#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 -0.84 -0.30 1.61 0.15 -1.26 -5.13 113.70 107.94 1x3b s SER 2 Ca 0.00 0.51 0.00 0.00 0.70 0.00 0.00 55.95 57.16 1x3b s SER 2 Cb 0.00 1.70 0.19 0.00 -1.71 0.00 0.00 66.02 66.20 1x3b s SER 2 CO 0.00 -0.16 0.65 -0.44 1.20 0.00 0.00 173.24 174.49 1x3b s SER 3 N 2.92 -1.36 0.00 5.45 0.01 -1.26 -5.16 113.70 114.29 1x3b s SER 3 Ca 0.08 0.54 0.00 0.00 1.31 0.00 0.00 55.95 57.89 1x3b s SER 3 Cb -0.12 2.02 0.00 0.00 0.21 0.00 0.00 66.02 68.13 1x3b s SER 3 CO -0.15 -0.25 0.00 0.61 0.41 0.00 0.00 173.24 173.85 1x3b n GLY 4 N 5.41 4.60 1.12 3.44 0.00 -1.26 -5.13 105.19 113.38 1x3b n GLY 4 Ca 0.01 -1.55 0.14 0.00 0.00 0.00 0.00 46.02 44.63 1x3b n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x3b n SER 5 N -1.52 -6.67 -4.32 1.61 7.64 -1.26 -4.47 113.62 104.62 1x3b n SER 5 Ca 0.00 0.85 -0.44 0.00 1.01 0.00 0.00 58.87 60.28 1x3b n SER 5 Cb 0.00 -3.67 0.00 0.00 -1.01 0.00 0.00 64.21 59.54 1x3b n SER 5 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1x3b n SER 6 N -3.90 5.51 -0.86 6.43 2.88 -1.26 -4.96 113.62 117.47 1x3b n SER 6 Ca -0.04 -3.06 0.11 0.00 -1.33 0.00 0.00 58.87 54.55 1x3b n SER 6 Cb 0.53 -1.43 -0.04 0.00 -0.75 0.00 0.00 64.21 62.51 1x3b n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x3b n GLY 7 N 2.95 -2.44 3.57 0.46 0.00 -1.26 -5.02 105.19 103.46 1x3b n GLY 7 Ca 0.29 -1.26 -0.01 0.00 0.00 0.00 0.00 46.02 45.03 1x3b n GLY 7 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1x3b s MET 8 N -2.85 0.49 -0.16 1.61 1.00 -1.26 -5.12 119.30 113.01 1x3b s MET 8 Ca 0.00 1.11 -0.03 0.00 0.00 0.00 0.00 55.69 56.76 1x3b s MET 8 Cb 0.00 0.53 0.05 0.00 0.00 0.00 0.00 34.83 35.41 1x3b s MET 8 CO 0.00 -0.15 0.05 0.20 0.00 0.00 0.00 175.02 175.12 1x3b s GLY 9 N 2.36 0.55 1.20 -0.03 0.00 -1.26 -5.04 107.32 105.11 1x3b s GLY 9 Ca -0.06 -0.46 -0.16 0.00 0.00 0.00 0.00 44.72 44.03 1x3b s GLY 9 CO -0.18 1.46 1.04 -0.51 0.00 0.00 0.00 173.10 174.91 1x3b s THR 10 N 1.97 1.73 0.18 0.90 -4.23 -1.26 -3.93 115.64 111.00 1x3b s THR 10 Ca 0.01 0.00 -0.17 0.00 -1.18 0.00 0.00 61.69 60.35 1x3b s THR 10 Cb -0.16 -2.27 0.15 0.00 1.34 0.00 0.00 72.50 71.57 1x3b s THR 10 CO -0.08 0.00 1.31 0.55 -0.54 0.00 0.00 174.62 175.87 1x3b n VAL 11 N -4.89 -0.47 0.21 2.29 3.14 -1.26 0.13 118.33 117.48 1x3b n VAL 11 Ca 0.08 2.00 -0.13 0.00 -2.96 0.00 0.00 64.34 63.32 1x3b n VAL 11 Cb 0.58 -2.61 -0.07 0.00 -1.06 0.00 0.00 33.84 30.68 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 -0.71 -0.63 1.45 2.86 -1.89 -2.58 114.93 113.43 1x3b h MET 12 Ca 0.26 0.05 0.13 0.00 -2.06 0.00 0.00 59.70 58.08 1x3b h MET 12 Cb 0.48 0.16 -0.12 0.00 0.06 0.00 0.00 31.60 32.18 1x3b h MET 12 CO -0.83 -0.47 -0.16 0.22 1.06 0.00 0.00 176.91 176.72 1x3b h ASP 13 N -0.74 -0.60 -1.57 1.22 1.82 -1.05 1.13 116.42 116.63 1x3b h ASP 13 Ca -0.05 0.19 0.46 0.00 -0.39 0.00 0.00 57.03 57.24 1x3b h ASP 13 Cb 0.64 0.40 -0.07 0.00 0.68 0.00 0.00 39.33 40.98 1x3b h ASP 13 CO -0.05 -0.21 1.12 0.58 -1.61 0.00 0.00 179.24 179.07 1x3b h VAL 14 N -0.01 0.20 0.17 2.25 2.07 0.15 1.69 116.25 122.77 1x3b h VAL 14 Ca 0.30 -0.01 -0.26 0.00 0.82 0.00 0.00 66.70 67.55 1x3b h VAL 14 Cb 0.47 0.18 0.02 0.00 -1.52 0.00 0.00 31.29 30.43 1x3b h VAL 14 CO -0.65 0.00 -1.21 -0.07 0.02 0.00 0.00 177.57 175.66 1x3b h LEU 15 N 0.02 0.58 -0.25 2.57 3.38 0.16 -3.05 115.31 118.71 1x3b h LEU 15 Ca 0.77 -0.92 0.02 0.00 0.09 0.00 0.00 57.88 57.84 1x3b h LEU 15 Cb 2.99 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 43.52 1x3b h LEU 15 CO -0.05 1.57 0.09 0.11 0.09 0.00 0.00 178.44 180.25 1x3b h LYS 16 N -0.17 0.21 -0.12 1.13 1.57 0.33 -2.68 116.57 116.85 1x3b h LYS 16 Ca -0.23 -0.01 0.04 0.00 -1.87 0.00 0.00 60.65 58.58 1x3b h LYS 16 Cb 1.86 -0.05 -0.05 0.00 0.08 0.00 0.00 32.23 34.08 1x3b h LYS 16 CO 0.17 0.14 -0.16 0.78 -0.57 0.00 0.00 179.45 179.81 1x3b h GLY 17 N 0.21 -0.11 -4.79 3.86 0.00 -0.11 -3.40 103.07 98.74 1x3b h GLY 17 Ca 0.11 0.20 -0.55 0.00 0.00 0.00 0.00 47.33 47.09 1x3b h GLY 17 CO -0.10 -0.16 0.72 0.99 0.00 0.00 0.00 176.54 177.99 1x3b s ASP 18 N -5.04 7.00 0.09 0.19 1.11 -1.01 -4.92 116.67 114.10 1x3b s ASP 18 Ca -0.14 1.90 -0.16 0.00 0.18 0.00 0.00 52.55 54.33 1x3b s ASP 18 Cb 0.10 -2.56 -0.10 0.00 1.07 0.00 0.00 42.92 41.44 1x3b s ASP 18 CO 0.67 -0.61 1.40 0.78 1.18 0.00 0.00 175.17 178.60 1x3b h ASN 19 N 7.51 0.70 -1.18 0.27 4.21 -1.78 -3.01 115.58 122.31 1x3b h ASN 19 Ca -0.36 -0.48 0.43 0.00 1.21 0.00 0.00 56.30 57.11 1x3b h ASN 19 Cb 1.17 -0.20 -0.14 0.00 -1.12 0.00 0.00 38.32 38.03 1x3b h ASN 19 CO 0.88 1.04 0.72 0.54 -1.29 0.00 0.00 177.43 179.33 1x3b n ARG 20 N -4.29 -0.04 -2.59 0.81 1.74 -1.26 0.88 116.66 111.90 1x3b n ARG 20 Ca -0.04 1.22 -0.31 0.00 -0.77 0.00 0.00 57.85 57.95 1x3b n ARG 20 Cb 0.47 -2.33 -0.01 0.00 -1.02 0.00 0.00 32.46 29.57 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 -4.78 3.49 -0.05 -1.55 3.72 -1.14 -3.48 117.46 113.68 1x3b n PHE 21 Ca 0.37 -3.24 -0.03 0.00 -0.05 0.00 0.00 57.45 54.50 1x3b n PHE 21 Cb 1.39 -0.57 -0.01 0.00 -0.94 0.00 0.00 39.48 39.35 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 3.04 0.00 -0.67 4.37 4.64 0.40 -3.30 113.55 122.02 1x3b h SER 22 Ca 0.31 0.00 0.20 0.00 -0.47 0.00 0.00 61.79 61.83 1x3b h SER 22 Cb 0.54 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.61 1x3b h SER 22 CO 0.98 0.52 0.77 0.24 -0.87 0.00 0.00 176.83 178.47 1x3b h MET 23 N -0.72 0.00 0.25 4.77 2.86 -1.86 0.29 114.93 120.52 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 0.32 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.99 1x3b h MET 23 CO 0.00 0.00 -0.12 1.25 1.06 0.00 0.00 176.91 179.10 1x3b h LEU 24 N 0.00 -0.28 -0.56 1.22 5.85 -1.91 -3.07 115.31 116.55 1x3b h LEU 24 Ca 0.32 -0.23 0.07 0.00 0.84 0.00 0.00 57.88 58.88 1x3b h LEU 24 Cb 1.86 0.07 -0.10 0.00 0.37 0.00 0.00 40.66 42.86 1x3b h LEU 24 CO -0.00 0.13 -0.51 0.58 -0.34 0.00 0.00 178.44 178.29 1x3b h VAL 25 N -0.76 0.03 -0.99 1.05 2.07 -0.50 0.60 116.25 117.76 1x3b h VAL 25 Ca -0.03 0.00 0.32 0.00 0.82 0.00 0.00 66.70 67.80 1x3b h VAL 25 Cb 0.50 0.03 -0.18 0.00 -1.52 0.00 0.00 31.29 30.12 1x3b h VAL 25 CO 0.06 0.00 0.22 0.00 0.02 0.00 0.00 177.57 177.87 1x3b h ALA 26 N 0.30 1.52 -0.25 1.67 0.00 -1.55 1.61 119.26 122.55 1x3b h ALA 26 Ca 0.13 0.31 0.03 0.00 0.00 0.00 0.00 54.91 55.38 1x3b h ALA 26 Cb 0.56 0.48 -0.03 0.00 0.00 0.00 0.00 17.79 18.80 1x3b h ALA 26 CO -0.68 -0.69 0.05 0.00 0.00 0.00 0.00 179.25 177.93 1x3b h ALA 27 N 1.97 0.26 0.48 0.00 0.00 0.28 0.11 119.26 122.36 1x3b h ALA 27 Ca 0.68 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.61 1x3b h ALA 27 Cb 1.56 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.41 1x3b h ALA 27 CO -0.85 -0.36 -0.23 0.82 0.00 0.00 0.00 179.25 178.63 1x3b h ILE 28 N 0.15 0.00 -0.95 0.00 2.04 0.29 0.33 117.51 119.37 1x3b h ILE 28 Ca 0.11 -0.05 0.17 0.00 1.00 0.00 0.00 64.86 66.09 1x3b h ILE 28 Cb 0.11 0.00 -0.17 0.00 -0.74 0.00 0.00 36.82 36.02 1x3b h ILE 28 CO -0.15 0.00 -0.31 1.67 0.00 0.00 0.00 178.15 179.36 1x3b n GLN 29 N -3.85 -0.16 -0.08 2.37 0.00 0.87 0.20 117.38 116.72 1x3b n GLN 29 Ca -0.08 1.48 -0.10 0.00 -0.00 0.00 0.00 57.00 58.30 1x3b n GLN 29 Cb 0.25 -2.20 -0.02 0.00 0.00 0.00 0.00 30.24 28.27 1x3b n GLN 29 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.06 178.09 1x3b h SER 30 N 0.00 0.34 -0.29 1.69 0.87 -0.69 -1.83 113.55 113.64 1x3b h SER 30 Ca 0.39 -0.08 -0.00 0.00 -1.23 0.00 0.00 61.79 60.87 1x3b h SER 30 Cb 0.63 -0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 62.48 1x3b h SER 30 CO -0.96 0.32 0.18 0.00 -0.53 0.00 0.00 176.83 175.83 1x3b h ALA 31 N 1.04 1.73 -0.86 6.23 0.00 0.48 -3.47 119.26 124.41 1x3b h ALA 31 Ca 0.10 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1x3b h ALA 31 Cb 0.05 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1x3b h ALA 31 CO -0.02 0.23 0.00 0.41 0.00 0.00 0.00 179.25 179.88 1x3b n GLY 32 N -1.41 0.90 0.02 0.00 0.00 0.52 -4.83 105.19 100.39 1x3b n GLY 32 Ca 0.02 -0.50 0.06 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.43 0.00 -0.18 0.99 4.77 -1.14 -4.61 117.00 116.40 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 0.38 0.07 -0.05 0.00 -2.33 0.00 0.00 43.42 41.49 1x3b n LEU 33 CO 0.00 0.07 0.49 0.74 -1.33 0.00 0.00 177.39 177.36 1x3b h THR 34 N 0.00 0.00 -0.92 -5.08 2.02 -1.89 0.16 112.91 107.20 1x3b h THR 34 Ca -0.07 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.19 1x3b h THR 34 Cb 1.00 0.00 -0.11 0.00 -1.74 0.00 0.00 68.15 67.29 1x3b h THR 34 CO 0.00 0.00 -0.53 -0.62 0.37 0.00 0.00 175.52 174.74 1x3b n GLU 35 N -4.03 -0.39 -0.12 6.66 1.02 -1.26 0.20 120.64 122.71 1x3b n GLU 35 Ca 0.01 1.40 -0.13 0.00 -0.02 0.00 0.00 57.16 58.42 1x3b n GLU 35 Cb 0.12 -2.05 -0.09 0.00 -0.02 0.00 0.00 31.44 29.40 1x3b n GLU 35 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 1x3b h THR 36 N 0.00 0.00 0.00 2.62 2.02 -1.31 1.38 112.91 117.62 1x3b h THR 36 Ca 0.16 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.34 1x3b h THR 36 Cb 0.39 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.80 1x3b h THR 36 CO -0.87 0.00 0.00 0.18 0.37 0.00 0.00 175.52 175.20 1x3b n LEU 37 N -5.14 0.25 -1.34 2.58 4.77 0.29 -0.83 117.00 117.58 1x3b n LEU 37 Ca -0.03 0.59 0.02 0.00 -0.03 0.00 0.00 56.01 56.56 1x3b n LEU 37 Cb 0.31 -0.59 0.22 0.00 -2.33 0.00 0.00 43.42 41.03 1x3b n LEU 37 CO 0.01 -0.55 0.65 -3.20 -1.33 0.00 0.00 177.39 172.97 1x3b n ASN 38 N -1.81 3.67 -4.09 -1.43 2.85 0.53 -4.64 115.26 110.33 1x3b n ASN 38 Ca 0.01 -2.58 -0.22 0.00 -0.11 0.00 0.00 54.58 51.68 1x3b n ASN 38 Cb 0.10 -0.62 -0.15 0.00 1.24 0.00 0.00 39.78 40.35 1x3b n ASN 38 CO 0.00 0.00 0.00 -0.13 -2.11 0.00 0.00 177.26 175.02 1x3b s ARG 39 N -1.99 1.16 0.55 1.20 0.52 -0.01 -4.95 118.95 115.43 1x3b s ARG 39 Ca 0.31 -0.48 -0.20 0.00 -0.52 0.00 0.00 55.73 54.84 1x3b s ARG 39 Cb 0.24 -1.10 -0.06 0.00 0.52 0.00 0.00 34.95 34.54 1x3b s ARG 39 CO 0.09 0.27 0.96 -0.85 0.02 0.00 0.00 175.30 175.79 1x3b n GLU 40 N 2.84 1.02 0.00 3.54 0.28 -1.26 -4.75 120.64 122.31 1x3b n GLU 40 Ca -0.15 0.38 0.00 0.00 -0.16 0.00 0.00 57.16 57.24 1x3b n GLU 40 Cb 0.55 -2.12 0.00 0.00 1.43 0.00 0.00 31.44 31.30 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 1.28 0.16 3.13 -1.84 0.00 -1.24 -5.09 105.19 101.58 1x3b n GLY 41 Ca 0.12 -0.68 -0.12 0.00 0.00 0.00 0.00 46.02 45.35 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 -0.21 -0.03 -0.26 1.61 -7.23 -1.25 -4.35 120.40 108.66 1x3b s VAL 42 Ca 0.00 0.13 -0.06 0.00 -1.81 0.00 0.00 61.98 60.24 1x3b s VAL 42 Cb 0.00 -0.46 0.14 0.00 0.56 0.00 0.00 36.38 36.62 1x3b s VAL 42 CO 0.00 0.05 0.53 -0.31 -0.31 0.00 0.00 175.10 175.06 1x3b s TYR 43 N 1.28 -1.18 -0.56 2.82 2.02 -1.26 -3.66 117.35 116.82 1x3b s TYR 43 Ca -0.09 1.71 -0.19 0.00 -0.37 0.00 0.00 57.07 58.12 1x3b s TYR 43 Cb -0.10 0.48 0.08 0.00 -0.40 0.00 0.00 41.96 42.02 1x3b s TYR 43 CO -0.10 -0.68 0.70 0.99 -1.57 0.00 0.00 175.55 174.88 1x3b s THR 44 N 2.75 4.79 0.11 -0.71 2.01 -1.18 -3.48 115.64 119.93 1x3b s THR 44 Ca 0.05 -0.67 0.05 0.00 0.31 0.00 0.00 61.69 61.43 1x3b s THR 44 Cb -0.13 -4.42 -0.04 0.00 0.01 0.00 0.00 72.50 67.92 1x3b s THR 44 CO -0.17 -1.00 0.04 -0.69 -0.69 0.00 0.00 174.62 172.10 1x3b s VAL 45 N 2.81 4.17 -0.20 3.82 1.01 -1.24 0.09 120.40 130.86 1x3b s VAL 45 Ca 0.15 -1.03 0.01 0.00 0.00 0.00 0.00 61.98 61.11 1x3b s VAL 45 Cb -0.21 -3.04 0.04 0.00 0.00 0.00 0.00 36.38 33.18 1x3b s VAL 45 CO 0.10 0.04 -0.10 -0.36 0.00 0.00 0.00 175.10 174.78 1x3b s PHE 46 N -1.47 2.42 -0.28 5.22 0.08 -1.09 -1.93 117.98 120.93 1x3b s PHE 46 Ca 0.28 -1.62 -0.08 0.00 0.12 0.00 0.00 56.93 55.63 1x3b s PHE 46 Cb -0.11 -1.63 -0.01 0.00 -0.57 0.00 0.00 43.02 40.69 1x3b s PHE 46 CO 0.20 -0.75 0.10 0.00 -0.10 0.00 0.00 175.22 174.67 1x3b s ALA 47 N 1.39 3.16 1.07 5.36 0.00 -1.24 -4.81 121.76 126.69 1x3b s ALA 47 Ca -0.02 -1.31 -0.10 0.00 0.00 0.00 0.00 51.96 50.53 1x3b s ALA 47 Cb -0.17 -2.19 0.15 0.00 0.00 0.00 0.00 23.12 20.92 1x3b s ALA 47 CO -0.08 -0.74 0.69 -0.35 0.00 0.00 0.00 175.76 175.27 1x3b n PRO 48 N 4.92 -1.45 0.00 0.00 -0.04 -1.26 -1.44 135.00 135.74 1x3b n PRO 48 Ca -0.15 -1.07 0.00 0.00 -0.04 0.00 0.00 63.50 62.24 1x3b n PRO 48 Cb 0.50 -0.84 0.00 0.00 -0.04 0.00 0.00 33.50 33.11 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 -3.42 0.00 -0.03 0.52 -2.24 -1.14 -4.65 114.28 103.32 1x3b n THR 49 Ca 0.09 0.00 -0.18 0.00 -2.27 0.00 0.00 64.05 61.69 1x3b n THR 49 Cb 0.33 -1.68 -0.13 0.00 -2.10 0.00 0.00 70.33 66.74 1x3b n THR 49 CO 0.00 0.00 0.00 -1.13 -0.57 0.00 0.00 175.07 173.37 1x3b h ASN 50 N -0.29 0.19 0.86 3.42 -0.73 -1.93 -3.29 115.58 113.81 1x3b h ASN 50 Ca 0.00 -0.87 0.00 0.00 1.87 0.00 0.00 56.30 57.30 1x3b h ASN 50 Cb 0.00 -0.06 0.00 0.00 0.27 0.00 0.00 38.32 38.53 1x3b h ASN 50 CO 0.00 1.31 0.00 -0.33 -0.37 0.00 0.00 177.43 178.04 1x3b h GLU 51 N -0.70 0.00 -0.49 6.67 5.08 -1.94 -2.79 114.58 120.40 1x3b h GLU 51 Ca -0.16 0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.28 1x3b h GLU 51 Cb 1.37 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.59 1x3b h GLU 51 CO 0.01 0.00 0.33 0.00 -1.00 0.00 0.00 179.01 178.36 1x3b h ALA 52 N 2.26 2.00 0.14 3.43 0.00 -1.80 -1.47 119.26 123.82 1x3b h ALA 52 Ca 0.00 -0.01 -0.21 0.00 0.00 0.00 0.00 54.91 54.69 1x3b h ALA 52 Cb 0.43 -0.08 0.02 0.00 0.00 0.00 0.00 17.79 18.16 1x3b h ALA 52 CO 0.00 -0.10 -0.94 0.74 0.00 0.00 0.00 179.25 178.95 1x3b h PHE 53 N 0.36 0.54 -0.28 0.00 -1.00 -1.67 -3.26 116.94 111.63 1x3b h PHE 53 Ca 0.22 -0.40 0.08 0.00 2.81 0.00 0.00 57.97 60.69 1x3b h PHE 53 Cb 0.41 -0.02 -0.01 0.00 3.61 0.00 0.00 35.95 39.94 1x3b h PHE 53 CO -0.00 1.36 0.36 0.00 -1.61 0.00 0.00 178.31 178.43 1x3b h ARG 54 N -0.35 0.00 -0.19 1.51 3.08 -1.43 0.47 114.38 117.47 1x3b h ARG 54 Ca -0.17 0.00 -0.20 0.00 0.07 0.00 0.00 59.98 59.68 1x3b h ARG 54 Cb 1.68 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.73 1x3b h ARG 54 CO 0.14 0.00 -0.67 0.00 -1.07 0.00 0.00 179.97 178.37 1x3b h ALA 55 N 1.53 0.47 -2.16 0.04 0.00 -1.34 -3.45 119.26 114.36 1x3b h ALA 55 Ca 0.13 -0.56 -0.59 0.00 0.00 0.00 0.00 54.91 53.89 1x3b h ALA 55 Cb 0.86 -0.05 0.11 0.00 0.00 0.00 0.00 17.79 18.71 1x3b h ALA 55 CO -0.00 0.70 0.22 1.28 0.00 0.00 0.00 179.25 181.45 1x3b n LEU 56 N -3.94 2.30 -4.80 0.00 4.77 0.16 -4.95 117.00 110.53 1x3b n LEU 56 Ca -0.05 1.17 -0.30 0.00 -0.03 0.00 0.00 56.01 56.80 1x3b n LEU 56 Cb 0.68 -1.34 0.10 0.00 -2.33 0.00 0.00 43.42 40.53 1x3b n LEU 56 CO 0.50 -1.20 0.71 -2.16 -1.33 0.00 0.00 177.39 173.92 1x3b s PRO 57 N -1.69 1.96 0.00 3.23 0.04 -1.26 -4.73 135.00 132.55 1x3b s PRO 57 Ca 0.58 0.60 0.23 0.00 0.04 0.00 0.00 61.00 62.45 1x3b s PRO 57 Cb -0.65 -1.91 1.37 0.00 0.04 0.00 0.00 34.50 33.35 1x3b s PRO 57 CO 0.60 -1.70 1.75 -0.35 0.04 0.00 0.00 177.00 177.35 1x3b n PRO 58 N -3.48 0.75 -0.05 0.56 -0.04 -1.26 0.14 135.00 131.63 1x3b n PRO 58 Ca 0.07 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.32 1x3b n PRO 58 Cb 0.57 -1.48 -0.13 0.00 -0.04 0.00 0.00 33.50 32.42 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 -0.98 0.71 -0.11 0.54 3.00 -1.26 -3.98 116.66 114.59 1x3b n ARG 59 Ca 0.17 0.25 -0.24 0.00 -0.00 0.00 0.00 57.85 58.03 1x3b n ARG 59 Cb 0.08 -1.65 -0.11 0.00 0.00 0.00 0.00 32.46 30.78 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 -3.50 0.62 0.06 -0.14 2.13 -1.13 -3.79 120.64 114.88 1x3b n GLU 60 Ca -0.37 0.34 -0.16 0.00 0.66 0.00 0.00 57.16 57.63 1x3b n GLU 60 Cb 1.00 -1.60 -0.10 0.00 0.27 0.00 0.00 31.44 31.01 1x3b n GLU 60 CO 0.00 0.00 0.00 -0.09 -0.41 0.00 0.00 177.13 176.63 1x3b h ARG 61 N -0.68 -0.64 0.08 5.31 2.43 -0.56 0.25 114.38 120.56 1x3b h ARG 61 Ca -0.54 0.04 0.01 0.00 -0.81 0.00 0.00 59.98 58.68 1x3b h ARG 61 Cb 1.63 0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 31.30 1x3b h ARG 61 CO -0.24 -0.43 -0.33 1.03 -1.51 0.00 0.00 179.97 178.49 1x3b h SER 62 N -0.67 -1.00 -0.87 -3.80 0.87 -1.70 -1.73 113.55 104.65 1x3b h SER 62 Ca 0.01 0.10 0.08 0.00 -1.23 0.00 0.00 61.79 60.76 1x3b h SER 62 Cb 0.71 0.37 -0.11 0.00 -0.44 0.00 0.00 62.40 62.93 1x3b h SER 62 CO -0.35 -0.35 -0.49 0.54 -0.53 0.00 0.00 176.83 175.64 1x3b n ARG 63 N -4.35 -0.36 -0.21 2.24 3.00 -1.08 0.20 116.66 116.11 1x3b n ARG 63 Ca -0.05 1.31 -0.13 0.00 -0.01 0.00 0.00 57.85 58.97 1x3b n ARG 63 Cb 0.26 -1.93 -0.09 0.00 0.00 0.00 0.00 32.46 30.69 1x3b n ARG 63 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.63 177.56 1x3b h LEU 64 N 0.00 -1.90 -2.27 0.55 3.38 -0.52 1.53 115.31 116.08 1x3b h LEU 64 Ca 0.16 0.26 -0.01 0.00 0.09 0.00 0.00 57.88 58.38 1x3b h LEU 64 Cb 0.37 0.80 -0.00 0.00 0.09 0.00 0.00 40.66 41.92 1x3b h LEU 64 CO -0.82 -0.36 -0.04 -0.07 0.09 0.00 0.00 178.44 177.24 1x3b h LEU 65 N -0.29 0.00 0.00 1.67 3.38 0.61 -3.35 115.31 117.33 1x3b h LEU 65 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1x3b h LEU 65 Cb 0.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.30 1x3b h LEU 65 CO -0.68 0.04 0.00 0.61 0.09 0.00 0.00 178.44 178.49 1x3b n GLY 66 N -1.17 1.54 3.76 0.83 0.00 0.55 -4.86 105.19 105.83 1x3b n GLY 66 Ca -0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.58 1x3b n GLY 66 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1x3b s ASP 67 N -1.08 6.38 -0.13 1.61 1.01 0.21 -4.92 116.67 119.74 1x3b s ASP 67 Ca 0.00 2.96 -0.20 0.00 0.71 0.00 0.00 52.55 56.03 1x3b s ASP 67 Cb 0.00 -2.64 -0.25 0.00 1.01 0.00 0.00 42.92 41.03 1x3b s ASP 67 CO 0.00 -0.89 0.53 0.00 0.21 0.00 0.00 175.17 175.02 1x3b h ALA 68 N 4.34 0.16 -0.50 5.23 0.00 -1.85 -3.08 119.26 123.56 1x3b h ALA 68 Ca -0.48 -1.00 0.06 0.00 0.00 0.00 0.00 54.91 53.49 1x3b h ALA 68 Cb 1.23 0.44 -0.09 0.00 0.00 0.00 0.00 17.79 19.37 1x3b h ALA 68 CO 0.75 0.64 -0.53 0.87 0.00 0.00 0.00 179.25 180.97 1x3b h LYS 69 N -0.59 -0.31 -0.72 0.00 1.79 -1.94 0.52 116.57 115.32 1x3b h LYS 69 Ca -0.26 0.02 0.04 0.00 -2.18 0.00 0.00 60.65 58.28 1x3b h LYS 69 Cb 1.52 0.07 -0.04 0.00 -1.58 0.00 0.00 32.23 32.20 1x3b h LYS 69 CO -0.01 -0.21 0.47 0.93 -1.08 0.00 0.00 179.45 179.55 1x3b h GLU 70 N -0.33 0.82 0.00 3.15 5.08 -1.94 -0.45 114.58 120.91 1x3b h GLU 70 Ca 0.10 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1x3b h GLU 70 Cb 0.57 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.64 1x3b h GLU 70 CO -0.65 0.54 0.00 -0.11 -1.00 0.00 0.00 179.01 177.79 1x3b n LEU 71 N -4.46 0.00 -0.36 1.33 0.00 0.14 -1.67 117.00 111.98 1x3b n LEU 71 Ca 0.09 1.00 0.30 0.00 0.00 0.00 0.00 56.01 57.40 1x3b n LEU 71 Cb 0.15 -0.50 0.62 0.00 0.00 0.00 0.00 43.42 43.69 1x3b n LEU 71 CO 0.34 -0.50 1.26 0.00 0.00 0.00 0.00 177.39 178.50 1x3b h ALA 72 N -1.90 2.65 -0.35 1.96 0.00 -0.22 0.64 119.26 122.03 1x3b h ALA 72 Ca 0.00 0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.01 1x3b h ALA 72 Cb 0.00 0.08 -0.06 0.00 0.00 0.00 0.00 17.79 17.82 1x3b h ALA 72 CO 0.00 -1.08 0.00 -0.97 0.00 0.00 0.00 179.25 177.20 1x3b h ASN 73 N 0.20 -0.14 -0.04 0.00 -1.24 -0.53 1.47 115.58 115.31 1x3b h ASN 73 Ca 0.64 0.08 -0.01 0.00 0.71 0.00 0.00 56.30 57.72 1x3b h ASN 73 Cb 2.00 0.14 -0.00 0.00 0.73 0.00 0.00 38.32 41.19 1x3b h ASN 73 CO -0.22 -0.03 -0.00 0.40 -1.29 0.00 0.00 177.43 176.28 1x3b h ILE 74 N 0.10 1.26 -0.22 2.57 1.08 0.12 -2.65 117.51 119.76 1x3b h ILE 74 Ca 0.17 -0.81 0.05 0.00 -0.39 0.00 0.00 64.86 63.89 1x3b h ILE 74 Cb 0.23 1.72 -0.05 0.00 -3.07 0.00 0.00 36.82 35.65 1x3b h ILE 74 CO -0.28 0.22 -0.11 -0.07 -0.69 0.00 0.00 178.15 177.21 1x3b h LEU 75 N -0.23 -0.37 -0.68 1.44 3.38 -0.58 -0.08 115.31 118.18 1x3b h LEU 75 Ca 0.01 0.09 0.13 0.00 0.09 0.00 0.00 57.88 58.20 1x3b h LEU 75 Cb 0.35 0.21 -0.13 0.00 0.09 0.00 0.00 40.66 41.18 1x3b h LEU 75 CO 0.00 -0.15 -0.23 0.11 0.09 0.00 0.00 178.44 178.27 1x3b h LYS 76 N -0.09 -0.05 0.00 1.13 1.57 0.21 1.60 116.57 120.94 1x3b h LYS 76 Ca 0.12 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.89 1x3b h LYS 76 Cb 0.27 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.59 1x3b h LYS 76 CO -0.28 -0.03 -0.09 -0.92 -0.57 0.00 0.00 179.45 177.56 1x3b h TYR 77 N -0.05 0.00 0.00 -1.35 3.20 -0.90 -0.50 116.97 117.37 1x3b h TYR 77 Ca 0.31 0.00 -0.04 0.00 3.14 0.00 0.00 58.73 62.14 1x3b h TYR 77 Cb 0.53 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.79 1x3b h TYR 77 CO -0.59 0.09 -0.34 0.45 -1.64 0.00 0.00 178.16 176.13 1x3b h HIS 78 N 0.00 0.00 -2.83 -3.82 3.86 0.38 -3.45 115.15 109.30 1x3b h HIS 78 Ca -0.00 0.00 -0.66 0.00 -1.16 0.00 0.00 60.37 58.55 1x3b h HIS 78 Cb 0.28 0.00 -0.08 0.00 1.06 0.00 0.00 27.41 28.68 1x3b h HIS 78 CO 0.00 0.17 -0.51 0.42 0.86 0.00 0.00 177.93 178.87 1x3b s ILE 79 N -3.15 5.26 0.41 2.45 1.01 0.17 -2.67 121.20 124.69 1x3b s ILE 79 Ca 0.05 -0.05 0.07 0.00 0.00 0.00 0.00 60.65 60.72 1x3b s ILE 79 Cb 0.06 -3.36 -0.05 0.00 0.01 0.00 0.00 42.46 39.13 1x3b s ILE 79 CO 0.71 0.48 0.22 -0.83 0.00 0.00 0.00 174.94 175.52 1x3b s GLY 80 N -1.42 2.30 -0.58 6.18 0.00 0.11 -3.14 107.32 110.78 1x3b s GLY 80 Ca 0.20 -2.07 0.01 0.00 0.00 0.00 0.00 44.72 42.86 1x3b s GLY 80 CO 0.10 -1.87 1.77 1.34 0.00 0.00 0.00 173.10 174.43 1x3b n ASP 81 N -1.30 6.80 0.00 1.64 2.03 -0.79 -3.13 116.55 121.80 1x3b n ASP 81 Ca -0.00 -3.78 0.00 0.00 0.52 0.00 0.00 54.79 51.53 1x3b n ASP 81 Cb 0.64 -0.79 0.00 0.00 -0.72 0.00 0.00 41.12 40.25 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 -0.80 0.00 -3.32 -0.67 0.28 -1.24 -4.91 120.64 109.97 1x3b n GLU 82 Ca 0.56 0.00 -0.39 0.00 -0.16 0.00 0.00 57.16 57.17 1x3b n GLU 82 Cb 0.70 0.00 -0.08 0.00 1.43 0.00 0.00 31.44 33.49 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 5.15 -0.11 3.84 -1.09 -1.26 -3.15 121.20 122.58 1x3b s ILE 83 Ca 0.00 0.78 -0.01 0.00 -2.23 0.00 0.00 60.65 59.19 1x3b s ILE 83 Cb 0.00 -3.77 0.03 0.00 -1.58 0.00 0.00 42.46 37.14 1x3b s ILE 83 CO 0.00 0.19 -0.07 -0.22 -1.23 0.00 0.00 174.94 173.61 1x3b s LEU 84 N 1.70 1.14 0.23 2.97 0.20 -1.26 -5.07 118.68 118.60 1x3b s LEU 84 Ca 0.20 -0.30 0.03 0.00 0.69 0.00 0.00 54.13 54.75 1x3b s LEU 84 Cb -0.15 -0.80 -0.05 0.00 -0.43 0.00 0.00 46.19 44.75 1x3b s LEU 84 CO 0.09 -0.13 0.00 0.68 -0.29 0.00 0.00 176.35 176.70 1x3b s VAL 85 N 1.73 1.02 -1.07 1.68 -7.23 -1.26 -4.94 120.40 110.33 1x3b s VAL 85 Ca 0.05 -2.03 -0.11 0.00 -1.81 0.00 0.00 61.98 58.08 1x3b s VAL 85 Cb -0.13 -2.37 -0.07 0.00 0.56 0.00 0.00 36.38 34.37 1x3b s VAL 85 CO -0.08 -0.30 2.24 -1.54 -0.31 0.00 0.00 175.10 175.11 1x3b n SER 86 N -0.43 5.04 -3.08 4.85 3.41 -1.26 -4.44 113.62 117.72 1x3b n SER 86 Ca -0.05 -2.49 -0.19 0.00 -0.26 0.00 0.00 58.87 55.88 1x3b n SER 86 Cb 0.64 -1.24 -0.03 0.00 -0.26 0.00 0.00 64.21 63.32 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 3.92 2.28 0.00 5.00 0.00 -1.26 -4.91 105.19 110.22 1x3b n GLY 87 Ca 0.53 -1.16 0.00 0.00 0.00 0.00 0.00 46.02 45.38 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 1.26 0.94 3.26 -0.02 0.00 -1.26 -5.11 105.19 104.26 1x3b n GLY 88 Ca 0.18 -0.06 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.04 4.20 0.38 -0.61 -1.09 -1.26 -4.94 121.20 117.84 1x3b s ILE 89 Ca 0.00 -1.46 0.08 0.00 -2.23 0.00 0.00 60.65 57.04 1x3b s ILE 89 Cb 0.00 -3.60 0.30 0.00 -1.58 0.00 0.00 42.46 37.58 1x3b s ILE 89 CO 0.00 -0.54 1.95 1.23 -1.23 0.00 0.00 174.94 176.35 1x3b h GLY 90 N 8.40 0.90 0.00 6.18 0.00 -1.99 -3.45 103.07 113.11 1x3b h GLY 90 Ca -0.22 -0.27 0.00 0.00 0.00 0.00 0.00 47.33 46.83 1x3b h GLY 90 CO 0.77 0.19 0.00 0.00 0.00 0.00 0.00 176.54 177.49 1x3b n ALA 91 N -2.46 0.00 -3.15 3.60 0.00 -1.26 -5.06 120.51 112.18 1x3b n ALA 91 Ca 0.11 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.43 1x3b n ALA 91 Cb 0.28 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.63 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 -5.93 1.29 0.04 0.00 2.96 -1.26 -3.22 118.68 112.56 1x3b s LEU 92 Ca 0.00 -0.06 0.02 0.00 -0.22 0.00 0.00 54.13 53.87 1x3b s LEU 92 Cb 0.00 0.88 -0.03 0.00 0.50 0.00 0.00 46.19 47.54 1x3b s LEU 92 CO 0.00 -0.37 -0.07 -0.69 -1.32 0.00 0.00 176.35 173.90 1x3b s VAL 93 N -1.25 0.46 -0.38 1.68 1.01 -0.16 -5.00 120.40 116.77 1x3b s VAL 93 Ca -0.13 -1.14 -0.07 0.00 0.00 0.00 0.00 61.98 60.64 1x3b s VAL 93 Cb -0.06 -0.66 0.06 0.00 0.00 0.00 0.00 36.38 35.72 1x3b s VAL 93 CO 0.02 -0.46 0.18 -0.13 0.00 0.00 0.00 175.10 174.71 1x3b s ARG 94 N -1.81 2.54 -0.34 2.72 0.52 -1.26 -2.38 118.95 118.93 1x3b s ARG 94 Ca -0.09 -1.37 -0.17 0.00 -0.52 0.00 0.00 55.73 53.58 1x3b s ARG 94 Cb -0.08 -3.60 -0.01 0.00 0.52 0.00 0.00 34.95 31.78 1x3b s ARG 94 CO -0.01 -0.83 0.46 -1.17 0.02 0.00 0.00 175.30 173.77 1x3b s LEU 95 N 1.38 4.37 0.00 2.53 0.20 0.11 -4.91 118.68 122.36 1x3b s LEU 95 Ca 0.01 -0.08 -0.30 0.00 0.69 0.00 0.00 54.13 54.45 1x3b s LEU 95 Cb -0.21 -2.50 -0.05 0.00 -0.43 0.00 0.00 46.19 43.00 1x3b s LEU 95 CO 0.02 -0.42 1.34 -0.75 -0.29 0.00 0.00 176.35 176.25 1x3b s LYS 96 N 2.25 4.31 0.15 1.98 2.20 -1.26 0.19 119.74 129.56 1x3b s LYS 96 Ca 0.16 1.90 -0.11 0.00 -0.36 0.00 0.00 55.97 57.56 1x3b s LYS 96 Cb -0.16 -3.52 -0.07 0.00 -1.51 0.00 0.00 37.83 32.57 1x3b s LYS 96 CO 0.12 -0.51 0.50 -1.54 -0.36 0.00 0.00 175.35 173.56 1x3b s SER 97 N 1.67 6.70 0.50 1.43 1.04 -0.26 -1.89 113.70 122.89 1x3b s SER 97 Ca 0.62 0.93 0.20 0.00 0.48 0.00 0.00 55.95 58.18 1x3b s SER 97 Cb -0.30 -2.23 1.25 0.00 0.10 0.00 0.00 66.02 64.84 1x3b s SER 97 CO 0.26 0.07 2.01 -0.07 0.98 0.00 0.00 173.24 176.50 1x3b h LEU 98 N 3.30 0.12 -1.94 2.42 4.07 -1.63 0.43 115.31 122.09 1x3b h LEU 98 Ca -0.48 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 57.46 1x3b h LEU 98 Cb 1.19 -0.02 -0.00 0.00 1.08 0.00 0.00 40.66 42.90 1x3b h LEU 98 CO 0.67 0.07 -0.11 -0.61 -1.08 0.00 0.00 178.44 177.39 1x3b h GLN 99 N 0.14 0.00 0.00 1.13 4.15 -1.83 -3.47 115.11 115.23 1x3b h GLN 99 Ca 0.22 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.64 1x3b h GLN 99 Cb 0.69 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.38 1x3b h GLN 99 CO -0.03 0.11 0.00 0.41 -1.93 0.00 0.00 178.83 177.39 1x3b n GLY 100 N -1.02 3.64 3.77 2.39 0.00 0.15 -4.99 105.19 109.13 1x3b n GLY 100 Ca -0.02 -0.92 -0.40 0.00 0.00 0.00 0.00 46.02 44.68 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 6.66 -0.17 1.61 1.01 -1.26 -4.43 116.67 120.09 1x3b s ASP 101 Ca 0.00 2.63 -0.18 0.00 0.71 0.00 0.00 52.55 55.70 1x3b s ASP 101 Cb 0.00 -2.64 -0.04 0.00 1.01 0.00 0.00 42.92 41.25 1x3b s ASP 101 CO 0.00 -0.60 0.50 -0.54 0.21 0.00 0.00 175.17 174.74 1x3b s LYS 102 N -1.93 4.24 0.45 8.23 3.01 -1.26 -1.10 119.74 131.38 1x3b s LYS 102 Ca 0.51 0.42 -0.16 0.00 -1.01 0.00 0.00 55.97 55.73 1x3b s LYS 102 Cb -0.38 -3.52 -0.09 0.00 -1.01 0.00 0.00 37.83 32.83 1x3b s LYS 102 CO 0.50 -0.04 0.91 -0.51 0.51 0.00 0.00 175.35 176.71 1x3b s LEU 103 N 1.29 3.80 -0.17 3.17 1.43 0.51 -4.82 118.68 123.89 1x3b s LEU 103 Ca 0.25 1.49 -0.06 0.00 -1.03 0.00 0.00 54.13 54.78 1x3b s LEU 103 Cb -0.15 -4.38 -0.03 0.00 0.03 0.00 0.00 46.19 41.66 1x3b s LEU 103 CO 0.10 -0.45 0.02 -1.61 0.23 0.00 0.00 176.35 174.64 1x3b s GLU 104 N -3.66 3.83 -0.04 1.70 2.02 -1.26 -0.71 118.70 120.57 1x3b s GLU 104 Ca 0.58 -0.42 -0.01 0.00 0.02 0.00 0.00 54.97 55.13 1x3b s GLU 104 Cb -0.10 -3.07 0.03 0.00 0.10 0.00 0.00 34.13 31.10 1x3b s GLU 104 CO 0.25 0.27 0.09 0.08 0.02 0.00 0.00 175.26 175.96 1x3b s VAL 105 N 0.33 -0.08 0.23 2.63 1.01 -1.00 -1.03 120.40 122.49 1x3b s VAL 105 Ca -0.00 0.24 0.00 0.00 0.00 0.00 0.00 61.98 62.22 1x3b s VAL 105 Cb -0.13 -0.16 -0.04 0.00 0.00 0.00 0.00 36.38 36.05 1x3b s VAL 105 CO 0.01 0.10 0.18 -0.94 0.00 0.00 0.00 175.10 174.46 1x3b s SER 106 N 1.32 0.45 -0.26 3.32 1.04 -1.22 -0.99 113.70 117.37 1x3b s SER 106 Ca -0.07 -1.44 -0.00 0.00 0.48 0.00 0.00 55.95 54.92 1x3b s SER 106 Cb -0.12 0.43 0.08 0.00 0.10 0.00 0.00 66.02 66.50 1x3b s SER 106 CO -0.04 -0.91 0.02 -0.22 0.98 0.00 0.00 173.24 173.07 1x3b s LEU 107 N -3.20 2.46 0.01 2.42 2.96 -1.20 -3.34 118.68 118.78 1x3b s LEU 107 Ca 0.38 -1.35 0.03 0.00 -0.22 0.00 0.00 54.13 52.98 1x3b s LEU 107 Cb 0.06 -1.03 -0.01 0.00 0.50 0.00 0.00 46.19 45.71 1x3b s LEU 107 CO 0.15 -0.32 -0.10 -0.75 -1.32 0.00 0.00 176.35 174.01 1x3b s LYS 108 N 1.49 0.80 -1.63 1.98 2.20 -0.59 -4.71 119.74 119.28 1x3b s LYS 108 Ca 0.01 -0.46 0.00 0.00 -0.36 0.00 0.00 55.97 55.16 1x3b s LYS 108 Cb -0.18 -0.77 0.00 0.00 -1.51 0.00 0.00 37.83 35.37 1x3b s LYS 108 CO -0.12 0.20 0.00 -1.71 -0.36 0.00 0.00 175.35 173.36 1x3b n ASN 109 N 2.56 -4.48 -0.15 1.43 5.15 -1.26 0.16 115.26 118.67 1x3b n ASN 109 Ca -0.15 0.38 -0.02 0.00 -0.60 0.00 0.00 54.58 54.19 1x3b n ASN 109 Cb 0.56 -3.92 -0.01 0.00 -0.53 0.00 0.00 39.78 35.89 1x3b n ASN 109 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 1x3b n ASN 110 N -0.85 -3.60 -4.73 1.20 5.15 -1.26 -5.01 115.26 106.15 1x3b n ASN 110 Ca -0.15 0.05 -0.30 0.00 -0.60 0.00 0.00 54.58 53.57 1x3b n ASN 110 Cb 0.54 -1.27 -0.07 0.00 -0.53 0.00 0.00 39.78 38.45 1x3b n ASN 110 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1x3b s VAL 111 N -1.95 4.27 -0.09 3.44 1.01 0.43 -5.11 120.40 122.40 1x3b s VAL 111 Ca 0.00 -0.89 0.00 0.00 0.00 0.00 0.00 61.98 61.10 1x3b s VAL 111 Cb 0.00 -3.05 -0.02 0.00 0.00 0.00 0.00 36.38 33.30 1x3b s VAL 111 CO 0.00 0.12 -0.09 -0.69 0.00 0.00 0.00 175.10 174.43 1x3b s VAL 112 N -1.36 3.45 0.05 2.92 1.01 -1.26 -1.55 120.40 123.66 1x3b s VAL 112 Ca 0.28 -0.55 0.05 0.00 0.00 0.00 0.00 61.98 61.75 1x3b s VAL 112 Cb -0.12 -2.43 -0.03 0.00 0.00 0.00 0.00 36.38 33.81 1x3b s VAL 112 CO 0.20 0.56 -0.13 -0.44 0.00 0.00 0.00 175.10 175.29 1x3b s SER 113 N -0.32 1.54 -0.25 3.32 0.01 -1.21 -2.78 113.70 114.02 1x3b s SER 113 Ca 0.04 -0.54 -0.01 0.00 1.31 0.00 0.00 55.95 56.75 1x3b s SER 113 Cb -0.13 -0.06 0.08 0.00 0.21 0.00 0.00 66.02 66.12 1x3b s SER 113 CO 0.02 -0.05 0.05 0.54 0.41 0.00 0.00 173.24 174.21 1x3b s VAL 114 N -1.10 0.85 -0.55 3.43 0.11 -0.07 -3.40 120.40 119.66 1x3b s VAL 114 Ca -0.02 -1.02 0.00 0.00 -2.93 0.00 0.00 61.98 58.01 1x3b s VAL 114 Cb -0.09 -1.43 0.00 0.00 -1.53 0.00 0.00 36.38 33.33 1x3b s VAL 114 CO 0.02 -0.38 0.00 0.59 -3.33 0.00 0.00 175.10 171.99 1x3b n ASN 115 N 4.90 -2.53 -0.67 3.54 3.02 -0.20 -2.56 115.26 120.76 1x3b n ASN 115 Ca -0.07 -0.00 -0.06 0.00 -0.03 0.00 0.00 54.58 54.42 1x3b n ASN 115 Cb 0.44 -1.86 -0.01 0.00 -0.61 0.00 0.00 39.78 37.74 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 -1.63 -0.50 -4.95 3.52 5.02 -1.26 -5.03 118.16 113.33 1x3b n LYS 116 Ca -0.08 0.43 -0.30 0.00 -2.02 0.00 0.00 58.31 56.35 1x3b n LYS 116 Cb 0.55 -4.27 -0.15 0.00 -0.02 0.00 0.00 35.03 31.15 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 -3.81 1.83 0.12 1.97 0.41 -1.06 -5.11 118.70 113.05 1x3b s GLU 117 Ca 0.00 -1.09 -0.30 0.00 -0.41 0.00 0.00 54.97 53.17 1x3b s GLU 117 Cb 0.00 -1.98 -0.07 0.00 -1.78 0.00 0.00 34.13 30.30 1x3b s GLU 117 CO 0.00 0.52 1.14 -1.25 -0.49 0.00 0.00 175.26 175.18 1x3b s PRO 118 N -1.17 4.52 0.27 0.39 0.04 -1.26 -0.89 135.00 136.90 1x3b s PRO 118 Ca 0.11 1.73 -0.10 0.00 0.04 0.00 0.00 61.00 62.79 1x3b s PRO 118 Cb -0.10 -3.31 -0.07 0.00 0.04 0.00 0.00 34.50 31.06 1x3b s PRO 118 CO 0.02 -0.08 0.61 0.08 0.04 0.00 0.00 177.00 177.67 1x3b s VAL 119 N 0.37 4.88 -0.03 -0.36 1.01 -1.12 -2.85 120.40 122.30 1x3b s VAL 119 Ca 0.54 0.53 -0.00 0.00 0.00 0.00 0.00 61.98 63.04 1x3b s VAL 119 Cb -0.29 -3.64 -0.00 0.00 0.00 0.00 0.00 36.38 32.45 1x3b s VAL 119 CO 0.32 -0.17 0.03 0.00 0.00 0.00 0.00 175.10 175.29 1x3b h ALA 120 N 2.25 -0.03 -1.87 5.51 0.00 0.36 -3.44 119.26 122.03 1x3b h ALA 120 Ca -0.47 -0.00 -0.37 0.00 0.00 0.00 0.00 54.91 54.06 1x3b h ALA 120 Cb 1.17 0.00 -0.30 0.00 0.00 0.00 0.00 17.79 18.67 1x3b h ALA 120 CO 0.67 -0.03 -0.71 -1.21 0.00 0.00 0.00 179.25 177.97 1x3b s GLU 121 N -1.24 0.76 1.03 0.00 2.02 -0.82 -4.99 118.70 115.47 1x3b s GLU 121 Ca -0.00 -1.13 -0.16 0.00 0.02 0.00 0.00 54.97 53.69 1x3b s GLU 121 Cb 0.00 -0.75 0.21 0.00 0.10 0.00 0.00 34.13 33.70 1x3b s GLU 121 CO 0.00 -1.26 1.19 -1.25 0.02 0.00 0.00 175.26 173.97 1x3b s PRO 122 N 1.08 0.12 -0.12 0.39 0.04 -1.26 -3.20 135.00 132.04 1x3b s PRO 122 Ca 0.22 -0.09 -0.01 0.00 0.04 0.00 0.00 61.00 61.16 1x3b s PRO 122 Cb -0.09 -1.76 -0.01 0.00 0.04 0.00 0.00 34.50 32.68 1x3b s PRO 122 CO -0.06 -2.81 0.11 -3.47 0.04 0.00 0.00 177.00 170.80 1x3b n ASP 123 N -4.12 -2.49 -4.05 6.66 2.03 -1.22 -4.93 116.55 108.43 1x3b n ASP 123 Ca 0.12 -0.08 -0.34 0.00 0.52 0.00 0.00 54.79 55.01 1x3b n ASP 123 Cb 0.59 -1.04 -0.12 0.00 -0.72 0.00 0.00 41.12 39.83 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 -3.04 3.19 0.38 5.18 1.01 -0.33 -4.97 121.20 122.62 1x3b s ILE 124 Ca 0.05 -2.92 -0.27 0.00 0.00 0.00 0.00 60.65 57.51 1x3b s ILE 124 Cb -0.01 -3.15 -0.09 0.00 0.01 0.00 0.00 42.46 39.22 1x3b s ILE 124 CO 0.09 -0.81 1.33 -0.04 0.00 0.00 0.00 174.94 175.50 1x3b s MET 125 N 0.08 4.09 0.44 2.79 -1.94 -1.26 0.05 119.30 123.55 1x3b s MET 125 Ca 0.15 2.22 0.03 0.00 -1.71 0.00 0.00 55.69 56.39 1x3b s MET 125 Cb -0.22 -2.87 -0.04 0.00 2.01 0.00 0.00 34.83 33.71 1x3b s MET 125 CO -0.03 -0.41 0.03 0.00 -0.01 0.00 0.00 175.02 174.60 1x3b s ALA 126 N -1.21 3.42 0.52 3.03 0.00 0.51 -4.88 121.76 123.16 1x3b s ALA 126 Ca 0.54 -1.26 0.17 0.00 0.00 0.00 0.00 51.96 51.42 1x3b s ALA 126 Cb -0.40 0.28 1.31 0.00 0.00 0.00 0.00 23.12 24.31 1x3b s ALA 126 CO 0.52 -0.14 2.14 1.79 0.00 0.00 0.00 175.76 180.07 1x3b h THR 127 N 1.64 0.96 -0.01 0.00 1.35 -1.90 -3.29 112.91 111.66 1x3b h THR 127 Ca -0.42 0.00 -0.19 0.00 -0.55 0.00 0.00 66.41 65.25 1x3b h THR 127 Cb 1.28 0.98 -0.15 0.00 -1.73 0.00 0.00 68.15 68.52 1x3b h THR 127 CO 0.72 0.00 -0.31 -0.46 -0.25 0.00 0.00 175.52 175.22 1x3b n ASN 128 N -4.49 -1.56 0.00 5.36 6.94 -1.26 -5.03 115.26 115.22 1x3b n ASN 128 Ca -0.02 -2.30 0.00 0.00 -0.02 0.00 0.00 54.58 52.24 1x3b n ASN 128 Cb 0.13 0.77 0.00 0.00 -2.36 0.00 0.00 39.78 38.32 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 -1.23 -1.29 3.30 4.83 0.00 -1.24 -3.71 105.19 105.84 1x3b n GLY 129 Ca -0.13 -0.92 -0.16 0.00 0.00 0.00 0.00 46.02 44.82 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 -2.74 0.49 -0.04 1.61 0.11 -1.23 0.19 120.40 118.80 1x3b s VAL 130 Ca 0.00 -2.00 -0.14 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 -0.02 0.30 -0.69 -3.33 0.00 0.00 175.10 171.36 1x3b s VAL 131 N -3.80 0.05 -0.32 2.04 1.01 0.11 -3.59 120.40 115.90 1x3b s VAL 131 Ca 0.37 -0.39 -0.02 0.00 0.00 0.00 0.00 61.98 61.95 1x3b s VAL 131 Cb 0.08 -0.57 0.11 0.00 0.00 0.00 0.00 36.38 36.00 1x3b s VAL 131 CO 0.13 -0.21 0.13 -1.00 0.00 0.00 0.00 175.10 174.15 1x3b s HIS 132 N -1.01 1.10 0.09 5.22 3.76 -0.81 -1.19 115.29 122.45 1x3b s HIS 132 Ca -0.11 -1.47 -0.33 0.00 -0.15 0.00 0.00 55.06 53.01 1x3b s HIS 132 Cb -0.05 -1.34 -0.12 0.00 1.11 0.00 0.00 32.58 32.19 1x3b s HIS 132 CO 0.03 -0.85 1.75 0.28 -0.85 0.00 0.00 174.74 175.11 1x3b n VAL 133 N 4.79 0.27 -3.41 -0.90 0.31 -1.19 -3.65 118.33 114.54 1x3b n VAL 133 Ca -0.01 -0.05 -0.19 0.00 -0.01 0.00 0.00 64.34 64.08 1x3b n VAL 133 Cb 0.41 -1.86 -0.01 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 2.30 3.56 0.02 2.52 -4.36 -0.52 0.27 121.20 124.99 1x3b s ILE 134 Ca 0.83 -1.09 0.10 0.00 -0.26 0.00 0.00 60.65 60.23 1x3b s ILE 134 Cb -0.60 -3.22 -0.18 0.00 1.25 0.00 0.00 42.46 39.71 1x3b s ILE 134 CO 0.40 -0.10 1.08 0.71 0.24 0.00 0.00 174.94 177.27 1x3b h THR 135 N 0.90 1.27 -3.83 8.37 1.35 -1.81 -3.02 112.91 116.14 1x3b h THR 135 Ca -0.44 -2.97 -0.10 0.00 -0.55 0.00 0.00 66.41 62.36 1x3b h THR 135 Cb 1.26 2.61 -0.10 0.00 -1.73 0.00 0.00 68.15 70.20 1x3b h THR 135 CO 0.52 0.72 -0.20 0.20 -0.25 0.00 0.00 175.52 176.52 1x3b s ASN 136 N -6.43 0.01 0.09 5.36 -0.87 -1.26 -4.17 114.94 107.67 1x3b s ASN 136 Ca -0.01 -1.04 -0.31 0.00 -1.57 0.00 0.00 52.86 49.94 1x3b s ASN 136 Cb 0.09 0.56 -0.06 0.00 -0.02 0.00 0.00 41.25 41.82 1x3b s ASN 136 CO 0.81 -1.11 1.23 -0.69 -2.57 0.00 0.00 177.10 174.78 1x3b s VAL 137 N -3.96 3.83 0.97 1.60 1.01 -1.26 -4.67 120.40 117.91 1x3b s VAL 137 Ca 0.26 1.35 -0.14 0.00 0.00 0.00 0.00 61.98 63.44 1x3b s VAL 137 Cb 0.01 -3.86 0.17 0.00 0.00 0.00 0.00 36.38 32.70 1x3b s VAL 137 CO 0.10 0.12 1.15 -0.76 0.00 0.00 0.00 175.10 175.72 1x3b s LEU 138 N 0.84 1.86 -0.01 3.92 1.43 -1.26 -5.09 118.68 120.37 1x3b s LEU 138 Ca 0.59 0.84 -0.07 0.00 -1.03 0.00 0.00 54.13 54.46 1x3b s LEU 138 Cb -0.31 -3.03 0.01 0.00 0.03 0.00 0.00 46.19 42.88 1x3b s LEU 138 CO 0.31 -2.86 0.15 -1.10 0.23 0.00 0.00 176.35 173.07 1x3b s GLN 139 N -5.35 0.43 -0.02 1.70 -0.21 -1.26 -5.07 119.66 109.88 1x3b s GLN 139 Ca 0.66 -0.26 -0.30 0.00 0.02 0.00 0.00 55.36 55.48 1x3b s GLN 139 Cb -0.13 0.18 -0.04 0.00 1.00 0.00 0.00 33.01 34.02 1x3b s GLN 139 CO 0.54 -0.10 1.20 -1.25 -2.12 0.00 0.00 175.29 173.56 1x3b s PRO 140 N -1.07 4.38 -0.47 2.91 0.04 -1.26 -4.91 135.00 134.62 1x3b s PRO 140 Ca -0.12 1.71 -0.30 0.00 0.04 0.00 0.00 61.00 62.33 1x3b s PRO 140 Cb -0.06 -3.50 -0.10 0.00 0.04 0.00 0.00 34.50 30.88 1x3b s PRO 140 CO 0.01 -0.38 2.35 0.43 0.04 0.00 0.00 177.00 179.44 1x3b n SER 141 N 4.80 2.11 -0.57 6.66 7.64 -1.26 -4.86 113.62 128.14 1x3b n SER 141 Ca 0.10 0.04 0.00 0.00 1.01 0.00 0.00 58.87 60.02 1x3b n SER 141 Cb 0.46 -1.37 0.00 0.00 -1.01 0.00 0.00 64.21 62.30 1x3b n SER 141 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x3b n GLY 142 N 6.24 4.88 3.81 0.23 0.00 -1.26 -5.16 105.19 113.94 1x3b n GLY 142 Ca 0.42 -1.64 -0.31 0.00 0.00 0.00 0.00 46.02 44.49 1x3b n GLY 142 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x3b s PRO 143 N -0.46 2.63 0.07 1.61 0.04 -1.26 -5.08 135.00 132.55 1x3b s PRO 143 Ca 0.00 0.84 0.05 0.00 0.04 0.00 0.00 61.00 61.92 1x3b s PRO 143 Cb 0.00 -1.96 -0.03 0.00 0.04 0.00 0.00 34.50 32.55 1x3b s PRO 143 CO 0.00 -1.29 -0.13 -1.12 0.04 0.00 0.00 177.00 174.51 1x3b s SER 144 N -3.84 1.53 -0.01 6.66 0.01 -1.26 -5.07 113.70 111.73 1x3b s SER 144 Ca 0.59 -0.63 -0.23 0.00 1.31 0.00 0.00 55.95 56.99 1x3b s SER 144 Cb -0.14 -0.03 -0.13 0.00 0.21 0.00 0.00 66.02 65.93 1x3b s SER 144 CO 0.55 -0.12 0.98 -1.28 0.41 0.00 0.00 173.24 173.78 1x3b h SER 145 N 4.22 -0.59 0.00 2.44 0.87 -2.09 -3.58 113.55 114.83 1x3b h SER 145 Ca -0.40 -0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.13 1x3b h SER 145 Cb 1.19 0.15 0.00 0.00 -0.44 0.00 0.00 62.40 63.31 1x3b h SER 145 CO 0.42 -0.19 0.00 0.61 -0.53 0.00 0.00 176.83 177.14