#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t2s s ALA 2 N 0.00 2.47 -0.54 4.61 0.00 -1.26 -4.92 121.76 122.11 1t2s s ALA 2 Ca 0.00 0.21 -0.25 0.00 0.00 0.00 0.00 51.96 51.92 1t2s s ALA 2 Cb 0.00 -4.15 0.04 0.00 0.00 0.00 0.00 23.12 19.01 1t2s s ALA 2 CO 0.00 -3.25 0.99 1.41 0.00 0.00 0.00 175.76 174.91 1t2s s MET 3 N 6.60 3.39 -0.35 0.00 -2.45 -1.26 -4.99 119.30 120.24 1t2s s MET 3 Ca 0.87 -0.11 -0.18 0.00 -1.25 0.00 0.00 55.69 55.02 1t2s s MET 3 Cb -0.23 -4.03 -0.00 0.00 1.25 0.00 0.00 34.83 31.82 1t2s s MET 3 CO 0.30 -1.49 0.53 0.00 1.05 0.00 0.00 175.02 175.42 1t2s s ALA 4 N 4.12 3.47 -0.33 4.11 0.00 -1.26 -1.89 121.76 129.98 1t2s s ALA 4 Ca 0.34 -0.98 -0.14 0.00 0.00 0.00 0.00 51.96 51.18 1t2s s ALA 4 Cb -0.11 -3.04 -0.02 0.00 0.00 0.00 0.00 23.12 19.94 1t2s s ALA 4 CO 0.21 -1.23 0.29 1.41 0.00 0.00 0.00 175.76 176.44 1t2s s MET 5 N 2.45 3.60 -0.06 0.00 -2.45 0.95 -4.84 119.30 118.95 1t2s s MET 5 Ca 0.20 -0.48 -0.39 0.00 -1.25 0.00 0.00 55.69 53.77 1t2s s MET 5 Cb -0.15 -3.78 -0.17 0.00 1.25 0.00 0.00 34.83 31.97 1t2s s MET 5 CO 0.13 -0.44 1.40 -2.30 1.05 0.00 0.00 175.02 174.87 1t2s n PRO 6 N 5.22 0.84 0.02 4.11 -0.02 -1.26 0.24 135.00 144.15 1t2s n PRO 6 Ca -0.11 0.30 0.02 0.00 -2.02 0.00 0.00 63.50 61.69 1t2s n PRO 6 Cb 0.50 -1.92 0.35 0.00 -0.02 0.00 0.00 33.50 32.41 1t2s n PRO 6 CO 0.00 0.00 0.00 1.98 1.98 0.00 0.00 175.50 179.46 1t2s h MET 7 N 4.90 0.49 -0.09 -0.52 4.05 -1.57 0.24 114.93 122.43 1t2s h MET 7 Ca -0.48 -0.08 -0.14 0.00 -0.28 0.00 0.00 59.70 58.72 1t2s h MET 7 Cb 1.35 -0.09 -0.01 0.00 -0.80 0.00 0.00 31.60 32.06 1t2s h MET 7 CO 0.81 0.46 -0.57 0.82 0.23 0.00 0.00 176.91 178.67 1t2s h ILE 8 N 0.48 1.37 -0.18 1.77 1.08 -1.80 0.79 117.51 121.02 1t2s h ILE 8 Ca 0.11 -1.88 -0.18 0.00 -0.39 0.00 0.00 64.86 62.52 1t2s h ILE 8 Cb 0.21 1.92 0.01 0.00 -3.07 0.00 0.00 36.82 35.88 1t2s h ILE 8 CO -0.00 0.56 -0.59 -0.08 -0.69 0.00 0.00 178.15 177.35 1t2s h GLU 9 N 0.21 0.71 -0.89 2.37 4.57 -1.54 -1.98 114.58 118.03 1t2s h GLU 9 Ca -0.00 -0.53 0.03 0.00 -1.18 0.00 0.00 59.36 57.68 1t2s h GLU 9 Cb 1.06 0.09 -0.05 0.00 -0.16 0.00 0.00 28.75 29.69 1t2s h GLU 9 CO 0.09 1.15 0.58 -0.92 -1.18 0.00 0.00 179.01 178.73 1t2s h TYR 10 N 0.42 1.08 -0.19 0.92 3.20 -0.47 -0.05 116.97 121.88 1t2s h TYR 10 Ca -0.02 0.03 0.01 0.00 3.14 0.00 0.00 58.73 61.89 1t2s h TYR 10 Cb 1.22 -0.36 -0.02 0.00 1.54 0.00 0.00 36.73 39.11 1t2s h TYR 10 CO 0.09 0.64 0.08 1.25 -1.64 0.00 0.00 178.16 178.59 1t2s h LEU 11 N 1.13 0.12 0.04 2.82 5.85 -0.62 0.99 115.31 125.63 1t2s h LEU 11 Ca 0.35 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 59.08 1t2s h LEU 11 Cb -0.02 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.00 1t2s h LEU 11 CO -0.10 0.10 -0.02 -0.33 -0.34 0.00 0.00 178.44 177.75 1t2s h GLU 12 N 0.19 -0.05 -0.03 1.25 5.08 -0.83 0.30 114.58 120.49 1t2s h GLU 12 Ca 0.08 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.40 1t2s h GLU 12 Cb 0.03 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.29 1t2s h GLU 12 CO -0.06 0.21 -0.15 0.00 -1.00 0.00 0.00 179.01 178.01 1t2s h ARG 13 N -0.31 0.16 0.00 2.33 3.08 -0.93 -2.16 114.38 116.55 1t2s h ARG 13 Ca -0.01 -0.13 -0.11 0.00 0.07 0.00 0.00 59.98 59.81 1t2s h ARG 13 Cb 0.29 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.34 1t2s h ARG 13 CO 0.01 0.78 -1.41 1.19 -1.07 0.00 0.00 179.97 179.47 1t2s n PHE 14 N -4.61 0.00 -0.01 3.04 3.72 0.26 -4.38 117.46 115.48 1t2s n PHE 14 Ca -0.09 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.19 1t2s n PHE 14 Cb 0.41 -0.28 -0.10 0.00 -0.94 0.00 0.00 39.48 38.57 1t2s n PHE 14 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 1t2s h SER 15 N 0.00 -0.06 0.00 4.37 0.87 -1.07 -3.39 113.55 114.27 1t2s h SER 15 Ca -0.16 -0.57 -0.10 0.00 -1.23 0.00 0.00 61.79 59.73 1t2s h SER 15 Cb 1.26 0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 63.22 1t2s h SER 15 CO -0.02 0.59 -1.63 0.18 -0.53 0.00 0.00 176.83 175.41 1t2s n LEU 16 N -4.81 0.00 -0.13 2.23 4.77 0.10 -4.99 117.00 114.18 1t2s n LEU 16 Ca -0.08 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 55.88 1t2s n LEU 16 Cb 0.31 0.14 -0.01 0.00 -2.33 0.00 0.00 43.42 41.53 1t2s n LEU 16 CO 0.30 0.14 -0.02 0.29 -1.33 0.00 0.00 177.39 176.77 1t2s n LYS 17 N -2.16 -0.92 -3.83 3.23 4.76 -0.83 -4.98 118.16 113.43 1t2s n LYS 17 Ca -0.10 0.34 -0.25 0.00 -2.87 0.00 0.00 58.31 55.43 1t2s n LYS 17 Cb 0.59 -4.10 -0.02 0.00 -1.84 0.00 0.00 35.03 29.66 1t2s n LYS 17 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1t2s n ALA 18 N 1.03 0.62 -2.69 7.82 0.00 -1.14 -4.96 120.51 121.19 1t2s n ALA 18 Ca -0.02 -1.97 -0.36 0.00 0.00 0.00 0.00 53.44 51.09 1t2s n ALA 18 Cb 0.26 0.91 -0.09 0.00 0.00 0.00 0.00 19.45 20.52 1t2s n ALA 18 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1t2s s LYS 19 N -3.86 4.12 -0.21 0.00 2.36 -1.26 -4.38 119.74 116.51 1t2s s LYS 19 Ca 0.18 -0.25 -0.13 0.00 -2.55 0.00 0.00 55.97 53.22 1t2s s LYS 19 Cb -0.01 -3.48 -0.05 0.00 -1.05 0.00 0.00 37.83 33.24 1t2s s LYS 19 CO 0.11 0.16 0.25 0.42 1.55 0.00 0.00 175.35 177.85 1t2s s ILE 20 N 0.76 5.31 0.00 5.43 -1.09 -1.26 -4.71 121.20 125.64 1t2s s ILE 20 Ca 0.08 0.41 0.00 0.00 -2.23 0.00 0.00 60.65 58.91 1t2s s ILE 20 Cb -0.12 -3.59 0.00 0.00 -1.58 0.00 0.00 42.46 37.17 1t2s s ILE 20 CO 0.02 0.34 0.00 -0.46 -1.23 0.00 0.00 174.94 173.61 1t2s n ASN 21 N 4.07 0.00 0.25 3.58 0.23 -1.26 -4.98 115.26 117.14 1t2s n ASN 21 Ca -0.13 -0.49 0.10 0.00 -0.53 0.00 0.00 54.58 53.54 1t2s n ASN 21 Cb 0.52 0.00 0.66 0.00 -2.08 0.00 0.00 39.78 38.87 1t2s n ASN 21 CO 0.00 0.00 0.00 -1.13 -0.93 0.00 0.00 177.26 175.20 1t2s h ASN 22 N 0.00 0.00 -0.17 0.53 -0.73 -1.96 -2.50 115.58 110.74 1t2s h ASN 22 Ca 0.00 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.17 1t2s h ASN 22 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.59 1t2s h ASN 22 CO 0.00 0.14 0.00 0.35 -0.37 0.00 0.00 177.43 177.55 1t2s n THR 23 N -3.86 0.19 -2.65 -3.57 -2.24 -1.26 -4.86 114.28 96.03 1t2s n THR 23 Ca -0.02 -0.57 -0.43 0.00 -2.27 0.00 0.00 64.05 60.76 1t2s n THR 23 Cb 0.24 1.19 -0.02 0.00 -2.10 0.00 0.00 70.33 69.64 1t2s n THR 23 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1t2s s THR 24 N -1.81 4.64 -1.51 4.28 2.01 -0.95 -4.93 115.64 117.39 1t2s s THR 24 Ca 0.33 1.97 -0.10 0.00 0.31 0.00 0.00 61.69 64.20 1t2s s THR 24 Cb 0.21 -4.32 -0.09 0.00 0.01 0.00 0.00 72.50 68.31 1t2s s THR 24 CO 0.31 -0.23 2.99 0.59 -0.69 0.00 0.00 174.62 177.58 1t2s n ASN 25 N 6.43 8.52 0.03 3.53 5.03 -1.26 -4.29 115.26 133.25 1t2s n ASN 25 Ca 0.12 -2.59 0.12 0.00 0.87 0.00 0.00 54.58 53.10 1t2s n ASN 25 Cb 0.46 -1.54 0.15 0.00 -1.02 0.00 0.00 39.78 37.83 1t2s n ASN 25 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1t2s n LEU 26 N 3.42 0.62 0.34 3.41 -0.00 -1.26 -4.13 117.00 119.40 1t2s n LEU 26 Ca 0.76 0.07 -0.18 0.00 -0.00 0.00 0.00 56.01 56.66 1t2s n LEU 26 Cb 0.28 -0.17 -0.09 0.00 -0.00 0.00 0.00 43.42 43.43 1t2s n LEU 26 CO 0.80 0.04 0.56 0.44 -0.00 0.00 0.00 177.39 179.23 1t2s h ASP 27 N 0.00 -1.22 0.76 1.45 5.19 -1.86 0.23 116.42 120.97 1t2s h ASP 27 Ca 0.00 0.09 -0.01 0.00 -0.62 0.00 0.00 57.03 56.49 1t2s h ASP 27 Cb 0.66 0.38 -0.00 0.00 0.18 0.00 0.00 39.33 40.55 1t2s h ASP 27 CO 0.00 -0.66 -0.02 1.88 -3.12 0.00 0.00 179.24 177.31 1t2s h TYR 28 N -1.03 0.00 0.00 4.55 -1.99 -1.87 -2.26 116.97 114.38 1t2s h TYR 28 Ca -0.07 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.66 1t2s h TYR 28 Cb 0.86 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.59 1t2s h TYR 28 CO -0.18 0.02 -0.47 0.77 -0.00 0.00 0.00 178.16 178.31 1t2s h SER 29 N 0.00 0.00 -0.28 3.88 0.02 -1.47 -3.31 113.55 112.39 1t2s h SER 29 Ca -0.00 -0.06 0.04 0.00 -0.84 0.00 0.00 61.79 60.94 1t2s h SER 29 Cb 0.41 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.94 1t2s h SER 29 CO 0.00 0.03 0.19 -0.09 -1.14 0.00 0.00 176.83 175.83 1t2s h ARG 30 N 0.00 0.18 -0.04 3.45 9.65 0.05 0.92 114.38 128.59 1t2s h ARG 30 Ca 0.00 -0.01 -0.02 0.00 -1.10 0.00 0.00 59.98 58.84 1t2s h ARG 30 Cb 0.89 -0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 29.42 1t2s h ARG 30 CO 0.00 0.12 -0.09 -0.09 2.80 0.00 0.00 179.97 182.71 1t2s h ARG 31 N 0.19 0.06 -0.03 0.20 2.43 -1.74 -0.43 114.38 115.07 1t2s h ARG 31 Ca 0.12 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 1t2s h ARG 31 Cb 0.26 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.79 1t2s h ARG 31 CO -0.02 0.16 0.00 1.19 -1.51 0.00 0.00 179.97 179.79 1t2s n PHE 32 N -4.40 0.01 0.40 2.20 3.72 0.16 -3.80 117.46 115.76 1t2s n PHE 32 Ca -0.02 -0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.49 1t2s n PHE 32 Cb 0.19 -0.00 0.08 0.00 -0.94 0.00 0.00 39.48 38.80 1t2s n PHE 32 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 1t2s n LEU 33 N 1.20 0.72 -0.13 4.37 4.77 -0.28 -4.10 117.00 123.56 1t2s n LEU 33 Ca 0.13 0.21 -0.05 0.00 -0.03 0.00 0.00 56.01 56.26 1t2s n LEU 33 Cb 0.53 -0.12 0.01 0.00 -2.33 0.00 0.00 43.42 41.51 1t2s n LEU 33 CO 0.13 -0.08 0.70 -0.33 -1.33 0.00 0.00 177.39 176.49 1t2s h GLU 34 N 0.00 -0.13 -0.54 3.23 5.08 -1.23 -2.00 114.58 118.98 1t2s h GLU 34 Ca 0.00 0.01 0.16 0.00 -1.00 0.00 0.00 59.36 58.53 1t2s h GLU 34 Cb 0.83 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.09 1t2s h GLU 34 CO 0.00 -0.09 0.44 -1.35 -1.00 0.00 0.00 179.01 177.01 1t2s h PRO 35 N -0.14 0.00 0.00 2.33 0.11 -1.82 0.16 132.00 132.65 1t2s h PRO 35 Ca 0.21 0.00 -0.25 0.00 0.11 0.00 0.00 66.00 66.07 1t2s h PRO 35 Cb 0.46 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.53 1t2s h PRO 35 CO -0.52 0.00 -1.33 0.35 -0.21 0.00 0.00 178.00 176.29 1t2s h PHE 36 N 0.00 0.02 -0.01 0.65 3.57 -1.64 -3.30 116.94 116.23 1t2s h PHE 36 Ca 0.26 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.75 1t2s h PHE 36 Cb 1.14 -0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.88 1t2s h PHE 36 CO 0.00 1.02 -0.18 1.28 -2.23 0.00 0.00 178.31 178.20 1t2s n LEU 37 N -3.22 0.92 -4.55 0.59 4.32 0.33 -4.82 117.00 110.57 1t2s n LEU 37 Ca -0.08 -0.22 -0.36 0.00 -0.02 0.00 0.00 56.01 55.33 1t2s n LEU 37 Cb 0.99 -0.12 -0.03 0.00 -1.62 0.00 0.00 43.42 42.64 1t2s n LEU 37 CO 0.46 0.17 1.65 -0.60 -1.22 0.00 0.00 177.39 177.85 1t2s s ARG 38 N -2.42 2.48 0.00 3.23 3.52 0.04 -2.74 118.95 123.07 1t2s s ARG 38 Ca 0.28 0.66 0.00 0.00 -0.13 0.00 0.00 55.73 56.53 1t2s s ARG 38 Cb 0.20 -4.51 0.00 0.00 -1.56 0.00 0.00 34.95 29.07 1t2s s ARG 38 CO 0.48 -2.97 0.00 0.41 -0.81 0.00 0.00 175.30 172.41 1t2s n GLY 39 N 5.92 0.51 3.55 8.12 0.00 0.57 -5.03 105.19 118.83 1t2s n GLY 39 Ca 0.27 -0.26 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 1t2s n GLY 39 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1t2s s ILE 40 N -2.01 3.04 -0.22 -0.61 -4.36 -1.10 -4.92 121.20 111.01 1t2s s ILE 40 Ca 0.00 -1.76 -0.07 0.00 -0.26 0.00 0.00 60.65 58.56 1t2s s ILE 40 Cb 0.00 -2.51 -0.03 0.00 1.25 0.00 0.00 42.46 41.17 1t2s s ILE 40 CO 0.00 -0.14 0.07 0.20 0.24 0.00 0.00 174.94 175.31 1t2s s ASN 41 N -2.87 5.30 -0.04 4.36 0.01 -1.26 0.29 114.94 120.73 1t2s s ASN 41 Ca 0.25 -0.10 0.03 0.00 -0.71 0.00 0.00 52.86 52.32 1t2s s ASN 41 Cb -0.08 -1.93 0.00 0.00 0.41 0.00 0.00 41.25 39.64 1t2s s ASN 41 CO 0.14 0.04 -0.12 0.68 -1.51 0.00 0.00 177.10 176.34 1t2s s VAL 42 N 1.15 1.07 -0.37 1.60 -7.23 0.00 -2.21 120.40 114.40 1t2s s VAL 42 Ca 0.04 -0.50 -0.24 0.00 -1.81 0.00 0.00 61.98 59.47 1t2s s VAL 42 Cb -0.14 -0.94 0.01 0.00 0.56 0.00 0.00 36.38 35.87 1t2s s VAL 42 CO 0.03 0.32 0.81 -0.69 -0.31 0.00 0.00 175.10 175.27 1t2s s VAL 43 N 0.22 4.70 -0.36 1.32 1.01 0.14 -0.14 120.40 127.28 1t2s s VAL 43 Ca -0.05 0.90 -0.27 0.00 0.00 0.00 0.00 61.98 62.56 1t2s s VAL 43 Cb -0.11 -4.24 0.02 0.00 0.00 0.00 0.00 36.38 32.04 1t2s s VAL 43 CO 0.02 -0.48 1.00 -0.47 0.00 0.00 0.00 175.10 175.16 1t2s s TYR 44 N 3.19 3.08 -0.46 5.22 5.04 0.42 -1.57 117.35 132.28 1t2s s TYR 44 Ca 0.32 0.92 -0.14 0.00 -2.44 0.00 0.00 57.07 55.74 1t2s s TYR 44 Cb -0.13 -3.73 0.08 0.00 0.35 0.00 0.00 41.96 38.53 1t2s s TYR 44 CO 0.18 -0.84 0.36 0.95 -1.34 0.00 0.00 175.55 174.86 1t2s s THR 45 N 3.62 4.92 0.31 4.34 -4.23 -0.19 -1.96 115.64 122.45 1t2s s THR 45 Ca 0.42 -1.20 -0.29 0.00 -1.18 0.00 0.00 61.69 59.44 1t2s s THR 45 Cb -0.12 -3.97 -0.10 0.00 1.34 0.00 0.00 72.50 69.65 1t2s s THR 45 CO 0.19 -0.57 1.29 -2.84 -0.54 0.00 0.00 174.62 172.14 1t2s s PRO 46 N 1.57 4.39 0.42 3.99 0.02 -1.26 -4.81 135.00 139.32 1t2s s PRO 46 Ca 0.04 2.16 -0.25 0.00 0.02 0.00 0.00 61.00 62.96 1t2s s PRO 46 Cb -0.24 -3.10 -0.10 0.00 0.02 0.00 0.00 34.50 31.08 1t2s s PRO 46 CO 0.05 -0.16 1.26 -2.30 -0.33 0.00 0.00 177.00 175.51 1t2s n PRO 47 N 1.13 1.88 0.31 5.54 -0.02 -1.26 -4.85 135.00 137.73 1t2s n PRO 47 Ca 0.01 0.67 0.19 0.00 -2.02 0.00 0.00 63.50 62.35 1t2s n PRO 47 Cb 0.42 -2.36 1.01 0.00 -0.02 0.00 0.00 33.50 32.54 1t2s n PRO 47 CO 0.00 0.00 0.00 -0.56 1.98 0.00 0.00 175.50 176.92 1t2s h GLN 48 N 2.03 0.00 0.00 -0.52 -0.00 -1.95 0.10 115.11 114.77 1t2s h GLN 48 Ca -0.48 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.17 1t2s h GLN 48 Cb 1.30 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.78 1t2s h GLN 48 CO 0.60 0.00 0.00 0.43 -0.00 0.00 0.00 178.83 179.86 1t2s n SER 49 N -3.17 0.00 0.05 0.06 7.64 -1.26 -3.12 113.62 113.82 1t2s n SER 49 Ca -0.02 0.00 0.08 0.00 1.01 0.00 0.00 58.87 59.94 1t2s n SER 49 Cb 0.22 -0.32 -0.06 0.00 -1.01 0.00 0.00 64.21 63.04 1t2s n SER 49 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1t2s n PHE 50 N -1.32 0.73 -3.83 1.43 3.01 0.35 -4.97 117.46 112.87 1t2s n PHE 50 Ca 0.12 0.22 -0.28 0.00 1.01 0.00 0.00 57.45 58.52 1t2s n PHE 50 Cb 0.23 -0.90 0.04 0.00 -0.01 0.00 0.00 39.48 38.83 1t2s n PHE 50 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 1t2s n GLN 51 N -2.65 -5.95 -4.24 -1.08 3.00 -1.18 -4.99 117.38 100.29 1t2s n GLN 51 Ca -0.05 0.65 -0.23 0.00 -0.01 0.00 0.00 57.00 57.36 1t2s n GLN 51 Cb 0.65 -5.54 -0.07 0.00 0.00 0.00 0.00 30.24 25.29 1t2s n GLN 51 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 1t2s s SER 52 N -3.44 4.81 -0.16 1.08 0.15 -1.26 -5.11 113.70 109.77 1t2s s SER 52 Ca 0.57 -0.51 -0.15 0.00 0.70 0.00 0.00 55.95 56.56 1t2s s SER 52 Cb -0.28 -1.01 -0.04 0.00 -1.71 0.00 0.00 66.02 62.98 1t2s s SER 52 CO 0.81 0.01 0.34 0.00 1.20 0.00 0.00 173.24 175.60 1t2s s ALA 53 N -2.18 3.56 0.21 5.45 0.00 -1.26 -4.77 121.76 122.77 1t2s s ALA 53 Ca 0.31 -0.41 -0.31 0.00 0.00 0.00 0.00 51.96 51.54 1t2s s ALA 53 Cb -0.07 -2.48 -0.11 0.00 0.00 0.00 0.00 23.12 20.46 1t2s s ALA 53 CO 0.21 0.01 1.59 -2.14 0.00 0.00 0.00 175.76 175.44 1t2s s PRO 54 N 0.63 4.18 -0.00 0.00 0.02 -1.26 -4.81 135.00 133.75 1t2s s PRO 54 Ca 0.19 2.46 -0.00 0.00 0.02 0.00 0.00 61.00 63.66 1t2s s PRO 54 Cb -0.14 -3.10 0.00 0.00 0.02 0.00 0.00 34.50 31.28 1t2s s PRO 54 CO 0.06 -0.62 0.00 0.50 -0.33 0.00 0.00 177.00 176.61 1t2s s ARG 55 N 0.61 0.01 0.11 5.54 3.52 -0.83 -4.95 118.95 122.96 1t2s s ARG 55 Ca 0.68 0.00 -0.22 0.00 -0.13 0.00 0.00 55.73 56.07 1t2s s ARG 55 Cb -0.46 0.00 -0.07 0.00 -1.56 0.00 0.00 34.95 32.86 1t2s s ARG 55 CO 0.36 -0.00 0.67 0.54 -0.81 0.00 0.00 175.30 176.06 1t2s s VAL 56 N -0.00 4.58 0.05 7.11 0.11 -1.26 -0.44 120.40 130.55 1t2s s VAL 56 Ca -0.00 1.45 0.04 0.00 -2.93 0.00 0.00 61.98 60.53 1t2s s VAL 56 Cb -0.00 -4.01 -0.03 0.00 -1.53 0.00 0.00 36.38 30.81 1t2s s VAL 56 CO 0.00 0.53 -0.11 -0.31 -3.33 0.00 0.00 175.10 171.88 1t2s s TYR 57 N -1.06 0.92 -0.32 1.54 2.02 0.80 -4.93 117.35 116.33 1t2s s TYR 57 Ca 0.32 -0.46 -0.16 0.00 -0.37 0.00 0.00 57.07 56.40 1t2s s TYR 57 Cb -0.21 -0.53 -0.02 0.00 -0.40 0.00 0.00 41.96 40.80 1t2s s TYR 57 CO 0.22 -0.02 0.42 0.50 -1.57 0.00 0.00 175.55 175.11 1t2s s ARG 58 N -1.57 3.75 -0.18 -0.62 3.52 -1.26 -0.82 118.95 121.78 1t2s s ARG 58 Ca -0.06 -0.15 -0.29 0.00 -0.13 0.00 0.00 55.73 55.10 1t2s s ARG 58 Cb -0.10 -3.75 -0.03 0.00 -1.56 0.00 0.00 34.95 29.52 1t2s s ARG 58 CO 0.01 -0.48 1.48 0.08 -0.81 0.00 0.00 175.30 175.59 1t2s s VAL 59 N 2.17 3.89 0.04 7.11 1.01 0.15 -4.44 120.40 130.33 1t2s s VAL 59 Ca 0.15 1.04 0.10 0.00 0.00 0.00 0.00 61.98 63.28 1t2s s VAL 59 Cb -0.16 -3.79 -0.21 0.00 0.00 0.00 0.00 36.38 32.21 1t2s s VAL 59 CO 0.11 -0.23 1.00 0.78 0.00 0.00 0.00 175.10 176.77 1t2s h ASN 60 N 9.56 0.00 0.00 3.32 4.21 -1.79 0.17 115.58 131.05 1t2s h ASN 60 Ca -0.32 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.19 1t2s h ASN 60 Cb 1.14 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.34 1t2s h ASN 60 CO 0.99 0.99 0.00 0.61 -1.29 0.00 0.00 177.43 178.73 1t2s n GLY 61 N 1.44 -0.77 3.30 2.83 0.00 -1.05 -4.35 105.19 106.60 1t2s n GLY 61 Ca -0.08 -0.28 -0.16 0.00 0.00 0.00 0.00 46.02 45.50 1t2s n GLY 61 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1t2s s LEU 62 N 0.00 2.45 0.77 0.99 1.43 -1.26 -1.26 118.68 121.80 1t2s s LEU 62 Ca 0.00 -1.08 -0.10 0.00 -1.03 0.00 0.00 54.13 51.93 1t2s s LEU 62 Cb 0.00 -0.42 0.08 0.00 0.03 0.00 0.00 46.19 45.88 1t2s s LEU 62 CO 0.00 -0.34 1.11 -0.55 0.23 0.00 0.00 176.35 176.80 1t2s s SER 63 N -3.25 4.52 0.00 2.29 0.15 0.52 -4.67 113.70 113.25 1t2s s SER 63 Ca 0.22 0.55 0.26 0.00 0.70 0.00 0.00 55.95 57.68 1t2s s SER 63 Cb 0.03 -1.07 0.72 0.00 -1.71 0.00 0.00 66.02 63.98 1t2s s SER 63 CO 0.05 -1.84 1.54 0.54 1.20 0.00 0.00 173.24 174.73 1t2s n ARG 64 N -3.16 0.52 -4.00 5.44 5.12 -1.26 -4.61 116.66 114.71 1t2s n ARG 64 Ca 0.09 -0.29 -0.11 0.00 -1.93 0.00 0.00 57.85 55.60 1t2s n ARG 64 Cb 0.61 -1.49 -0.12 0.00 -1.16 0.00 0.00 32.46 30.29 1t2s n ARG 64 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1t2s s ALA 65 N -2.68 0.24 1.01 7.54 0.00 -1.26 -5.08 121.76 121.54 1t2s s ALA 65 Ca 0.20 -0.49 -0.12 0.00 0.00 0.00 0.00 51.96 51.55 1t2s s ALA 65 Cb 0.19 0.07 0.16 0.00 0.00 0.00 0.00 23.12 23.54 1t2s s ALA 65 CO 0.58 -0.07 0.85 -0.35 0.00 0.00 0.00 175.76 176.77 1t2s n PRO 66 N 1.97 -1.06 0.25 0.00 -0.04 -1.26 -2.80 135.00 132.06 1t2s n PRO 66 Ca -0.20 -0.26 0.09 0.00 -0.04 0.00 0.00 63.50 63.09 1t2s n PRO 66 Cb 0.56 -2.15 0.66 0.00 -0.04 0.00 0.00 33.50 32.53 1t2s n PRO 66 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1t2s h ALA 67 N -2.06 1.63 0.00 0.55 0.00 -0.13 0.17 119.26 119.43 1t2s h ALA 67 Ca -0.49 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.33 1t2s h ALA 67 Cb 1.30 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1t2s h ALA 67 CO 0.41 0.12 0.00 0.77 0.00 0.00 0.00 179.25 180.56 1t2s h SER 68 N 0.00 0.00 0.00 0.00 0.02 -1.65 -0.82 113.55 111.10 1t2s h SER 68 Ca -0.00 0.00 -0.40 0.00 -0.84 0.00 0.00 61.79 60.55 1t2s h SER 68 Cb 0.20 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 62.68 1t2s h SER 68 CO 0.01 0.00 -2.20 -0.24 -1.14 0.00 0.00 176.83 173.27 1t2s n SER 69 N -2.67 1.94 -4.67 3.07 2.88 0.37 -4.89 113.62 109.64 1t2s n SER 69 Ca 0.03 0.33 -0.46 0.00 -1.33 0.00 0.00 58.87 57.45 1t2s n SER 69 Cb 0.40 -0.84 -0.04 0.00 -0.75 0.00 0.00 64.21 62.98 1t2s n SER 69 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1t2s n GLU 70 N -4.23 2.44 -4.96 -1.46 -0.58 0.10 -4.94 120.64 107.02 1t2s n GLU 70 Ca -0.48 0.89 -0.31 0.00 -0.42 0.00 0.00 57.16 56.85 1t2s n GLU 70 Cb 0.84 -2.78 -0.15 0.00 -0.57 0.00 0.00 31.44 28.79 1t2s n GLU 70 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 1t2s s THR 71 N 4.14 2.30 0.03 2.62 2.01 -1.26 -1.81 115.64 123.68 1t2s s THR 71 Ca 0.91 -1.24 -0.01 0.00 0.31 0.00 0.00 61.69 61.66 1t2s s THR 71 Cb -0.60 -1.89 -0.03 0.00 0.01 0.00 0.00 72.50 70.00 1t2s s THR 71 CO 0.48 0.43 -0.01 0.72 -0.69 0.00 0.00 174.62 175.54 1t2s s PHE 72 N -0.77 0.35 -0.46 4.92 -0.71 0.28 -4.95 117.98 116.63 1t2s s PHE 72 Ca 0.12 -0.73 -0.17 0.00 -1.04 0.00 0.00 56.93 55.11 1t2s s PHE 72 Cb -0.10 -0.26 0.05 0.00 -1.21 0.00 0.00 43.02 41.50 1t2s s PHE 72 CO 0.02 -0.28 0.46 -2.00 -1.34 0.00 0.00 175.22 172.07 1t2s s GLU 73 N -2.54 3.05 -0.08 1.99 2.12 -1.26 -0.98 118.70 121.00 1t2s s GLU 73 Ca -0.06 -1.02 0.03 0.00 0.36 0.00 0.00 54.97 54.28 1t2s s GLU 73 Cb -0.02 -4.06 0.00 0.00 0.26 0.00 0.00 34.13 30.32 1t2s s GLU 73 CO -0.05 -1.00 -0.19 -1.58 -0.54 0.00 0.00 175.26 171.90 1t2s s HIS 74 N 2.05 2.11 0.00 5.30 2.46 0.36 -4.57 115.29 123.00 1t2s s HIS 74 Ca 0.09 -0.83 0.00 0.00 0.47 0.00 0.00 55.06 54.79 1t2s s HIS 74 Cb -0.20 -1.45 0.00 0.00 -0.13 0.00 0.00 32.58 30.80 1t2s s HIS 74 CO 0.10 -0.36 0.00 -3.47 -2.47 0.00 0.00 174.74 168.55 1t2s n ASP 75 N 3.62 -3.86 0.00 9.88 2.03 -1.26 -0.72 116.55 126.23 1t2s n ASP 75 Ca -0.20 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.11 1t2s n ASP 75 Cb 0.52 -2.33 0.00 0.00 -0.72 0.00 0.00 41.12 38.59 1t2s n ASP 75 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1t2s n GLY 76 N -0.69 0.77 3.50 0.27 0.00 -1.26 -5.06 105.19 102.71 1t2s n GLY 76 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1t2s n GLY 76 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1t2s s LYS 77 N -0.59 3.69 -0.83 1.61 -0.14 0.10 -5.05 119.74 118.53 1t2s s LYS 77 Ca 0.00 -0.51 -0.23 0.00 -1.36 0.00 0.00 55.97 53.87 1t2s s LYS 77 Cb 0.00 -2.96 0.07 0.00 -1.68 0.00 0.00 37.83 33.26 1t2s s LYS 77 CO 0.00 0.22 1.20 0.15 -0.76 0.00 0.00 175.35 176.16 1t2s s LYS 78 N 0.44 3.35 0.15 1.68 1.02 -1.26 -0.49 119.74 124.63 1t2s s LYS 78 Ca -0.03 -0.95 0.06 0.00 0.02 0.00 0.00 55.97 55.07 1t2s s LYS 78 Cb -0.14 -4.65 -0.04 0.00 -0.52 0.00 0.00 37.83 32.48 1t2s s LYS 78 CO 0.03 -1.99 0.06 0.14 -0.92 0.00 0.00 175.35 172.67 1t2s s VAL 79 N 4.44 4.14 0.52 3.17 -7.23 -0.15 -4.82 120.40 120.48 1t2s s VAL 79 Ca 0.34 -1.17 -0.04 0.00 -1.81 0.00 0.00 61.98 59.30 1t2s s VAL 79 Cb -0.08 -3.08 -0.01 0.00 0.56 0.00 0.00 36.38 33.78 1t2s s VAL 79 CO 0.02 -0.06 0.81 0.42 -0.31 0.00 0.00 175.10 175.98 1t2s s THR 80 N -1.65 4.11 0.28 5.32 -4.23 -1.26 -0.56 115.64 117.65 1t2s s THR 80 Ca 0.29 -0.07 -0.03 0.00 -1.18 0.00 0.00 61.69 60.70 1t2s s THR 80 Cb -0.10 -3.58 0.26 0.00 1.34 0.00 0.00 72.50 70.42 1t2s s THR 80 CO 0.21 -0.54 1.94 0.40 -0.54 0.00 0.00 174.62 176.09 1t2s h ILE 81 N 0.08 1.20 0.01 2.99 1.08 -0.80 0.11 117.51 122.19 1t2s h ILE 81 Ca -0.46 -0.42 -0.00 0.00 -0.39 0.00 0.00 64.86 63.59 1t2s h ILE 81 Cb 1.24 -0.11 0.00 0.00 -3.07 0.00 0.00 36.82 34.88 1t2s h ILE 81 CO 0.60 0.22 -0.01 0.00 -0.69 0.00 0.00 178.15 178.28 1t2s h ALA 82 N 1.44 -0.02 0.00 1.87 0.00 -1.46 -2.46 119.26 118.63 1t2s h ALA 82 Ca 0.35 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 55.10 1t2s h ALA 82 Cb -0.08 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1t2s h ALA 82 CO -0.09 -0.43 -0.36 0.66 0.00 0.00 0.00 179.25 179.03 1t2s h SER 83 N -0.18 0.00 -0.12 0.00 4.64 -1.73 0.07 113.55 116.23 1t2s h SER 83 Ca -0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1t2s h SER 83 Cb 0.17 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.26 1t2s h SER 83 CO 0.00 0.36 0.06 0.22 -0.87 0.00 0.00 176.83 176.60 1t2s h TYR 84 N 0.00 0.18 -0.44 4.77 3.20 -0.62 0.17 116.97 124.22 1t2s h TYR 84 Ca -0.00 -0.01 -0.13 0.00 3.14 0.00 0.00 58.73 61.73 1t2s h TYR 84 Cb 0.80 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 39.01 1t2s h TYR 84 CO 0.00 0.24 -0.24 0.74 -1.64 0.00 0.00 178.16 177.25 1t2s h PHE 85 N 0.06 1.06 -0.60 -3.82 -1.00 -1.18 -2.79 116.94 108.67 1t2s h PHE 85 Ca 0.04 -0.26 -0.04 0.00 2.81 0.00 0.00 57.97 60.52 1t2s h PHE 85 Cb 0.13 -0.25 -0.03 0.00 3.61 0.00 0.00 35.95 39.41 1t2s h PHE 85 CO -0.03 1.06 0.22 1.25 -1.61 0.00 0.00 178.31 179.21 1t2s h HIS 86 N 0.79 0.94 0.00 -0.55 2.76 -0.54 0.04 115.15 118.60 1t2s h HIS 86 Ca 0.10 -0.08 -0.04 0.00 -2.20 0.00 0.00 60.37 58.15 1t2s h HIS 86 Cb 0.80 -0.28 -0.01 0.00 1.55 0.00 0.00 27.41 29.48 1t2s h HIS 86 CO 0.05 0.76 -0.19 0.66 -1.30 0.00 0.00 177.93 177.91 1t2s h SER 87 N 0.85 0.00 -0.33 3.26 4.64 -0.63 -0.25 113.55 121.08 1t2s h SER 87 Ca 0.20 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.50 1t2s h SER 87 Cb 0.23 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.31 1t2s h SER 87 CO -0.01 0.19 0.02 0.54 -0.87 0.00 0.00 176.83 176.70 1t2s n ARG 88 N -3.58 3.08 -2.76 4.77 1.74 -0.83 -4.88 116.66 114.18 1t2s n ARG 88 Ca -0.01 -1.74 -0.09 0.00 -0.77 0.00 0.00 57.85 55.24 1t2s n ARG 88 Cb 0.33 -1.91 0.04 0.00 -1.02 0.00 0.00 32.46 29.90 1t2s n ARG 88 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1t2s n ASN 89 N 0.30 -2.79 -3.45 0.55 5.03 -0.11 -4.67 115.26 110.12 1t2s n ASN 89 Ca 0.17 -0.25 -0.22 0.00 0.87 0.00 0.00 54.58 55.15 1t2s n ASN 89 Cb 0.80 -2.48 -0.12 0.00 -1.02 0.00 0.00 39.78 36.96 1t2s n ASN 89 CO 0.00 0.00 0.00 -0.47 -1.83 0.00 0.00 177.26 174.96 1t2s s TYR 90 N -3.15 -0.16 -0.14 3.10 5.04 -0.06 -4.92 117.35 117.06 1t2s s TYR 90 Ca 0.10 -0.47 -0.29 0.00 -2.44 0.00 0.00 57.07 53.97 1t2s s TYR 90 Cb -0.05 -0.63 -0.01 0.00 0.35 0.00 0.00 41.96 41.62 1t2s s TYR 90 CO 0.32 -0.89 1.15 -1.25 -1.34 0.00 0.00 175.55 173.53 1t2s s PRO 91 N 2.22 4.31 0.10 4.97 0.04 -1.26 -2.27 135.00 143.10 1t2s s PRO 91 Ca 0.10 1.54 -0.30 0.00 0.04 0.00 0.00 61.00 62.37 1t2s s PRO 91 Cb -0.15 -3.64 -0.06 0.00 0.04 0.00 0.00 34.50 30.69 1t2s s PRO 91 CO -0.33 -0.55 1.20 -0.51 0.04 0.00 0.00 177.00 176.85 1t2s s LEU 92 N 2.80 4.39 0.09 -3.56 1.43 -1.26 -4.93 118.68 117.65 1t2s s LEU 92 Ca 0.51 2.08 0.09 0.00 -1.03 0.00 0.00 54.13 55.78 1t2s s LEU 92 Cb -0.20 -3.59 -0.20 0.00 0.03 0.00 0.00 46.19 42.23 1t2s s LEU 92 CO 0.15 -0.44 1.15 0.11 0.23 0.00 0.00 176.35 177.55 1t2s h LYS 93 N 6.39 0.00 -2.07 1.70 1.57 -2.02 -3.37 116.57 118.77 1t2s h LYS 93 Ca -0.42 0.00 -0.55 0.00 -1.87 0.00 0.00 60.65 57.81 1t2s h LYS 93 Cb 1.21 0.00 -0.41 0.00 0.08 0.00 0.00 32.23 33.11 1t2s h LYS 93 CO 0.80 0.85 -0.83 1.19 -0.57 0.00 0.00 179.45 180.89 1t2s n PHE 94 N -3.27 2.81 0.74 -1.35 3.01 -1.26 -4.58 117.46 113.55 1t2s n PHE 94 Ca -0.04 -3.81 0.08 0.00 1.01 0.00 0.00 57.45 54.70 1t2s n PHE 94 Cb 0.95 -0.42 0.41 0.00 -0.01 0.00 0.00 39.48 40.40 1t2s n PHE 94 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 1t2s n PRO 95 N -0.12 0.18 -0.10 -1.08 -0.04 -1.26 -1.44 135.00 131.15 1t2s n PRO 95 Ca 0.29 0.15 0.07 0.00 -0.04 0.00 0.00 63.50 63.97 1t2s n PRO 95 Cb 0.51 -1.50 0.27 0.00 -0.04 0.00 0.00 33.50 32.74 1t2s n PRO 95 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 1t2s n GLN 96 N -1.34 1.59 -1.68 0.54 7.27 -1.26 -1.70 117.38 120.80 1t2s n GLN 96 Ca 0.07 -0.90 -0.42 0.00 0.07 0.00 0.00 57.00 55.82 1t2s n GLN 96 Cb 0.15 -1.29 -0.03 0.00 2.41 0.00 0.00 30.24 31.47 1t2s n GLN 96 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 1t2s n LEU 97 N 0.17 4.08 -4.65 1.69 4.77 -0.52 -4.49 117.00 118.05 1t2s n LEU 97 Ca 0.12 0.96 -0.44 0.00 -0.03 0.00 0.00 56.01 56.62 1t2s n LEU 97 Cb 0.25 -1.54 -0.04 0.00 -2.33 0.00 0.00 43.42 39.77 1t2s n LEU 97 CO 0.09 0.18 1.61 1.41 -1.33 0.00 0.00 177.39 179.36 1t2s n HIS 98 N 6.35 2.37 -1.67 -1.77 8.25 -1.26 -0.93 115.22 126.56 1t2s n HIS 98 Ca 0.19 -0.22 -0.42 0.00 -0.26 0.00 0.00 57.72 57.01 1t2s n HIS 98 Cb 0.38 -2.75 0.00 0.00 1.12 0.00 0.00 29.99 28.75 1t2s n HIS 98 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1t2s s LEU 100 N -0.87 4.34 -0.76 0.00 2.96 0.20 -0.36 118.68 124.21 1t2s s LEU 100 Ca 0.59 2.33 -0.17 0.00 -0.22 0.00 0.00 54.13 56.66 1t2s s LEU 100 Cb -0.57 -3.55 0.16 0.00 0.50 0.00 0.00 46.19 42.73 1t2s s LEU 100 CO 0.60 -0.88 0.80 0.21 -1.32 0.00 0.00 176.35 175.76 1t2s s ASN 101 N 2.72 6.52 0.48 3.68 3.84 -0.39 -2.37 114.94 129.42 1t2s s ASN 101 Ca 0.72 -2.11 0.00 0.00 0.21 0.00 0.00 52.86 51.68 1t2s s ASN 101 Cb -0.36 -2.28 -0.00 0.00 -0.55 0.00 0.00 41.25 38.06 1t2s s ASN 101 CO 0.30 -0.86 0.00 1.33 -2.79 0.00 0.00 177.10 175.09 1t2s n VAL 102 N 4.87 0.00 0.00 -5.21 0.24 -0.97 -2.53 118.33 114.73 1t2s n VAL 102 Ca 0.07 -2.28 0.00 0.00 -2.04 0.00 0.00 64.34 60.09 1t2s n VAL 102 Cb 0.45 0.47 0.00 0.00 -1.47 0.00 0.00 33.84 33.29 1t2s n VAL 102 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1t2s n GLY 103 N -0.76 1.16 3.50 7.63 0.00 -1.26 -1.07 105.19 114.39 1t2s n GLY 103 Ca -0.20 -0.83 -0.12 0.00 0.00 0.00 0.00 46.02 44.87 1t2s n GLY 103 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1t2s n SER 104 N 2.62 -1.71 -0.09 1.61 7.64 -0.26 -4.99 113.62 118.44 1t2s n SER 104 Ca 0.00 -2.77 -0.14 0.00 1.01 0.00 0.00 58.87 56.97 1t2s n SER 104 Cb 0.00 3.02 -0.04 0.00 -1.01 0.00 0.00 64.21 66.18 1t2s n SER 104 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1t2s h SER 105 N 1.97 0.87 0.48 6.43 0.02 -1.99 -2.13 113.55 119.20 1t2s h SER 105 Ca -0.29 -0.50 -0.15 0.00 -0.84 0.00 0.00 61.79 60.00 1t2s h SER 105 Cb 1.20 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 63.48 1t2s h SER 105 CO 0.39 1.20 -0.66 0.16 -1.14 0.00 0.00 176.83 176.78 1t2s h ILE 106 N 0.56 1.43 -2.79 3.27 3.07 -2.00 -3.36 117.51 117.69 1t2s h ILE 106 Ca 0.03 -2.16 -0.60 0.00 1.55 0.00 0.00 64.86 63.68 1t2s h ILE 106 Cb 1.01 2.14 -0.40 0.00 -0.27 0.00 0.00 36.82 39.30 1t2s h ILE 106 CO 0.10 0.63 -0.79 -0.75 -1.05 0.00 0.00 178.15 176.29 1t2s s LYS 107 N -3.60 1.26 -0.04 0.16 2.20 -1.21 -5.10 119.74 113.41 1t2s s LYS 107 Ca -0.03 -2.12 -0.21 0.00 -0.36 0.00 0.00 55.97 53.25 1t2s s LYS 107 Cb 0.12 -2.12 -0.05 0.00 -1.51 0.00 0.00 37.83 34.27 1t2s s LYS 107 CO 0.79 -1.24 0.61 -1.54 -0.36 0.00 0.00 175.35 173.61 1t2s s SER 108 N 0.13 6.94 -0.13 1.43 1.04 -0.80 -1.10 113.70 121.20 1t2s s SER 108 Ca 0.22 1.13 0.01 0.00 0.48 0.00 0.00 55.95 57.79 1t2s s SER 108 Cb -0.15 -2.37 -0.01 0.00 0.10 0.00 0.00 66.02 63.60 1t2s s SER 108 CO -0.07 0.03 -0.16 0.27 0.98 0.00 0.00 173.24 174.28 1t2s s ILE 109 N 0.20 2.69 -0.24 -1.02 -4.36 -0.23 -4.96 121.20 113.28 1t2s s ILE 109 Ca 0.32 -0.78 -0.08 0.00 -0.26 0.00 0.00 60.65 59.85 1t2s s ILE 109 Cb -0.18 -2.11 -0.04 0.00 1.25 0.00 0.00 42.46 41.38 1t2s s ILE 109 CO 0.17 0.53 0.10 -0.76 0.24 0.00 0.00 174.94 175.21 1t2s s LEU 110 N 0.52 3.66 0.03 0.37 1.02 -1.25 -2.30 118.68 120.74 1t2s s LEU 110 Ca -0.11 -0.10 0.05 0.00 0.02 0.00 0.00 54.13 53.99 1t2s s LEU 110 Cb -0.16 -1.98 -0.02 0.00 0.02 0.00 0.00 46.19 44.05 1t2s s LEU 110 CO 0.04 0.00 -0.14 -0.76 0.02 0.00 0.00 176.35 175.52 1t2s s LEU 111 N 1.42 2.15 -0.36 1.79 1.43 -1.00 -4.83 118.68 119.27 1t2s s LEU 111 Ca 0.06 -0.41 -0.29 0.00 -1.03 0.00 0.00 54.13 52.45 1t2s s LEU 111 Cb -0.15 -0.59 -0.08 0.00 0.03 0.00 0.00 46.19 45.40 1t2s s LEU 111 CO 0.05 0.05 2.30 -2.65 0.23 0.00 0.00 176.35 176.33 1t2s n PRO 112 N 2.05 1.41 0.32 1.29 -0.02 -1.26 -0.62 135.00 138.17 1t2s n PRO 112 Ca -0.17 0.30 0.20 0.00 -2.02 0.00 0.00 63.50 61.81 1t2s n PRO 112 Cb 0.55 -3.06 1.04 0.00 -0.02 0.00 0.00 33.50 32.01 1t2s n PRO 112 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 1t2s h ILE 113 N 7.35 0.10 -0.90 4.25 2.10 -1.93 0.23 117.51 128.72 1t2s h ILE 113 Ca -0.31 -0.16 0.21 0.00 1.08 0.00 0.00 64.86 65.68 1t2s h ILE 113 Cb 1.27 1.14 -0.06 0.00 -1.09 0.00 0.00 36.82 38.08 1t2s h ILE 113 CO 1.05 0.01 0.60 -0.08 -1.08 0.00 0.00 178.15 178.65 1t2s h GLU 114 N 0.00 0.33 -0.48 2.19 4.81 -1.95 -0.79 114.58 118.70 1t2s h GLU 114 Ca -0.00 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1t2s h GLU 114 Cb 0.14 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.44 1t2s h GLU 114 CO 0.00 0.22 0.00 1.28 -0.73 0.00 0.00 179.01 179.78 1t2s n LEU 115 N -4.48 3.45 -4.95 1.64 4.77 0.80 -4.69 117.00 113.55 1t2s n LEU 115 Ca 0.19 -1.73 -0.25 0.00 -0.03 0.00 0.00 56.01 54.20 1t2s n LEU 115 Cb 0.74 -0.31 -0.03 0.00 -2.33 0.00 0.00 43.42 41.49 1t2s n LEU 115 CO 0.32 0.80 -0.02 0.00 -1.33 0.00 0.00 177.39 177.16 1t2s s SER 117 N -3.48 -0.34 0.04 0.00 0.15 -0.61 -1.74 113.70 107.73 1t2s s SER 117 Ca 0.36 0.63 -0.30 0.00 0.70 0.00 0.00 55.95 57.34 1t2s s SER 117 Cb -0.10 0.58 -0.05 0.00 -1.71 0.00 0.00 66.02 64.74 1t2s s SER 117 CO 0.29 -0.14 1.10 -0.63 1.20 0.00 0.00 173.24 175.06 1t2s s ILE 118 N 0.75 4.38 0.27 6.45 1.01 0.14 0.27 121.20 134.46 1t2s s ILE 118 Ca -0.05 1.73 -0.29 0.00 0.00 0.00 0.00 60.65 62.04 1t2s s ILE 118 Cb -0.06 -4.11 -0.09 0.00 0.01 0.00 0.00 42.46 38.21 1t2s s ILE 118 CO -0.05 0.14 1.00 -0.70 0.00 0.00 0.00 174.94 175.33 1t2s s GLU 119 N 0.95 4.73 0.21 2.79 2.12 -0.94 -0.03 118.70 128.52 1t2s s GLU 119 Ca 0.55 1.57 0.13 0.00 0.36 0.00 0.00 54.97 57.59 1t2s s GLU 119 Cb -0.26 -3.16 0.73 0.00 0.26 0.00 0.00 34.13 31.70 1t2s s GLU 119 CO 0.29 0.36 1.39 -0.85 -0.54 0.00 0.00 175.26 175.92 1t2s n GLU 120 N 1.22 0.09 0.05 4.30 0.28 -0.79 -2.95 120.64 122.84 1t2s n GLU 120 Ca -0.01 0.58 -0.11 0.00 -0.16 0.00 0.00 57.16 57.46 1t2s n GLU 120 Cb 0.47 -1.83 -0.04 0.00 1.43 0.00 0.00 31.44 31.47 1t2s n GLU 120 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 177.13 177.75 1t2s h GLY 121 N 0.00 -0.28 0.96 -1.84 0.00 -1.91 -2.79 103.07 97.22 1t2s h GLY 121 Ca 0.00 0.24 0.00 0.00 0.00 0.00 0.00 47.33 47.57 1t2s h GLY 121 CO 0.00 -0.18 -0.78 -1.06 0.00 0.00 0.00 176.54 174.52 1t2s n GLN 122 N -5.33 0.30 0.00 4.80 6.02 -1.15 -5.19 117.38 116.83 1t2s n GLN 122 Ca -0.05 0.06 0.00 0.00 -0.01 0.00 0.00 57.00 57.00 1t2s n GLN 122 Cb 0.25 -1.66 0.00 0.00 1.02 0.00 0.00 30.24 29.85 1t2s n GLN 122 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05