3b s LEU 95 Ca 0.29 -0.16 -0.30 0.00 0.69 0.00 0.00 54.13 54.65 1x3b s LEU 95 Cb -0.15 -1.86 -0.03 0.00 -0.43 0.00 0.00 46.19 43.72 1x3b s LEU 95 CO 0.12 0.07 1.07 -0.75 -0.29 0.00 0.00 176.35 176.57 1x3b s LYS 96 N 0.97 4.47 0.59 1.98 2.20 -1.26 0.73 119.74 129.42 1x3b s LYS 96 Ca 0.02 1.54 0.09 0.00 -0.36 0.00 0.00 55.97 57.26 1x3b s LYS 96 Cb -0.14 -3.47 0.09 0.00 -1.51 0.00 0.00 37.83 32.80 1x3b s LYS 96 CO 0.02 -0.22 0.81 -1.54 -0.36 0.00 0.00 175.35 174.07 1x3b s SER 97 N 1.12 5.03 -0.02 1.43 1.04 -1.09 -0.79 113.70 120.42 1x3b s SER 97 Ca 0.53 -0.83 0.04 0.00 0.48 0.00 0.00 55.95 56.17 1x3b s SER 97 Cb -0.23 0.32 -0.25 0.00 0.10 0.00 0.00 66.02 65.96 1x3b s SER 97 CO 0.25 -1.40 0.77 -0.07 0.98 0.00 0.00 173.24 173.77 1x3b h LEU 98 N 0.11 0.18 -2.55 2.42 3.38 -1.63 -3.28 115.31 113.94 1x3b h LEU 98 Ca -0.30 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.37 1x3b h LEU 98 Cb 1.29 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.98 1x3b h LEU 98 CO 0.40 1.26 0.00 -0.61 0.09 0.00 0.00 178.44 179.59 1x3b h GLN 99 N 0.03 0.00 0.00 1.13 -0.00 -1.86 -3.45 115.11 110.96 1x3b h GLN 99 Ca -0.25 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.40 1x3b h GLN 99 Cb 1.98 0.00 0.00 0.00 0.00 0.00 0.00 27.48 29.46 1x3b h GLN 99 CO 0.11 0.00 0.00 0.41 0.00 0.00 0.00 178.83 179.35 1x3b n GLY 100 N -1.04 2.59 3.76 2.39 0.00 -1.24 -5.01 105.19 106.65 1x3b n GLY 100 Ca -0.02 -0.79 -0.39 0.00 0.00 0.00 0.00 46.02 44.81 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 -0.10 7.20 -0.21 1.61 1.01 -1.26 -4.68 116.67 120.25 1x3b s ASP 101 Ca 0.00 2.18 -0.18 0.00 0.71 0.00 0.00 52.55 55.26 1x3b s ASP 101 Cb 0.00 -2.62 -0.03 0.00 1.01 0.00 0.00 42.92 41.28 1x3b s ASP 101 CO 0.00 -0.18 0.51 -0.54 0.21 0.00 0.00 175.17 175.17 1x3b s LYS 102 N -1.65 4.18 0.28 8.23 3.01 -1.26 -2.67 119.74 129.86 1x3b s LYS 102 Ca 0.47 0.39 -0.28 0.00 -1.01 0.00 0.00 55.97 55.54 1x3b s LYS 102 Cb -0.29 -3.57 -0.09 0.00 -1.01 0.00 0.00 37.83 32.87 1x3b s LYS 102 CO 0.37 -0.16 0.99 -0.51 0.51 0.00 0.00 175.35 176.54 1x3b s LEU 103 N 1.69 4.51 -0.15 3.17 1.43 0.22 -4.81 118.68 124.74 1x3b s LEU 103 Ca 0.23 2.00 -0.12 0.00 -1.03 0.00 0.00 54.13 55.21 1x3b s LEU 103 Cb -0.15 -3.77 -0.05 0.00 0.03 0.00 0.00 46.19 42.25 1x3b s LEU 103 CO 0.09 -0.02 0.25 -1.61 0.23 0.00 0.00 176.35 175.30 1x3b s GLU 104 N -1.58 4.10 -0.04 1.70 2.02 -1.26 -0.58 118.70 123.06 1x3b s GLU 104 Ca 0.46 0.04 -0.01 0.00 0.02 0.00 0.00 54.97 55.47 1x3b s GLU 104 Cb -0.25 -3.37 0.03 0.00 0.10 0.00 0.00 34.13 30.64 1x3b s GLU 104 CO 0.32 0.37 0.04 0.08 0.02 0.00 0.00 175.26 176.08 1x3b s VAL 105 N 0.09 0.01 0.24 2.63 1.01 -0.37 -0.66 120.40 123.35 1x3b s VAL 105 Ca 0.15 0.31 0.02 0.00 0.00 0.00 0.00 61.98 62.47 1x3b s VAL 105 Cb -0.13 -0.21 -0.05 0.00 0.00 0.00 0.00 36.38 35.99 1x3b s VAL 105 CO 0.04 0.18 0.05 -0.94 0.00 0.00 0.00 175.10 174.43 1x3b s SER 106 N 1.85 1.44 -0.23 3.32 1.04 -1.21 0.17 113.70 120.07 1x3b s SER 106 Ca 0.01 -1.31 0.01 0.00 0.48 0.00 0.00 55.95 55.15 1x3b s SER 106 Cb -0.12 0.10 0.05 0.00 0.10 0.00 0.00 66.02 66.15 1x3b s SER 106 CO -0.03 -0.64 -0.09 -0.22 0.98 0.00 0.00 173.24 173.24 1x3b s LEU 107 N -3.30 2.69 -0.01 2.42 2.96 -1.23 -2.85 118.68 119.36 1x3b s LEU 107 Ca 0.33 -1.13 0.02 0.00 -0.22 0.00 0.00 54.13 53.13 1x3b s LEU 107 Cb 0.07 -1.30 -0.00 0.00 0.50 0.00 0.00 46.19 45.46 1x3b s LEU 107 CO 0.11 -0.19 -0.06 -0.75 -1.32 0.00 0.00 176.35 174.14 1x3b s LYS 108 N 1.32 0.53 -1.84 1.98 2.20 -0.57 -4.73 119.74 118.62 1x3b s LYS 108 Ca -0.05 -0.19 0.00 0.00 -0.36 0.00 0.00 55.97 55.37 1x3b s LYS 108 Cb -0.18 -0.52 0.00 0.00 -1.51 0.00 0.00 37.83 35.61 1x3b s LYS 108 CO -0.07 0.09 0.00 0.09 -0.36 0.00 0.00 175.35 175.11 1x3b n ASN 109 N 3.12 -5.29 -0.22 1.43 4.13 -1.26 0.89 115.26 118.06 1x3b n ASN 109 Ca -0.15 0.43 -0.03 0.00 1.68 0.00 0.00 54.58 56.51 1x3b n ASN 109 Cb 0.57 -4.48 -0.01 0.00 -1.54 0.00 0.00 39.78 34.31 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 -1.20 -3.57 -4.57 6.41 2.85 -1.26 -5.01 115.26 108.91 1x3b n ASN 110 Ca -0.17 0.07 -0.33 0.00 -0.11 0.00 0.00 54.58 54.04 1x3b n ASN 110 Cb 0.63 -1.32 -0.11 0.00 1.24 0.00 0.00 39.78 40.22 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 -2.03 3.59 -0.06 3.44 1.01 0.26 -5.11 120.40 121.49 1x3b s VAL 111 Ca 0.00 -0.62 -0.08 0.00 0.00 0.00 0.00 61.98 61.28 1x3b s VAL 111 Cb 0.00 -2.49 -0.05 0.00 0.00 0.00 0.00 36.38 33.85 1x3b s VAL 111 CO 0.00 0.53 0.23 -0.69 0.00 0.00 0.00 175.10 175.17 1x3b s VAL 112 N -0.86 5.35 0.07 2.92 1.01 -1.26 -1.51 120.40 126.12 1x3b s VAL 112 Ca 0.14 0.31 0.02 0.00 0.00 0.00 0.00 61.98 62.46 1x3b s VAL 112 Cb -0.11 -3.51 -0.03 0.00 0.00 0.00 0.00 36.38 32.72 1x3b s VAL 112 CO 0.03 0.53 -0.08 -0.44 0.00 0.00 0.00 175.10 175.15 1x3b s SER 113 N -1.25 1.07 -0.25 3.32 0.01 -1.13 -2.04 113.70 113.42 1x3b s SER 113 Ca 0.21 -0.78 -0.03 0.00 1.31 0.00 0.00 55.95 56.66 1x3b s SER 113 Cb -0.13 0.06 0.08 0.00 0.21 0.00 0.00 66.02 66.24 1x3b s SER 113 CO 0.10 -0.32 0.10 0.54 0.41 0.00 0.00 173.24 174.06 1x3b s VAL 114 N -2.45 0.22 -0.25 3.43 0.11 0.07 -3.34 120.40 118.20 1x3b s VAL 114 Ca 0.01 -0.71 -0.01 0.00 -2.93 0.00 0.00 61.98 58.34 1x3b s VAL 114 Cb -0.03 -1.03 0.00 0.00 -1.53 0.00 0.00 36.38 33.79 1x3b s VAL 114 CO -0.02 -0.52 0.07 0.59 -3.33 0.00 0.00 175.10 171.89 1x3b n ASN 115 N 5.14 -2.12 -0.87 3.54 3.02 0.17 -2.92 115.26 121.23 1x3b n ASN 115 Ca -0.06 -0.03 -0.09 0.00 -0.03 0.00 0.00 54.58 54.36 1x3b n ASN 115 Cb 0.45 -1.18 -0.02 0.00 -0.61 0.00 0.00 39.78 38.41 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 -1.26 -0.68 -5.02 3.52 5.02 -1.26 -5.01 118.16 113.46 1x3b n LYS 116 Ca -0.02 0.63 -0.32 0.00 -2.02 0.00 0.00 58.31 56.58 1x3b n LYS 116 Cb 0.52 -4.58 -0.14 0.00 -0.02 0.00 0.00 35.03 30.81 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 -3.61 2.27 0.12 1.97 2.02 -1.15 -5.11 118.70 115.22 1x3b s GLU 117 Ca 0.00 -0.84 -0.30 0.00 0.02 0.00 0.00 54.97 53.85 1x3b s GLU 117 Cb 0.00 -2.21 -0.07 0.00 0.10 0.00 0.00 34.13 31.96 1x3b s GLU 117 CO 0.00 0.58 1.14 -1.25 0.02 0.00 0.00 175.26 175.76 1x3b s PRO 118 N -0.80 4.52 0.40 0.39 0.04 -1.26 -0.75 135.00 137.54 1x3b s PRO 118 Ca 0.11 1.74 -0.08 0.00 0.04 0.00 0.00 61.00 62.81 1x3b s PRO 118 Cb -0.10 -3.31 -0.05 0.00 0.04 0.00 0.00 34.50 31.07 1x3b s PRO 118 CO 0.01 -0.08 0.73 0.08 0.04 0.00 0.00 177.00 177.77 1x3b s VAL 119 N 0.37 4.87 0.00 -0.36 1.01 -0.87 -3.19 120.40 122.23 1x3b s VAL 119 Ca 0.54 0.38 0.00 0.00 0.00 0.00 0.00 61.98 62.89 1x3b s VAL 119 Cb -0.29 -3.77 0.00 0.00 0.00 0.00 0.00 36.38 32.32 1x3b s VAL 119 CO 0.32 -0.57 0.00 0.00 0.00 0.00 0.00 175.10 174.85 1x3b n ALA 120 N -1.50 0.00 -3.49 5.51 0.00 0.72 -4.77 120.51 116.98 1x3b n ALA 120 Ca 0.01 -0.06 -0.28 0.00 0.00 0.00 0.00 53.44 53.11 1x3b n ALA 120 Cb 0.54 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.88 1x3b n ALA 120 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1x3b s GLU 121 N -0.67 0.82 1.07 0.00 2.02 -0.98 -4.99 118.70 115.97 1x3b s GLU 121 Ca 0.00 -1.71 -0.17 0.00 0.02 0.00 0.00 54.97 53.10 1x3b s GLU 121 Cb 0.00 -1.55 0.24 0.00 0.10 0.00 0.00 34.13 32.92 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 0.60 -0.22 -0.33 0.39 0.04 -1.26 -3.31 135.00 130.91 1x3b s PRO 122 Ca 0.22 -0.23 -0.01 0.00 0.04 0.00 0.00 61.00 61.02 1x3b s PRO 122 Cb -0.15 -1.73 -0.01 0.00 0.04 0.00 0.00 34.50 32.65 1x3b s PRO 122 CO -0.06 -3.02 0.28 -3.47 0.04 0.00 0.00 177.00 170.77 1x3b n ASP 123 N -4.23 -2.79 -4.13 6.66 -0.08 -1.23 -4.94 116.55 105.79 1x3b n ASP 123 Ca 0.14 -0.20 -0.38 0.00 -1.51 0.00 0.00 54.79 52.84 1x3b n ASP 123 Cb 0.59 -1.87 -0.09 0.00 2.34 0.00 0.00 41.12 42.09 1x3b n ASP 123 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 1x3b s ILE 124 N -3.11 3.88 0.24 5.18 1.01 -0.44 -4.97 121.20 122.98 1x3b s ILE 124 Ca 0.08 -2.66 -0.30 0.00 0.00 0.00 0.00 60.65 57.77 1x3b s ILE 124 Cb -0.01 -3.53 -0.09 0.00 0.01 0.00 0.00 42.46 38.84 1x3b s ILE 124 CO 0.22 -0.85 1.16 -0.04 0.00 0.00 0.00 174.94 175.42 1x3b s MET 125 N 0.28 4.55 0.00 2.79 -1.94 -1.26 0.34 119.30 124.06 1x3b s MET 125 Ca 0.15 1.87 0.00 0.00 -1.71 0.00 0.00 55.69 55.99 1x3b s MET 125 Cb -0.20 -3.21 0.00 0.00 2.01 0.00 0.00 34.83 33.43 1x3b s MET 125 CO -0.04 0.04 0.00 0.00 -0.01 0.00 0.00 175.02 175.01 1x3b n ALA 126 N 1.79 0.00 1.50 3.03 0.00 0.19 -4.93 120.51 122.10 1x3b n ALA 126 Ca 0.02 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.60 1x3b n ALA 126 Cb 0.44 0.00 0.61 0.00 0.00 0.00 0.00 19.45 20.51 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 -0.20 0.00 -2.57 0.00 -2.24 -1.26 -4.32 114.28 103.69 1x3b n THR 127 Ca 0.00 -0.11 -0.02 0.00 -2.27 0.00 0.00 64.05 61.66 1x3b n THR 127 Cb 0.00 0.06 -0.01 0.00 -2.10 0.00 0.00 70.33 68.28 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 -0.64 -0.52 0.00 3.42 6.94 -1.26 -5.00 115.26 118.20 1x3b n ASN 128 Ca 0.17 -1.29 0.00 0.00 -0.02 0.00 0.00 54.58 53.44 1x3b n ASN 128 Cb 0.28 0.47 0.00 0.00 -2.36 0.00 0.00 39.78 38.17 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 -0.27 -1.41 3.29 4.83 0.00 -1.26 -3.98 105.19 106.38 1x3b n GLY 129 Ca -0.14 -1.09 -0.15 0.00 0.00 0.00 0.00 46.02 44.63 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 -2.93 0.41 0.00 1.61 0.11 -1.23 0.54 120.40 118.91 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 -2.60 0.02 0.00 -1.53 0.00 0.00 36.38 32.27 1x3b s VAL 130 CO 0.00 -0.00 0.28 -0.69 -3.33 0.00 0.00 175.10 171.36 1x3b s VAL 131 N -3.86 0.07 -0.32 2.04 1.01 0.15 -3.56 120.40 115.93 1x3b s VAL 131 Ca 0.38 -0.56 -0.02 0.00 0.00 0.00 0.00 61.98 61.78 1x3b s VAL 131 Cb 0.08 -0.66 0.11 0.00 0.00 0.00 0.00 36.38 35.90 1x3b s VAL 131 CO 0.13 -0.31 0.15 -1.00 0.00 0.00 0.00 175.10 174.08 1x3b s HIS 132 N -1.61 0.71 0.05 5.22 3.76 -0.91 -1.32 115.29 121.20 1x3b s HIS 132 Ca -0.12 -1.28 -0.33 0.00 -0.15 0.00 0.00 55.06 53.18 1x3b s HIS 132 Cb -0.05 -1.07 -0.12 0.00 1.11 0.00 0.00 32.58 32.45 1x3b s HIS 132 CO 0.02 -0.83 1.78 0.28 -0.85 0.00 0.00 174.74 175.14 1x3b n VAL 133 N 4.78 0.36 -3.17 -0.90 0.31 -1.21 -3.70 118.33 114.80 1x3b n VAL 133 Ca 0.00 -0.06 -0.18 0.00 -0.01 0.00 0.00 64.34 64.08 1x3b n VAL 133 Cb 0.40 -1.87 0.00 0.00 -0.91 0.00 0.00 33.84 31.47 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 2.76 2.83 -0.27 2.52 -4.36 -0.19 0.26 121.20 124.74 1x3b s ILE 134 Ca 0.85 -1.10 0.08 0.00 -0.26 0.00 0.00 60.65 60.23 1x3b s ILE 134 Cb -0.61 -2.93 0.45 0.00 1.25 0.00 0.00 42.46 40.62 1x3b s ILE 134 CO 0.43 0.00 1.21 0.35 0.24 0.00 0.00 174.94 177.17 1x3b n THR 135 N -1.80 2.43 0.00 8.37 -2.24 -1.19 -3.02 114.28 116.83 1x3b n THR 135 Ca 0.07 -3.87 0.00 0.00 -2.27 0.00 0.00 64.05 57.98 1x3b n THR 135 Cb 0.60 -0.83 0.00 0.00 -2.10 0.00 0.00 70.33 68.00 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 -0.85 0.00 -4.66 3.42 4.13 -1.26 -4.83 115.26 111.20 1x3b n ASN 136 Ca 0.36 0.00 -0.43 0.00 1.68 0.00 0.00 54.58 56.19 1x3b n ASN 136 Cb 0.88 0.00 -0.02 0.00 -1.54 0.00 0.00 39.78 39.09 1x3b n ASN 136 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1x3b s VAL 137 N -2.00 4.34 0.73 2.41 1.01 -1.26 -4.71 120.40 120.92 1x3b s VAL 137 Ca 0.00 1.62 -0.11 0.00 0.00 0.00 0.00 61.98 63.49 1x3b s VAL 137 Cb 0.00 -4.05 0.03 0.00 0.00 0.00 0.00 36.38 32.36 1x3b s VAL 137 CO 0.00 -0.13 1.07 -0.76 0.00 0.00 0.00 175.10 175.28 1x3b s LEU 138 N 3.33 3.04 0.04 3.92 1.43 -1.26 -5.07 118.68 124.10 1x3b s LEU 138 Ca 0.53 1.64 0.02 0.00 -1.03 0.00 0.00 54.13 55.29 1x3b s LEU 138 Cb -0.21 -4.44 -0.02 0.00 0.03 0.00 0.00 46.19 41.55 1x3b s LEU 138 CO 0.14 -1.67 -0.06 -1.10 0.23 0.00 0.00 176.35 173.89 1x3b s GLN 139 N -5.02 0.48 -0.10 1.70 -0.21 -1.26 -5.05 119.66 110.20 1x3b s GLN 139 Ca 0.59 -0.74 -0.30 0.00 0.02 0.00 0.00 55.36 54.94 1x3b s GLN 139 Cb -0.15 -0.18 -0.03 0.00 1.00 0.00 0.00 33.01 33.66 1x3b s GLN 139 CO 0.55 0.02 1.24 -1.25 -2.12 0.00 0.00 175.29 173.73 1x3b s PRO 140 N -1.62 4.30 -0.27 2.91 0.04 -1.26 -4.92 135.00 134.17 1x3b s PRO 140 Ca -0.11 1.69 -0.35 0.00 0.04 0.00 0.00 61.00 62.27 1x3b s PRO 140 Cb -0.09 -3.65 -0.11 0.00 0.04 0.00 0.00 34.50 30.68 1x3b s PRO 140 CO -0.00 -0.57 2.07 0.43 0.04 0.00 0.00 177.00 178.98 1x3b n SER 141 N 5.81 2.57 -4.86 6.66 7.64 -1.26 -4.92 113.62 125.26 1x3b n SER 141 Ca 0.12 0.59 -0.31 0.00 1.01 0.00 0.00 58.87 60.28 1x3b n SER 141 Cb 0.45 -1.30 -0.01 0.00 -1.01 0.00 0.00 64.21 62.34 1x3b n SER 141 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1x3b s GLY 142 N 6.26 1.86 -0.83 0.23 0.00 -1.26 -4.96 107.32 108.62 1x3b s GLY 142 Ca 1.04 0.01 -0.25 0.00 0.00 0.00 0.00 44.72 45.51 1x3b s GLY 142 CO 0.50 0.27 1.63 2.56 0.00 0.00 0.00 173.10 178.07 1x3b s PRO 143 N -4.55 3.00 -0.13 2.90 0.04 -1.26 -4.39 135.00 130.61 1x3b s PRO 143 Ca 0.56 -0.29 -0.03 0.00 0.04 0.00 0.00 61.00 61.28 1x3b s PRO 143 Cb -0.10 -4.77 0.01 0.00 0.04 0.00 0.00 34.50 29.68 1x3b s PRO 143 CO 0.41 -2.62 0.06 0.43 0.04 0.00 0.00 177.00 175.33 1x3b n SER 144 N 11.23 -5.68 -3.52 6.66 7.64 -1.26 -5.02 113.62 123.66 1x3b n SER 144 Ca 0.25 1.05 -0.17 0.00 1.01 0.00 0.00 58.87 61.01 1x3b n SER 144 Cb 0.50 -3.53 -0.13 0.00 -1.01 0.00 0.00 64.21 60.04 1x3b n SER 144 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1x3b s SER 145 N -0.87 1.07 0.00 6.43 0.15 -1.26 -5.30 113.70 113.92 1x3b s SER 145 Ca -0.07 -0.01 0.00 0.00 0.70 0.00 0.00 55.95 56.57 1x3b s SER 145 Cb 0.00 0.48 0.00 0.00 -1.71 0.00 0.00 66.02 64.80 1x3b s SER 145 CO 0.42 -0.30 0.00 0.61 1.20 0.00 0.00 173.24 175.16