#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t2s n ALA 2 N 0.00 -3.36 -1.31 4.61 0.00 -1.26 -4.81 120.51 114.38 1t2s n ALA 2 Ca 0.00 0.60 -0.39 0.00 0.00 0.00 0.00 53.44 53.65 1t2s n ALA 2 Cb 0.00 -1.49 -0.03 0.00 0.00 0.00 0.00 19.45 17.93 1t2s n ALA 2 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 1t2s n MET 3 N 0.44 3.70 -2.64 0.00 0.00 -1.26 -4.88 117.12 112.49 1t2s n MET 3 Ca 0.02 -2.20 -0.43 0.00 -0.00 0.00 0.00 57.70 55.10 1t2s n MET 3 Cb 0.09 -2.79 -0.02 0.00 0.00 0.00 0.00 33.22 30.49 1t2s n MET 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1t2s s ALA 4 N 2.15 3.14 -0.32 -5.12 0.00 -1.26 -2.88 121.76 117.47 1t2s s ALA 4 Ca 0.70 -0.59 -0.07 0.00 0.00 0.00 0.00 51.96 51.99 1t2s s ALA 4 Cb 0.18 -3.87 0.02 0.00 0.00 0.00 0.00 23.12 19.45 1t2s s ALA 4 CO -0.06 -2.29 0.11 -1.64 0.00 0.00 0.00 175.76 171.88 1t2s s MET 5 N 4.40 2.95 0.30 0.00 -1.94 0.20 -4.79 119.30 120.42 1t2s s MET 5 Ca 0.45 -0.96 -0.27 0.00 -1.71 0.00 0.00 55.69 53.19 1t2s s MET 5 Cb -0.08 -3.46 -0.14 0.00 2.01 0.00 0.00 34.83 33.17 1t2s s MET 5 CO 0.30 -0.53 0.96 -2.30 -0.01 0.00 0.00 175.02 173.43 1t2s n PRO 6 N 4.88 1.24 0.18 2.03 -0.02 -1.26 0.24 135.00 142.29 1t2s n PRO 6 Ca -0.14 0.44 0.06 0.00 -2.02 0.00 0.00 63.50 61.84 1t2s n PRO 6 Cb 0.47 -1.79 0.55 0.00 -0.02 0.00 0.00 33.50 32.70 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 1.84 0.16 0.14 -0.52 2.86 -0.61 0.31 114.93 119.11 1t2s h MET 7 Ca -0.39 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.23 1t2s h MET 7 Cb 1.35 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.98 1t2s h MET 7 CO 0.60 0.14 -0.07 0.82 1.06 0.00 0.00 176.91 179.46 1t2s h ILE 8 N 0.16 0.94 -0.86 -1.22 1.08 -1.81 -0.04 117.51 115.77 1t2s h ILE 8 Ca 0.04 -0.34 0.11 0.00 -0.39 0.00 0.00 64.86 64.28 1t2s h ILE 8 Cb 0.05 1.16 -0.08 0.00 -3.07 0.00 0.00 36.82 34.88 1t2s h ILE 8 CO -0.00 0.08 0.50 -0.08 -0.69 0.00 0.00 178.15 177.96 1t2s h GLU 9 N -0.34 0.79 -0.14 2.37 4.57 -1.40 0.12 114.58 120.55 1t2s h GLU 9 Ca -0.02 -0.05 -0.00 0.00 -1.18 0.00 0.00 59.36 58.11 1t2s h GLU 9 Cb 0.27 -0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 28.68 1t2s h GLU 9 CO 0.03 0.52 0.07 -0.92 -1.18 0.00 0.00 179.01 177.53 1t2s h TYR 10 N 0.81 0.19 -0.61 0.92 5.03 -0.26 -0.38 116.97 122.67 1t2s h TYR 10 Ca 0.43 -0.01 -0.05 0.00 2.58 0.00 0.00 58.73 61.68 1t2s h TYR 10 Cb 0.42 -0.06 -0.03 0.00 1.55 0.00 0.00 36.73 38.62 1t2s h TYR 10 CO -0.05 0.22 0.19 -0.07 -1.32 0.00 0.00 178.16 177.12 1t2s h LEU 11 N 0.11 0.89 0.33 2.82 3.38 -0.26 0.37 115.31 122.97 1t2s h LEU 11 Ca 0.05 -0.21 -0.02 0.00 0.09 0.00 0.00 57.88 57.79 1t2s h LEU 11 Cb 0.09 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.61 1t2s h LEU 11 CO -0.01 0.87 -0.16 -0.33 0.09 0.00 0.00 178.44 178.90 1t2s h GLU 12 N 0.87 -0.43 0.01 1.13 5.08 -0.59 0.34 114.58 120.99 1t2s h GLU 12 Ca 0.20 0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.58 1t2s h GLU 12 Cb 0.30 0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.65 1t2s h GLU 12 CO -0.01 -0.24 -0.00 0.00 -1.00 0.00 0.00 179.01 177.76 1t2s h ARG 13 N -0.52 -0.01 0.00 2.33 3.08 -1.02 0.39 114.38 118.64 1t2s h ARG 13 Ca -0.05 0.00 -0.35 0.00 0.07 0.00 0.00 59.98 59.65 1t2s h ARG 13 Cb 0.39 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.39 1t2s h ARG 13 CO 0.07 0.71 -1.94 1.19 -1.07 0.00 0.00 179.97 178.94 1t2s n PHE 14 N -4.74 0.50 -0.02 3.04 3.72 0.11 -3.78 117.46 116.30 1t2s n PHE 14 Ca -0.09 0.21 -0.12 0.00 -0.05 0.00 0.00 57.45 57.40 1t2s n PHE 14 Cb 0.36 -1.05 -0.10 0.00 -0.94 0.00 0.00 39.48 37.75 1t2s n PHE 14 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 1t2s h SER 15 N -0.96 -0.05 0.00 4.37 0.02 -1.31 -3.38 113.55 112.25 1t2s h SER 15 Ca -0.53 -0.60 -0.06 0.00 -0.84 0.00 0.00 61.79 59.76 1t2s h SER 15 Cb 1.49 0.01 -0.01 0.00 0.14 0.00 0.00 62.40 64.03 1t2s h SER 15 CO -0.31 0.62 -1.96 0.18 -1.14 0.00 0.00 176.83 174.21 1t2s n LEU 16 N -4.79 0.00 -0.02 5.07 4.77 0.12 -4.96 117.00 117.18 1t2s n LEU 16 Ca -0.09 0.00 -0.00 0.00 -0.03 0.00 0.00 56.01 55.89 1t2s n LEU 16 Cb 0.32 0.08 -0.00 0.00 -2.33 0.00 0.00 43.42 41.48 1t2s n LEU 16 CO 0.31 0.08 -0.00 0.29 -1.33 0.00 0.00 177.39 176.73 1t2s n LYS 17 N -2.27 -1.15 -3.86 3.23 4.76 -0.52 -4.95 118.16 113.40 1t2s n LYS 17 Ca -0.08 0.30 -0.11 0.00 -2.87 0.00 0.00 58.31 55.55 1t2s n LYS 17 Cb 0.61 -4.18 -0.10 0.00 -1.84 0.00 0.00 35.03 29.53 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 -1.44 -0.39 0.54 7.82 0.00 0.01 -4.91 121.76 123.40 1t2s s ALA 18 Ca 0.00 -0.08 -0.20 0.00 0.00 0.00 0.00 51.96 51.68 1t2s s ALA 18 Cb 0.00 0.11 -0.05 0.00 0.00 0.00 0.00 23.12 23.18 1t2s s ALA 18 CO 0.00 -0.22 1.20 -1.59 0.00 0.00 0.00 175.76 175.16 1t2s s LYS 19 N -1.38 3.26 -0.22 0.00 0.00 -1.26 -4.12 119.74 116.01 1t2s s LYS 19 Ca -0.15 1.83 -0.17 0.00 0.00 0.00 0.00 55.97 57.49 1t2s s LYS 19 Cb -0.07 -2.11 -0.03 0.00 0.00 0.00 0.00 37.83 35.61 1t2s s LYS 19 CO 0.02 -0.97 0.46 0.42 0.00 0.00 0.00 175.35 175.27 1t2s s ILE 20 N -1.57 5.14 0.00 3.79 1.01 -1.26 -4.87 121.20 123.44 1t2s s ILE 20 Ca 0.72 0.80 0.00 0.00 0.00 0.00 0.00 60.65 62.17 1t2s s ILE 20 Cb -0.30 -3.78 0.00 0.00 0.01 0.00 0.00 42.46 38.39 1t2s s ILE 20 CO 0.34 0.18 0.00 0.59 0.00 0.00 0.00 174.94 176.06 1t2s n ASN 21 N 4.90 0.31 0.00 3.58 4.13 -1.26 -4.99 115.26 121.93 1t2s n ASN 21 Ca -0.06 -0.57 0.07 0.00 1.68 0.00 0.00 54.58 55.70 1t2s n ASN 21 Cb 0.51 0.00 0.35 0.00 -1.54 0.00 0.00 39.78 39.09 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 -1.53 0.00 0.08 6.41 6.94 -1.26 -2.33 115.26 123.57 1t2s n ASN 22 Ca 0.00 0.20 0.03 0.00 -0.02 0.00 0.00 54.58 54.79 1t2s n ASN 22 Cb 0.00 -0.35 -0.03 0.00 -2.36 0.00 0.00 39.78 37.04 1t2s n ASN 22 CO 0.00 0.00 0.00 0.71 -1.03 0.00 0.00 177.26 176.94 1t2s h THR 23 N 0.00 0.44 -3.38 5.53 1.35 -1.96 -3.45 112.91 111.44 1t2s h THR 23 Ca 0.00 -1.78 -0.60 0.00 -0.55 0.00 0.00 66.41 63.48 1t2s h THR 23 Cb 0.17 1.99 -0.10 0.00 -1.73 0.00 0.00 68.15 68.48 1t2s h THR 23 CO 0.00 0.25 0.36 0.42 -0.25 0.00 0.00 175.52 176.29 1t2s s THR 24 N -3.04 4.87 -0.20 6.82 -4.23 -0.98 -4.94 115.64 113.95 1t2s s THR 24 Ca -0.01 1.34 -0.04 0.00 -1.18 0.00 0.00 61.69 61.80 1t2s s THR 24 Cb 0.08 -4.06 -0.06 0.00 1.34 0.00 0.00 72.50 69.80 1t2s s THR 24 CO 0.79 -0.08 2.94 0.59 -0.54 0.00 0.00 174.62 178.32 1t2s n ASN 25 N 5.96 5.84 -0.44 3.99 4.13 -1.26 -4.29 115.26 129.18 1t2s n ASN 25 Ca 0.03 -2.80 0.13 0.00 1.68 0.00 0.00 54.58 53.62 1t2s n ASN 25 Cb 0.48 -1.28 0.51 0.00 -1.54 0.00 0.00 39.78 37.95 1t2s n ASN 25 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1t2s n LEU 26 N 1.55 1.35 0.27 3.41 7.99 -1.26 -3.47 117.00 126.83 1t2s n LEU 26 Ca 0.39 -0.50 -0.11 0.00 -0.01 0.00 0.00 56.01 55.77 1t2s n LEU 26 Cb 0.70 -0.04 -0.05 0.00 -0.11 0.00 0.00 43.42 43.92 1t2s n LEU 26 CO 0.21 0.25 0.33 -2.24 -1.51 0.00 0.00 177.39 174.43 1t2s h ASP 27 N 1.96 -0.61 0.43 -1.43 2.03 -1.90 -1.84 116.42 115.06 1t2s h ASP 27 Ca 0.00 0.02 0.00 0.00 -0.73 0.00 0.00 57.03 56.32 1t2s h ASP 27 Cb 0.42 0.16 0.00 0.00 -0.83 0.00 0.00 39.33 39.08 1t2s h ASP 27 CO 0.00 -0.27 0.00 1.88 -1.03 0.00 0.00 179.24 179.82 1t2s h TYR 28 N -1.06 0.00 0.00 4.15 0.05 -1.88 -0.44 116.97 117.79 1t2s h TYR 28 Ca -0.07 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.71 1t2s h TYR 28 Cb 0.56 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.30 1t2s h TYR 28 CO 0.02 0.00 -0.25 0.77 -1.05 0.00 0.00 178.16 177.65 1t2s h SER 29 N 0.00 0.00 -0.29 3.88 0.02 -1.58 -3.32 113.55 112.26 1t2s h SER 29 Ca 0.00 -0.06 0.05 0.00 -0.84 0.00 0.00 61.79 60.93 1t2s h SER 29 Cb 0.21 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.74 1t2s h SER 29 CO 0.00 0.03 0.20 0.03 -1.14 0.00 0.00 176.83 175.95 1t2s h ARG 30 N 0.00 0.18 0.00 3.45 3.08 -0.18 0.15 114.38 121.05 1t2s h ARG 30 Ca 0.00 -0.01 -0.04 0.00 0.07 0.00 0.00 59.98 60.00 1t2s h ARG 30 Cb 0.80 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.81 1t2s h ARG 30 CO 0.00 0.12 -0.17 -0.09 -1.07 0.00 0.00 179.97 178.76 1t2s h ARG 31 N 0.19 0.00 -0.00 0.04 2.43 -1.74 0.22 114.38 115.51 1t2s h ARG 31 Ca 0.13 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 1t2s h ARG 31 Cb 0.27 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.82 1t2s h ARG 31 CO -0.02 0.17 -0.88 1.19 -1.51 0.00 0.00 179.97 178.92 1t2s n PHE 32 N -3.53 0.00 0.36 2.20 3.72 0.31 -3.57 117.46 116.95 1t2s n PHE 32 Ca -0.01 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.51 1t2s n PHE 32 Cb 0.32 -0.06 0.17 0.00 -0.94 0.00 0.00 39.48 38.98 1t2s n PHE 32 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 1t2s h LEU 33 N 0.02 0.00 -0.22 4.37 3.38 0.35 -3.35 115.31 119.86 1t2s h LEU 33 Ca 0.00 -0.06 0.06 0.00 0.09 0.00 0.00 57.88 57.97 1t2s h LEU 33 Cb 0.50 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.18 1t2s h LEU 33 CO 0.00 0.03 -0.26 -0.33 0.09 0.00 0.00 178.44 177.97 1t2s h GLU 34 N 0.00 -0.27 -0.46 1.13 5.08 -0.68 -0.39 114.58 119.00 1t2s h GLU 34 Ca 0.00 0.02 0.13 0.00 -1.00 0.00 0.00 59.36 58.51 1t2s h GLU 34 Cb 0.88 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.17 1t2s h GLU 34 CO 0.00 -0.18 0.36 -1.35 -1.00 0.00 0.00 179.01 176.84 1t2s h PRO 35 N -0.28 0.00 0.09 2.33 0.11 -1.78 0.10 132.00 132.57 1t2s h PRO 35 Ca 0.13 0.00 -0.29 0.00 0.11 0.00 0.00 66.00 65.94 1t2s h PRO 35 Cb 0.48 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.57 1t2s h PRO 35 CO -0.38 0.00 -1.49 0.35 -0.21 0.00 0.00 178.00 176.27 1t2s h PHE 36 N 0.00 0.36 -0.01 0.65 3.57 -1.57 -3.32 116.94 116.63 1t2s h PHE 36 Ca 0.22 -0.26 0.00 0.00 3.53 0.00 0.00 57.97 61.45 1t2s h PHE 36 Cb 0.94 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.67 1t2s h PHE 36 CO 0.00 1.31 -0.12 1.28 -2.23 0.00 0.00 178.31 178.55 1t2s n LEU 37 N -3.40 0.65 -4.57 0.59 4.32 -0.23 -4.79 117.00 109.56 1t2s n LEU 37 Ca -0.15 -0.09 -0.41 0.00 -0.02 0.00 0.00 56.01 55.34 1t2s n LEU 37 Cb 1.03 -0.14 -0.03 0.00 -1.62 0.00 0.00 43.42 42.66 1t2s n LEU 37 CO 0.49 0.12 1.59 -0.60 -1.22 0.00 0.00 177.39 177.77 1t2s s ARG 38 N -2.40 2.95 0.00 3.23 3.52 -0.11 -3.01 118.95 123.13 1t2s s ARG 38 Ca 0.30 1.07 0.00 0.00 -0.13 0.00 0.00 55.73 56.97 1t2s s ARG 38 Cb 0.20 -4.30 0.00 0.00 -1.56 0.00 0.00 34.95 29.29 1t2s s ARG 38 CO 0.46 -2.32 0.00 0.41 -0.81 0.00 0.00 175.30 173.04 1t2s n GLY 39 N 5.57 1.30 3.88 8.12 0.00 0.93 -5.01 105.19 119.98 1t2s n GLY 39 Ca 0.23 -0.11 -0.21 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.09 2.53 -0.08 -0.61 -4.36 -1.05 -4.82 121.20 110.72 1t2s s ILE 40 Ca 0.00 -1.35 0.05 0.00 -0.26 0.00 0.00 60.65 59.09 1t2s s ILE 40 Cb 0.00 -2.89 -0.00 0.00 1.25 0.00 0.00 42.46 40.82 1t2s s ILE 40 CO 0.00 0.00 -0.24 0.54 0.24 0.00 0.00 174.94 175.48 1t2s s ASN 41 N -4.16 3.00 -0.04 4.36 2.20 -1.22 -0.00 114.94 119.07 1t2s s ASN 41 Ca 0.47 -0.53 0.02 0.00 -0.94 0.00 0.00 52.86 51.89 1t2s s ASN 41 Cb -0.03 -1.15 0.01 0.00 -2.00 0.00 0.00 41.25 38.08 1t2s s ASN 41 CO 0.28 0.19 -0.09 0.68 -2.94 0.00 0.00 177.10 175.21 1t2s s VAL 42 N 0.16 0.86 -0.53 3.54 -7.23 -0.57 -3.25 120.40 113.38 1t2s s VAL 42 Ca -0.13 -0.35 -0.23 0.00 -1.81 0.00 0.00 61.98 59.46 1t2s s VAL 42 Cb -0.16 -0.79 0.05 0.00 0.56 0.00 0.00 36.38 36.03 1t2s s VAL 42 CO 0.07 0.28 0.84 -0.69 -0.31 0.00 0.00 175.10 175.29 1t2s s VAL 43 N 0.51 4.55 -0.43 1.32 1.01 0.14 -0.10 120.40 127.40 1t2s s VAL 43 Ca -0.09 0.06 -0.29 0.00 0.00 0.00 0.00 61.98 61.66 1t2s s VAL 43 Cb -0.13 -4.45 0.02 0.00 0.00 0.00 0.00 36.38 31.82 1t2s s VAL 43 CO 0.02 -1.00 1.22 -0.47 0.00 0.00 0.00 175.10 174.87 1t2s s TYR 44 N 3.52 2.72 -0.47 5.22 5.04 0.66 -2.14 117.35 131.91 1t2s s TYR 44 Ca 0.26 0.76 -0.15 0.00 -2.44 0.00 0.00 57.07 55.50 1t2s s TYR 44 Cb -0.14 -4.30 0.08 0.00 0.35 0.00 0.00 41.96 37.95 1t2s s TYR 44 CO 0.17 -1.46 0.39 0.99 -1.34 0.00 0.00 175.55 174.30 1t2s s THR 45 N 4.65 5.10 0.10 4.34 2.01 -0.96 -1.39 115.64 129.49 1t2s s THR 45 Ca 0.52 -1.14 -0.31 0.00 0.31 0.00 0.00 61.69 61.07 1t2s s THR 45 Cb -0.10 -4.08 -0.08 0.00 0.01 0.00 0.00 72.50 68.26 1t2s s THR 45 CO 0.30 -0.59 1.43 -2.84 -0.69 0.00 0.00 174.62 172.23 1t2s s PRO 46 N 1.61 4.29 0.67 4.92 0.02 -1.26 -4.91 135.00 140.35 1t2s s PRO 46 Ca 0.04 2.11 -0.17 0.00 0.02 0.00 0.00 61.00 63.00 1t2s s PRO 46 Cb -0.25 -3.32 -0.04 0.00 0.02 0.00 0.00 34.50 30.91 1t2s s PRO 46 CO 0.06 -0.50 0.64 -2.30 -0.33 0.00 0.00 177.00 174.57 1t2s n PRO 47 N 4.33 0.45 0.33 5.54 -0.02 -1.26 -4.72 135.00 139.64 1t2s n PRO 47 Ca 0.12 0.19 0.21 0.00 -2.02 0.00 0.00 63.50 62.00 1t2s n PRO 47 Cb 0.42 -1.90 1.13 0.00 -0.02 0.00 0.00 33.50 33.14 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 -0.12 0.00 0.00 -0.52 3.07 -1.97 0.31 115.11 115.88 1t2s h GLN 48 Ca -0.46 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.28 1t2s h GLN 48 Cb 1.36 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.92 1t2s h GLN 48 CO 0.45 0.00 0.00 0.43 0.09 0.00 0.00 178.83 179.80 1t2s n SER 49 N -3.29 0.00 -0.01 0.06 7.64 -1.26 -3.37 113.62 113.38 1t2s n SER 49 Ca -0.03 0.06 -0.21 0.00 1.01 0.00 0.00 58.87 59.70 1t2s n SER 49 Cb 0.08 -0.35 -0.14 0.00 -1.01 0.00 0.00 64.21 62.80 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 -1.35 1.10 -3.25 1.43 3.01 0.11 -4.90 117.46 113.60 1t2s n PHE 50 Ca 0.12 0.23 -0.11 0.00 1.01 0.00 0.00 57.45 58.70 1t2s n PHE 50 Cb 0.26 -1.14 0.03 0.00 -0.01 0.00 0.00 39.48 38.62 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 -3.45 -1.67 -4.07 -1.08 6.02 -1.21 -5.05 117.38 106.88 1t2s n GLN 51 Ca -0.34 1.09 -0.12 0.00 -0.01 0.00 0.00 57.00 57.63 1t2s n GLN 51 Cb 1.04 -5.38 -0.11 0.00 1.02 0.00 0.00 30.24 26.81 1t2s n GLN 51 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 1t2s s SER 52 N -3.20 0.79 0.01 1.08 0.01 -1.26 -5.14 113.70 106.00 1t2s s SER 52 Ca 0.23 -0.62 -0.30 0.00 1.31 0.00 0.00 55.95 56.57 1t2s s SER 52 Cb -0.04 0.06 -0.03 0.00 0.21 0.00 0.00 66.02 66.21 1t2s s SER 52 CO 0.77 -0.27 0.96 0.00 0.41 0.00 0.00 173.24 175.11 1t2s s ALA 53 N -1.79 3.18 0.21 1.44 0.00 -1.26 -4.55 121.76 118.99 1t2s s ALA 53 Ca -0.07 0.52 -0.32 0.00 0.00 0.00 0.00 51.96 52.09 1t2s s ALA 53 Cb -0.07 -3.31 -0.13 0.00 0.00 0.00 0.00 23.12 19.61 1t2s s ALA 53 CO -0.01 -0.19 1.64 -2.30 0.00 0.00 0.00 175.76 174.89 1t2s n PRO 54 N 3.74 2.52 -3.80 0.00 -0.02 -1.26 -4.78 135.00 131.41 1t2s n PRO 54 Ca 0.05 0.91 -0.14 0.00 -2.02 0.00 0.00 63.50 62.30 1t2s n PRO 54 Cb 0.51 -2.71 -0.15 0.00 -0.02 0.00 0.00 33.50 31.14 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 0.69 0.03 0.09 -0.52 3.52 -0.49 -4.93 118.95 117.34 1t2s s ARG 55 Ca 0.74 0.19 -0.21 0.00 -0.13 0.00 0.00 55.73 56.32 1t2s s ARG 55 Cb -0.57 -0.12 -0.07 0.00 -1.56 0.00 0.00 34.95 32.63 1t2s s ARG 55 CO 0.38 -0.11 0.61 0.54 -0.81 0.00 0.00 175.30 175.91 1t2s s VAL 56 N 0.70 4.66 0.01 7.11 0.11 -1.26 -0.24 120.40 131.49 1t2s s VAL 56 Ca -0.06 1.32 0.05 0.00 -2.93 0.00 0.00 61.98 60.36 1t2s s VAL 56 Cb -0.08 -3.95 -0.01 0.00 -1.53 0.00 0.00 36.38 30.81 1t2s s VAL 56 CO -0.03 0.55 -0.14 -0.31 -3.33 0.00 0.00 175.10 171.84 1t2s s TYR 57 N -1.11 1.25 -0.58 1.54 2.02 0.86 -4.93 117.35 116.40 1t2s s TYR 57 Ca 0.30 -0.27 -0.23 0.00 -0.37 0.00 0.00 57.07 56.50 1t2s s TYR 57 Cb -0.20 -0.78 0.06 0.00 -0.40 0.00 0.00 41.96 40.63 1t2s s TYR 57 CO 0.20 -0.00 0.89 0.50 -1.57 0.00 0.00 175.55 175.58 1t2s s ARG 58 N -0.59 3.22 -0.06 -0.62 6.06 -1.26 -1.51 118.95 124.18 1t2s s ARG 58 Ca 0.04 -0.58 -0.29 0.00 -2.50 0.00 0.00 55.73 52.40 1t2s s ARG 58 Cb -0.06 -4.12 -0.06 0.00 0.06 0.00 0.00 34.95 30.76 1t2s s ARG 58 CO 0.00 -1.55 1.85 0.08 -2.50 0.00 0.00 175.30 173.18 1t2s s VAL 59 N 3.74 3.29 0.01 7.11 1.01 1.00 -4.71 120.40 131.86 1t2s s VAL 59 Ca 0.25 0.34 0.11 0.00 0.00 0.00 0.00 61.98 62.68 1t2s s VAL 59 Cb -0.15 -3.25 -0.20 0.00 0.00 0.00 0.00 36.38 32.77 1t2s s VAL 59 CO 0.15 -0.06 0.94 0.78 0.00 0.00 0.00 175.10 176.91 1t2s h ASN 60 N 10.84 0.00 0.00 3.32 4.21 -1.81 0.27 115.58 132.41 1t2s h ASN 60 Ca -0.43 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.08 1t2s h ASN 60 Cb 1.21 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.41 1t2s h ASN 60 CO 0.96 0.95 0.00 0.61 -1.29 0.00 0.00 177.43 178.66 1t2s n GLY 61 N 1.45 -0.78 3.34 2.83 0.00 -1.09 -4.25 105.19 106.70 1t2s n GLY 61 Ca -0.09 -0.27 -0.18 0.00 0.00 0.00 0.00 46.02 45.48 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 2.37 -0.16 0.99 1.43 -1.26 -0.73 118.68 121.32 1t2s s LEU 62 Ca 0.00 -1.15 -0.13 0.00 -1.03 0.00 0.00 54.13 51.82 1t2s s LEU 62 Cb 0.00 -0.43 -0.05 0.00 0.03 0.00 0.00 46.19 45.75 1t2s s LEU 62 CO 0.00 -0.40 0.26 -0.55 0.23 0.00 0.00 176.35 175.89 1t2s s SER 63 N -3.32 6.40 0.00 2.29 0.15 0.76 -4.60 113.70 115.38 1t2s s SER 63 Ca 0.26 0.46 0.17 0.00 0.70 0.00 0.00 55.95 57.54 1t2s s SER 63 Cb 0.04 -2.16 0.83 0.00 -1.71 0.00 0.00 66.02 63.01 1t2s s SER 63 CO 0.08 0.13 1.49 0.54 1.20 0.00 0.00 173.24 176.68 1t2s n ARG 64 N 3.48 0.21 -4.03 5.44 3.00 -1.26 -3.63 116.66 119.87 1t2s n ARG 64 Ca -0.13 0.14 -0.35 0.00 -0.01 0.00 0.00 57.85 57.50 1t2s n ARG 64 Cb 0.52 -1.50 -0.13 0.00 0.00 0.00 0.00 32.46 31.35 1t2s n ARG 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1t2s s ALA 65 N -2.62 2.90 0.98 7.54 0.00 -1.26 -4.98 121.76 124.33 1t2s s ALA 65 Ca 0.15 -1.07 -0.11 0.00 0.00 0.00 0.00 51.96 50.93 1t2s s ALA 65 Cb 0.11 -1.71 0.18 0.00 0.00 0.00 0.00 23.12 21.70 1t2s s ALA 65 CO 0.26 -0.27 1.11 -2.14 0.00 0.00 0.00 175.76 174.72 1t2s s PRO 66 N 1.21 0.51 0.35 0.00 0.02 -1.26 -3.61 135.00 132.22 1t2s s PRO 66 Ca 0.03 1.30 0.26 0.00 0.02 0.00 0.00 61.00 62.62 1t2s s PRO 66 Cb -0.14 -1.69 1.15 0.00 0.02 0.00 0.00 34.50 33.84 1t2s s PRO 66 CO -0.00 -2.90 1.79 0.00 -0.33 0.00 0.00 177.00 175.56 1t2s h ALA 67 N -2.05 1.00 -0.00 -1.55 0.00 -1.24 -0.47 119.26 114.95 1t2s h ALA 67 Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.42 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 0.45 0.00 -0.34 0.43 0.00 0.00 0.00 179.25 179.79 1t2s n SER 68 N -2.46 0.47 -0.12 0.00 7.64 -1.06 -1.80 113.62 116.28 1t2s n SER 68 Ca 0.01 -0.22 -0.21 0.00 1.01 0.00 0.00 58.87 59.46 1t2s n SER 68 Cb 0.22 0.06 -0.10 0.00 -1.01 0.00 0.00 64.21 63.38 1t2s n SER 68 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1t2s n SER 69 N -1.34 1.99 -4.72 6.43 7.64 -0.21 -4.95 113.62 118.45 1t2s n SER 69 Ca 0.07 0.07 -0.42 0.00 1.01 0.00 0.00 58.87 59.61 1t2s n SER 69 Cb 0.33 -0.54 -0.03 0.00 -1.01 0.00 0.00 64.21 62.96 1t2s n SER 69 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1t2s s GLU 70 N -2.47 4.48 0.18 1.43 0.41 -1.06 -4.99 118.70 116.69 1t2s s GLU 70 Ca -0.33 1.77 0.11 0.00 -0.41 0.00 0.00 54.97 56.11 1t2s s GLU 70 Cb 0.11 -3.31 -0.04 0.00 -1.78 0.00 0.00 34.13 29.10 1t2s s GLU 70 CO 0.50 -0.15 -0.23 0.95 -0.49 0.00 0.00 175.26 175.84 1t2s s THR 71 N 0.55 2.20 0.02 3.63 -4.23 -1.26 -2.04 115.64 114.50 1t2s s THR 71 Ca 0.55 -1.98 -0.05 0.00 -1.18 0.00 0.00 61.69 59.03 1t2s s THR 71 Cb -0.30 -2.03 -0.01 0.00 1.34 0.00 0.00 72.50 71.50 1t2s s THR 71 CO 0.32 -0.16 0.08 0.72 -0.54 0.00 0.00 174.62 175.04 1t2s s PHE 72 N -1.73 0.14 -0.50 3.99 -0.71 0.32 -4.95 117.98 114.54 1t2s s PHE 72 Ca 0.19 -0.33 -0.23 0.00 -1.04 0.00 0.00 56.93 55.51 1t2s s PHE 72 Cb -0.07 -0.11 0.04 0.00 -1.21 0.00 0.00 43.02 41.66 1t2s s PHE 72 CO 0.09 -0.28 0.85 -2.00 -1.34 0.00 0.00 175.22 172.54 1t2s s GLU 73 N -1.73 3.36 -0.19 1.99 2.12 -1.26 -1.40 118.70 121.59 1t2s s GLU 73 Ca -0.12 -0.21 0.01 0.00 0.36 0.00 0.00 54.97 55.00 1t2s s GLU 73 Cb -0.06 -4.00 0.03 0.00 0.26 0.00 0.00 34.13 30.36 1t2s s GLU 73 CO -0.01 -1.29 -0.15 -1.58 -0.54 0.00 0.00 175.26 171.69 1t2s s HIS 74 N 3.56 2.58 -1.35 5.30 2.46 0.99 -4.65 115.29 124.17 1t2s s HIS 74 Ca 0.30 -1.60 -0.01 0.00 0.47 0.00 0.00 55.06 54.21 1t2s s HIS 74 Cb -0.13 -1.76 0.00 0.00 -0.13 0.00 0.00 32.58 30.57 1t2s s HIS 74 CO 0.21 -0.76 0.19 -3.47 -2.47 0.00 0.00 174.74 168.43 1t2s n ASP 75 N 4.66 -5.03 0.00 9.88 2.03 -1.26 -1.71 116.55 125.11 1t2s n ASP 75 Ca -0.17 -0.10 0.00 0.00 0.52 0.00 0.00 54.79 55.04 1t2s n ASP 75 Cb 0.48 -4.04 0.00 0.00 -0.72 0.00 0.00 41.12 36.84 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 -1.15 1.65 3.43 0.27 0.00 -1.26 -5.00 105.19 103.13 1t2s n GLY 76 Ca -0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.04 3.54 -0.54 1.61 -0.14 -0.69 -5.05 119.74 118.43 1t2s s LYS 77 Ca 0.00 -0.58 -0.21 0.00 -1.36 0.00 0.00 55.97 53.81 1t2s s LYS 77 Cb 0.00 -2.85 0.05 0.00 -1.68 0.00 0.00 37.83 33.35 1t2s s LYS 77 CO 0.00 0.16 0.78 0.15 -0.76 0.00 0.00 175.35 175.68 1t2s s LYS 78 N 0.54 3.20 0.22 1.68 1.02 -1.26 -0.01 119.74 125.14 1t2s s LYS 78 Ca -0.05 -0.64 0.07 0.00 0.02 0.00 0.00 55.97 55.37 1t2s s LYS 78 Cb -0.15 -4.09 -0.04 0.00 -0.52 0.00 0.00 37.83 33.03 1t2s s LYS 78 CO 0.03 -1.37 0.12 0.14 -0.92 0.00 0.00 175.35 173.35 1t2s s VAL 79 N 3.25 4.22 0.72 3.17 -7.23 -0.50 -4.80 120.40 119.23 1t2s s VAL 79 Ca 0.22 -1.38 -0.11 0.00 -1.81 0.00 0.00 61.98 58.90 1t2s s VAL 79 Cb -0.16 -3.22 0.03 0.00 0.56 0.00 0.00 36.38 33.59 1t2s s VAL 79 CO 0.15 -0.25 1.09 0.42 -0.31 0.00 0.00 175.10 176.20 1t2s s THR 80 N -1.99 3.07 0.20 5.32 -4.23 -1.26 -0.53 115.64 116.23 1t2s s THR 80 Ca 0.31 0.26 -0.10 0.00 -1.18 0.00 0.00 61.69 60.98 1t2s s THR 80 Cb -0.08 -3.33 0.13 0.00 1.34 0.00 0.00 72.50 70.56 1t2s s THR 80 CO 0.23 -0.42 1.78 0.40 -0.54 0.00 0.00 174.62 176.07 1t2s h ILE 81 N -0.69 0.88 -0.65 2.99 1.08 -0.99 -0.74 117.51 119.38 1t2s h ILE 81 Ca -0.45 -0.18 -0.08 0.00 -0.39 0.00 0.00 64.86 63.75 1t2s h ILE 81 Cb 1.28 0.30 -0.03 0.00 -3.07 0.00 0.00 36.82 35.30 1t2s h ILE 81 CO 0.64 0.10 0.09 0.00 -0.69 0.00 0.00 178.15 178.28 1t2s h ALA 82 N 1.37 0.92 -0.72 1.87 0.00 -1.66 -2.77 119.26 118.27 1t2s h ALA 82 Ca 0.29 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1t2s h ALA 82 Cb 0.27 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 1t2s h ALA 82 CO -0.23 0.66 0.36 1.03 0.00 0.00 0.00 179.25 181.07 1t2s h SER 83 N 1.02 0.91 -0.15 0.00 0.87 -1.57 0.16 113.55 114.79 1t2s h SER 83 Ca 0.20 -0.09 -0.01 0.00 -1.23 0.00 0.00 61.79 60.66 1t2s h SER 83 Cb 0.46 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 62.18 1t2s h SER 83 CO 0.02 0.76 0.07 0.22 -0.53 0.00 0.00 176.83 177.36 1t2s h TYR 84 N 1.01 0.23 -0.61 2.24 3.20 -0.93 0.28 116.97 122.38 1t2s h TYR 84 Ca 0.25 -0.02 -0.08 0.00 3.14 0.00 0.00 58.73 62.02 1t2s h TYR 84 Cb 0.08 -0.07 -0.02 0.00 1.54 0.00 0.00 36.73 38.25 1t2s h TYR 84 CO 0.01 0.29 0.05 0.74 -1.64 0.00 0.00 178.16 177.61 1t2s h PHE 85 N 0.10 1.11 -0.47 -3.82 -1.00 -1.21 -0.00 116.94 111.64 1t2s h PHE 85 Ca 0.05 -0.17 0.00 0.00 2.81 0.00 0.00 57.97 60.67 1t2s h PHE 85 Cb 0.15 -0.30 -0.02 0.00 3.61 0.00 0.00 35.95 39.39 1t2s h PHE 85 CO -0.02 0.96 0.30 1.25 -1.61 0.00 0.00 178.31 179.19 1t2s h HIS 86 N 0.96 0.61 -0.06 -0.55 2.76 -0.47 0.22 115.15 118.61 1t2s h HIS 86 Ca 0.18 0.01 -0.08 0.00 -2.20 0.00 0.00 60.37 58.28 1t2s h HIS 86 Cb 0.48 -0.20 -0.01 0.00 1.55 0.00 0.00 27.41 29.23 1t2s h HIS 86 CO 0.03 0.41 -0.32 1.03 -1.30 0.00 0.00 177.93 177.78 1t2s h SER 87 N 0.64 0.12 0.00 3.26 0.87 -0.67 -1.99 113.55 115.77 1t2s h SER 87 Ca 0.17 -0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.69 1t2s h SER 87 Cb -0.04 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 61.89 1t2s h SER 87 CO -0.03 0.44 0.00 -1.14 -0.53 0.00 0.00 176.83 175.57 1t2s n ARG 88 N -4.12 0.91 -2.59 2.24 3.00 -0.04 -4.85 116.66 111.21 1t2s n ARG 88 Ca -0.02 0.00 -0.06 0.00 -0.00 0.00 0.00 57.85 57.78 1t2s n ARG 88 Cb 0.39 -1.34 0.02 0.00 0.00 0.00 0.00 32.46 31.54 1t2s n ARG 88 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 1t2s n ASN 89 N -0.84 -2.59 -3.07 6.15 5.15 -0.75 -4.61 115.26 114.71 1t2s n ASN 89 Ca 0.15 -0.16 -0.17 0.00 -0.60 0.00 0.00 54.58 53.80 1t2s n ASN 89 Cb 0.07 -1.78 -0.04 0.00 -0.53 0.00 0.00 39.78 37.50 1t2s n ASN 89 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1t2s n TYR 90 N -2.50 -2.03 -1.93 1.20 9.36 0.70 -4.87 117.16 117.10 1t2s n TYR 90 Ca -0.04 -2.56 -0.43 0.00 3.32 0.00 0.00 57.90 58.19 1t2s n TYR 90 Cb 0.53 0.69 -0.03 0.00 -0.63 0.00 0.00 39.34 39.91 1t2s n TYR 90 CO 0.00 0.00 0.00 -1.25 0.22 0.00 0.00 176.86 175.83 1t2s s PRO 91 N 0.13 3.78 0.11 2.98 0.04 -1.26 -3.54 135.00 137.24 1t2s s PRO 91 Ca 0.32 1.96 -0.31 0.00 0.04 0.00 0.00 61.00 63.02 1t2s s PRO 91 Cb 0.09 -4.12 -0.10 0.00 0.04 0.00 0.00 34.50 30.41 1t2s s PRO 91 CO -0.15 -1.33 1.77 -0.51 0.04 0.00 0.00 177.00 176.82 1t2s s LEU 92 N 5.50 4.39 0.38 -3.56 1.43 -1.26 -4.88 118.68 120.67 1t2s s LEU 92 Ca 0.80 2.68 0.16 0.00 -1.03 0.00 0.00 54.13 56.74 1t2s s LEU 92 Cb -0.31 -3.57 0.74 0.00 0.03 0.00 0.00 46.19 43.09 1t2s s LEU 92 CO 0.33 -0.96 1.79 0.11 0.23 0.00 0.00 176.35 177.84 1t2s h LYS 93 N 8.40 0.00 -2.03 1.70 1.57 -2.02 -3.33 116.57 120.86 1t2s h LYS 93 Ca -0.45 0.00 -0.55 0.00 -1.87 0.00 0.00 60.65 57.78 1t2s h LYS 93 Cb 1.21 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 33.12 1t2s h LYS 93 CO 0.94 0.38 -1.06 1.97 -0.57 0.00 0.00 179.45 181.12 1t2s n PHE 94 N -3.80 0.37 0.63 -1.35 1.16 -1.26 -4.87 117.46 108.34 1t2s n PHE 94 Ca -0.01 -3.70 0.08 0.00 -1.87 0.00 0.00 57.45 51.95 1t2s n PHE 94 Cb 0.45 -0.39 0.38 0.00 -1.61 0.00 0.00 39.48 38.31 1t2s n PHE 94 CO 0.00 0.00 0.00 -0.35 -1.87 0.00 0.00 176.76 174.54 1t2s n PRO 95 N 1.02 0.05 -0.01 3.97 -0.04 -1.25 -2.34 135.00 136.40 1t2s n PRO 95 Ca 0.23 0.19 0.14 0.00 -0.04 0.00 0.00 63.50 64.02 1t2s n PRO 95 Cb 0.54 -1.50 0.71 0.00 -0.04 0.00 0.00 33.50 33.21 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 -1.46 1.27 -2.71 0.54 0.00 -1.26 -1.91 117.38 111.85 1t2s n GLN 96 Ca 0.05 -0.40 -0.38 0.00 -0.00 0.00 0.00 57.00 56.27 1t2s n GLN 96 Cb 0.19 -1.46 -0.06 0.00 0.00 0.00 0.00 30.24 28.91 1t2s n GLN 96 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 1t2s s LEU 97 N -1.90 4.44 0.23 1.69 1.43 -0.99 -4.71 118.68 118.86 1t2s s LEU 97 Ca 0.41 1.95 -0.31 0.00 -1.03 0.00 0.00 54.13 55.14 1t2s s LEU 97 Cb 0.20 -3.86 -0.12 0.00 0.03 0.00 0.00 46.19 42.44 1t2s s LEU 97 CO 0.33 -0.05 1.67 -1.00 0.23 0.00 0.00 176.35 177.52 1t2s s HIS 98 N -1.43 2.88 0.67 0.29 3.76 -1.26 -2.87 115.29 117.32 1t2s s HIS 98 Ca 0.47 0.49 -0.12 0.00 -0.15 0.00 0.00 55.06 55.75 1t2s s HIS 98 Cb -0.23 -4.10 -0.00 0.00 1.11 0.00 0.00 32.58 29.36 1t2s s HIS 98 CO 0.29 -4.02 1.06 0.00 -0.85 0.00 0.00 174.74 171.22 1t2s s LEU 100 N -5.21 4.53 -0.44 0.00 2.96 0.63 -0.17 118.68 120.98 1t2s s LEU 100 Ca 0.60 2.18 -0.07 0.00 -0.22 0.00 0.00 54.13 56.62 1t2s s LEU 100 Cb -0.15 -3.62 0.11 0.00 0.50 0.00 0.00 46.19 43.03 1t2s s LEU 100 CO 0.49 -0.16 0.29 0.21 -1.32 0.00 0.00 176.35 175.86 1t2s s ASN 101 N -0.58 5.57 0.22 3.68 2.47 0.09 -2.30 114.94 124.10 1t2s s ASN 101 Ca 0.46 -1.87 0.04 0.00 0.42 0.00 0.00 52.86 51.91 1t2s s ASN 101 Cb -0.31 -1.96 -0.01 0.00 -1.45 0.00 0.00 41.25 37.52 1t2s s ASN 101 CO 0.38 -0.63 0.14 1.33 -3.72 0.00 0.00 177.10 174.60 1t2s n VAL 102 N 4.83 0.00 0.00 -5.21 0.24 -1.02 -2.66 118.33 114.50 1t2s n VAL 102 Ca -0.07 -1.47 0.00 0.00 -2.04 0.00 0.00 64.34 60.76 1t2s n VAL 102 Cb 0.41 0.66 0.00 0.00 -1.47 0.00 0.00 33.84 33.44 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 -0.08 0.95 2.93 7.63 0.00 -1.26 -0.54 105.19 114.82 1t2s n GLY 103 Ca 0.01 -0.90 -0.11 0.00 0.00 0.00 0.00 46.02 45.03 1t2s n GLY 103 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1t2s n SER 104 N 0.00 -1.41 0.05 1.61 3.41 0.32 -4.98 113.62 112.62 1t2s n SER 104 Ca 0.00 -2.50 -0.21 0.00 -0.26 0.00 0.00 58.87 55.90 1t2s n SER 104 Cb 0.00 2.50 -0.12 0.00 -0.26 0.00 0.00 64.21 66.33 1t2s n SER 104 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1t2s h SER 105 N 1.65 0.82 0.88 4.04 0.02 -1.99 -2.60 113.55 116.37 1t2s h SER 105 Ca -0.25 -0.78 -0.16 0.00 -0.84 0.00 0.00 61.79 59.76 1t2s h SER 105 Cb 1.01 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 63.27 1t2s h SER 105 CO 0.32 1.51 -0.75 0.16 -1.14 0.00 0.00 176.83 176.93 1t2s h ILE 106 N 0.23 1.46 -2.78 3.27 3.07 -2.00 -3.38 117.51 117.37 1t2s h ILE 106 Ca -0.14 -2.63 -0.60 0.00 1.55 0.00 0.00 64.86 63.03 1t2s h ILE 106 Cb 1.71 2.45 -0.40 0.00 -0.27 0.00 0.00 36.82 40.31 1t2s h ILE 106 CO 0.20 0.73 -0.79 -0.75 -1.05 0.00 0.00 178.15 176.49 1t2s s LYS 107 N -3.17 1.24 0.00 0.16 2.20 -1.24 -5.10 119.74 113.83 1t2s s LYS 107 Ca 0.00 -2.11 -0.25 0.00 -0.36 0.00 0.00 55.97 53.26 1t2s s LYS 107 Cb 0.11 -2.09 -0.05 0.00 -1.51 0.00 0.00 37.83 34.29 1t2s s LYS 107 CO 0.78 -1.24 0.75 -1.12 -0.36 0.00 0.00 175.35 174.16 1t2s s SER 108 N 0.15 7.14 -0.12 1.43 0.01 -0.98 -0.53 113.70 120.80 1t2s s SER 108 Ca 0.22 1.37 0.02 0.00 1.31 0.00 0.00 55.95 58.87 1t2s s SER 108 Cb -0.15 -2.45 -0.01 0.00 0.21 0.00 0.00 66.02 63.63 1t2s s SER 108 CO -0.07 -0.04 -0.18 0.27 0.41 0.00 0.00 173.24 173.63 1t2s s ILE 109 N 0.27 2.58 -0.27 1.44 -4.36 0.30 -4.94 121.20 116.21 1t2s s ILE 109 Ca 0.39 -0.83 -0.11 0.00 -0.26 0.00 0.00 60.65 59.84 1t2s s ILE 109 Cb -0.20 -2.05 -0.05 0.00 1.25 0.00 0.00 42.46 41.42 1t2s s ILE 109 CO 0.21 0.54 0.18 -0.76 0.24 0.00 0.00 174.94 175.35 1t2s s LEU 110 N 0.40 4.04 0.08 0.37 1.43 -1.25 -2.45 118.68 121.30 1t2s s LEU 110 Ca -0.14 0.02 0.07 0.00 -1.03 0.00 0.00 54.13 53.06 1t2s s LEU 110 Cb -0.17 -2.11 -0.03 0.00 0.03 0.00 0.00 46.19 43.91 1t2s s LEU 110 CO 0.06 -0.02 -0.20 -0.76 0.23 0.00 0.00 176.35 175.67 1t2s s LEU 111 N 1.57 2.26 -0.11 1.79 1.43 -0.97 -4.83 118.68 119.82 1t2s s LEU 111 Ca 0.07 -0.63 -0.29 0.00 -1.03 0.00 0.00 54.13 52.25 1t2s s LEU 111 Cb -0.15 -0.84 -0.06 0.00 0.03 0.00 0.00 46.19 45.17 1t2s s LEU 111 CO 0.09 0.06 1.88 -2.84 0.23 0.00 0.00 176.35 175.77 1t2s s PRO 112 N -1.68 3.82 0.63 1.29 0.02 -1.26 -0.27 135.00 137.56 1t2s s PRO 112 Ca 0.05 2.15 0.31 0.00 0.02 0.00 0.00 61.00 63.53 1t2s s PRO 112 Cb -0.10 -4.15 1.67 0.00 0.02 0.00 0.00 34.50 31.95 1t2s s PRO 112 CO 0.03 -1.29 2.00 0.97 -0.33 0.00 0.00 177.00 178.37 1t2s h ILE 113 N 6.11 0.19 -0.83 2.83 2.10 -1.93 0.25 117.51 126.23 1t2s h ILE 113 Ca -0.42 0.00 0.08 0.00 1.08 0.00 0.00 64.86 65.60 1t2s h ILE 113 Cb 1.20 0.72 -0.06 0.00 -1.09 0.00 0.00 36.82 37.60 1t2s h ILE 113 CO 0.96 0.00 0.54 -0.08 -1.08 0.00 0.00 178.15 178.50 1t2s h GLU 114 N 0.00 0.84 -0.40 2.19 4.57 -1.96 -2.64 114.58 117.18 1t2s h GLU 114 Ca 0.07 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.20 1t2s h GLU 114 Cb 0.69 -0.19 0.00 0.00 -0.16 0.00 0.00 28.75 29.09 1t2s h GLU 114 CO -0.00 0.56 0.00 1.28 -1.18 0.00 0.00 179.01 179.67 1t2s n LEU 115 N -4.50 3.33 -4.64 1.64 4.77 0.84 -4.76 117.00 113.68 1t2s n LEU 115 Ca 0.13 -1.60 -0.38 0.00 -0.03 0.00 0.00 56.01 54.13 1t2s n LEU 115 Cb 0.25 -0.26 -0.09 0.00 -2.33 0.00 0.00 43.42 41.00 1t2s n LEU 115 CO 0.32 0.75 0.03 0.00 -1.33 0.00 0.00 177.39 177.17 1t2s s SER 117 N 1.35 3.87 -0.15 0.00 0.15 -0.91 -0.09 113.70 117.93 1t2s s SER 117 Ca 0.15 -1.02 -0.29 0.00 0.70 0.00 0.00 55.95 55.49 1t2s s SER 117 Cb -0.15 -1.53 -0.03 0.00 -1.71 0.00 0.00 66.02 62.59 1t2s s SER 117 CO 0.08 -0.10 1.52 -0.63 1.20 0.00 0.00 173.24 175.31 1t2s s ILE 118 N 1.21 3.83 0.34 6.45 1.01 0.14 0.25 121.20 134.43 1t2s s ILE 118 Ca -0.02 0.98 -0.14 0.00 0.00 0.00 0.00 60.65 61.47 1t2s s ILE 118 Cb -0.17 -3.71 -0.08 0.00 0.01 0.00 0.00 42.46 38.51 1t2s s ILE 118 CO -0.08 -0.17 0.75 -0.70 0.00 0.00 0.00 174.94 174.73 1t2s s GLU 119 N 4.09 3.96 0.48 2.79 2.56 -1.20 0.60 118.70 131.98 1t2s s GLU 119 Ca 0.67 0.63 0.26 0.00 0.00 0.00 0.00 54.97 56.54 1t2s s GLU 119 Cb -0.27 -2.42 1.32 0.00 2.00 0.00 0.00 34.13 34.76 1t2s s GLU 119 CO 0.25 0.11 1.84 1.05 -0.56 0.00 0.00 175.26 177.95 1t2s h GLU 120 N 2.03 0.18 -3.49 4.30 4.11 -1.90 -2.31 114.58 117.49 1t2s h GLU 120 Ca -0.48 -0.01 -0.62 0.00 0.07 0.00 0.00 59.36 58.33 1t2s h GLU 120 Cb 1.18 -0.04 0.01 0.00 0.50 0.00 0.00 28.75 30.40 1t2s h GLU 120 CO 0.65 0.12 3.27 0.41 0.07 0.00 0.00 179.01 183.52 1t2s n GLY 121 N -1.62 3.88 0.25 1.06 0.00 -1.26 -4.78 105.19 102.72 1t2s n GLY 121 Ca 0.21 -1.36 -0.08 0.00 0.00 0.00 0.00 46.02 44.79 1t2s n GLY 121 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1t2s h GLN 122 N 5.82 -0.21 0.00 1.61 4.15 -1.79 -3.45 115.11 121.25 1t2s h GLN 122 Ca 0.68 0.01 0.00 0.00 0.77 0.00 0.00 58.65 60.11 1t2s h GLN 122 Cb 0.38 0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.12 1t2s h GLN 122 CO 1.76 -0.14 0.00 0.00 -1.93 0.00 0.00 178.83 178.52