#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 3.47 -0.91 4.61 0.00 -1.26 -5.00 121.76 122.67 1t2s s ALA 2 Ca 0.00 -0.03 -0.24 0.00 0.00 0.00 0.00 51.96 51.68 1t2s s ALA 2 Cb 0.00 -2.65 0.04 0.00 0.00 0.00 0.00 23.12 20.51 1t2s s ALA 2 CO 0.00 0.40 1.40 1.41 0.00 0.00 0.00 175.76 178.97 1t2s s MET 3 N -2.33 3.42 -0.04 0.00 -2.45 -1.26 -4.96 119.30 111.67 1t2s s MET 3 Ca 0.44 -0.78 0.05 0.00 -1.25 0.00 0.00 55.69 54.16 1t2s s MET 3 Cb -0.14 -4.93 -0.02 0.00 1.25 0.00 0.00 34.83 30.99 1t2s s MET 3 CO 0.20 -2.22 -0.19 0.00 1.05 0.00 0.00 175.02 173.86 1t2s s ALA 4 N 5.38 2.44 -0.32 4.11 0.00 -1.26 -3.68 121.76 128.44 1t2s s ALA 4 Ca 0.43 -1.03 -0.01 0.00 0.00 0.00 0.00 51.96 51.35 1t2s s ALA 4 Cb -0.03 -0.81 0.07 0.00 0.00 0.00 0.00 23.12 22.35 1t2s s ALA 4 CO -0.01 0.52 0.04 -1.64 0.00 0.00 0.00 175.76 174.67 1t2s s MET 5 N -0.58 2.24 0.26 0.00 -1.94 0.27 -4.90 119.30 114.64 1t2s s MET 5 Ca 0.08 -1.44 -0.29 0.00 -1.71 0.00 0.00 55.69 52.33 1t2s s MET 5 Cb -0.11 -3.25 -0.15 0.00 2.01 0.00 0.00 34.83 33.33 1t2s s MET 5 CO 0.01 -0.74 1.03 -2.30 -0.01 0.00 0.00 175.02 173.00 1t2s n PRO 6 N 4.57 1.25 -0.04 2.03 -0.02 -1.26 0.30 135.00 141.83 1t2s n PRO 6 Ca -0.09 0.44 0.03 0.00 -2.02 0.00 0.00 63.50 61.85 1t2s n PRO 6 Cb 0.43 -1.83 0.37 0.00 -0.02 0.00 0.00 33.50 32.45 1t2s n PRO 6 CO 0.00 0.00 0.00 0.52 1.98 0.00 0.00 175.50 178.00 1t2s h MET 7 N 2.33 0.63 -0.12 -0.52 2.86 -0.89 0.29 114.93 119.50 1t2s h MET 7 Ca -0.40 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.18 1t2s h MET 7 Cb 1.34 -0.13 -0.00 0.00 0.06 0.00 0.00 31.60 32.87 1t2s h MET 7 CO 0.63 0.45 0.02 0.82 1.06 0.00 0.00 176.91 179.89 1t2s h ILE 8 N 0.64 1.22 -0.90 -1.22 1.08 -1.79 -1.05 117.51 115.48 1t2s h ILE 8 Ca 0.17 -0.68 0.09 0.00 -0.39 0.00 0.00 64.86 64.04 1t2s h ILE 8 Cb -0.01 1.44 -0.07 0.00 -3.07 0.00 0.00 36.82 35.10 1t2s h ILE 8 CO -0.03 0.20 0.55 -0.08 -0.69 0.00 0.00 178.15 178.10 1t2s h GLU 9 N -0.02 0.92 -0.38 2.37 4.57 -1.51 0.15 114.58 120.69 1t2s h GLU 9 Ca 0.04 -0.06 -0.01 0.00 -1.18 0.00 0.00 59.36 58.16 1t2s h GLU 9 Cb 0.29 -0.21 -0.02 0.00 -0.16 0.00 0.00 28.75 28.65 1t2s h GLU 9 CO 0.00 0.61 0.21 -0.92 -1.18 0.00 0.00 179.01 177.73 1t2s h TYR 10 N 0.95 0.52 -0.64 0.92 3.20 -0.30 -1.68 116.97 119.94 1t2s h TYR 10 Ca 0.42 -0.01 -0.08 0.00 3.14 0.00 0.00 58.73 62.20 1t2s h TYR 10 Cb 0.31 -0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.39 1t2s h TYR 10 CO -0.03 0.39 0.08 -0.07 -1.64 0.00 0.00 178.16 176.90 1t2s h LEU 11 N 0.49 1.03 0.65 2.82 3.38 -0.02 -0.94 115.31 122.72 1t2s h LEU 11 Ca 0.13 -0.27 -0.03 0.00 0.09 0.00 0.00 57.88 57.80 1t2s h LEU 11 Cb 0.04 -0.27 0.01 0.00 0.09 0.00 0.00 40.66 40.52 1t2s h LEU 11 CO -0.02 1.04 -0.31 -0.33 0.09 0.00 0.00 178.44 178.90 1t2s h GLU 12 N 0.98 -0.85 -0.17 1.13 5.08 -0.51 0.90 114.58 121.14 1t2s h GLU 12 Ca 0.19 0.06 -0.18 0.00 -1.00 0.00 0.00 59.36 58.43 1t2s h GLU 12 Cb 0.46 0.19 0.01 0.00 0.50 0.00 0.00 28.75 29.91 1t2s h GLU 12 CO 0.02 -0.56 -0.60 0.00 -1.00 0.00 0.00 179.01 176.87 1t2s h ARG 13 N -0.90 0.71 0.00 2.33 3.08 -1.31 0.87 114.38 119.16 1t2s h ARG 13 Ca -0.09 -0.54 0.00 0.00 0.07 0.00 0.00 59.98 59.42 1t2s h ARG 13 Cb 0.68 0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.83 1t2s h ARG 13 CO 0.15 1.16 -0.78 1.19 -1.07 0.00 0.00 179.97 180.62 1t2s n PHE 14 N -4.08 0.41 -0.10 3.04 3.01 -0.36 -3.69 117.46 115.69 1t2s n PHE 14 Ca -0.07 0.18 -0.13 0.00 1.01 0.00 0.00 57.45 58.44 1t2s n PHE 14 Cb 0.65 -0.62 -0.03 0.00 -0.01 0.00 0.00 39.48 39.47 1t2s n PHE 14 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 1t2s h SER 15 N -0.99 0.86 0.00 4.37 0.87 -1.26 -3.31 113.55 114.09 1t2s h SER 15 Ca 0.00 -0.47 0.00 0.00 -1.23 0.00 0.00 61.79 60.09 1t2s h SER 15 Cb 0.78 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 62.50 1t2s h SER 15 CO 0.00 1.15 -1.75 0.18 -0.53 0.00 0.00 176.83 175.88 1t2s n LEU 16 N -4.18 0.00 -0.32 2.23 4.77 0.20 -4.97 117.00 114.73 1t2s n LEU 16 Ca -0.03 -0.00 -0.04 0.00 -0.03 0.00 0.00 56.01 55.90 1t2s n LEU 16 Cb 0.50 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.57 1t2s n LEU 16 CO 0.46 0.00 -0.04 0.29 -1.33 0.00 0.00 177.39 176.77 1t2s n LYS 17 N -2.07 -1.09 -3.75 3.23 4.76 -0.37 -4.95 118.16 113.91 1t2s n LYS 17 Ca -0.03 0.52 -0.13 0.00 -2.87 0.00 0.00 58.31 55.80 1t2s n LYS 17 Cb 0.43 -4.46 -0.08 0.00 -1.84 0.00 0.00 35.03 29.08 1t2s n LYS 17 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1t2s s ALA 18 N -1.76 -0.78 0.35 7.82 0.00 0.16 -4.92 121.76 122.63 1t2s s ALA 18 Ca 0.00 0.24 -0.29 0.00 0.00 0.00 0.00 51.96 51.92 1t2s s ALA 18 Cb 0.00 0.16 -0.11 0.00 0.00 0.00 0.00 23.12 23.18 1t2s s ALA 18 CO 0.00 -0.32 1.40 0.15 0.00 0.00 0.00 175.76 176.99 1t2s s LYS 19 N -1.75 4.24 0.02 0.00 -0.14 -1.26 -4.37 119.74 116.48 1t2s s LYS 19 Ca -0.11 2.39 -0.24 0.00 -1.36 0.00 0.00 55.97 56.65 1t2s s LYS 19 Cb -0.04 -3.03 -0.05 0.00 -1.68 0.00 0.00 37.83 33.04 1t2s s LYS 19 CO 0.02 -0.36 0.75 0.42 -0.76 0.00 0.00 175.35 175.41 1t2s s ILE 20 N -1.03 4.80 0.00 2.17 1.01 -1.26 -4.83 121.20 122.05 1t2s s ILE 20 Ca 0.52 1.58 0.00 0.00 0.00 0.00 0.00 60.65 62.75 1t2s s ILE 20 Cb -0.43 -4.09 0.00 0.00 0.01 0.00 0.00 42.46 37.95 1t2s s ILE 20 CO 0.57 0.35 0.00 0.59 0.00 0.00 0.00 174.94 176.44 1t2s n ASN 21 N 2.96 0.00 0.00 3.58 4.13 -1.26 -4.98 115.26 119.70 1t2s n ASN 21 Ca -0.02 -0.21 0.11 0.00 1.68 0.00 0.00 54.58 56.13 1t2s n ASN 21 Cb 0.50 0.00 0.53 0.00 -1.54 0.00 0.00 39.78 39.27 1t2s n ASN 21 CO 0.00 0.00 0.00 -0.46 0.28 0.00 0.00 177.26 177.08 1t2s n ASN 22 N -0.61 0.00 0.00 6.41 6.94 -1.26 -2.95 115.26 123.79 1t2s n ASN 22 Ca 0.00 0.10 -0.02 0.00 -0.02 0.00 0.00 54.58 54.65 1t2s n ASN 22 Cb 0.00 -0.34 -0.11 0.00 -2.36 0.00 0.00 39.78 36.97 1t2s n ASN 22 CO 0.00 0.00 0.00 0.35 -1.03 0.00 0.00 177.26 176.58 1t2s n THR 23 N -1.34 1.16 -2.38 5.53 -2.24 -1.26 -4.85 114.28 108.91 1t2s n THR 23 Ca 0.09 -0.71 -0.43 0.00 -2.27 0.00 0.00 64.05 60.73 1t2s n THR 23 Cb 0.19 -0.66 -0.02 0.00 -2.10 0.00 0.00 70.33 67.74 1t2s n THR 23 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1t2s s THR 24 N -2.87 4.20 -0.97 4.28 -4.23 -1.15 -4.94 115.64 109.95 1t2s s THR 24 Ca -0.05 1.45 -0.01 0.00 -1.18 0.00 0.00 61.69 61.91 1t2s s THR 24 Cb 0.09 -3.94 0.31 0.00 1.34 0.00 0.00 72.50 70.30 1t2s s THR 24 CO 0.82 -0.13 1.50 0.59 -0.54 0.00 0.00 174.62 176.87 1t2s n ASN 25 N 6.66 6.37 -0.53 3.99 5.03 -1.26 -4.55 115.26 130.98 1t2s n ASN 25 Ca 0.14 -3.55 0.11 0.00 0.87 0.00 0.00 54.58 52.15 1t2s n ASN 25 Cb 0.45 -1.11 0.41 0.00 -1.02 0.00 0.00 39.78 38.50 1t2s n ASN 25 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 1t2s n LEU 26 N 0.59 1.59 0.00 3.41 4.77 -1.26 -4.35 117.00 121.75 1t2s n LEU 26 Ca 0.35 -0.64 -0.00 0.00 -0.03 0.00 0.00 56.01 55.69 1t2s n LEU 26 Cb 0.32 -0.08 -0.00 0.00 -2.33 0.00 0.00 43.42 41.32 1t2s n LEU 26 CO 0.58 0.32 0.50 -2.24 -1.33 0.00 0.00 177.39 175.22 1t2s h ASP 27 N 2.17 -0.01 0.69 -1.43 3.04 -1.94 -0.04 116.42 118.90 1t2s h ASP 27 Ca 0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 1t2s h ASP 27 Cb 0.47 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.77 1t2s h ASP 27 CO 0.00 -0.00 0.00 -1.22 -2.04 0.00 0.00 179.24 175.98 1t2s n TYR 28 N -2.41 0.77 0.32 4.15 4.01 -1.26 -2.03 117.16 120.71 1t2s n TYR 28 Ca -0.00 0.30 0.12 0.00 -0.16 0.00 0.00 57.90 58.17 1t2s n TYR 28 Cb 0.00 -0.99 0.20 0.00 -0.31 0.00 0.00 39.34 38.24 1t2s n TYR 28 CO 0.00 0.00 0.00 0.77 -0.46 0.00 0.00 176.86 177.17 1t2s h SER 29 N 0.00 0.00 -0.30 7.72 0.02 -1.68 -3.30 113.55 116.01 1t2s h SER 29 Ca 0.00 -0.02 0.06 0.00 -0.84 0.00 0.00 61.79 61.00 1t2s h SER 29 Cb 0.35 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.87 1t2s h SER 29 CO 0.00 0.01 0.21 0.03 -1.14 0.00 0.00 176.83 175.94 1t2s h ARG 30 N 0.00 0.13 0.00 3.45 3.08 -0.39 0.24 114.38 120.89 1t2s h ARG 30 Ca 0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1t2s h ARG 30 Cb 0.92 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.94 1t2s h ARG 30 CO 0.00 0.09 0.00 0.00 -1.07 0.00 0.00 179.97 178.99 1t2s h ARG 31 N 0.14 0.00 0.00 0.04 3.08 -1.77 0.84 114.38 116.70 1t2s h ARG 31 Ca 0.14 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.19 1t2s h ARG 31 Cb 0.37 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.42 1t2s h ARG 31 CO -0.02 0.00 -1.21 1.19 -1.07 0.00 0.00 179.97 178.86 1t2s n PHE 32 N -2.33 0.00 0.69 3.04 3.72 0.58 -3.94 117.46 119.22 1t2s n PHE 32 Ca 0.03 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.56 1t2s n PHE 32 Cb 0.29 -0.16 0.44 0.00 -0.94 0.00 0.00 39.48 39.11 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 -1.69 0.68 0.19 4.37 4.77 0.25 -3.73 117.00 121.83 1t2s n LEU 33 Ca 0.01 0.56 -0.14 0.00 -0.03 0.00 0.00 56.01 56.40 1t2s n LEU 33 Cb 0.35 -0.35 -0.07 0.00 -2.33 0.00 0.00 43.42 41.02 1t2s n LEU 33 CO 0.36 -0.15 0.70 -0.33 -1.33 0.00 0.00 177.39 176.64 1t2s h GLU 34 N 0.00 -0.53 0.00 3.23 5.08 -1.00 0.13 114.58 121.49 1t2s h GLU 34 Ca 0.00 0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 1t2s h GLU 34 Cb 0.70 0.12 -0.00 0.00 0.50 0.00 0.00 28.75 30.07 1t2s h GLU 34 CO 0.00 -0.35 -0.06 -1.35 -1.00 0.00 0.00 179.01 176.24 1t2s h PRO 35 N -0.55 0.00 -0.00 2.33 0.11 -1.80 0.78 132.00 132.86 1t2s h PRO 35 Ca -0.01 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.93 1t2s h PRO 35 Cb 0.50 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.59 1t2s h PRO 35 CO -0.03 0.06 -0.75 0.35 -0.21 0.00 0.00 178.00 177.42 1t2s h PHE 36 N 0.00 0.07 -0.29 0.65 3.57 -1.51 -3.20 116.94 116.23 1t2s h PHE 36 Ca -0.00 -0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.46 1t2s h PHE 36 Cb 0.13 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 38.86 1t2s h PHE 36 CO 0.00 0.78 0.00 1.28 -2.23 0.00 0.00 178.31 178.14 1t2s n LEU 37 N -3.67 2.86 -4.58 0.59 4.77 0.42 -4.93 117.00 112.45 1t2s n LEU 37 Ca -0.01 -1.59 -0.41 0.00 -0.03 0.00 0.00 56.01 53.96 1t2s n LEU 37 Cb 0.73 -0.19 -0.03 0.00 -2.33 0.00 0.00 43.42 41.60 1t2s n LEU 37 CO 0.44 0.65 1.57 -0.60 -1.33 0.00 0.00 177.39 178.12 1t2s s ARG 38 N -1.11 3.07 0.00 3.23 3.52 0.20 -3.23 118.95 124.63 1t2s s ARG 38 Ca 0.26 1.16 0.00 0.00 -0.13 0.00 0.00 55.73 57.02 1t2s s ARG 38 Cb 0.15 -4.27 0.00 0.00 -1.56 0.00 0.00 34.95 29.27 1t2s s ARG 38 CO 0.21 -2.18 0.00 0.41 -0.81 0.00 0.00 175.30 172.92 1t2s n GLY 39 N 5.52 0.77 3.64 8.12 0.00 0.33 -5.02 105.19 118.55 1t2s n GLY 39 Ca 0.23 -0.18 -0.24 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.00 3.00 -0.12 -0.61 -4.36 -1.08 -4.93 121.20 111.09 1t2s s ILE 40 Ca 0.00 -1.94 0.02 0.00 -0.26 0.00 0.00 60.65 58.47 1t2s s ILE 40 Cb 0.00 -2.80 -0.01 0.00 1.25 0.00 0.00 42.46 40.90 1t2s s ILE 40 CO 0.00 -0.28 -0.18 0.54 0.24 0.00 0.00 174.94 175.26 1t2s s ASN 41 N -3.70 3.57 -0.03 4.36 4.22 -1.26 0.21 114.94 122.31 1t2s s ASN 41 Ca 0.34 -0.45 0.04 0.00 -2.14 0.00 0.00 52.86 50.64 1t2s s ASN 41 Cb -0.03 -1.52 -0.00 0.00 1.28 0.00 0.00 41.25 40.97 1t2s s ASN 41 CO 0.20 0.14 -0.14 0.68 -2.04 0.00 0.00 177.10 175.94 1t2s s VAL 42 N 0.46 1.12 -0.38 3.54 -7.23 -0.33 -2.96 120.40 114.62 1t2s s VAL 42 Ca -0.12 -0.56 -0.24 0.00 -1.81 0.00 0.00 61.98 59.25 1t2s s VAL 42 Cb -0.17 -0.96 0.01 0.00 0.56 0.00 0.00 36.38 35.82 1t2s s VAL 42 CO 0.05 0.33 0.81 -0.69 -0.31 0.00 0.00 175.10 175.29 1t2s s VAL 43 N -0.02 4.68 -0.13 1.32 1.01 0.11 -0.28 120.40 127.09 1t2s s VAL 43 Ca -0.01 0.84 -0.29 0.00 0.00 0.00 0.00 61.98 62.52 1t2s s VAL 43 Cb -0.09 -4.26 -0.01 0.00 0.00 0.00 0.00 36.38 32.02 1t2s s VAL 43 CO 0.01 -0.52 1.08 -0.47 0.00 0.00 0.00 175.10 175.20 1t2s s TYR 44 N 3.22 3.34 -0.46 5.22 5.04 0.67 -1.82 117.35 132.57 1t2s s TYR 44 Ca 0.32 1.43 -0.13 0.00 -2.44 0.00 0.00 57.07 56.25 1t2s s TYR 44 Cb -0.13 -3.29 0.08 0.00 0.35 0.00 0.00 41.96 38.98 1t2s s TYR 44 CO 0.19 -0.65 0.35 0.99 -1.34 0.00 0.00 175.55 175.08 1t2s s THR 45 N 2.49 4.84 -0.05 4.34 2.01 0.04 -1.90 115.64 127.42 1t2s s THR 45 Ca 0.49 -1.22 -0.30 0.00 0.31 0.00 0.00 61.69 60.98 1t2s s THR 45 Cb -0.19 -3.93 -0.05 0.00 0.01 0.00 0.00 72.50 68.34 1t2s s THR 45 CO 0.15 -0.57 1.45 -2.84 -0.69 0.00 0.00 174.62 172.12 1t2s s PRO 46 N 1.55 4.24 0.89 4.92 0.02 -1.26 -4.87 135.00 140.49 1t2s s PRO 46 Ca 0.04 1.97 -0.12 0.00 0.02 0.00 0.00 61.00 62.90 1t2s s PRO 46 Cb -0.24 -3.73 0.08 0.00 0.02 0.00 0.00 34.50 30.62 1t2s s PRO 46 CO 0.05 -0.68 0.83 -0.35 -0.33 0.00 0.00 177.00 176.51 1t2s n PRO 47 N 6.15 -0.20 0.31 5.54 -0.04 -1.26 -4.71 135.00 140.78 1t2s n PRO 47 Ca 0.14 0.00 0.19 0.00 -0.04 0.00 0.00 63.50 63.80 1t2s n PRO 47 Cb 0.44 -2.14 1.00 0.00 -0.04 0.00 0.00 33.50 32.75 1t2s n PRO 47 CO 0.00 0.00 0.00 -0.56 -0.04 0.00 0.00 175.50 174.90 1t2s h GLN 48 N -1.44 0.00 0.00 0.54 3.07 -1.96 0.28 115.11 115.60 1t2s h GLN 48 Ca -0.44 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.30 1t2s h GLN 48 Cb 1.29 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.85 1t2s h GLN 48 CO 0.40 0.00 -0.08 -1.13 0.09 0.00 0.00 178.83 178.11 1t2s n SER 49 N -3.23 0.69 0.02 0.06 3.41 -1.26 -3.68 113.62 109.63 1t2s n SER 49 Ca -0.02 0.50 -0.20 0.00 -0.26 0.00 0.00 58.87 58.89 1t2s n SER 49 Cb 0.22 -0.63 -0.14 0.00 -0.26 0.00 0.00 64.21 63.40 1t2s n SER 49 CO 0.00 0.00 0.00 -0.26 -0.16 0.00 0.00 175.04 174.62 1t2s h PHE 50 N 0.00 0.49 -1.98 7.33 -1.00 -0.75 -3.48 116.94 117.55 1t2s h PHE 50 Ca 0.00 -0.36 -0.40 0.00 2.81 0.00 0.00 57.97 60.02 1t2s h PHE 50 Cb 0.70 -0.02 -0.08 0.00 3.61 0.00 0.00 35.95 40.16 1t2s h PHE 50 CO 0.00 1.66 -0.44 1.04 -1.61 0.00 0.00 178.31 178.96 1t2s n GLN 51 N -3.47 -1.48 -3.55 1.51 6.02 -1.18 -4.98 117.38 110.25 1t2s n GLN 51 Ca -0.28 1.06 -0.30 0.00 -0.01 0.00 0.00 57.00 57.47 1t2s n GLN 51 Cb 1.05 -5.53 -0.04 0.00 1.02 0.00 0.00 30.24 26.74 1t2s n GLN 51 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1t2s s SER 52 N -2.41 6.46 0.12 1.08 0.15 -1.26 -5.07 113.70 112.77 1t2s s SER 52 Ca 0.00 0.61 -0.30 0.00 0.70 0.00 0.00 55.95 56.96 1t2s s SER 52 Cb 0.00 -2.10 -0.06 0.00 -1.71 0.00 0.00 66.02 62.15 1t2s s SER 52 CO 0.00 -0.06 0.98 0.00 1.20 0.00 0.00 173.24 175.36 1t2s s ALA 53 N -1.86 3.26 0.15 5.45 0.00 -1.26 -4.56 121.76 122.95 1t2s s ALA 53 Ca 0.42 0.61 -0.34 0.00 0.00 0.00 0.00 51.96 52.65 1t2s s ALA 53 Cb -0.11 -3.29 -0.15 0.00 0.00 0.00 0.00 23.12 19.57 1t2s s ALA 53 CO 0.27 -0.06 1.48 -2.30 0.00 0.00 0.00 175.76 175.15 1t2s n PRO 54 N 2.77 1.84 -4.01 0.00 -0.02 -1.26 -4.81 135.00 129.50 1t2s n PRO 54 Ca 0.03 0.66 -0.16 0.00 -2.02 0.00 0.00 63.50 62.01 1t2s n PRO 54 Cb 0.49 -2.37 -0.15 0.00 -0.02 0.00 0.00 33.50 31.44 1t2s n PRO 54 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 1t2s s ARG 55 N 0.56 0.34 0.14 -0.52 3.52 -0.80 -4.93 118.95 117.26 1t2s s ARG 55 Ca 0.78 -0.03 -0.20 0.00 -0.13 0.00 0.00 55.73 56.15 1t2s s ARG 55 Cb -0.75 -0.41 -0.07 0.00 -1.56 0.00 0.00 34.95 32.15 1t2s s ARG 55 CO 0.42 -0.03 0.64 0.54 -0.81 0.00 0.00 175.30 176.06 1t2s s VAL 56 N 0.49 4.65 0.07 7.11 0.11 -1.26 -0.24 120.40 131.33 1t2s s VAL 56 Ca -0.05 1.26 0.04 0.00 -2.93 0.00 0.00 61.98 60.29 1t2s s VAL 56 Cb -0.08 -3.91 -0.03 0.00 -1.53 0.00 0.00 36.38 30.83 1t2s s VAL 56 CO -0.01 0.41 -0.10 -0.31 -3.33 0.00 0.00 175.10 171.76 1t2s s TYR 57 N -1.28 0.97 -0.22 1.54 2.02 0.62 -4.92 117.35 116.08 1t2s s TYR 57 Ca 0.35 -0.56 -0.17 0.00 -0.37 0.00 0.00 57.07 56.32 1t2s s TYR 57 Cb -0.19 -0.55 -0.03 0.00 -0.40 0.00 0.00 41.96 40.79 1t2s s TYR 57 CO 0.21 -0.02 0.48 0.50 -1.57 0.00 0.00 175.55 175.15 1t2s s ARG 58 N -2.15 4.14 -0.32 -0.62 6.06 -1.26 -1.19 118.95 123.62 1t2s s ARG 58 Ca -0.01 0.32 -0.25 0.00 -2.50 0.00 0.00 55.73 53.28 1t2s s ARG 58 Cb -0.07 -3.59 0.01 0.00 0.06 0.00 0.00 34.95 31.36 1t2s s ARG 58 CO 0.01 -0.19 0.88 0.08 -2.50 0.00 0.00 175.30 173.57 1t2s s VAL 59 N 1.77 4.70 0.09 7.11 1.01 0.13 -3.61 120.40 131.60 1t2s s VAL 59 Ca 0.21 1.32 0.05 0.00 0.00 0.00 0.00 61.98 63.56 1t2s s VAL 59 Cb -0.15 -4.24 -0.23 0.00 0.00 0.00 0.00 36.38 31.76 1t2s s VAL 59 CO 0.09 -0.34 1.17 0.78 0.00 0.00 0.00 175.10 176.80 1t2s h ASN 60 N 8.16 0.10 0.00 3.32 4.21 -1.77 0.10 115.58 129.70 1t2s h ASN 60 Ca -0.23 -0.12 0.00 0.00 1.21 0.00 0.00 56.30 57.16 1t2s h ASN 60 Cb 1.08 -0.03 0.00 0.00 -1.12 0.00 0.00 38.32 38.25 1t2s h ASN 60 CO 0.93 1.09 0.00 0.61 -1.29 0.00 0.00 177.43 178.78 1t2s n GLY 61 N 1.42 -0.56 3.43 2.83 0.00 -1.09 -4.19 105.19 107.03 1t2s n GLY 61 Ca -0.04 -0.37 -0.22 0.00 0.00 0.00 0.00 46.02 45.39 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 2.57 -0.01 0.99 1.43 -1.26 -0.56 118.68 121.84 1t2s s LEU 62 Ca 0.00 -1.11 -0.16 0.00 -1.03 0.00 0.00 54.13 51.84 1t2s s LEU 62 Cb 0.00 -0.82 -0.06 0.00 0.03 0.00 0.00 46.19 45.35 1t2s s LEU 62 CO 0.00 -0.18 0.43 -0.55 0.23 0.00 0.00 176.35 176.28 1t2s s SER 63 N -3.45 6.81 0.00 2.29 0.15 0.36 -4.65 113.70 115.21 1t2s s SER 63 Ca 0.28 0.97 0.16 0.00 0.70 0.00 0.00 55.95 58.06 1t2s s SER 63 Cb 0.00 -2.26 0.81 0.00 -1.71 0.00 0.00 66.02 62.86 1t2s s SER 63 CO 0.12 0.28 1.47 0.54 1.20 0.00 0.00 173.24 176.84 1t2s n ARG 64 N 2.07 0.22 -5.07 5.44 5.12 -1.26 -4.04 116.66 119.15 1t2s n ARG 64 Ca -0.13 0.14 -0.32 0.00 -1.93 0.00 0.00 57.85 55.61 1t2s n ARG 64 Cb 0.52 -1.50 -0.17 0.00 -1.16 0.00 0.00 32.46 30.16 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 -2.58 2.25 0.87 7.54 0.00 -1.26 -5.04 121.76 123.54 1t2s s ALA 65 Ca 0.15 -0.98 -0.12 0.00 0.00 0.00 0.00 51.96 51.01 1t2s s ALA 65 Cb 0.11 -0.90 0.09 0.00 0.00 0.00 0.00 23.12 22.42 1t2s s ALA 65 CO 0.25 0.24 0.98 -2.30 0.00 0.00 0.00 175.76 174.92 1t2s n PRO 66 N 3.60 -0.13 0.22 0.00 -0.02 -1.26 -3.10 135.00 134.31 1t2s n PRO 66 Ca -0.19 0.03 0.15 0.00 -2.02 0.00 0.00 63.50 61.47 1t2s n PRO 66 Cb 0.53 -2.26 0.71 0.00 -0.02 0.00 0.00 33.50 32.47 1t2s n PRO 66 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1t2s h ALA 67 N -1.35 1.00 -0.00 3.55 0.00 -1.07 0.81 119.26 122.19 1t2s h ALA 67 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1t2s h ALA 67 Cb 1.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1t2s h ALA 67 CO 0.42 0.00 -0.22 -1.13 0.00 0.00 0.00 179.25 178.32 1t2s n SER 68 N -2.65 0.49 -0.08 0.00 3.41 -0.68 -1.22 113.62 112.89 1t2s n SER 68 Ca -0.00 -0.36 -0.13 0.00 -0.26 0.00 0.00 58.87 58.12 1t2s n SER 68 Cb 0.18 -0.03 -0.07 0.00 -0.26 0.00 0.00 64.21 64.04 1t2s n SER 68 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1t2s n SER 69 N -1.14 2.12 -4.70 4.04 2.88 0.19 -4.94 113.62 112.07 1t2s n SER 69 Ca 0.10 0.04 -0.42 0.00 -1.33 0.00 0.00 58.87 57.26 1t2s n SER 69 Cb 0.31 -0.34 -0.03 0.00 -0.75 0.00 0.00 64.21 63.40 1t2s n SER 69 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 1t2s s GLU 70 N -2.30 4.17 0.15 -1.46 0.41 -0.67 -4.93 118.70 114.06 1t2s s GLU 70 Ca -0.21 2.48 0.11 0.00 -0.41 0.00 0.00 54.97 56.93 1t2s s GLU 70 Cb 0.07 -3.45 -0.04 0.00 -1.78 0.00 0.00 34.13 28.92 1t2s s GLU 70 CO 0.32 -0.76 -0.25 0.95 -0.49 0.00 0.00 175.26 175.04 1t2s s THR 71 N 2.24 2.19 0.03 3.63 -4.23 -1.26 -1.54 115.64 116.69 1t2s s THR 71 Ca 0.76 -1.83 -0.02 0.00 -1.18 0.00 0.00 61.69 59.42 1t2s s THR 71 Cb -0.44 -1.97 -0.02 0.00 1.34 0.00 0.00 72.50 71.41 1t2s s THR 71 CO 0.34 -0.02 0.02 0.72 -0.54 0.00 0.00 174.62 175.14 1t2s s PHE 72 N -1.33 0.26 -0.17 3.99 -0.71 -0.06 -4.94 117.98 115.01 1t2s s PHE 72 Ca 0.15 -0.55 -0.21 0.00 -1.04 0.00 0.00 56.93 55.28 1t2s s PHE 72 Cb -0.09 -0.19 -0.03 0.00 -1.21 0.00 0.00 43.02 41.50 1t2s s PHE 72 CO 0.07 -0.27 0.61 -2.00 -1.34 0.00 0.00 175.22 172.29 1t2s s GLU 73 N -2.07 4.25 -0.24 1.99 2.12 -1.26 -1.04 118.70 122.46 1t2s s GLU 73 Ca -0.10 0.61 -0.01 0.00 0.36 0.00 0.00 54.97 55.84 1t2s s GLU 73 Cb -0.05 -3.55 0.07 0.00 0.26 0.00 0.00 34.13 30.86 1t2s s GLU 73 CO -0.03 -0.15 0.00 -1.58 -0.54 0.00 0.00 175.26 172.96 1t2s s HIS 74 N 1.61 1.89 -1.36 5.30 2.46 0.11 -4.78 115.29 120.52 1t2s s HIS 74 Ca 0.29 -1.50 -0.08 0.00 0.47 0.00 0.00 55.06 54.24 1t2s s HIS 74 Cb -0.16 -1.47 0.01 0.00 -0.13 0.00 0.00 32.58 30.83 1t2s s HIS 74 CO 0.11 -0.74 1.05 -0.25 -2.47 0.00 0.00 174.74 172.44 1t2s n ASP 75 N 4.81 -6.25 0.00 9.88 8.00 -1.26 -2.21 116.55 129.51 1t2s n ASP 75 Ca -0.09 -0.48 0.00 0.00 0.71 0.00 0.00 54.79 54.93 1t2s n ASP 75 Cb 0.45 -4.91 0.00 0.00 -0.02 0.00 0.00 41.12 36.63 1t2s n ASP 75 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1t2s n GLY 76 N -1.89 1.88 3.56 0.44 0.00 -1.26 -5.02 105.19 102.89 1t2s n GLY 76 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.45 3.80 -0.35 1.61 -0.14 -0.94 -5.05 119.74 118.23 1t2s s LYS 77 Ca 0.00 -0.44 -0.24 0.00 -1.36 0.00 0.00 55.97 53.93 1t2s s LYS 77 Cb 0.00 -3.06 0.01 0.00 -1.68 0.00 0.00 37.83 33.10 1t2s s LYS 77 CO 0.00 0.24 0.83 0.15 -0.76 0.00 0.00 175.35 175.81 1t2s s LYS 78 N 0.41 3.85 0.09 1.68 1.02 -1.26 0.04 119.74 125.56 1t2s s LYS 78 Ca -0.01 0.50 0.08 0.00 0.02 0.00 0.00 55.97 56.56 1t2s s LYS 78 Cb -0.13 -3.78 -0.04 0.00 -0.52 0.00 0.00 37.83 33.36 1t2s s LYS 78 CO 0.02 -0.82 -0.18 0.14 -0.92 0.00 0.00 175.35 173.58 1t2s s VAL 79 N 3.17 2.83 0.66 3.17 -7.23 -0.21 -4.87 120.40 117.93 1t2s s VAL 79 Ca 0.34 -1.37 -0.11 0.00 -1.81 0.00 0.00 61.98 59.03 1t2s s VAL 79 Cb -0.13 -2.26 -0.01 0.00 0.56 0.00 0.00 36.38 34.54 1t2s s VAL 79 CO 0.16 0.20 1.06 0.42 -0.31 0.00 0.00 175.10 176.62 1t2s s THR 80 N -1.06 4.21 0.20 5.32 -4.23 -1.26 -0.88 115.64 117.95 1t2s s THR 80 Ca 0.17 0.72 -0.10 0.00 -1.18 0.00 0.00 61.69 61.30 1t2s s THR 80 Cb -0.11 -3.66 0.13 0.00 1.34 0.00 0.00 72.50 70.21 1t2s s THR 80 CO 0.08 -0.94 1.79 0.40 -0.54 0.00 0.00 174.62 175.41 1t2s h ILE 81 N -0.50 0.91 -0.40 2.99 1.08 -0.96 -0.68 117.51 119.96 1t2s h ILE 81 Ca -0.44 -0.20 -0.05 0.00 -0.39 0.00 0.00 64.86 63.78 1t2s h ILE 81 Cb 1.21 0.28 -0.02 0.00 -3.07 0.00 0.00 36.82 35.22 1t2s h ILE 81 CO 0.62 0.11 0.04 0.00 -0.69 0.00 0.00 178.15 178.22 1t2s h ALA 82 N 1.35 1.33 -0.44 1.87 0.00 -1.46 -2.63 119.26 119.29 1t2s h ALA 82 Ca 0.29 -0.20 -0.12 0.00 0.00 0.00 0.00 54.91 54.88 1t2s h ALA 82 Cb 0.23 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1t2s h ALA 82 CO -0.21 0.47 -0.20 1.03 0.00 0.00 0.00 179.25 180.33 1t2s h SER 83 N 0.59 0.93 -0.41 0.00 0.87 -1.50 -0.79 113.55 113.25 1t2s h SER 83 Ca 0.13 -0.40 -0.02 0.00 -1.23 0.00 0.00 61.79 60.27 1t2s h SER 83 Cb 0.32 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 62.00 1t2s h SER 83 CO 0.01 1.12 0.17 0.22 -0.53 0.00 0.00 176.83 177.82 1t2s h TYR 84 N 0.74 0.61 -0.46 2.24 3.20 -0.90 0.17 116.97 122.56 1t2s h TYR 84 Ca 0.10 -0.04 -0.07 0.00 3.14 0.00 0.00 58.73 61.86 1t2s h TYR 84 Cb 0.77 -0.18 -0.02 0.00 1.54 0.00 0.00 36.73 38.84 1t2s h TYR 84 CO 0.06 0.53 0.01 0.74 -1.64 0.00 0.00 178.16 177.86 1t2s h PHE 85 N 0.51 0.88 -0.74 -3.82 -1.00 -1.45 -2.25 116.94 109.07 1t2s h PHE 85 Ca 0.14 -0.15 -0.05 0.00 2.81 0.00 0.00 57.97 60.72 1t2s h PHE 85 Cb 0.17 -0.23 -0.03 0.00 3.61 0.00 0.00 35.95 39.47 1t2s h PHE 85 CO -0.00 0.84 0.25 1.25 -1.61 0.00 0.00 178.31 179.04 1t2s h HIS 86 N 0.66 1.16 0.00 -0.55 2.76 -0.83 -1.23 115.15 117.12 1t2s h HIS 86 Ca 0.13 -0.10 -0.04 0.00 -2.20 0.00 0.00 60.37 58.16 1t2s h HIS 86 Cb 0.48 -0.34 -0.01 0.00 1.55 0.00 0.00 27.41 29.09 1t2s h HIS 86 CO 0.04 0.91 -0.18 1.03 -1.30 0.00 0.00 177.93 178.42 1t2s h SER 87 N 1.09 0.00 -0.45 3.26 0.87 -0.54 -2.04 113.55 115.74 1t2s h SER 87 Ca 0.24 0.00 -0.19 0.00 -1.23 0.00 0.00 61.79 60.61 1t2s h SER 87 Cb 0.27 0.00 -0.11 0.00 -0.44 0.00 0.00 62.40 62.12 1t2s h SER 87 CO -0.01 0.18 0.24 0.54 -0.53 0.00 0.00 176.83 177.25 1t2s n ARG 88 N -3.66 2.02 -2.47 2.24 1.74 -0.54 -4.85 116.66 111.14 1t2s n ARG 88 Ca -0.01 -1.56 -0.18 0.00 -0.77 0.00 0.00 57.85 55.33 1t2s n ARG 88 Cb 0.30 -1.68 0.00 0.00 -1.02 0.00 0.00 32.46 30.06 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 -0.16 -5.17 -3.75 0.55 5.03 -0.77 -4.74 115.26 106.25 1t2s n ASN 89 Ca 0.26 -0.07 -0.30 0.00 0.87 0.00 0.00 54.58 55.34 1t2s n ASN 89 Cb 1.00 -4.19 -0.15 0.00 -1.02 0.00 0.00 39.78 35.42 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 -2.92 1.92 -0.37 3.10 5.04 -0.74 -4.89 117.35 118.49 1t2s s TYR 90 Ca 0.06 -1.94 -0.29 0.00 -2.44 0.00 0.00 57.07 52.46 1t2s s TYR 90 Cb -0.03 -1.84 0.01 0.00 0.35 0.00 0.00 41.96 40.45 1t2s s TYR 90 CO 0.08 -0.87 1.34 -1.25 -1.34 0.00 0.00 175.55 173.51 1t2s s PRO 91 N 1.38 3.73 0.07 4.97 0.04 -1.26 -2.71 135.00 141.22 1t2s s PRO 91 Ca 0.11 1.04 -0.31 0.00 0.04 0.00 0.00 61.00 61.88 1t2s s PRO 91 Cb -0.18 -3.95 -0.08 0.00 0.04 0.00 0.00 34.50 30.33 1t2s s PRO 91 CO -0.20 -1.36 1.55 -0.51 0.04 0.00 0.00 177.00 176.52 1t2s s LEU 92 N 4.90 4.35 0.35 -3.56 1.43 -1.26 -4.89 118.68 120.00 1t2s s LEU 92 Ca 0.58 2.39 0.23 0.00 -1.03 0.00 0.00 54.13 56.30 1t2s s LEU 92 Cb -0.14 -3.57 0.24 0.00 0.03 0.00 0.00 46.19 42.75 1t2s s LEU 92 CO 0.28 -0.81 1.42 0.11 0.23 0.00 0.00 176.35 177.58 1t2s h LYS 93 N 7.85 0.00 -2.01 1.70 1.57 -2.02 -3.35 116.57 120.31 1t2s h LYS 93 Ca -0.41 0.00 -0.51 0.00 -1.87 0.00 0.00 60.65 57.86 1t2s h LYS 93 Cb 1.20 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 33.11 1t2s h LYS 93 CO 0.91 0.00 -1.15 1.19 -0.57 0.00 0.00 179.45 179.83 1t2s n PHE 94 N -2.91 0.18 0.67 -1.35 3.01 -1.26 -4.95 117.46 110.84 1t2s n PHE 94 Ca 0.03 -3.76 0.08 0.00 1.01 0.00 0.00 57.45 54.81 1t2s n PHE 94 Cb 0.53 -0.40 0.39 0.00 -0.01 0.00 0.00 39.48 39.99 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 0.59 0.08 -0.02 -1.08 -0.04 -1.26 -2.43 135.00 130.84 1t2s n PRO 95 Ca 0.24 0.18 0.10 0.00 -0.04 0.00 0.00 63.50 63.98 1t2s n PRO 95 Cb 0.61 -1.50 0.53 0.00 -0.04 0.00 0.00 33.50 33.11 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 -1.43 1.22 -3.04 0.54 -0.06 -1.26 -1.68 117.38 111.66 1t2s n GLN 96 Ca 0.05 -0.33 -0.33 0.00 -2.00 0.00 0.00 57.00 54.39 1t2s n GLN 96 Cb 0.18 -1.34 -0.06 0.00 -4.06 0.00 0.00 30.24 24.96 1t2s n GLN 96 CO 0.00 0.00 0.00 -0.51 -0.20 0.00 0.00 177.06 176.35 1t2s s LEU 97 N -1.63 4.10 0.37 1.69 1.43 -1.02 -4.71 118.68 118.91 1t2s s LEU 97 Ca 0.31 1.42 -0.28 0.00 -1.03 0.00 0.00 54.13 54.55 1t2s s LEU 97 Cb 0.15 -4.10 -0.11 0.00 0.03 0.00 0.00 46.19 42.17 1t2s s LEU 97 CO 0.24 -0.19 1.44 -1.00 0.23 0.00 0.00 176.35 177.07 1t2s s HIS 98 N -1.93 2.70 0.47 0.29 3.76 -1.26 -1.17 115.29 118.15 1t2s s HIS 98 Ca 0.54 1.24 -0.22 0.00 -0.15 0.00 0.00 55.06 56.47 1t2s s HIS 98 Cb -0.11 -3.93 -0.07 0.00 1.11 0.00 0.00 32.58 29.58 1t2s s HIS 98 CO 0.17 -2.69 1.13 0.00 -0.85 0.00 0.00 174.74 172.51 1t2s s LEU 100 N -3.20 4.20 -0.83 0.00 2.96 -0.01 -0.49 118.68 121.32 1t2s s LEU 100 Ca 0.65 1.38 -0.18 0.00 -0.22 0.00 0.00 54.13 55.76 1t2s s LEU 100 Cb -0.26 -3.43 0.14 0.00 0.50 0.00 0.00 46.19 43.14 1t2s s LEU 100 CO 0.31 -0.45 0.97 0.21 -1.32 0.00 0.00 176.35 176.07 1t2s s ASN 101 N 1.13 6.53 0.04 3.68 2.47 0.28 -2.33 114.94 126.74 1t2s s ASN 101 Ca 0.44 -1.95 0.00 0.00 0.42 0.00 0.00 52.86 51.77 1t2s s ASN 101 Cb -0.17 -2.35 -0.00 0.00 -1.45 0.00 0.00 41.25 37.28 1t2s s ASN 101 CO 0.14 -1.02 0.01 1.33 -3.72 0.00 0.00 177.10 173.84 1t2s n VAL 102 N 5.27 0.00 0.00 -5.21 0.24 -0.97 -2.55 118.33 115.11 1t2s n VAL 102 Ca 0.14 -0.22 0.00 0.00 -2.04 0.00 0.00 64.34 62.22 1t2s n VAL 102 Cb 0.47 0.07 0.00 0.00 -1.47 0.00 0.00 33.84 32.91 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 2.83 1.51 3.50 7.63 0.00 -1.24 -1.60 105.19 117.82 1t2s n GLY 103 Ca -0.01 -0.40 -0.09 0.00 0.00 0.00 0.00 46.02 45.51 1t2s n GLY 103 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1t2s s SER 104 N -4.00 -0.16 0.32 1.61 0.15 -0.89 -4.71 113.70 106.01 1t2s s SER 104 Ca 0.00 -0.64 0.17 0.00 0.70 0.00 0.00 55.95 56.17 1t2s s SER 104 Cb 0.00 0.55 0.24 0.00 -1.71 0.00 0.00 66.02 65.10 1t2s s SER 104 CO 0.00 -1.04 1.53 -1.28 1.20 0.00 0.00 173.24 173.64 1t2s h SER 105 N 2.28 0.00 1.31 5.45 0.87 -1.99 -2.11 113.55 119.36 1t2s h SER 105 Ca -0.29 0.00 -0.11 0.00 -1.23 0.00 0.00 61.79 60.16 1t2s h SER 105 Cb 1.25 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.19 1t2s h SER 105 CO 0.39 0.43 -0.71 0.16 -0.53 0.00 0.00 176.83 176.57 1t2s h ILE 106 N 0.00 0.73 -2.52 2.23 3.07 -1.98 -3.39 117.51 115.66 1t2s h ILE 106 Ca -0.00 -2.10 -0.58 0.00 1.55 0.00 0.00 64.86 63.72 1t2s h ILE 106 Cb 1.24 2.29 -0.39 0.00 -0.27 0.00 0.00 36.82 39.70 1t2s h ILE 106 CO 0.06 0.42 -0.89 -0.75 -1.05 0.00 0.00 178.15 175.93 1t2s s LYS 107 N -2.97 0.66 0.01 0.16 2.20 -1.19 -5.12 119.74 113.48 1t2s s LYS 107 Ca 0.02 -1.57 -0.30 0.00 -0.36 0.00 0.00 55.97 53.76 1t2s s LYS 107 Cb 0.08 -1.33 -0.03 0.00 -1.51 0.00 0.00 37.83 35.03 1t2s s LYS 107 CO 0.76 -1.26 1.03 -1.54 -0.36 0.00 0.00 175.35 173.98 1t2s s SER 108 N 0.76 7.30 -0.11 1.43 1.04 -0.80 -2.10 113.70 121.22 1t2s s SER 108 Ca 0.23 1.73 0.02 0.00 0.48 0.00 0.00 55.95 58.41 1t2s s SER 108 Cb -0.15 -2.57 -0.01 0.00 0.10 0.00 0.00 66.02 63.39 1t2s s SER 108 CO -0.05 -0.32 -0.16 0.27 0.98 0.00 0.00 173.24 173.95 1t2s s ILE 109 N 1.08 2.78 -0.27 -1.02 -4.36 -0.63 -4.96 121.20 113.81 1t2s s ILE 109 Ca 0.53 -0.77 -0.11 0.00 -0.26 0.00 0.00 60.65 60.04 1t2s s ILE 109 Cb -0.23 -2.13 -0.05 0.00 1.25 0.00 0.00 42.46 41.30 1t2s s ILE 109 CO 0.28 0.54 0.18 -0.76 0.24 0.00 0.00 174.94 175.42 1t2s s LEU 110 N 0.19 4.02 0.06 0.37 1.43 -1.26 -2.30 118.68 121.19 1t2s s LEU 110 Ca -0.10 0.00 0.05 0.00 -1.03 0.00 0.00 54.13 53.05 1t2s s LEU 110 Cb -0.16 -2.11 -0.03 0.00 0.03 0.00 0.00 46.19 43.93 1t2s s LEU 110 CO 0.06 -0.03 -0.13 -0.76 0.23 0.00 0.00 176.35 175.71 1t2s s LEU 111 N 1.64 2.24 -0.07 1.79 1.43 -0.98 -4.86 118.68 119.86 1t2s s LEU 111 Ca 0.07 -0.55 -0.29 0.00 -1.03 0.00 0.00 54.13 52.33 1t2s s LEU 111 Cb -0.16 -0.50 -0.07 0.00 0.03 0.00 0.00 46.19 45.50 1t2s s LEU 111 CO 0.10 -0.05 1.93 -2.84 0.23 0.00 0.00 176.35 175.71 1t2s s PRO 112 N -1.50 3.88 0.64 1.29 0.02 -1.26 -0.83 135.00 137.25 1t2s s PRO 112 Ca -0.02 2.30 0.35 0.00 0.02 0.00 0.00 61.00 63.66 1t2s s PRO 112 Cb -0.09 -4.17 1.96 0.00 0.02 0.00 0.00 34.50 32.22 1t2s s PRO 112 CO 0.02 -1.23 2.16 0.97 -0.33 0.00 0.00 177.00 178.58 1t2s h ILE 113 N 6.02 0.15 -0.57 2.83 2.10 -1.92 0.18 117.51 126.30 1t2s h ILE 113 Ca -0.44 0.00 0.05 0.00 1.08 0.00 0.00 64.86 65.55 1t2s h ILE 113 Cb 1.22 0.86 -0.03 0.00 -1.09 0.00 0.00 36.82 37.77 1t2s h ILE 113 CO 0.95 0.00 0.38 -0.08 -1.08 0.00 0.00 178.15 178.32 1t2s h GLU 114 N 0.00 0.56 -0.61 2.19 4.81 -1.96 -2.59 114.58 116.98 1t2s h GLU 114 Ca 0.02 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1t2s h GLU 114 Cb 0.34 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.59 1t2s h GLU 114 CO -0.00 0.37 0.00 1.28 -0.73 0.00 0.00 179.01 179.93 1t2s n LEU 115 N -4.47 3.85 -4.57 1.64 4.77 0.63 -4.78 117.00 114.06 1t2s n LEU 115 Ca 0.08 -2.11 -0.34 0.00 -0.03 0.00 0.00 56.01 53.61 1t2s n LEU 115 Cb 0.21 -0.44 -0.11 0.00 -2.33 0.00 0.00 43.42 40.74 1t2s n LEU 115 CO 0.34 0.89 -0.36 0.00 -1.33 0.00 0.00 177.39 176.93 1t2s s SER 117 N -0.41 1.52 0.19 0.00 0.15 -0.75 -0.40 113.70 114.00 1t2s s SER 117 Ca 0.06 -0.24 -0.30 0.00 0.70 0.00 0.00 55.95 56.17 1t2s s SER 117 Cb -0.12 -0.71 -0.08 0.00 -1.71 0.00 0.00 66.02 63.40 1t2s s SER 117 CO 0.02 0.00 1.20 -0.63 1.20 0.00 0.00 173.24 175.03 1t2s s ILE 118 N 0.78 3.53 -0.23 6.45 1.01 0.15 0.04 121.20 132.93 1t2s s ILE 118 Ca -0.13 1.30 -0.14 0.00 0.00 0.00 0.00 60.65 61.68 1t2s s ILE 118 Cb -0.15 -3.83 -0.04 0.00 0.01 0.00 0.00 42.46 38.44 1t2s s ILE 118 CO 0.02 0.22 0.33 -0.70 0.00 0.00 0.00 174.94 174.80 1t2s s GLU 119 N -0.33 4.11 0.17 2.79 2.12 -1.15 -0.56 118.70 125.84 1t2s s GLU 119 Ca 0.52 0.04 0.09 0.00 0.36 0.00 0.00 54.97 55.98 1t2s s GLU 119 Cb -0.33 -3.56 -0.08 0.00 0.26 0.00 0.00 34.13 30.42 1t2s s GLU 119 CO 0.37 -0.06 1.36 0.93 -0.54 0.00 0.00 175.26 177.32 1t2s h GLU 120 N 7.57 0.00 -0.39 4.30 4.39 -1.93 -3.12 114.58 125.39 1t2s h GLU 120 Ca -0.36 0.00 0.08 0.00 0.34 0.00 0.00 59.36 59.43 1t2s h GLU 120 Cb 1.16 0.00 -0.09 0.00 -0.10 0.00 0.00 28.75 29.73 1t2s h GLU 120 CO 0.68 0.87 -0.23 0.78 -1.16 0.00 0.00 179.01 179.95 1t2s h GLY 121 N 2.88 -0.00 1.37 -3.84 0.00 -1.92 -2.37 103.07 99.19 1t2s h GLY 121 Ca -0.01 0.30 -0.13 0.00 0.00 0.00 0.00 47.33 47.49 1t2s h GLY 121 CO 0.11 -0.20 -1.04 1.46 0.00 0.00 0.00 176.54 176.87 1t2s h GLN 122 N -0.17 0.00 0.00 4.80 4.20 -1.98 -3.55 115.11 118.41 1t2s h GLN 122 Ca 0.19 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.90 1t2s h GLN 122 Cb 0.46 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.24 1t2s h GLN 122 CO -0.49 0.35 0.00 0.00 -0.67 0.00 0.00 178.83 178.02