#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t2r s ALA 2 N 0.00 -0.88 -0.67 4.61 0.00 -1.26 -4.67 121.76 118.89 1t2r s ALA 2 Ca 0.00 0.49 -0.01 0.00 0.00 0.00 0.00 51.96 52.44 1t2r s ALA 2 Cb 0.00 -0.01 0.17 0.00 0.00 0.00 0.00 23.12 23.28 1t2r s ALA 2 CO 0.00 -0.26 0.49 1.41 0.00 0.00 0.00 175.76 177.40 1t2r s MET 3 N -1.15 2.63 -0.15 0.00 -2.45 -0.31 -5.04 119.30 112.84 1t2r s MET 3 Ca -0.12 -2.74 -0.04 0.00 -1.25 0.00 0.00 55.69 51.54 1t2r s MET 3 Cb -0.04 -3.71 -0.03 0.00 1.25 0.00 0.00 34.83 32.30 1t2r s MET 3 CO 0.04 -1.19 -0.03 0.00 1.05 0.00 0.00 175.02 174.90 1t2r s ALA 4 N -0.43 3.06 -0.03 4.11 0.00 -1.26 -1.38 121.76 125.83 1t2r s ALA 4 Ca 0.19 -0.81 0.03 0.00 0.00 0.00 0.00 51.96 51.37 1t2r s ALA 4 Cb -0.18 -1.56 0.00 0.00 0.00 0.00 0.00 23.12 21.38 1t2r s ALA 4 CO -0.05 0.27 -0.10 -1.64 0.00 0.00 0.00 175.76 174.23 1t2r s MET 5 N 0.18 1.04 0.13 0.00 1.00 -0.39 -4.98 119.30 116.28 1t2r s MET 5 Ca -0.01 -0.34 -0.31 0.00 0.00 0.00 0.00 55.69 55.02 1t2r s MET 5 Cb -0.14 -0.97 -0.10 0.00 0.00 0.00 0.00 34.83 33.63 1t2r s MET 5 CO 0.03 0.14 1.73 -2.14 0.00 0.00 0.00 175.02 174.77 1t2r s PRO 6 N 0.14 4.16 0.62 2.03 0.02 -1.26 -0.09 135.00 140.62 1t2r s PRO 6 Ca -0.03 2.49 0.36 0.00 0.02 0.00 0.00 61.00 63.84 1t2r s PRO 6 Cb -0.08 -3.46 2.05 0.00 0.02 0.00 0.00 34.50 33.02 1t2r s PRO 6 CO 0.01 -0.77 2.29 0.52 -0.33 0.00 0.00 177.00 178.72 1t2r h MET 7 N 8.02 0.00 0.00 5.54 2.86 -1.57 0.18 114.93 129.96 1t2r h MET 7 Ca -0.44 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.20 1t2r h MET 7 Cb 1.21 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.87 1t2r h MET 7 CO 0.94 0.01 -0.00 0.82 1.06 0.00 0.00 176.91 179.73 1t2r h ILE 8 N 0.00 1.32 -0.52 -1.22 1.08 -1.83 -2.65 117.51 113.69 1t2r h ILE 8 Ca -0.00 -0.96 -0.02 0.00 -0.39 0.00 0.00 64.86 63.49 1t2r h ILE 8 Cb 0.03 1.97 -0.03 0.00 -3.07 0.00 0.00 36.82 35.73 1t2r h ILE 8 CO 0.00 0.25 0.25 -0.08 -0.69 0.00 0.00 178.15 177.88 1t2r h GLU 9 N -0.42 0.72 -0.37 2.37 4.81 -1.27 -0.59 114.58 119.83 1t2r h GLU 9 Ca -0.00 -0.08 0.06 0.00 -0.13 0.00 0.00 59.36 59.21 1t2r h GLU 9 Cb 0.41 -0.14 -0.06 0.00 0.63 0.00 0.00 28.75 29.60 1t2r h GLU 9 CO 0.00 0.55 0.03 -0.92 -0.73 0.00 0.00 179.01 177.95 1t2r h TYR 10 N 0.72 0.04 -0.30 0.92 3.20 -0.72 -0.33 116.97 120.51 1t2r h TYR 10 Ca 0.18 0.03 -0.13 0.00 3.14 0.00 0.00 58.73 61.95 1t2r h TYR 10 Cb 0.07 0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.36 1t2r h TYR 10 CO 0.01 -0.03 -0.34 -0.07 -1.64 0.00 0.00 178.16 176.08 1t2r h LEU 11 N 0.14 0.68 -0.32 2.82 4.07 -0.98 -1.45 115.31 120.26 1t2r h LEU 11 Ca 0.18 -0.28 0.03 0.00 0.08 0.00 0.00 57.88 57.89 1t2r h LEU 11 Cb 0.23 -0.19 -0.03 0.00 1.08 0.00 0.00 40.66 41.76 1t2r h LEU 11 CO -0.27 0.96 0.15 -0.33 -1.08 0.00 0.00 178.44 177.86 1t2r h GLU 12 N 0.55 0.30 0.00 1.13 5.08 -0.44 0.48 114.58 121.68 1t2r h GLU 12 Ca 0.06 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1t2r h GLU 12 Cb 0.84 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.03 1t2r h GLU 12 CO 0.07 0.20 -0.00 0.00 -1.00 0.00 0.00 179.01 178.28 1t2r h ARG 13 N 0.31 -0.01 0.00 2.33 3.08 -0.96 -1.68 114.38 117.45 1t2r h ARG 13 Ca 0.14 0.00 -0.29 0.00 0.07 0.00 0.00 59.98 59.90 1t2r h ARG 13 Cb 0.07 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.07 1t2r h ARG 13 CO -0.11 0.73 -2.07 1.19 -1.07 0.00 0.00 179.97 178.64 1t2r n PHE 14 N -4.74 0.00 -0.07 3.04 3.72 -0.56 -4.23 117.46 114.62 1t2r n PHE 14 Ca -0.09 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.17 1t2r n PHE 14 Cb 0.36 -0.72 -0.11 0.00 -0.94 0.00 0.00 39.48 38.07 1t2r n PHE 14 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 1t2r h SER 15 N -0.14 0.00 0.00 4.37 0.02 -1.32 -3.38 113.55 113.10 1t2r h SER 15 Ca -0.43 -0.79 -0.03 0.00 -0.84 0.00 0.00 61.79 59.70 1t2r h SER 15 Cb 1.61 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 64.14 1t2r h SER 15 CO -0.11 1.01 -1.97 0.18 -1.14 0.00 0.00 176.83 174.80 1t2r n LEU 16 N -4.60 0.00 -0.32 5.07 4.77 0.16 -4.96 117.00 117.12 1t2r n LEU 16 Ca -0.12 0.00 -0.04 0.00 -0.03 0.00 0.00 56.01 55.82 1t2r n LEU 16 Cb 0.45 0.03 -0.02 0.00 -2.33 0.00 0.00 43.42 41.56 1t2r n LEU 16 CO 0.27 0.03 -0.04 0.29 -1.33 0.00 0.00 177.39 176.62 1t2r n LYS 17 N -2.25 -1.43 -4.04 3.23 4.76 -0.87 -4.95 118.16 112.61 1t2r n LYS 17 Ca -0.06 0.56 -0.13 0.00 -2.87 0.00 0.00 58.31 55.81 1t2r n LYS 17 Cb 0.58 -4.72 -0.13 0.00 -1.84 0.00 0.00 35.03 28.92 1t2r n LYS 17 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1t2r s ALA 18 N -1.58 0.34 0.20 7.82 0.00 -0.69 -4.93 121.76 122.92 1t2r s ALA 18 Ca 0.00 -0.43 -0.30 0.00 0.00 0.00 0.00 51.96 51.23 1t2r s ALA 18 Cb 0.00 0.01 -0.09 0.00 0.00 0.00 0.00 23.12 23.04 1t2r s ALA 18 CO 0.00 -0.01 1.33 0.21 0.00 0.00 0.00 175.76 177.29 1t2r s LYS 19 N -0.83 4.37 -0.31 0.00 2.20 -1.26 -4.16 119.74 119.74 1t2r s LYS 19 Ca -0.06 2.09 -0.29 0.00 -0.36 0.00 0.00 55.97 57.35 1t2r s LYS 19 Cb -0.06 -3.18 -0.01 0.00 -1.51 0.00 0.00 37.83 33.07 1t2r s LYS 19 CO -0.00 -0.29 1.52 0.42 -0.36 0.00 0.00 175.35 176.64 1t2r s ILE 20 N 0.14 3.82 0.26 5.43 -1.09 -1.26 -4.91 121.20 123.58 1t2r s ILE 20 Ca 0.57 0.89 0.00 0.00 -2.23 0.00 0.00 60.65 59.89 1t2r s ILE 20 Cb -0.37 -3.94 0.00 0.00 -1.58 0.00 0.00 42.46 36.57 1t2r s ILE 20 CO 0.39 -0.48 0.04 0.59 -1.23 0.00 0.00 174.94 174.24 1t2r n ASN 21 N 8.65 2.55 0.20 3.58 4.13 -1.26 -5.01 115.26 128.09 1t2r n ASN 21 Ca 0.18 -2.07 0.07 0.00 1.68 0.00 0.00 54.58 54.43 1t2r n ASN 21 Cb 0.47 0.14 0.42 0.00 -1.54 0.00 0.00 39.78 39.27 1t2r n ASN 21 CO 0.00 0.00 0.00 0.78 0.28 0.00 0.00 177.26 178.32 1t2r h ASN 22 N 0.55 0.00 1.27 6.41 4.21 -1.94 -3.05 115.58 123.04 1t2r h ASN 22 Ca -0.20 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.31 1t2r h ASN 22 Cb 0.63 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.83 1t2r h ASN 22 CO 0.33 0.31 -0.70 0.74 -1.29 0.00 0.00 177.43 176.83 1t2r h THR 23 N 0.00 0.00 -3.11 2.81 2.02 -1.97 -3.46 112.91 109.20 1t2r h THR 23 Ca -0.00 -0.97 -0.58 0.00 0.77 0.00 0.00 66.41 65.63 1t2r h THR 23 Cb 0.74 1.61 -0.06 0.00 -1.74 0.00 0.00 68.15 68.70 1t2r h THR 23 CO 0.04 0.00 0.77 0.42 0.37 0.00 0.00 175.52 177.12 1t2r s THR 24 N -3.31 4.69 -0.55 3.16 -4.23 -1.15 -4.99 115.64 109.27 1t2r s THR 24 Ca 0.02 1.98 -0.20 0.00 -1.18 0.00 0.00 61.69 62.30 1t2r s THR 24 Cb 0.09 -4.29 0.07 0.00 1.34 0.00 0.00 72.50 69.70 1t2r s THR 24 CO 0.75 -0.18 0.73 0.20 -0.54 0.00 0.00 174.62 175.58 1t2r s ASN 25 N 1.22 6.23 0.57 3.99 -0.87 -1.26 -4.76 114.94 120.06 1t2r s ASN 25 Ca 0.43 -0.94 0.29 0.00 -1.57 0.00 0.00 52.86 51.08 1t2r s ASN 25 Cb -0.15 -2.33 1.70 0.00 -0.02 0.00 0.00 41.25 40.45 1t2r s ASN 25 CO 0.06 -1.05 2.19 -0.07 -2.57 0.00 0.00 177.10 175.66 1t2r h LEU 26 N 10.13 0.00 -0.88 0.60 4.07 -1.94 -3.15 115.31 124.15 1t2r h LEU 26 Ca -0.28 0.00 0.23 0.00 0.08 0.00 0.00 57.88 57.91 1t2r h LEU 26 Cb 1.09 0.00 -0.14 0.00 1.08 0.00 0.00 40.66 42.69 1t2r h LEU 26 CO 1.03 0.05 0.28 -0.78 -1.08 0.00 0.00 178.44 177.94 1t2r h ASP 27 N 0.00 0.10 -0.71 -0.43 3.58 -1.90 0.59 116.42 117.65 1t2r h ASP 27 Ca -0.00 0.18 0.07 0.00 0.42 0.00 0.00 57.03 57.70 1t2r h ASP 27 Cb 0.14 0.22 -0.06 0.00 1.72 0.00 0.00 39.33 41.35 1t2r h ASP 27 CO 0.01 -0.11 0.40 1.88 -2.88 0.00 0.00 179.24 178.54 1t2r h TYR 28 N 0.26 0.73 0.02 0.28 0.05 -1.99 -1.98 116.97 114.35 1t2r h TYR 28 Ca 0.55 0.03 -0.39 0.00 0.05 0.00 0.00 58.73 58.96 1t2r h TYR 28 Cb 1.09 -0.22 -0.06 0.00 1.01 0.00 0.00 36.73 38.55 1t2r h TYR 28 CO -0.22 0.34 -2.36 0.43 -1.05 0.00 0.00 178.16 175.29 1t2r n SER 29 N -4.77 1.99 0.26 3.88 7.64 -0.84 -4.37 113.62 117.42 1t2r n SER 29 Ca 0.10 0.04 0.11 0.00 1.01 0.00 0.00 58.87 60.12 1t2r n SER 29 Cb 0.20 -0.59 0.73 0.00 -1.01 0.00 0.00 64.21 63.54 1t2r n SER 29 CO 0.00 0.00 0.00 0.08 -3.01 0.00 0.00 175.04 172.11 1t2r h ARG 30 N -0.23 0.00 -0.94 1.43 0.11 -0.90 0.17 114.38 114.03 1t2r h ARG 30 Ca -0.57 0.00 0.05 0.00 0.10 0.00 0.00 59.98 59.56 1t2r h ARG 30 Cb 1.84 0.00 -0.06 0.00 1.11 0.00 0.00 29.97 32.86 1t2r h ARG 30 CO -0.13 0.00 0.61 -0.09 0.10 0.00 0.00 179.97 180.46 1t2r h ARG 31 N 0.00 1.10 0.00 0.08 2.43 -1.55 0.19 114.38 116.62 1t2r h ARG 31 Ca 0.01 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 1t2r h ARG 31 Cb 0.05 -0.25 0.00 0.00 -0.42 0.00 0.00 29.97 29.35 1t2r h ARG 31 CO -0.00 0.73 -0.15 0.74 -1.51 0.00 0.00 179.97 179.78 1t2r h PHE 32 N 1.13 0.00 0.00 2.20 0.04 -0.94 -3.21 116.94 116.16 1t2r h PHE 32 Ca 0.39 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.16 1t2r h PHE 32 Cb 0.09 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.24 1t2r h PHE 32 CO -0.00 0.00 -0.25 1.28 -0.60 0.00 0.00 178.31 178.74 1t2r n LEU 33 N -3.00 0.60 -0.30 1.54 4.77 -0.25 -4.12 117.00 116.24 1t2r n LEU 33 Ca 0.03 0.39 -0.00 0.00 -0.03 0.00 0.00 56.01 56.40 1t2r n LEU 33 Cb 0.53 -0.30 0.06 0.00 -2.33 0.00 0.00 43.42 41.38 1t2r n LEU 33 CO 0.35 -0.08 0.64 -0.33 -1.33 0.00 0.00 177.39 176.64 1t2r h GLU 34 N 0.00 -0.04 0.00 3.23 5.08 -0.71 0.20 114.58 122.33 1t2r h GLU 34 Ca 0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1t2r h GLU 34 Cb 0.67 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.93 1t2r h GLU 34 CO 0.00 -0.03 -0.00 -1.35 -1.00 0.00 0.00 179.01 176.63 1t2r h PRO 35 N -0.04 0.00 0.19 2.33 0.11 -1.84 -0.53 132.00 132.22 1t2r h PRO 35 Ca 0.34 0.00 -0.31 0.00 0.11 0.00 0.00 66.00 66.15 1t2r h PRO 35 Cb 0.60 0.00 0.02 0.00 0.11 0.00 0.00 31.00 31.73 1t2r h PRO 35 CO -0.86 0.00 -1.36 0.35 -0.21 0.00 0.00 178.00 175.92 1t2r h PHE 36 N 0.00 0.74 0.00 0.65 3.57 -1.01 -3.20 116.94 117.68 1t2r h PHE 36 Ca -0.00 -0.54 -0.01 0.00 3.53 0.00 0.00 57.97 60.95 1t2r h PHE 36 Cb 0.01 -0.03 -0.00 0.00 2.79 0.00 0.00 35.95 38.72 1t2r h PHE 36 CO 0.00 1.42 -0.03 -0.07 -2.23 0.00 0.00 178.31 177.40 1t2r h LEU 37 N 0.11 0.00 -8.86 0.59 -0.00 0.22 -3.42 115.31 103.95 1t2r h LEU 37 Ca -0.20 0.00 -0.58 0.00 -0.00 0.00 0.00 57.88 57.11 1t2r h LEU 37 Cb 2.07 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 42.70 1t2r h LEU 37 CO 0.24 0.03 1.27 -0.60 -0.00 0.00 0.00 178.44 179.38 1t2r s ARG 38 N -3.84 3.35 0.00 1.13 3.52 -0.30 -2.87 118.95 119.93 1t2r s ARG 38 Ca -0.01 1.41 0.00 0.00 -0.13 0.00 0.00 55.73 57.00 1t2r s ARG 38 Cb 0.10 -4.19 0.00 0.00 -1.56 0.00 0.00 34.95 29.31 1t2r s ARG 38 CO 0.53 -1.84 0.00 0.41 -0.81 0.00 0.00 175.30 173.58 1t2r n GLY 39 N 5.40 1.10 3.97 8.12 0.00 0.94 -4.98 105.19 119.75 1t2r n GLY 39 Ca 0.23 -0.07 -0.21 0.00 0.00 0.00 0.00 46.02 45.97 1t2r n GLY 39 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1t2r s ILE 40 N -2.00 3.09 -0.02 -0.61 -4.36 -1.08 -4.87 121.20 111.34 1t2r s ILE 40 Ca 0.00 -0.67 0.05 0.00 -0.26 0.00 0.00 60.65 59.77 1t2r s ILE 40 Cb 0.00 -3.13 -0.01 0.00 1.25 0.00 0.00 42.46 40.57 1t2r s ILE 40 CO 0.00 -0.09 -0.17 0.54 0.24 0.00 0.00 174.94 175.46 1t2r s ASN 41 N -4.36 2.03 0.00 4.36 2.20 -1.26 0.19 114.94 118.10 1t2r s ASN 41 Ca 0.54 -0.32 0.04 0.00 -0.94 0.00 0.00 52.86 52.18 1t2r s ASN 41 Cb -0.10 -0.36 -0.01 0.00 -2.00 0.00 0.00 41.25 38.77 1t2r s ASN 41 CO 0.37 0.18 -0.11 0.68 -2.94 0.00 0.00 177.10 175.28 1t2r s VAL 42 N -0.22 0.89 -0.56 3.54 -7.23 -0.23 -4.26 120.40 112.34 1t2r s VAL 42 Ca 0.02 -0.58 -0.20 0.00 -1.81 0.00 0.00 61.98 59.41 1t2r s VAL 42 Cb -0.08 -0.77 0.08 0.00 0.56 0.00 0.00 36.38 36.17 1t2r s VAL 42 CO 0.00 0.18 0.71 -0.69 -0.31 0.00 0.00 175.10 174.99 1t2r s VAL 43 N -0.40 4.78 -0.29 1.32 1.01 0.48 -0.29 120.40 127.00 1t2r s VAL 43 Ca 0.03 -0.67 -0.22 0.00 0.00 0.00 0.00 61.98 61.12 1t2r s VAL 43 Cb -0.05 -4.43 -0.01 0.00 0.00 0.00 0.00 36.38 31.89 1t2r s VAL 43 CO -0.00 -1.02 0.69 -0.47 0.00 0.00 0.00 175.10 174.30 1t2r s TYR 44 N 2.84 3.24 -0.44 5.22 5.04 0.74 -0.89 117.35 133.10 1t2r s TYR 44 Ca 0.15 0.76 -0.10 0.00 -2.44 0.00 0.00 57.07 55.44 1t2r s TYR 44 Cb -0.21 -3.02 0.08 0.00 0.35 0.00 0.00 41.96 39.16 1t2r s TYR 44 CO 0.09 -0.45 0.30 0.99 -1.34 0.00 0.00 175.55 175.14 1t2r s THR 45 N 2.70 4.43 0.09 4.34 2.01 -0.56 -1.91 115.64 126.74 1t2r s THR 45 Ca 0.28 -1.40 -0.30 0.00 0.31 0.00 0.00 61.69 60.59 1t2r s THR 45 Cb -0.15 -3.73 -0.06 0.00 0.01 0.00 0.00 72.50 68.58 1t2r s THR 45 CO 0.11 -0.56 1.05 -2.84 -0.69 0.00 0.00 174.62 171.68 1t2r s PRO 46 N 1.46 4.59 0.75 4.92 0.02 -1.26 -4.82 135.00 140.66 1t2r s PRO 46 Ca 0.04 1.57 -0.15 0.00 0.02 0.00 0.00 61.00 62.47 1t2r s PRO 46 Cb -0.24 -3.36 -0.00 0.00 0.02 0.00 0.00 34.50 30.91 1t2r s PRO 46 CO 0.02 0.03 0.75 -0.35 -0.33 0.00 0.00 177.00 177.13 1t2r n PRO 47 N 3.15 0.31 0.00 5.54 -0.04 -1.26 -4.52 135.00 138.18 1t2r n PRO 47 Ca 0.04 0.16 0.04 0.00 -0.04 0.00 0.00 63.50 63.70 1t2r n PRO 47 Cb 0.48 -2.04 0.19 0.00 -0.04 0.00 0.00 33.50 32.09 1t2r n PRO 47 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1t2r n GLN 48 N -1.50 0.08 0.22 0.54 10.64 -1.26 -0.58 117.38 125.52 1t2r n GLN 48 Ca 0.11 0.25 0.12 0.00 -1.83 0.00 0.00 57.00 55.65 1t2r n GLN 48 Cb 0.50 -1.50 0.24 0.00 -0.86 0.00 0.00 30.24 28.62 1t2r n GLN 48 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 1t2r h SER 49 N 0.00 0.00 0.67 2.61 4.64 -1.88 -2.93 113.55 116.66 1t2r h SER 49 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1t2r h SER 49 Cb 0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 1t2r h SER 49 CO 0.00 0.05 -1.04 0.49 -0.87 0.00 0.00 176.83 175.46 1t2r n PHE 50 N -3.12 0.55 -2.83 4.77 3.01 0.25 -4.97 117.46 115.12 1t2r n PHE 50 Ca 0.03 0.16 -0.21 0.00 1.01 0.00 0.00 57.45 58.44 1t2r n PHE 50 Cb 0.51 -0.67 0.02 0.00 -0.01 0.00 0.00 39.48 39.33 1t2r n PHE 50 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 1t2r n GLN 51 N -2.28 -3.92 -3.74 -1.08 6.02 -1.11 -4.99 117.38 106.28 1t2r n GLN 51 Ca 0.01 0.90 -0.25 0.00 -0.01 0.00 0.00 57.00 57.65 1t2r n GLN 51 Cb 0.49 -5.65 0.00 0.00 1.02 0.00 0.00 30.24 26.11 1t2r n GLN 51 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1t2r s SER 52 N -2.56 4.72 0.07 1.08 0.15 -1.26 -5.08 113.70 110.82 1t2r s SER 52 Ca 0.22 -1.17 0.08 0.00 0.70 0.00 0.00 55.95 55.78 1t2r s SER 52 Cb -0.10 0.38 -0.03 0.00 -1.71 0.00 0.00 66.02 64.56 1t2r s SER 52 CO 0.27 -1.14 -0.22 0.00 1.20 0.00 0.00 173.24 173.35 1t2r s ALA 53 N -2.75 1.87 0.21 5.45 0.00 -1.26 -4.71 121.76 120.56 1t2r s ALA 53 Ca 0.39 -1.18 -0.32 0.00 0.00 0.00 0.00 51.96 50.85 1t2r s ALA 53 Cb -0.03 -0.32 -0.11 0.00 0.00 0.00 0.00 23.12 22.65 1t2r s ALA 53 CO 0.24 0.41 1.67 -1.25 0.00 0.00 0.00 175.76 176.83 1t2r s PRO 54 N -1.51 4.15 0.06 0.00 0.04 -1.25 -4.67 135.00 131.81 1t2r s PRO 54 Ca 0.08 2.54 0.03 0.00 0.04 0.00 0.00 61.00 63.69 1t2r s PRO 54 Cb -0.09 -3.09 -0.03 0.00 0.04 0.00 0.00 34.50 31.33 1t2r s PRO 54 CO 0.03 -0.70 -0.09 1.03 0.04 0.00 0.00 177.00 177.31 1t2r s ARG 55 N 0.99 0.63 -0.20 4.56 0.52 -0.80 -4.87 118.95 119.78 1t2r s ARG 55 Ca 0.72 -0.87 -0.24 0.00 -0.52 0.00 0.00 55.73 54.82 1t2r s ARG 55 Cb -0.48 -0.38 -0.01 0.00 0.52 0.00 0.00 34.95 34.59 1t2r s ARG 55 CO 0.33 0.07 0.78 0.08 0.02 0.00 0.00 175.30 176.58 1t2r s VAL 56 N -1.67 4.90 -0.02 3.52 1.01 -1.25 -0.19 120.40 126.71 1t2r s VAL 56 Ca -0.05 1.51 0.06 0.00 0.00 0.00 0.00 61.98 63.49 1t2r s VAL 56 Cb -0.08 -4.08 -0.01 0.00 0.00 0.00 0.00 36.38 32.20 1t2r s VAL 56 CO 0.00 0.02 -0.20 -0.31 0.00 0.00 0.00 175.10 174.61 1t2r s TYR 57 N 2.29 1.84 -0.52 5.22 2.02 0.60 -4.91 117.35 123.90 1t2r s TYR 57 Ca 0.35 -0.37 -0.25 0.00 -0.37 0.00 0.00 57.07 56.43 1t2r s TYR 57 Cb -0.16 -1.19 0.03 0.00 -0.40 0.00 0.00 41.96 40.25 1t2r s TYR 57 CO 0.10 -0.05 0.95 0.50 -1.57 0.00 0.00 175.55 175.49 1t2r s ARG 58 N -0.43 3.42 -0.12 -0.62 3.00 -1.26 -1.06 118.95 121.88 1t2r s ARG 58 Ca 0.07 -0.07 -0.30 0.00 -1.00 0.00 0.00 55.73 54.43 1t2r s ARG 58 Cb -0.08 -4.00 -0.02 0.00 0.00 0.00 0.00 34.95 30.84 1t2r s ARG 58 CO -0.00 -1.40 1.23 0.08 0.00 0.00 0.00 175.30 175.21 1t2r s VAL 59 N 3.94 4.28 0.14 7.11 1.01 0.13 -4.36 120.40 132.65 1t2r s VAL 59 Ca 0.34 1.57 0.06 0.00 0.00 0.00 0.00 61.98 63.95 1t2r s VAL 59 Cb -0.11 -4.01 -0.18 0.00 0.00 0.00 0.00 36.38 32.08 1t2r s VAL 59 CO 0.22 -0.08 1.33 -1.13 0.00 0.00 0.00 175.10 175.44 1t2r h ASN 60 N 7.87 0.07 0.00 3.32 -1.24 -0.72 0.27 115.58 125.15 1t2r h ASN 60 Ca -0.30 -0.07 0.00 0.00 0.71 0.00 0.00 56.30 56.65 1t2r h ASN 60 Cb 1.13 -0.02 0.00 0.00 0.73 0.00 0.00 38.32 40.16 1t2r h ASN 60 CO 0.93 0.97 0.00 0.61 -1.29 0.00 0.00 177.43 178.66 1t2r n GLY 61 N 1.14 -0.67 3.40 1.57 0.00 -1.00 -3.84 105.19 105.78 1t2r n GLY 61 Ca -0.01 -0.37 -0.21 0.00 0.00 0.00 0.00 46.02 45.43 1t2r n GLY 61 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1t2r s LEU 62 N 0.00 2.56 0.06 0.99 1.43 -1.26 -0.37 118.68 122.09 1t2r s LEU 62 Ca 0.00 -1.06 -0.16 0.00 -1.03 0.00 0.00 54.13 51.88 1t2r s LEU 62 Cb 0.00 -0.80 -0.06 0.00 0.03 0.00 0.00 46.19 45.36 1t2r s LEU 62 CO 0.00 -0.14 0.50 -0.94 0.23 0.00 0.00 176.35 176.00 1t2r s SER 63 N -3.40 6.90 0.00 2.29 1.04 -0.39 -4.62 113.70 115.51 1t2r s SER 63 Ca 0.26 1.09 0.30 0.00 0.48 0.00 0.00 55.95 58.08 1t2r s SER 63 Cb -0.01 -2.29 1.48 0.00 0.10 0.00 0.00 66.02 65.29 1t2r s SER 63 CO 0.10 0.25 2.03 -1.14 0.98 0.00 0.00 173.24 175.46 1t2r n ARG 64 N 1.50 0.44 -4.84 4.02 3.00 -1.26 -4.63 116.66 114.89 1t2r n ARG 64 Ca -0.10 -0.02 -0.25 0.00 -0.00 0.00 0.00 57.85 57.47 1t2r n ARG 64 Cb 0.52 -1.50 -0.15 0.00 0.00 0.00 0.00 32.46 31.32 1t2r n ARG 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1t2r s ALA 65 N -2.58 1.47 0.77 5.13 0.00 -1.26 -5.11 121.76 120.18 1t2r s ALA 65 Ca 0.28 -0.74 -0.11 0.00 0.00 0.00 0.00 51.96 51.39 1t2r s ALA 65 Cb 0.20 -0.40 0.05 0.00 0.00 0.00 0.00 23.12 22.98 1t2r s ALA 65 CO 0.47 0.34 1.09 -1.25 0.00 0.00 0.00 175.76 176.40 1t2r s PRO 66 N -0.32 2.30 0.37 0.00 0.04 -1.26 -4.37 135.00 131.76 1t2r s PRO 66 Ca 0.05 1.08 0.26 0.00 0.04 0.00 0.00 61.00 62.43 1t2r s PRO 66 Cb -0.08 -1.91 1.32 0.00 0.04 0.00 0.00 34.50 33.88 1t2r s PRO 66 CO -0.00 -1.59 1.80 0.00 0.04 0.00 0.00 177.00 177.25 1t2r h ALA 67 N -1.09 1.00 -0.00 8.56 0.00 -1.36 0.73 119.26 127.11 1t2r h ALA 67 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1t2r h ALA 67 Cb 1.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1t2r h ALA 67 CO 0.53 0.00 -0.25 -1.13 0.00 0.00 0.00 179.25 178.40 1t2r n SER 68 N -2.43 0.64 -0.04 0.00 3.41 -1.23 -1.56 113.62 112.41 1t2r n SER 68 Ca -0.01 -0.51 -0.02 0.00 -0.26 0.00 0.00 58.87 58.07 1t2r n SER 68 Cb 0.10 0.05 -0.10 0.00 -0.26 0.00 0.00 64.21 64.00 1t2r n SER 68 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1t2r n SER 69 N -1.03 1.88 -4.78 4.04 2.88 0.23 -4.90 113.62 111.93 1t2r n SER 69 Ca 0.11 0.00 -0.39 0.00 -1.33 0.00 0.00 58.87 57.26 1t2r n SER 69 Cb 0.32 1.10 -0.06 0.00 -0.75 0.00 0.00 64.21 64.82 1t2r n SER 69 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 1t2r s GLU 70 N -2.53 4.48 0.17 -1.46 0.41 -1.08 -5.00 118.70 113.69 1t2r s GLU 70 Ca -0.06 1.06 0.06 0.00 -0.41 0.00 0.00 54.97 55.63 1t2r s GLU 70 Cb 0.05 -3.24 -0.04 0.00 -1.78 0.00 0.00 34.13 29.12 1t2r s GLU 70 CO 0.54 0.58 -0.13 0.95 -0.49 0.00 0.00 175.26 176.71 1t2r s THR 71 N -1.15 1.46 0.03 3.63 -4.23 -1.26 -1.07 115.64 113.05 1t2r s THR 71 Ca 0.34 -2.10 -0.08 0.00 -1.18 0.00 0.00 61.69 58.68 1t2r s THR 71 Cb -0.22 -1.91 -0.00 0.00 1.34 0.00 0.00 72.50 71.71 1t2r s THR 71 CO 0.25 -0.64 0.16 0.72 -0.54 0.00 0.00 174.62 174.56 1t2r s PHE 72 N -3.02 0.08 -0.41 3.99 -0.71 0.04 -4.92 117.98 113.03 1t2r s PHE 72 Ca 0.19 -0.27 -0.25 0.00 -1.04 0.00 0.00 56.93 55.56 1t2r s PHE 72 Cb 0.00 -0.06 0.02 0.00 -1.21 0.00 0.00 43.02 41.77 1t2r s PHE 72 CO 0.04 -0.37 0.87 -2.00 -1.34 0.00 0.00 175.22 172.42 1t2r s GLU 73 N -2.16 3.66 -0.38 1.99 2.12 -1.26 -0.90 118.70 121.78 1t2r s GLU 73 Ca -0.08 0.28 -0.02 0.00 0.36 0.00 0.00 54.97 55.51 1t2r s GLU 73 Cb -0.03 -3.86 0.10 0.00 0.26 0.00 0.00 34.13 30.59 1t2r s GLU 73 CO -0.02 -1.03 0.15 -1.58 -0.54 0.00 0.00 175.26 172.24 1t2r s HIS 74 N 3.43 3.56 -1.28 5.30 5.65 0.19 -4.70 115.29 127.44 1t2r s HIS 74 Ca 0.35 -2.40 -0.04 0.00 0.25 0.00 0.00 55.06 53.21 1t2r s HIS 74 Cb -0.12 -2.99 0.01 0.00 -1.18 0.00 0.00 32.58 28.30 1t2r s HIS 74 CO 0.21 -0.94 1.08 -0.25 -0.65 0.00 0.00 174.74 174.19 1t2r n ASP 75 N 4.55 -3.99 0.00 9.88 8.00 -1.26 -2.27 116.55 131.46 1t2r n ASP 75 Ca -0.03 -0.59 0.00 0.00 0.71 0.00 0.00 54.79 54.88 1t2r n ASP 75 Cb 0.42 -5.05 0.00 0.00 -0.02 0.00 0.00 41.12 36.46 1t2r n ASP 75 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1t2r n GLY 76 N -1.54 0.60 3.14 0.44 0.00 -1.26 -5.02 105.19 101.55 1t2r n GLY 76 Ca -0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.54 1t2r n GLY 76 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1t2r s LYS 77 N -0.14 2.92 -0.83 1.61 -0.14 -0.96 -5.06 119.74 117.13 1t2r s LYS 77 Ca 0.00 -0.81 -0.23 0.00 -1.36 0.00 0.00 55.97 53.57 1t2r s LYS 77 Cb 0.00 -2.44 0.07 0.00 -1.68 0.00 0.00 37.83 33.79 1t2r s LYS 77 CO 0.00 -0.11 1.19 0.15 -0.76 0.00 0.00 175.35 175.83 1t2r s LYS 78 N 1.05 3.37 0.01 1.68 1.02 -1.26 0.54 119.74 126.14 1t2r s LYS 78 Ca -0.02 -1.00 -0.01 0.00 0.02 0.00 0.00 55.97 54.96 1t2r s LYS 78 Cb -0.14 -4.67 -0.04 0.00 -0.52 0.00 0.00 37.83 32.46 1t2r s LYS 78 CO -0.07 -1.98 0.14 0.54 -0.92 0.00 0.00 175.35 173.06 1t2r s VAL 79 N 4.33 5.09 0.50 3.17 0.11 -0.08 -4.77 120.40 128.75 1t2r s VAL 79 Ca 0.33 -0.33 -0.19 0.00 -2.93 0.00 0.00 61.98 58.87 1t2r s VAL 79 Cb -0.08 -3.38 -0.08 0.00 -1.53 0.00 0.00 36.38 31.31 1t2r s VAL 79 CO 0.01 0.30 1.03 0.42 -3.33 0.00 0.00 175.10 173.54 1t2r s THR 80 N -1.30 3.86 0.27 5.04 -4.23 -1.26 -0.78 115.64 117.24 1t2r s THR 80 Ca 0.27 1.10 -0.00 0.00 -1.18 0.00 0.00 61.69 61.87 1t2r s THR 80 Cb -0.12 -3.46 0.25 0.00 1.34 0.00 0.00 72.50 70.51 1t2r s THR 80 CO 0.18 -0.31 1.79 0.40 -0.54 0.00 0.00 174.62 176.14 1t2r h ILE 81 N 1.37 0.80 -0.92 2.99 1.08 -0.91 -1.08 117.51 120.84 1t2r h ILE 81 Ca -0.49 -0.26 -0.00 0.00 -0.39 0.00 0.00 64.86 63.72 1t2r h ILE 81 Cb 1.22 -0.01 -0.04 0.00 -3.07 0.00 0.00 36.82 34.91 1t2r h ILE 81 CO 0.59 0.14 0.57 0.00 -0.69 0.00 0.00 178.15 178.75 1t2r h ALA 82 N 1.54 1.17 0.00 1.87 0.00 -1.56 -2.20 119.26 120.08 1t2r h ALA 82 Ca 0.47 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 55.18 1t2r h ALA 82 Cb 0.59 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1t2r h ALA 82 CO -0.32 0.61 -0.51 0.77 0.00 0.00 0.00 179.25 179.80 1t2r h SER 83 N 1.26 0.00 -0.66 0.00 0.02 -1.53 -2.37 113.55 110.28 1t2r h SER 83 Ca 0.33 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 61.23 1t2r h SER 83 Cb -0.08 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.44 1t2r h SER 83 CO -0.06 0.51 0.21 0.22 -1.14 0.00 0.00 176.83 176.56 1t2r h TYR 84 N 0.00 1.06 -0.66 3.45 3.20 -0.70 -1.21 116.97 122.10 1t2r h TYR 84 Ca -0.01 -0.11 -0.07 0.00 3.14 0.00 0.00 58.73 61.68 1t2r h TYR 84 Cb 1.06 -0.31 -0.03 0.00 1.54 0.00 0.00 36.73 39.00 1t2r h TYR 84 CO 0.00 0.86 0.13 0.74 -1.64 0.00 0.00 178.16 178.24 1t2r h PHE 85 N 0.95 1.15 -0.57 -3.82 0.04 -1.24 -2.42 116.94 111.04 1t2r h PHE 85 Ca 0.21 -0.15 0.02 0.00 2.80 0.00 0.00 57.97 60.85 1t2r h PHE 85 Cb 0.30 -0.32 -0.03 0.00 2.20 0.00 0.00 35.95 38.10 1t2r h PHE 85 CO 0.02 0.96 0.37 1.25 -0.60 0.00 0.00 178.31 180.31 1t2r h HIS 86 N 1.01 0.68 -0.17 -0.55 2.76 -1.03 0.19 115.15 118.05 1t2r h HIS 86 Ca 0.20 0.02 -0.06 0.00 -2.20 0.00 0.00 60.37 58.33 1t2r h HIS 86 Cb 0.41 -0.23 -0.01 0.00 1.55 0.00 0.00 27.41 29.13 1t2r h HIS 86 CO 0.03 0.41 -0.17 1.03 -1.30 0.00 0.00 177.93 177.93 1t2r h SER 87 N 0.72 0.26 -0.08 3.26 0.87 -0.77 -2.51 113.55 115.29 1t2r h SER 87 Ca 0.22 -0.06 -0.03 0.00 -1.23 0.00 0.00 61.79 60.68 1t2r h SER 87 Cb -0.01 -0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 61.86 1t2r h SER 87 CO -0.05 0.46 0.04 0.54 -0.53 0.00 0.00 176.83 177.29 1t2r n ARG 88 N -4.23 1.19 -1.96 2.24 3.00 0.58 -4.77 116.66 112.72 1t2r n ARG 88 Ca -0.01 -0.28 -0.19 0.00 -0.01 0.00 0.00 57.85 57.36 1t2r n ARG 88 Cb 0.31 -1.24 -0.05 0.00 0.00 0.00 0.00 32.46 31.48 1t2r n ARG 88 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 1t2r n ASN 89 N 0.27 -5.23 -3.71 0.55 4.13 -0.95 -4.75 115.26 105.57 1t2r n ASN 89 Ca 0.05 0.26 -0.29 0.00 1.68 0.00 0.00 54.58 56.28 1t2r n ASN 89 Cb 0.53 -4.52 -0.12 0.00 -1.54 0.00 0.00 39.78 34.13 1t2r n ASN 89 CO 0.00 0.00 0.00 -0.47 0.28 0.00 0.00 177.26 177.07 1t2r s TYR 90 N -2.77 2.30 -0.07 3.10 5.04 -0.57 -5.01 117.35 119.36 1t2r s TYR 90 Ca 0.00 -2.70 -0.30 0.00 -2.44 0.00 0.00 57.07 51.63 1t2r s TYR 90 Cb 0.00 -1.96 -0.04 0.00 0.35 0.00 0.00 41.96 40.31 1t2r s TYR 90 CO 0.00 -0.72 1.37 -1.25 -1.34 0.00 0.00 175.55 173.61 1t2r s PRO 91 N -0.25 4.26 0.06 4.97 0.04 -1.26 -2.40 135.00 140.42 1t2r s PRO 91 Ca 0.23 1.87 -0.31 0.00 0.04 0.00 0.00 61.00 62.82 1t2r s PRO 91 Cb -0.13 -3.71 -0.10 0.00 0.04 0.00 0.00 34.50 30.60 1t2r s PRO 91 CO -0.09 -0.65 1.91 1.28 0.04 0.00 0.00 177.00 179.50 1t2r n LEU 92 N 6.08 4.05 -0.15 -3.56 4.77 -1.26 -4.86 117.00 122.07 1t2r n LEU 92 Ca 0.14 0.94 -0.01 0.00 -0.03 0.00 0.00 56.01 57.05 1t2r n LEU 92 Cb 0.44 -1.52 0.23 0.00 -2.33 0.00 0.00 43.42 40.25 1t2r n LEU 92 CO 0.58 0.16 1.09 0.11 -1.33 0.00 0.00 177.39 178.01 1t2r h LYS 93 N 9.69 0.86 -2.57 3.23 1.57 -2.01 -3.35 116.57 123.99 1t2r h LYS 93 Ca -0.48 -0.11 -0.59 0.00 -1.87 0.00 0.00 60.65 57.59 1t2r h LYS 93 Cb 1.24 -0.16 -0.39 0.00 0.08 0.00 0.00 32.23 33.00 1t2r h LYS 93 CO 0.94 0.67 -0.87 -0.06 -0.57 0.00 0.00 179.45 179.57 1t2r s PHE 94 N -5.48 1.48 -0.35 -1.35 0.08 -1.26 -4.90 117.98 106.20 1t2r s PHE 94 Ca -0.10 -2.37 0.17 0.00 0.12 0.00 0.00 56.93 54.75 1t2r s PHE 94 Cb 0.17 -1.28 0.95 0.00 -0.57 0.00 0.00 43.02 42.29 1t2r s PHE 94 CO 0.79 -0.78 1.54 -2.30 -0.10 0.00 0.00 175.22 174.36 1t2r n PRO 95 N 2.99 0.11 -0.07 0.24 -0.02 -1.26 -1.63 135.00 135.36 1t2r n PRO 95 Ca 0.23 0.61 0.02 0.00 -2.02 0.00 0.00 63.50 62.34 1t2r n PRO 95 Cb 0.43 -1.88 0.05 0.00 -0.02 0.00 0.00 33.50 32.08 1t2r n PRO 95 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1t2r n GLN 96 N -2.11 1.30 -2.68 -0.52 3.00 -1.26 -3.47 117.38 111.64 1t2r n GLN 96 Ca -0.01 -0.40 -0.42 0.00 -0.01 0.00 0.00 57.00 56.15 1t2r n GLN 96 Cb 0.03 -1.17 -0.03 0.00 0.00 0.00 0.00 30.24 29.07 1t2r n GLN 96 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 1t2r s LEU 97 N -0.91 4.36 -0.04 1.08 1.43 -0.65 -4.71 118.68 119.25 1t2r s LEU 97 Ca 0.07 1.68 -0.30 0.00 -1.03 0.00 0.00 54.13 54.56 1t2r s LEU 97 Cb 0.04 -3.57 -0.02 0.00 0.03 0.00 0.00 46.19 42.67 1t2r s LEU 97 CO 0.05 -0.29 1.02 -1.00 0.23 0.00 0.00 176.35 176.35 1t2r s HIS 98 N 1.07 3.56 0.68 0.29 3.76 -1.26 -1.29 115.29 122.10 1t2r s HIS 98 Ca 0.52 1.61 -0.11 0.00 -0.15 0.00 0.00 55.06 56.93 1t2r s HIS 98 Cb -0.22 -3.18 0.01 0.00 1.11 0.00 0.00 32.58 30.30 1t2r s HIS 98 CO 0.28 -0.25 1.06 0.00 -0.85 0.00 0.00 174.74 174.98 1t2r s LEU 100 N -5.29 4.47 -0.61 0.00 1.02 1.00 -1.26 118.68 118.00 1t2r s LEU 100 Ca 0.57 1.42 -0.24 0.00 0.02 0.00 0.00 54.13 55.90 1t2r s LEU 100 Cb -0.11 -3.17 0.05 0.00 0.02 0.00 0.00 46.19 42.98 1t2r s LEU 100 CO 0.51 0.07 0.98 0.21 0.02 0.00 0.00 176.35 178.14 1t2r s ASN 101 N -0.28 6.25 0.05 2.29 3.84 0.50 -0.42 114.94 127.17 1t2r s ASN 101 Ca 0.36 -0.63 0.00 0.00 0.21 0.00 0.00 52.86 52.81 1t2r s ASN 101 Cb -0.20 -2.44 -0.00 0.00 -0.55 0.00 0.00 41.25 38.06 1t2r s ASN 101 CO 0.22 -1.37 0.01 1.33 -2.79 0.00 0.00 177.10 174.50 1t2r n VAL 102 N 6.09 0.00 0.00 -5.21 0.24 0.44 -0.10 118.33 119.79 1t2r n VAL 102 Ca -0.01 -0.25 0.00 0.00 -2.04 0.00 0.00 64.34 62.04 1t2r n VAL 102 Cb 0.47 0.07 0.00 0.00 -1.47 0.00 0.00 33.84 32.90 1t2r n VAL 102 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1t2r n GLY 103 N 3.33 1.11 2.80 7.63 0.00 -1.26 -1.55 105.19 117.25 1t2r n GLY 103 Ca -0.02 -1.05 -0.10 0.00 0.00 0.00 0.00 46.02 44.85 1t2r n GLY 103 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1t2r n SER 104 N 1.72 -1.32 -0.14 1.61 7.64 0.15 -4.92 113.62 118.36 1t2r n SER 104 Ca 0.00 -2.45 -0.08 0.00 1.01 0.00 0.00 58.87 57.35 1t2r n SER 104 Cb 0.00 2.36 0.00 0.00 -1.01 0.00 0.00 64.21 65.56 1t2r n SER 104 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 1t2r h SER 105 N 1.58 0.53 -0.00 6.43 4.64 -2.01 -2.89 113.55 121.84 1t2r h SER 105 Ca -0.23 -0.08 -0.00 0.00 -0.47 0.00 0.00 61.79 61.01 1t2r h SER 105 Cb 0.97 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.92 1t2r h SER 105 CO 0.31 0.46 -0.01 0.40 -0.87 0.00 0.00 176.83 177.12 1t2r h ILE 106 N 0.57 1.53 -3.77 0.95 2.04 -2.00 -3.37 117.51 113.46 1t2r h ILE 106 Ca 0.15 -1.56 -0.78 0.00 1.00 0.00 0.00 64.86 63.68 1t2r h ILE 106 Cb 0.03 2.58 -0.27 0.00 -0.74 0.00 0.00 36.82 38.43 1t2r h ILE 106 CO -0.03 0.41 0.03 -0.75 0.00 0.00 0.00 178.15 177.81 1t2r s LYS 107 N -3.56 3.45 -0.46 2.37 2.47 -1.22 -5.02 119.74 117.77 1t2r s LYS 107 Ca -0.17 -2.45 -0.24 0.00 -1.56 0.00 0.00 55.97 51.55 1t2r s LYS 107 Cb 0.00 -4.33 0.03 0.00 -1.46 0.00 0.00 37.83 32.06 1t2r s LYS 107 CO 0.68 -1.28 0.82 -1.12 0.16 0.00 0.00 175.35 174.62 1t2r s SER 108 N 2.01 6.43 -0.13 1.43 0.01 -1.09 0.34 113.70 122.69 1t2r s SER 108 Ca 0.17 -0.08 0.01 0.00 1.31 0.00 0.00 55.95 57.36 1t2r s SER 108 Cb -0.12 -2.40 -0.01 0.00 0.21 0.00 0.00 66.02 63.70 1t2r s SER 108 CO -0.08 -0.96 -0.16 0.27 0.41 0.00 0.00 173.24 172.72 1t2r s ILE 109 N 3.43 2.75 -0.33 1.44 -4.36 -0.60 -4.98 121.20 118.55 1t2r s ILE 109 Ca 0.31 -0.76 -0.16 0.00 -0.26 0.00 0.00 60.65 59.78 1t2r s ILE 109 Cb -0.12 -2.14 -0.02 0.00 1.25 0.00 0.00 42.46 41.44 1t2r s ILE 109 CO 0.23 0.53 0.40 -0.76 0.24 0.00 0.00 174.94 175.58 1t2r s LEU 110 N 0.44 4.33 -0.16 0.37 1.02 -1.25 -0.42 118.68 123.01 1t2r s LEU 110 Ca -0.12 -0.07 -0.04 0.00 0.02 0.00 0.00 54.13 53.93 1t2r s LEU 110 Cb -0.16 -2.41 -0.03 0.00 0.02 0.00 0.00 46.19 43.61 1t2r s LEU 110 CO 0.05 -0.34 -0.03 -0.76 0.02 0.00 0.00 176.35 175.30 1t2r s LEU 111 N 2.12 3.27 -0.12 1.79 1.43 0.44 -4.78 118.68 122.83 1t2r s LEU 111 Ca 0.14 -0.13 -0.32 0.00 -1.03 0.00 0.00 54.13 52.79 1t2r s LEU 111 Cb -0.16 -1.79 -0.10 0.00 0.03 0.00 0.00 46.19 44.17 1t2r s LEU 111 CO 0.12 0.16 2.00 -0.81 0.23 0.00 0.00 176.35 178.05 1t2r n PRO 112 N 3.58 2.14 0.33 1.29 -0.04 -1.26 -0.00 135.00 141.04 1t2r n PRO 112 Ca -0.17 0.74 0.21 0.00 -0.04 0.00 0.00 63.50 64.23 1t2r n PRO 112 Cb 0.52 -2.81 1.14 0.00 -0.04 0.00 0.00 33.50 32.31 1t2r n PRO 112 CO 0.00 0.00 0.00 0.97 -0.04 0.00 0.00 175.50 176.43 1t2r h ILE 113 N 6.01 0.14 -0.68 0.52 2.10 -1.93 -1.28 117.51 122.40 1t2r h ILE 113 Ca -0.45 -0.01 -0.01 0.00 1.08 0.00 0.00 64.86 65.47 1t2r h ILE 113 Cb 1.27 1.01 -0.03 0.00 -1.09 0.00 0.00 36.82 37.97 1t2r h ILE 113 CO 0.96 0.00 0.40 -0.08 -1.08 0.00 0.00 178.15 178.35 1t2r h GLU 114 N 0.00 0.92 -0.00 2.19 4.57 -1.94 -2.91 114.58 117.40 1t2r h GLU 114 Ca -0.00 -0.08 0.00 0.00 -1.18 0.00 0.00 59.36 58.10 1t2r h GLU 114 Cb 0.01 -0.19 0.00 0.00 -0.16 0.00 0.00 28.75 28.41 1t2r h GLU 114 CO 0.00 0.66 -0.24 1.28 -1.18 0.00 0.00 179.01 179.53 1t2r n LEU 115 N -4.39 0.67 -4.64 1.64 4.77 -0.48 -4.73 117.00 109.83 1t2r n LEU 115 Ca 0.07 -0.07 -0.37 0.00 -0.03 0.00 0.00 56.01 55.60 1t2r n LEU 115 Cb 0.08 -0.19 -0.09 0.00 -2.33 0.00 0.00 43.42 40.88 1t2r n LEU 115 CO 0.37 0.13 -0.10 0.00 -1.33 0.00 0.00 177.39 176.46 1t2r s SER 117 N 1.23 6.18 -0.53 0.00 0.01 -0.06 -1.97 113.70 118.56 1t2r s SER 117 Ca 0.10 -0.58 -0.27 0.00 1.31 0.00 0.00 55.95 56.50 1t2r s SER 117 Cb -0.14 -2.21 -0.01 0.00 0.21 0.00 0.00 66.02 63.88 1t2r s SER 117 CO 0.07 -0.49 1.65 -0.51 0.41 0.00 0.00 173.24 174.37 1t2r s ILE 118 N 2.03 3.57 -0.02 1.44 2.07 0.88 -0.39 121.20 130.78 1t2r s ILE 118 Ca 0.11 0.47 -0.02 0.00 -1.41 0.00 0.00 60.65 59.80 1t2r s ILE 118 Cb -0.17 -4.09 -0.04 0.00 0.13 0.00 0.00 42.46 38.29 1t2r s ILE 118 CO 0.12 -0.91 0.12 -1.61 -1.91 0.00 0.00 174.94 170.75 1t2r s GLU 119 N 6.07 3.21 0.19 3.50 2.02 -1.26 -1.26 118.70 131.17 1t2r s GLU 119 Ca 0.64 -0.40 0.17 0.00 0.02 0.00 0.00 54.97 55.39 1t2r s GLU 119 Cb -0.14 -2.96 0.80 0.00 0.10 0.00 0.00 34.13 31.93 1t2r s GLU 119 CO 0.25 0.67 1.51 -0.85 0.02 0.00 0.00 175.26 176.86 1t2r n GLU 120 N 1.18 0.11 0.00 1.61 0.28 -0.48 -4.82 120.64 118.52 1t2r n GLU 120 Ca -0.13 0.50 0.00 0.00 -0.16 0.00 0.00 57.16 57.37 1t2r n GLU 120 Cb 0.53 -1.78 0.00 0.00 1.43 0.00 0.00 31.44 31.62 1t2r n GLU 120 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1t2r n GLY 121 N -0.81 2.27 0.19 -1.84 0.00 -1.26 -4.65 105.19 99.09 1t2r n GLY 121 Ca 0.00 -0.45 0.03 0.00 0.00 0.00 0.00 46.02 45.61 1t2r n GLY 121 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1t2r h GLN 122 N 0.00 0.00 0.00 1.61 4.20 -1.98 -3.52 115.11 115.42 1t2r h GLN 122 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1t2r h GLN 122 Cb 0.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.78 1t2r h GLN 122 CO 0.00 0.34 0.00 0.00 -0.67 0.00 0.00 178.83 178.50