#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 3.19 -0.19 4.61 0.00 -1.26 -4.94 121.76 123.17 1t2r s ALA 2 Ca 0.00 0.56 -0.02 0.00 0.00 0.00 0.00 51.96 52.49 1t2r s ALA 2 Cb 0.00 -3.20 0.02 0.00 0.00 0.00 0.00 23.12 19.94 1t2r s ALA 2 CO 0.00 0.10 2.51 -1.33 0.00 0.00 0.00 175.76 177.04 1t2r n MET 3 N 0.42 1.73 -3.35 0.00 0.00 -1.26 -4.86 117.12 109.80 1t2r n MET 3 Ca 0.03 -1.15 -0.42 0.00 0.00 0.00 0.00 57.70 56.15 1t2r n MET 3 Cb 0.50 -1.63 -0.09 0.00 0.00 0.00 0.00 33.22 32.00 1t2r n MET 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1t2r s ALA 4 N -0.68 3.45 -0.16 3.04 0.00 -1.26 -1.72 121.76 124.42 1t2r s ALA 4 Ca 0.35 -1.45 -0.12 0.00 0.00 0.00 0.00 51.96 50.75 1t2r s ALA 4 Cb 0.22 -2.98 -0.05 0.00 0.00 0.00 0.00 23.12 20.31 1t2r s ALA 4 CO -0.04 -1.44 0.22 -1.64 0.00 0.00 0.00 175.76 172.85 1t2r s MET 5 N 2.07 4.12 0.09 0.00 1.00 0.83 -4.81 119.30 122.59 1t2r s MET 5 Ca 0.11 -0.03 -0.34 0.00 0.00 0.00 0.00 55.69 55.44 1t2r s MET 5 Cb -0.17 -3.39 -0.13 0.00 0.00 0.00 0.00 34.83 31.15 1t2r s MET 5 CO 0.13 0.35 1.70 -2.30 0.00 0.00 0.00 175.02 174.89 1t2r n PRO 6 N 3.28 2.25 0.26 2.03 -0.02 -1.26 0.38 135.00 141.91 1t2r n PRO 6 Ca -0.14 0.82 0.10 0.00 -2.02 0.00 0.00 63.50 62.26 1t2r n PRO 6 Cb 0.52 -2.62 0.70 0.00 -0.02 0.00 0.00 33.50 32.08 1t2r n PRO 6 CO 0.00 0.00 0.00 0.52 1.98 0.00 0.00 175.50 178.00 1t2r h MET 7 N 7.21 0.00 -0.16 -0.52 2.86 -0.91 0.28 114.93 123.69 1t2r h MET 7 Ca -0.46 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.11 1t2r h MET 7 Cb 1.25 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.91 1t2r h MET 7 CO 0.91 0.08 -0.17 0.82 1.06 0.00 0.00 176.91 179.62 1t2r h ILE 8 N 0.00 1.34 -0.47 -1.22 1.08 -1.82 -2.52 117.51 113.90 1t2r h ILE 8 Ca -0.00 -1.34 -0.01 0.00 -0.39 0.00 0.00 64.86 63.12 1t2r h ILE 8 Cb 0.18 1.86 -0.02 0.00 -3.07 0.00 0.00 36.82 35.76 1t2r h ILE 8 CO 0.01 0.40 0.25 -0.08 -0.69 0.00 0.00 178.15 178.03 1t2r h GLU 9 N 0.03 0.65 -0.23 2.37 4.57 -1.40 -0.49 114.58 120.07 1t2r h GLU 9 Ca 0.02 -0.07 -0.00 0.00 -1.18 0.00 0.00 59.36 58.14 1t2r h GLU 9 Cb 0.71 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 29.15 1t2r h GLU 9 CO 0.04 0.49 0.14 -0.92 -1.18 0.00 0.00 179.01 177.58 1t2r h TYR 10 N 0.65 0.30 -0.19 0.92 3.20 -0.46 -2.51 116.97 118.89 1t2r h TYR 10 Ca 0.17 -0.00 -0.13 0.00 3.14 0.00 0.00 58.73 61.91 1t2r h TYR 10 Cb 0.04 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.20 1t2r h TYR 10 CO 0.00 0.23 -0.42 -0.07 -1.64 0.00 0.00 178.16 176.26 1t2r h LEU 11 N 0.28 0.46 -0.26 2.82 3.38 -0.94 -1.38 115.31 119.68 1t2r h LEU 11 Ca 0.08 -0.21 0.05 0.00 0.09 0.00 0.00 57.88 57.89 1t2r h LEU 11 Cb 0.02 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 40.59 1t2r h LEU 11 CO -0.02 0.83 -0.03 -0.33 0.09 0.00 0.00 178.44 178.99 1t2r h GLU 12 N 0.36 0.04 0.07 1.13 5.08 -0.89 0.13 114.58 120.51 1t2r h GLU 12 Ca 0.03 -0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.26 1t2r h GLU 12 Cb 0.89 -0.01 0.01 0.00 0.50 0.00 0.00 28.75 30.15 1t2r h GLU 12 CO 0.08 0.03 -0.56 0.00 -1.00 0.00 0.00 179.01 177.55 1t2r h ARG 13 N 0.04 0.25 0.00 2.33 3.08 -1.32 -0.56 114.38 118.21 1t2r h ARG 13 Ca 0.13 -0.37 -0.37 0.00 0.07 0.00 0.00 59.98 59.44 1t2r h ARG 13 Cb 0.18 0.13 -0.07 0.00 0.08 0.00 0.00 29.97 30.29 1t2r h ARG 13 CO -0.24 1.13 -2.35 1.19 -1.07 0.00 0.00 179.97 178.64 1t2r n PHE 14 N -4.28 0.11 -0.11 3.04 3.72 -0.53 -4.08 117.46 115.33 1t2r n PHE 14 Ca -0.12 0.03 -0.20 0.00 -0.05 0.00 0.00 57.45 57.11 1t2r n PHE 14 Cb 0.70 -1.02 -0.09 0.00 -0.94 0.00 0.00 39.48 38.13 1t2r n PHE 14 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1t2r n SER 15 N -2.90 1.89 -0.01 4.37 2.88 0.22 -4.59 113.62 115.48 1t2r n SER 15 Ca -0.35 0.42 0.11 0.00 -1.33 0.00 0.00 58.87 57.73 1t2r n SER 15 Cb 1.11 -0.89 -0.17 0.00 -0.75 0.00 0.00 64.21 63.52 1t2r n SER 15 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1t2r n LEU 16 N -4.41 0.00 -1.87 2.46 4.77 0.19 -4.95 117.00 113.18 1t2r n LEU 16 Ca -0.33 0.00 -0.21 0.00 -0.03 0.00 0.00 56.01 55.44 1t2r n LEU 16 Cb 0.66 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.69 1t2r n LEU 16 CO 0.13 0.00 -0.22 0.29 -1.33 0.00 0.00 177.39 176.26 1t2r n LYS 17 N -2.24 -1.52 -3.71 3.23 4.01 -0.37 -4.94 118.16 112.62 1t2r n LYS 17 Ca -0.04 1.14 -0.11 0.00 -0.51 0.00 0.00 58.31 58.79 1t2r n LYS 17 Cb 0.56 -5.62 -0.06 0.00 -0.51 0.00 0.00 35.03 29.40 1t2r n LYS 17 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1t2r s ALA 18 N -2.87 -0.77 -0.00 7.82 0.00 -0.36 -4.96 121.76 120.62 1t2r s ALA 18 Ca 0.00 -0.03 -0.28 0.00 0.00 0.00 0.00 51.96 51.64 1t2r s ALA 18 Cb 0.00 0.48 -0.04 0.00 0.00 0.00 0.00 23.12 23.56 1t2r s ALA 18 CO 0.00 -0.51 0.90 0.21 0.00 0.00 0.00 175.76 176.35 1t2r s LYS 19 N -3.15 4.54 0.28 0.00 2.20 -1.26 -4.23 119.74 118.12 1t2r s LYS 19 Ca -0.01 1.27 -0.30 0.00 -0.36 0.00 0.00 55.97 56.56 1t2r s LYS 19 Cb 0.01 -3.44 -0.12 0.00 -1.51 0.00 0.00 37.83 32.77 1t2r s LYS 19 CO -0.07 0.03 1.56 -0.89 -0.36 0.00 0.00 175.35 175.61 1t2r n ILE 20 N 3.69 0.96 -4.21 5.43 2.08 -1.26 -5.00 119.36 121.04 1t2r n ILE 20 Ca 0.03 -0.24 -0.15 0.00 0.56 0.00 0.00 62.75 62.95 1t2r n ILE 20 Cb 0.51 -1.85 -0.08 0.00 -0.75 0.00 0.00 39.64 37.47 1t2r n ILE 20 CO 0.00 0.00 0.00 0.21 0.56 0.00 0.00 176.55 177.32 1t2r s ASN 21 N 0.48 0.84 0.34 4.38 2.47 -1.26 -5.03 114.94 117.16 1t2r s ASN 21 Ca 0.66 -1.53 0.02 0.00 0.42 0.00 0.00 52.86 52.43 1t2r s ASN 21 Cb -0.53 0.49 0.63 0.00 -1.45 0.00 0.00 41.25 40.39 1t2r s ASN 21 CO 0.48 -1.00 1.99 -1.13 -3.72 0.00 0.00 177.10 173.72 1t2r h ASN 22 N 2.35 0.75 0.20 -4.21 -0.00 -1.94 -2.58 115.58 110.16 1t2r h ASN 22 Ca -0.30 -0.01 0.00 0.00 -0.00 0.00 0.00 56.30 55.99 1t2r h ASN 22 Cb 1.24 -0.18 0.00 0.00 -0.00 0.00 0.00 38.32 39.38 1t2r h ASN 22 CO 0.44 0.53 -0.11 0.35 -0.00 0.00 0.00 177.43 178.64 1t2r n THR 23 N -4.45 0.00 -3.13 -3.57 -2.24 -1.26 -4.78 114.28 94.85 1t2r n THR 23 Ca 0.08 -0.11 -0.41 0.00 -2.27 0.00 0.00 64.05 61.34 1t2r n THR 23 Cb 0.09 0.12 -0.07 0.00 -2.10 0.00 0.00 70.33 68.37 1t2r n THR 23 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1t2r s THR 24 N -2.32 4.99 -0.58 4.28 -4.23 -0.97 -5.01 115.64 111.79 1t2r s THR 24 Ca 0.32 1.04 -0.26 0.00 -1.18 0.00 0.00 61.69 61.61 1t2r s THR 24 Cb 0.20 -3.93 0.04 0.00 1.34 0.00 0.00 72.50 70.15 1t2r s THR 24 CO 0.44 0.01 1.05 0.20 -0.54 0.00 0.00 174.62 175.78 1t2r s ASN 25 N 1.52 6.35 0.48 3.99 -0.87 -1.26 -4.77 114.94 120.38 1t2r s ASN 25 Ca 0.25 -0.25 0.18 0.00 -1.57 0.00 0.00 52.86 51.47 1t2r s ASN 25 Cb -0.15 -2.48 1.20 0.00 -0.02 0.00 0.00 41.25 39.79 1t2r s ASN 25 CO 0.09 -1.37 2.03 0.25 -2.57 0.00 0.00 177.10 175.52 1t2r h LEU 26 N 11.47 0.17 -1.17 0.60 5.85 -1.96 -2.45 115.31 127.83 1t2r h LEU 26 Ca -0.26 0.00 0.24 0.00 0.84 0.00 0.00 57.88 58.71 1t2r h LEU 26 Cb 1.07 -0.03 -0.11 0.00 0.37 0.00 0.00 40.66 41.96 1t2r h LEU 26 CO 1.14 0.11 0.63 -0.78 -0.34 0.00 0.00 178.44 179.20 1t2r h ASP 27 N 0.19 0.59 0.41 1.25 3.58 -1.91 0.75 116.42 121.29 1t2r h ASP 27 Ca 0.20 0.10 0.00 0.00 0.42 0.00 0.00 57.03 57.76 1t2r h ASP 27 Cb 0.55 0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.61 1t2r h ASP 27 CO -0.03 0.13 0.00 -1.22 -2.88 0.00 0.00 179.24 175.24 1t2r n TYR 28 N -4.75 0.00 -0.03 0.28 4.01 -0.92 -1.40 117.16 114.34 1t2r n TYR 28 Ca 0.25 0.00 -0.06 0.00 -0.16 0.00 0.00 57.90 57.93 1t2r n TYR 28 Cb 0.77 -0.46 -0.03 0.00 -0.31 0.00 0.00 39.34 39.31 1t2r n TYR 28 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 1t2r n SER 29 N -1.46 1.97 -0.01 7.72 7.64 0.27 -4.84 113.62 124.92 1t2r n SER 29 Ca 0.04 0.03 0.03 0.00 1.01 0.00 0.00 58.87 59.98 1t2r n SER 29 Cb 0.14 -0.16 0.40 0.00 -1.01 0.00 0.00 64.21 63.59 1t2r n SER 29 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 1t2r h ARG 30 N -0.13 0.56 0.00 1.43 9.65 0.66 -0.02 114.38 126.53 1t2r h ARG 30 Ca -0.16 -0.04 -0.04 0.00 -1.10 0.00 0.00 59.98 58.63 1t2r h ARG 30 Cb 1.19 -0.12 -0.01 0.00 -1.39 0.00 0.00 29.97 29.64 1t2r h ARG 30 CO -0.07 0.40 -0.21 -0.09 2.80 0.00 0.00 179.97 182.80 1t2r h ARG 31 N 0.57 0.00 -0.01 0.20 2.43 -1.44 -1.95 114.38 114.18 1t2r h ARG 31 Ca 0.15 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.32 1t2r h ARG 31 Cb -0.02 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.53 1t2r h ARG 31 CO -0.03 0.21 -0.58 1.19 -1.51 0.00 0.00 179.97 179.26 1t2r n PHE 32 N -3.90 0.00 1.25 2.20 3.72 -0.08 -4.04 117.46 116.62 1t2r n PHE 32 Ca -0.02 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.52 1t2r n PHE 32 Cb 0.30 -0.04 0.50 0.00 -0.94 0.00 0.00 39.48 39.29 1t2r n PHE 32 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 1t2r n LEU 33 N -0.63 0.55 -0.24 4.37 4.77 -0.73 -4.32 117.00 120.76 1t2r n LEU 33 Ca 0.08 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 56.03 1t2r n LEU 33 Cb 0.40 -0.22 0.03 0.00 -2.33 0.00 0.00 43.42 41.31 1t2r n LEU 33 CO 0.32 0.11 0.65 -0.33 -1.33 0.00 0.00 177.39 176.81 1t2r h GLU 34 N 0.55 -0.09 -0.06 3.23 5.08 -1.69 0.23 114.58 121.82 1t2r h GLU 34 Ca 0.00 0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.38 1t2r h GLU 34 Cb 0.43 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.70 1t2r h GLU 34 CO 0.00 -0.06 0.08 -1.00 -1.00 0.00 0.00 179.01 177.03 1t2r h PRO 35 N -0.10 0.00 0.06 2.33 0.13 -1.91 0.19 132.00 132.70 1t2r h PRO 35 Ca 0.28 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 65.25 1t2r h PRO 35 Cb 0.55 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.68 1t2r h PRO 35 CO -0.74 0.00 -0.82 0.35 -0.23 0.00 0.00 178.00 176.56 1t2r h PHE 36 N 0.00 0.24 0.00 1.56 3.57 -1.31 -3.34 116.94 117.66 1t2r h PHE 36 Ca 0.03 -0.17 -0.04 0.00 3.53 0.00 0.00 57.97 61.32 1t2r h PHE 36 Cb 0.20 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 38.92 1t2r h PHE 36 CO 0.00 1.32 -0.17 -0.07 -2.23 0.00 0.00 178.31 177.16 1t2r h LEU 37 N -0.67 0.00 -8.15 0.59 -0.00 -0.38 -3.39 115.31 103.31 1t2r h LEU 37 Ca -0.18 0.00 -0.30 0.00 -0.00 0.00 0.00 57.88 57.40 1t2r h LEU 37 Cb 1.41 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 42.02 1t2r h LEU 37 CO 0.01 0.17 0.83 -0.60 -0.00 0.00 0.00 178.44 178.84 1t2r s ARG 38 N -4.18 2.50 0.00 1.13 3.52 0.60 -2.87 118.95 119.65 1t2r s ARG 38 Ca -0.03 -0.57 0.00 0.00 -0.13 0.00 0.00 55.73 55.00 1t2r s ARG 38 Cb 0.13 -5.12 0.00 0.00 -1.56 0.00 0.00 34.95 28.40 1t2r s ARG 38 CO 0.62 -3.62 0.00 0.41 -0.81 0.00 0.00 175.30 171.90 1t2r n GLY 39 N 6.50 0.92 3.75 8.12 0.00 0.89 -4.95 105.19 120.41 1t2r n GLY 39 Ca 0.42 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.19 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 -1.53 2.21 -0.14 -0.61 -4.36 -1.10 -4.93 121.20 110.75 1t2r s ILE 40 Ca 0.00 -1.70 0.01 0.00 -0.26 0.00 0.00 60.65 58.70 1t2r s ILE 40 Cb 0.00 -2.91 0.02 0.00 1.25 0.00 0.00 42.46 40.82 1t2r s ILE 40 CO 0.00 0.00 -0.16 0.20 0.24 0.00 0.00 174.94 175.22 1t2r s ASN 41 N -3.93 2.72 -0.09 4.36 0.01 -1.26 0.01 114.94 116.77 1t2r s ASN 41 Ca 0.39 -0.50 0.02 0.00 -0.71 0.00 0.00 52.86 52.05 1t2r s ASN 41 Cb 0.03 -1.22 -0.02 0.00 0.41 0.00 0.00 41.25 40.45 1t2r s ASN 41 CO 0.22 -0.01 -0.15 0.68 -1.51 0.00 0.00 177.10 176.33 1t2r s VAL 42 N 1.21 2.97 -0.63 1.60 -7.23 0.13 -3.88 120.40 114.58 1t2r s VAL 42 Ca -0.00 -0.72 -0.24 0.00 -1.81 0.00 0.00 61.98 59.21 1t2r s VAL 42 Cb -0.14 -2.20 0.06 0.00 0.56 0.00 0.00 36.38 34.65 1t2r s VAL 42 CO -0.07 0.55 0.99 -0.69 -0.31 0.00 0.00 175.10 175.58 1t2r s VAL 43 N -0.11 4.28 -0.12 1.32 1.01 0.11 -0.08 120.40 126.82 1t2r s VAL 43 Ca -0.02 -0.04 -0.25 0.00 0.00 0.00 0.00 61.98 61.67 1t2r s VAL 43 Cb -0.14 -4.66 -0.02 0.00 0.00 0.00 0.00 36.38 31.56 1t2r s VAL 43 CO 0.04 -1.38 0.78 -0.47 0.00 0.00 0.00 175.10 174.07 1t2r s TYR 44 N 4.22 3.50 -0.50 5.22 5.04 0.76 -0.47 117.35 135.11 1t2r s TYR 44 Ca 0.27 1.27 -0.16 0.00 -2.44 0.00 0.00 57.07 56.00 1t2r s TYR 44 Cb -0.14 -2.93 0.09 0.00 0.35 0.00 0.00 41.96 39.32 1t2r s TYR 44 CO 0.14 -0.09 0.48 0.99 -1.34 0.00 0.00 175.55 175.72 1t2r s THR 45 N 1.53 5.14 0.23 4.34 2.01 -0.15 -1.36 115.64 127.38 1t2r s THR 45 Ca 0.39 -1.06 -0.30 0.00 0.31 0.00 0.00 61.69 61.03 1t2r s THR 45 Cb -0.17 -4.23 -0.09 0.00 0.01 0.00 0.00 72.50 68.02 1t2r s THR 45 CO 0.16 -0.72 1.04 -2.84 -0.69 0.00 0.00 174.62 171.57 1t2r s PRO 46 N 1.87 4.70 0.27 4.92 0.02 -1.26 -4.83 135.00 140.68 1t2r s PRO 46 Ca 0.06 1.66 -0.30 0.00 0.02 0.00 0.00 61.00 62.44 1t2r s PRO 46 Cb -0.25 -3.26 -0.14 0.00 0.02 0.00 0.00 34.50 30.88 1t2r s PRO 46 CO 0.07 0.27 1.23 -2.30 -0.33 0.00 0.00 177.00 175.93 1t2r n PRO 47 N 1.73 1.73 0.19 5.54 -0.02 -1.26 -4.75 135.00 138.17 1t2r n PRO 47 Ca -0.00 0.61 0.13 0.00 -2.02 0.00 0.00 63.50 62.22 1t2r n PRO 47 Cb 0.46 -2.15 0.68 0.00 -0.02 0.00 0.00 33.50 32.47 1t2r n PRO 47 CO 0.00 0.00 0.00 -0.56 1.98 0.00 0.00 175.50 176.92 1t2r h GLN 48 N 3.05 0.00 0.00 -0.52 3.07 -1.94 0.18 115.11 118.96 1t2r h GLN 48 Ca -0.43 0.00 -0.02 0.00 0.09 0.00 0.00 58.65 58.29 1t2r h GLN 48 Cb 1.31 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.86 1t2r h GLN 48 CO 0.67 0.00 -0.09 1.03 0.09 0.00 0.00 178.83 180.53 1t2r h SER 49 N 0.00 0.00 0.75 0.06 0.87 -1.89 -1.29 113.55 112.04 1t2r h SER 49 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1t2r h SER 49 Cb 0.05 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.01 1t2r h SER 49 CO 0.00 0.09 -0.31 0.49 -0.53 0.00 0.00 176.83 176.57 1t2r n PHE 50 N -4.42 0.09 -2.16 2.24 3.72 0.64 -4.93 117.46 112.63 1t2r n PHE 50 Ca -0.03 0.03 -0.20 0.00 -0.05 0.00 0.00 57.45 57.20 1t2r n PHE 50 Cb 0.17 -0.40 -0.03 0.00 -0.94 0.00 0.00 39.48 38.27 1t2r n PHE 50 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1t2r n GLN 51 N -1.59 -1.52 -4.19 -1.08 1.13 -0.49 -4.98 117.38 104.66 1t2r n GLN 51 Ca 0.06 1.02 -0.23 0.00 -1.94 0.00 0.00 57.00 55.91 1t2r n GLN 51 Cb 0.35 -5.55 -0.06 0.00 0.11 0.00 0.00 30.24 25.09 1t2r n GLN 51 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 1t2r s SER 52 N -2.29 4.79 0.26 1.08 0.15 -1.26 -5.09 113.70 111.34 1t2r s SER 52 Ca 0.00 -0.60 0.09 0.00 0.70 0.00 0.00 55.95 56.14 1t2r s SER 52 Cb 0.00 -0.92 -0.04 0.00 -1.71 0.00 0.00 66.02 63.34 1t2r s SER 52 CO 0.00 -0.10 0.02 0.00 1.20 0.00 0.00 173.24 174.36 1t2r s ALA 53 N -2.32 3.20 0.12 5.45 0.00 -1.26 -4.54 121.76 122.42 1t2r s ALA 53 Ca 0.34 -1.62 -0.35 0.00 0.00 0.00 0.00 51.96 50.32 1t2r s ALA 53 Cb -0.06 -0.83 -0.16 0.00 0.00 0.00 0.00 23.12 22.07 1t2r s ALA 53 CO 0.22 0.27 1.29 -0.35 0.00 0.00 0.00 175.76 177.18 1t2r n PRO 54 N -0.91 1.21 -3.80 0.00 -0.04 -1.25 -4.66 135.00 125.56 1t2r n PRO 54 Ca -0.07 0.44 -0.13 0.00 -0.04 0.00 0.00 63.50 63.70 1t2r n PRO 54 Cb 0.59 -2.03 -0.13 0.00 -0.04 0.00 0.00 33.50 31.88 1t2r n PRO 54 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 1t2r s ARG 55 N 0.17 0.14 0.08 0.54 3.52 -0.46 -4.88 118.95 118.07 1t2r s ARG 55 Ca 0.80 0.25 -0.27 0.00 -0.13 0.00 0.00 55.73 56.38 1t2r s ARG 55 Cb -0.90 0.00 -0.06 0.00 -1.56 0.00 0.00 34.95 32.44 1t2r s ARG 55 CO 0.48 -0.06 0.85 0.54 -0.81 0.00 0.00 175.30 176.30 1t2r s VAL 56 N 0.40 4.61 -0.01 7.11 0.11 -1.25 -0.17 120.40 131.20 1t2r s VAL 56 Ca -0.03 1.82 0.04 0.00 -2.93 0.00 0.00 61.98 60.89 1t2r s VAL 56 Cb -0.04 -4.21 -0.01 0.00 -1.53 0.00 0.00 36.38 30.59 1t2r s VAL 56 CO -0.02 0.35 -0.13 -0.31 -3.33 0.00 0.00 175.10 171.66 1t2r s TYR 57 N -0.10 1.19 -0.49 1.54 2.02 0.89 -4.90 117.35 117.50 1t2r s TYR 57 Ca 0.42 -0.23 -0.27 0.00 -0.37 0.00 0.00 57.07 56.62 1t2r s TYR 57 Cb -0.22 -0.77 0.03 0.00 -0.40 0.00 0.00 41.96 40.60 1t2r s TYR 57 CO 0.26 -0.02 1.05 0.50 -1.57 0.00 0.00 175.55 175.77 1t2r s ARG 58 N -0.34 3.59 -0.08 -0.62 6.06 -1.26 -0.69 118.95 125.61 1t2r s ARG 58 Ca 0.05 0.30 -0.29 0.00 -2.50 0.00 0.00 55.73 53.29 1t2r s ARG 58 Cb -0.05 -3.94 -0.02 0.00 0.06 0.00 0.00 34.95 31.00 1t2r s ARG 58 CO -0.00 -1.37 0.99 0.08 -2.50 0.00 0.00 175.30 172.50 1t2r s VAL 59 N 4.21 4.81 -0.19 7.11 1.01 0.10 -4.32 120.40 133.13 1t2r s VAL 59 Ca 0.42 2.02 0.19 0.00 0.00 0.00 0.00 61.98 64.61 1t2r s VAL 59 Cb -0.09 -4.30 -0.02 0.00 0.00 0.00 0.00 36.38 31.97 1t2r s VAL 59 CO 0.28 0.05 1.07 0.78 0.00 0.00 0.00 175.10 177.27 1t2r h ASN 60 N 7.03 0.00 0.00 3.32 2.35 -1.30 0.26 115.58 127.24 1t2r h ASN 60 Ca -0.33 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.42 1t2r h ASN 60 Cb 1.16 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.53 1t2r h ASN 60 CO 0.83 0.32 0.00 0.61 -1.65 0.00 0.00 177.43 177.54 1t2r n GLY 61 N 1.27 -0.60 3.02 2.83 0.00 -0.84 -4.09 105.19 106.79 1t2r n GLY 61 Ca -0.03 -0.27 -0.08 0.00 0.00 0.00 0.00 46.02 45.63 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 2.33 0.26 0.99 1.43 -1.26 -0.47 118.68 121.96 1t2r s LEU 62 Ca 0.00 -0.68 -0.27 0.00 -1.03 0.00 0.00 54.13 52.15 1t2r s LEU 62 Cb 0.00 0.12 -0.09 0.00 0.03 0.00 0.00 46.19 46.25 1t2r s LEU 62 CO 0.00 -0.40 0.90 -0.55 0.23 0.00 0.00 176.35 176.53 1t2r s SER 63 N -1.99 7.44 0.45 2.29 0.15 -1.04 -4.69 113.70 116.32 1t2r s SER 63 Ca -0.08 1.82 0.30 0.00 0.70 0.00 0.00 55.95 58.69 1t2r s SER 63 Cb -0.04 -2.57 1.24 0.00 -1.71 0.00 0.00 66.02 62.95 1t2r s SER 63 CO -0.04 0.06 1.89 -0.09 1.20 0.00 0.00 173.24 176.27 1t2r h ARG 64 N 3.72 0.00 -5.70 5.44 9.65 -2.00 -3.43 114.38 122.05 1t2r h ARG 64 Ca -0.46 0.00 -0.57 0.00 -1.10 0.00 0.00 59.98 57.84 1t2r h ARG 64 Cb 1.20 0.00 -0.30 0.00 -1.39 0.00 0.00 29.97 29.48 1t2r h ARG 64 CO 0.66 0.00 -0.84 0.00 2.80 0.00 0.00 179.97 182.59 1t2r s ALA 65 N -3.55 1.58 1.10 2.80 0.00 -1.26 -5.12 121.76 117.31 1t2r s ALA 65 Ca 0.02 -0.79 -0.13 0.00 0.00 0.00 0.00 51.96 51.06 1t2r s ALA 65 Cb 0.09 -0.44 0.25 0.00 0.00 0.00 0.00 23.12 23.02 1t2r s ALA 65 CO 0.49 0.36 1.06 -2.14 0.00 0.00 0.00 175.76 175.53 1t2r s PRO 66 N -0.31 -0.40 0.20 0.00 0.02 -1.26 -4.60 135.00 128.64 1t2r s PRO 66 Ca 0.04 0.66 -0.12 0.00 0.02 0.00 0.00 61.00 61.60 1t2r s PRO 66 Cb -0.09 -1.63 0.25 0.00 0.02 0.00 0.00 34.50 33.06 1t2r s PRO 66 CO 0.00 -3.33 1.67 0.00 -0.33 0.00 0.00 177.00 175.02 1t2r h ALA 67 N -2.33 0.55 0.00 -1.55 0.00 -0.96 0.33 119.26 115.30 1t2r h ALA 67 Ca -0.59 0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1t2r h ALA 67 Cb 1.34 0.29 0.00 0.00 0.00 0.00 0.00 17.79 19.42 1t2r h ALA 67 CO 0.54 -0.39 0.00 1.03 0.00 0.00 0.00 179.25 180.43 1t2r h SER 68 N 0.12 0.00 0.41 0.00 0.87 -1.63 -2.68 113.55 110.64 1t2r h SER 68 Ca 0.29 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.85 1t2r h SER 68 Cb 0.46 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.42 1t2r h SER 68 CO -0.48 0.00 -0.46 -1.20 -0.53 0.00 0.00 176.83 174.16 1t2r n SER 69 N -3.00 0.65 -4.74 6.23 7.64 0.02 -4.79 113.62 115.62 1t2r n SER 69 Ca 0.02 -0.44 -0.35 0.00 1.01 0.00 0.00 58.87 59.11 1t2r n SER 69 Cb 0.40 0.26 -0.08 0.00 -1.01 0.00 0.00 64.21 63.78 1t2r n SER 69 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 1t2r s GLU 70 N -2.88 3.84 -0.04 1.43 2.56 -0.65 -4.86 118.70 118.11 1t2r s GLU 70 Ca 0.14 -0.24 0.04 0.00 0.00 0.00 0.00 54.97 54.91 1t2r s GLU 70 Cb 0.18 -3.26 -0.00 0.00 2.00 0.00 0.00 34.13 33.05 1t2r s GLU 70 CO 0.66 0.46 -0.16 0.95 -0.56 0.00 0.00 175.26 176.61 1t2r s THR 71 N -0.11 1.31 0.14 -1.70 -4.23 -1.26 -1.39 115.64 108.40 1t2r s THR 71 Ca 0.09 -0.66 0.07 0.00 -1.18 0.00 0.00 61.69 60.02 1t2r s THR 71 Cb -0.12 -1.13 -0.04 0.00 1.34 0.00 0.00 72.50 72.55 1t2r s THR 71 CO 0.00 0.38 -0.16 0.72 -0.54 0.00 0.00 174.62 175.02 1t2r s PHE 72 N 0.04 1.62 -0.30 3.99 -0.71 0.62 -4.95 117.98 118.29 1t2r s PHE 72 Ca -0.03 -0.51 -0.02 0.00 -1.04 0.00 0.00 56.93 55.33 1t2r s PHE 72 Cb -0.11 -0.83 0.05 0.00 -1.21 0.00 0.00 43.02 40.92 1t2r s PHE 72 CO 0.02 0.24 0.00 -2.00 -1.34 0.00 0.00 175.22 172.14 1t2r s GLU 73 N -2.71 2.47 -0.44 1.99 2.12 -1.26 -0.61 118.70 120.24 1t2r s GLU 73 Ca 0.12 -1.24 -0.15 0.00 0.36 0.00 0.00 54.97 54.06 1t2r s GLU 73 Cb -0.05 -3.19 0.05 0.00 0.26 0.00 0.00 34.13 31.20 1t2r s GLU 73 CO 0.05 -0.61 0.35 -1.58 -0.54 0.00 0.00 175.26 172.93 1t2r s HIS 74 N 1.27 3.25 -1.35 5.30 5.65 0.64 -4.54 115.29 125.51 1t2r s HIS 74 Ca -0.05 -0.86 -0.04 0.00 0.25 0.00 0.00 55.06 54.37 1t2r s HIS 74 Cb -0.20 -2.94 0.02 0.00 -1.18 0.00 0.00 32.58 28.29 1t2r s HIS 74 CO -0.01 -0.73 0.85 -0.25 -0.65 0.00 0.00 174.74 173.96 1t2r n ASP 75 N 5.16 -2.57 0.00 9.88 9.92 -1.26 -1.80 116.55 135.89 1t2r n ASP 75 Ca -0.12 -0.76 0.00 0.00 -0.53 0.00 0.00 54.79 53.39 1t2r n ASP 75 Cb 0.45 -4.27 0.00 0.00 -0.64 0.00 0.00 41.12 36.66 1t2r n ASP 75 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1t2r n GLY 76 N -1.58 2.88 3.64 0.44 0.00 -1.26 -5.01 105.19 104.30 1t2r n GLY 76 Ca -0.20 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.55 4.07 -0.23 1.61 -0.14 -0.74 -5.05 119.74 118.71 1t2r s LYS 77 Ca 0.00 -0.09 -0.21 0.00 -1.36 0.00 0.00 55.97 54.31 1t2r s LYS 77 Cb 0.00 -3.58 -0.02 0.00 -1.68 0.00 0.00 37.83 32.55 1t2r s LYS 77 CO 0.00 -0.06 0.66 0.15 -0.76 0.00 0.00 175.35 175.34 1t2r s LYS 78 N 1.40 4.16 0.04 1.68 1.02 -1.26 -0.26 119.74 126.52 1t2r s LYS 78 Ca 0.12 0.63 0.04 0.00 0.02 0.00 0.00 55.97 56.78 1t2r s LYS 78 Cb -0.15 -3.62 -0.02 0.00 -0.52 0.00 0.00 37.83 33.52 1t2r s LYS 78 CO 0.07 -0.35 -0.12 0.14 -0.92 0.00 0.00 175.35 174.17 1t2r s VAL 79 N 2.30 0.89 0.76 3.17 -7.23 0.22 -4.96 120.40 115.54 1t2r s VAL 79 Ca 0.28 -0.96 -0.12 0.00 -1.81 0.00 0.00 61.98 59.38 1t2r s VAL 79 Cb -0.16 -0.84 0.05 0.00 0.56 0.00 0.00 36.38 35.99 1t2r s VAL 79 CO 0.09 -0.10 1.13 0.42 -0.31 0.00 0.00 175.10 176.33 1t2r s THR 80 N -0.94 2.82 0.22 5.32 -4.23 -1.26 -0.28 115.64 117.30 1t2r s THR 80 Ca -0.02 0.27 -0.07 0.00 -1.18 0.00 0.00 61.69 60.69 1t2r s THR 80 Cb -0.08 -3.24 0.17 0.00 1.34 0.00 0.00 72.50 70.69 1t2r s THR 80 CO 0.01 -0.35 1.81 0.40 -0.54 0.00 0.00 174.62 175.95 1t2r h ILE 81 N -0.86 0.94 -0.52 2.99 1.08 -0.90 -0.88 117.51 119.36 1t2r h ILE 81 Ca -0.46 -0.25 -0.09 0.00 -0.39 0.00 0.00 64.86 63.67 1t2r h ILE 81 Cb 1.29 0.15 -0.02 0.00 -3.07 0.00 0.00 36.82 35.17 1t2r h ILE 81 CO 0.64 0.13 -0.05 0.00 -0.69 0.00 0.00 178.15 178.19 1t2r h ALA 82 N 1.39 0.93 -0.53 1.87 0.00 -1.83 -2.52 119.26 118.57 1t2r h ALA 82 Ca 0.34 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1t2r h ALA 82 Cb 0.26 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 1t2r h ALA 82 CO -0.21 0.63 0.24 0.77 0.00 0.00 0.00 179.25 180.68 1t2r h SER 83 N 0.84 0.67 -0.14 0.00 0.02 -1.66 0.13 113.55 113.41 1t2r h SER 83 Ca 0.15 -0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 61.02 1t2r h SER 83 Cb 0.57 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.93 1t2r h SER 83 CO 0.03 0.59 0.03 0.22 -1.14 0.00 0.00 176.83 176.56 1t2r h TYR 84 N 0.75 0.23 -0.50 3.45 3.20 -0.78 0.59 116.97 123.92 1t2r h TYR 84 Ca 0.19 -0.03 -0.08 0.00 3.14 0.00 0.00 58.73 61.94 1t2r h TYR 84 Cb 0.10 -0.07 -0.02 0.00 1.54 0.00 0.00 36.73 38.28 1t2r h TYR 84 CO 0.01 0.37 -0.03 0.74 -1.64 0.00 0.00 178.16 177.61 1t2r h PHE 85 N 0.03 0.93 -0.48 -3.82 0.04 -1.17 -1.95 116.94 110.51 1t2r h PHE 85 Ca 0.04 -0.15 -0.01 0.00 2.80 0.00 0.00 57.97 60.65 1t2r h PHE 85 Cb 0.25 -0.25 -0.02 0.00 2.20 0.00 0.00 35.95 38.13 1t2r h PHE 85 CO 0.01 0.86 0.25 1.25 -0.60 0.00 0.00 178.31 180.07 1t2r h HIS 86 N 0.79 0.65 0.00 -0.55 2.76 -0.53 0.95 115.15 119.22 1t2r h HIS 86 Ca 0.14 -0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 58.28 1t2r h HIS 86 Cb 0.52 -0.21 -0.00 0.00 1.55 0.00 0.00 27.41 29.26 1t2r h HIS 86 CO 0.03 0.48 -0.14 1.03 -1.30 0.00 0.00 177.93 178.03 1t2r h SER 87 N 0.67 0.00 -0.21 3.26 0.87 -0.13 0.05 113.55 118.08 1t2r h SER 87 Ca 0.17 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.73 1t2r h SER 87 Cb 0.05 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.01 1t2r h SER 87 CO -0.03 0.14 0.00 0.54 -0.53 0.00 0.00 176.83 176.95 1t2r n ARG 88 N -3.55 2.20 -3.64 2.24 5.12 0.13 -4.84 116.66 114.30 1t2r n ARG 88 Ca -0.01 -1.04 -0.24 0.00 -1.93 0.00 0.00 57.85 54.63 1t2r n ARG 88 Cb 0.28 -1.66 0.07 0.00 -1.16 0.00 0.00 32.46 29.98 1t2r n ARG 88 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 1t2r n ASN 89 N 0.22 -5.04 -3.28 0.55 5.15 0.00 -4.88 115.26 107.98 1t2r n ASN 89 Ca 0.09 -0.62 -0.25 0.00 -0.60 0.00 0.00 54.58 53.20 1t2r n ASN 89 Cb 0.51 -4.76 -0.08 0.00 -0.53 0.00 0.00 39.78 34.92 1t2r n ASN 89 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1t2r n TYR 90 N -4.76 0.40 -1.76 1.20 4.19 -0.05 -4.98 117.16 111.40 1t2r n TYR 90 Ca -0.05 -3.66 -0.43 0.00 3.31 0.00 0.00 57.90 57.07 1t2r n TYR 90 Cb 0.58 -0.31 -0.03 0.00 0.49 0.00 0.00 39.34 40.07 1t2r n TYR 90 CO 0.00 0.00 0.00 -1.25 0.91 0.00 0.00 176.86 176.52 1t2r s PRO 91 N -1.26 3.52 0.12 2.98 0.04 -1.26 -2.95 135.00 136.19 1t2r s PRO 91 Ca 0.35 2.03 -0.31 0.00 0.04 0.00 0.00 61.00 63.11 1t2r s PRO 91 Cb 0.14 -4.24 -0.11 0.00 0.04 0.00 0.00 34.50 30.33 1t2r s PRO 91 CO -0.11 -1.65 1.85 1.28 0.04 0.00 0.00 177.00 178.41 1t2r n LEU 92 N 9.94 4.05 -0.34 -3.56 4.77 -1.26 -4.87 117.00 125.74 1t2r n LEU 92 Ca 0.25 0.98 0.07 0.00 -0.03 0.00 0.00 56.01 57.28 1t2r n LEU 92 Cb 0.44 -1.54 0.25 0.00 -2.33 0.00 0.00 43.42 40.24 1t2r n LEU 92 CO 0.66 0.18 1.24 0.11 -1.33 0.00 0.00 177.39 178.25 1t2r h LYS 93 N 8.63 0.96 -2.72 3.23 1.57 -2.02 -3.32 116.57 122.90 1t2r h LYS 93 Ca -0.46 -0.06 -0.60 0.00 -1.87 0.00 0.00 60.65 57.66 1t2r h LYS 93 Cb 1.22 -0.22 -0.39 0.00 0.08 0.00 0.00 32.23 32.92 1t2r h LYS 93 CO 0.95 0.63 -0.81 -0.06 -0.57 0.00 0.00 179.45 179.59 1t2r s PHE 94 N -5.92 1.56 -0.97 -1.35 0.08 -1.26 -4.95 117.98 105.16 1t2r s PHE 94 Ca -0.12 -2.27 0.14 0.00 0.12 0.00 0.00 56.93 54.80 1t2r s PHE 94 Cb 0.21 -1.44 0.59 0.00 -0.57 0.00 0.00 43.02 41.81 1t2r s PHE 94 CO 0.80 -0.78 1.44 -2.30 -0.10 0.00 0.00 175.22 174.28 1t2r n PRO 95 N 3.34 0.01 -0.35 0.24 -0.02 -1.25 -2.46 135.00 134.50 1t2r n PRO 95 Ca 0.16 0.28 0.04 0.00 -2.02 0.00 0.00 63.50 61.96 1t2r n PRO 95 Cb 0.39 -1.52 0.18 0.00 -0.02 0.00 0.00 33.50 32.53 1t2r n PRO 95 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 1t2r n GLN 96 N -1.54 2.55 -3.16 -0.52 -0.06 -1.26 -1.71 117.38 111.68 1t2r n GLN 96 Ca 0.03 -1.44 -0.39 0.00 -2.00 0.00 0.00 57.00 53.20 1t2r n GLN 96 Cb 0.16 -1.68 -0.06 0.00 -4.06 0.00 0.00 30.24 24.60 1t2r n GLN 96 CO 0.00 0.00 0.00 -0.51 -0.20 0.00 0.00 177.06 176.35 1t2r s LEU 97 N -1.22 4.55 -0.61 1.69 1.43 -1.03 -4.44 118.68 119.05 1t2r s LEU 97 Ca 0.25 1.40 -0.25 0.00 -1.03 0.00 0.00 54.13 54.50 1t2r s LEU 97 Cb 0.18 -3.05 0.04 0.00 0.03 0.00 0.00 46.19 43.39 1t2r s LEU 97 CO 0.10 0.24 1.05 -1.00 0.23 0.00 0.00 176.35 176.98 1t2r s HIS 98 N -1.08 2.65 0.80 0.29 3.76 -1.26 -1.18 115.29 119.26 1t2r s HIS 98 Ca 0.32 -0.02 -0.11 0.00 -0.15 0.00 0.00 55.06 55.10 1t2r s HIS 98 Cb -0.21 -4.30 0.07 0.00 1.11 0.00 0.00 32.58 29.26 1t2r s HIS 98 CO 0.22 -1.57 1.11 0.00 -0.85 0.00 0.00 174.74 173.64 1t2r s LEU 100 N -6.03 4.36 -0.81 0.00 1.43 0.77 -2.48 118.68 115.91 1t2r s LEU 100 Ca 0.63 2.04 -0.23 0.00 -1.03 0.00 0.00 54.13 55.53 1t2r s LEU 100 Cb -0.19 -3.58 0.07 0.00 0.03 0.00 0.00 46.19 42.52 1t2r s LEU 100 CO 0.56 -0.52 1.18 0.21 0.23 0.00 0.00 176.35 178.02 1t2r s ASN 101 N 1.15 6.32 0.00 2.29 2.47 0.38 -0.20 114.94 127.36 1t2r s ASN 101 Ca 0.59 -1.14 0.00 0.00 0.42 0.00 0.00 52.86 52.73 1t2r s ASN 101 Cb -0.30 -2.49 0.00 0.00 -1.45 0.00 0.00 41.25 37.02 1t2r s ASN 101 CO 0.28 -1.49 0.00 1.33 -3.72 0.00 0.00 177.10 173.50 1t2r n VAL 102 N 6.17 0.00 0.00 -5.21 0.24 0.64 -1.12 118.33 119.05 1t2r n VAL 102 Ca 0.11 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.41 1t2r n VAL 102 Cb 0.48 -0.21 0.00 0.00 -1.47 0.00 0.00 33.84 32.64 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 5.00 1.40 2.46 7.63 0.00 -1.26 -2.61 105.19 117.80 1t2r n GLY 103 Ca 0.00 -0.79 -0.09 0.00 0.00 0.00 0.00 46.02 45.14 1t2r n GLY 103 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1t2r n SER 104 N 5.19 -1.19 -0.29 1.61 3.41 0.11 -4.96 113.62 117.50 1t2r n SER 104 Ca 0.00 -2.25 0.00 0.00 -0.26 0.00 0.00 58.87 56.36 1t2r n SER 104 Cb 0.00 2.11 0.13 0.00 -0.26 0.00 0.00 64.21 66.19 1t2r n SER 104 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1t2r h SER 105 N 1.38 0.76 0.05 4.04 0.02 -2.02 -3.04 113.55 114.74 1t2r h SER 105 Ca -0.21 0.02 -0.09 0.00 -0.84 0.00 0.00 61.79 60.67 1t2r h SER 105 Cb 0.84 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 63.25 1t2r h SER 105 CO 0.27 0.49 -0.43 0.16 -1.14 0.00 0.00 176.83 176.18 1t2r h ILE 106 N 0.90 1.60 -2.01 3.27 3.07 -1.99 -3.39 117.51 118.96 1t2r h ILE 106 Ca 0.35 -2.40 -0.70 0.00 1.55 0.00 0.00 64.86 63.66 1t2r h ILE 106 Cb 0.17 3.21 -0.16 0.00 -0.27 0.00 0.00 36.82 39.78 1t2r h ILE 106 CO -0.17 0.63 1.28 -0.75 -1.05 0.00 0.00 178.15 178.09 1t2r s LYS 107 N -2.31 3.87 -0.92 0.16 2.20 -1.15 -4.93 119.74 116.65 1t2r s LYS 107 Ca -0.18 -2.11 -0.20 0.00 -0.36 0.00 0.00 55.97 53.12 1t2r s LYS 107 Cb -0.01 -5.09 0.11 0.00 -1.51 0.00 0.00 37.83 31.33 1t2r s LYS 107 CO 0.73 -1.86 1.17 -1.12 -0.36 0.00 0.00 175.35 173.91 1t2r s SER 108 N 3.45 6.56 0.10 1.43 0.01 -1.21 0.07 113.70 124.11 1t2r s SER 108 Ca 0.41 -1.83 0.09 0.00 1.31 0.00 0.00 55.95 55.92 1t2r s SER 108 Cb -0.02 -2.43 -0.04 0.00 0.21 0.00 0.00 66.02 63.74 1t2r s SER 108 CO -0.03 -1.18 -0.19 0.27 0.41 0.00 0.00 173.24 172.51 1t2r s ILE 109 N 3.22 2.74 -0.21 1.44 -4.36 -1.07 -4.99 121.20 117.97 1t2r s ILE 109 Ca 0.34 -1.47 -0.03 0.00 -0.26 0.00 0.00 60.65 59.23 1t2r s ILE 109 Cb -0.05 -2.23 -0.00 0.00 1.25 0.00 0.00 42.46 41.43 1t2r s ILE 109 CO -0.08 0.16 -0.07 -0.76 0.24 0.00 0.00 174.94 174.43 1t2r s LEU 110 N -1.96 2.76 -0.23 0.37 1.02 -1.24 -0.26 118.68 119.13 1t2r s LEU 110 Ca 0.17 -0.43 -0.06 0.00 0.02 0.00 0.00 54.13 53.83 1t2r s LEU 110 Cb -0.10 -1.69 -0.02 0.00 0.02 0.00 0.00 46.19 44.40 1t2r s LEU 110 CO 0.08 -0.00 0.02 -0.76 0.02 0.00 0.00 176.35 175.71 1t2r s LEU 111 N 1.37 3.20 -0.27 1.79 1.43 0.73 -4.75 118.68 122.18 1t2r s LEU 111 Ca 0.05 -0.28 -0.35 0.00 -1.03 0.00 0.00 54.13 52.52 1t2r s LEU 111 Cb -0.14 -1.84 -0.11 0.00 0.03 0.00 0.00 46.19 44.12 1t2r s LEU 111 CO -0.04 -0.02 2.06 -2.65 0.23 0.00 0.00 176.35 175.93 1t2r n PRO 112 N 4.81 1.42 0.31 1.29 -0.02 -1.26 -0.17 135.00 141.39 1t2r n PRO 112 Ca -0.17 0.45 0.18 0.00 -2.02 0.00 0.00 63.50 61.94 1t2r n PRO 112 Cb 0.51 -2.52 1.02 0.00 -0.02 0.00 0.00 33.50 32.48 1t2r n PRO 112 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 1t2r h ILE 113 N 6.46 0.34 -0.59 4.25 2.10 -1.93 -1.06 117.51 127.07 1t2r h ILE 113 Ca -0.36 -0.03 -0.04 0.00 1.08 0.00 0.00 64.86 65.51 1t2r h ILE 113 Cb 1.30 1.02 -0.03 0.00 -1.09 0.00 0.00 36.82 38.03 1t2r h ILE 113 CO 0.99 0.01 0.23 -0.08 -1.08 0.00 0.00 178.15 178.21 1t2r h GLU 114 N 0.00 0.87 -0.75 2.19 4.57 -1.94 -2.66 114.58 116.86 1t2r h GLU 114 Ca -0.00 -0.14 -0.04 0.00 -1.18 0.00 0.00 59.36 58.00 1t2r h GLU 114 Cb 0.02 -0.15 -0.02 0.00 -0.16 0.00 0.00 28.75 28.44 1t2r h GLU 114 CO 0.00 0.72 0.04 1.28 -1.18 0.00 0.00 179.01 179.88 1t2r n LEU 115 N -4.32 4.35 -4.42 1.64 4.77 -0.40 -4.70 117.00 113.92 1t2r n LEU 115 Ca 0.05 -2.22 -0.33 0.00 -0.03 0.00 0.00 56.01 53.48 1t2r n LEU 115 Cb 0.17 -0.64 -0.14 0.00 -2.33 0.00 0.00 43.42 40.49 1t2r n LEU 115 CO 0.39 0.54 -0.43 0.00 -1.33 0.00 0.00 177.39 176.56 1t2r s SER 117 N 0.12 5.42 -0.29 0.00 0.01 0.38 -0.43 113.70 118.90 1t2r s SER 117 Ca -0.05 -1.26 -0.25 0.00 1.31 0.00 0.00 55.95 55.70 1t2r s SER 117 Cb -0.15 -1.90 0.00 0.00 0.21 0.00 0.00 66.02 64.18 1t2r s SER 117 CO 0.04 -0.39 0.86 -0.51 0.41 0.00 0.00 173.24 173.65 1t2r s ILE 118 N 1.41 4.75 -0.17 1.44 2.07 0.16 0.07 121.20 130.93 1t2r s ILE 118 Ca 0.00 1.41 -0.29 0.00 -1.41 0.00 0.00 60.65 60.36 1t2r s ILE 118 Cb -0.20 -4.19 -0.00 0.00 0.13 0.00 0.00 42.46 38.19 1t2r s ILE 118 CO 0.03 -0.24 1.04 -1.61 -1.91 0.00 0.00 174.94 172.25 1t2r s GLU 119 N 3.06 4.33 0.57 3.50 2.02 -1.25 -0.12 118.70 130.81 1t2r s GLU 119 Ca 0.36 1.40 0.35 0.00 0.02 0.00 0.00 54.97 57.10 1t2r s GLU 119 Cb -0.14 -3.60 1.65 0.00 0.10 0.00 0.00 34.13 32.14 1t2r s GLU 119 CO 0.11 -0.49 2.10 1.05 0.02 0.00 0.00 175.26 178.06 1t2r h GLU 120 N 7.33 0.00 0.05 1.61 4.11 -1.70 -0.13 114.58 125.84 1t2r h GLU 120 Ca -0.25 0.00 -0.29 0.00 0.07 0.00 0.00 59.36 58.89 1t2r h GLU 120 Cb 1.10 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.32 1t2r h GLU 120 CO 0.92 0.04 -1.58 0.78 0.07 0.00 0.00 179.01 179.24 1t2r h GLY 121 N 1.22 0.12 1.99 1.06 0.00 -1.91 -3.35 103.07 102.21 1t2r h GLY 121 Ca -0.00 -0.30 -0.18 0.00 0.00 0.00 0.00 47.33 46.85 1t2r h GLY 121 CO 0.01 0.26 -0.86 1.46 0.00 0.00 0.00 176.54 177.40 1t2r h GLN 122 N 0.03 0.01 0.00 4.80 1.08 -1.66 -3.51 115.11 115.85 1t2r h GLN 122 Ca -0.25 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 56.94 1t2r h GLN 122 Cb 1.98 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 29.41 1t2r h GLN 122 CO 0.11 0.86 0.00 0.00 -0.95 0.00 0.00 178.83 178.86