#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t2r n ALA 2 N 0.00 -0.16 -2.49 4.61 0.00 -1.26 -4.75 120.51 116.45 1t2r n ALA 2 Ca 0.00 0.18 0.04 0.00 0.00 0.00 0.00 53.44 53.65 1t2r n ALA 2 Cb 0.00 -1.55 0.02 0.00 0.00 0.00 0.00 19.45 17.92 1t2r n ALA 2 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1t2r n MET 3 N -1.57 0.03 -3.79 0.00 2.81 -1.26 -5.07 117.12 108.27 1t2r n MET 3 Ca -0.11 -1.99 -0.37 0.00 -1.81 0.00 0.00 57.70 53.42 1t2r n MET 3 Cb 0.49 -0.01 -0.13 0.00 -0.71 0.00 0.00 33.22 32.87 1t2r n MET 3 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1t2r s ALA 4 N -0.06 3.01 -0.20 3.04 0.00 -1.26 -0.39 121.76 125.89 1t2r s ALA 4 Ca 0.33 -1.55 -0.16 0.00 0.00 0.00 0.00 51.96 50.58 1t2r s ALA 4 Cb 0.38 -2.12 -0.04 0.00 0.00 0.00 0.00 23.12 21.34 1t2r s ALA 4 CO -0.16 -1.04 0.41 -1.64 0.00 0.00 0.00 175.76 173.33 1t2r s MET 5 N 1.44 4.17 0.16 0.00 1.00 0.61 -4.86 119.30 121.82 1t2r s MET 5 Ca 0.01 0.22 -0.32 0.00 0.00 0.00 0.00 55.69 55.60 1t2r s MET 5 Cb -0.18 -3.54 -0.12 0.00 0.00 0.00 0.00 34.83 30.99 1t2r s MET 5 CO 0.02 -0.06 1.76 -2.30 0.00 0.00 0.00 175.02 174.44 1t2r n PRO 6 N 4.53 2.70 0.32 2.03 -0.02 -1.26 0.30 135.00 143.60 1t2r n PRO 6 Ca -0.08 0.98 0.21 0.00 -2.02 0.00 0.00 63.50 62.59 1t2r n PRO 6 Cb 0.51 -2.83 1.13 0.00 -0.02 0.00 0.00 33.50 32.28 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 7.43 0.00 -0.08 -0.52 2.86 -0.92 0.26 114.93 123.97 1t2r h MET 7 Ca -0.45 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.15 1t2r h MET 7 Cb 1.22 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.88 1t2r h MET 7 CO 0.95 0.00 -0.14 0.82 1.06 0.00 0.00 176.91 179.60 1t2r h ILE 8 N 0.00 1.40 0.00 -1.22 1.08 -1.81 -2.59 117.51 114.37 1t2r h ILE 8 Ca 0.00 -1.41 -0.04 0.00 -0.39 0.00 0.00 64.86 63.02 1t2r h ILE 8 Cb 0.05 2.15 -0.01 0.00 -3.07 0.00 0.00 36.82 35.94 1t2r h ILE 8 CO 0.00 0.40 -0.17 -0.08 -0.69 0.00 0.00 178.15 177.61 1t2r h GLU 9 N -0.24 0.00 -0.32 2.37 4.81 -1.01 -2.35 114.58 117.84 1t2r h GLU 9 Ca 0.00 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.19 1t2r h GLU 9 Cb 0.71 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.07 1t2r h GLU 9 CO 0.03 0.17 0.04 -0.92 -0.73 0.00 0.00 179.01 177.60 1t2r h TYR 10 N 0.00 0.58 -0.20 0.92 3.20 -0.58 -2.47 116.97 118.43 1t2r h TYR 10 Ca -0.00 -0.09 -0.04 0.00 3.14 0.00 0.00 58.73 61.74 1t2r h TYR 10 Cb 0.54 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.64 1t2r h TYR 10 CO 0.00 0.63 -0.07 -0.07 -1.64 0.00 0.00 178.16 177.01 1t2r h LEU 11 N 0.37 0.28 0.33 2.82 4.07 -1.04 -2.19 115.31 119.95 1t2r h LEU 11 Ca 0.10 -0.05 -0.01 0.00 0.08 0.00 0.00 57.88 58.00 1t2r h LEU 11 Cb 0.37 -0.07 -0.01 0.00 1.08 0.00 0.00 40.66 42.03 1t2r h LEU 11 CO 0.01 0.39 -0.24 -0.33 -1.08 0.00 0.00 178.44 177.19 1t2r h GLU 12 N 0.29 -0.55 0.02 1.13 4.39 -1.12 0.16 114.58 118.91 1t2r h GLU 12 Ca 0.06 0.04 -0.21 0.00 0.34 0.00 0.00 59.36 59.59 1t2r h GLU 12 Cb 0.31 0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 29.07 1t2r h GLU 12 CO 0.01 -0.36 -0.94 0.00 -1.16 0.00 0.00 179.01 176.56 1t2r h ARG 13 N -0.57 0.13 0.00 2.33 3.08 -1.23 0.12 114.38 118.25 1t2r h ARG 13 Ca -0.03 -0.17 -0.16 0.00 0.07 0.00 0.00 59.98 59.69 1t2r h ARG 13 Cb 0.49 0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.56 1t2r h ARG 13 CO 0.01 0.98 -1.60 1.19 -1.07 0.00 0.00 179.97 179.47 1t2r n PHE 14 N -3.56 0.00 -0.13 3.04 3.72 -0.84 -4.66 117.46 115.03 1t2r n PHE 14 Ca -0.03 0.00 -0.25 0.00 -0.05 0.00 0.00 57.45 57.12 1t2r n PHE 14 Cb 0.86 -0.43 -0.08 0.00 -0.94 0.00 0.00 39.48 38.89 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 -2.39 1.95 -0.09 4.37 2.88 0.07 -4.79 113.62 115.63 1t2r n SER 15 Ca -0.15 0.34 -0.10 0.00 -1.33 0.00 0.00 58.87 57.63 1t2r n SER 15 Cb 0.77 -0.80 -0.12 0.00 -0.75 0.00 0.00 64.21 63.32 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 -4.30 0.91 -1.09 2.46 4.32 0.35 -4.97 117.00 114.67 1t2r n LEU 16 Ca -0.45 -0.03 -0.14 0.00 -0.02 0.00 0.00 56.01 55.36 1t2r n LEU 16 Cb 0.80 0.06 -0.06 0.00 -1.62 0.00 0.00 43.42 42.60 1t2r n LEU 16 CO 0.07 0.53 -0.14 0.29 -1.22 0.00 0.00 177.39 176.93 1t2r n LYS 17 N -2.75 -1.39 0.00 3.23 4.01 0.41 -4.95 118.16 116.72 1t2r n LYS 17 Ca -0.29 0.99 0.00 0.00 -0.51 0.00 0.00 58.31 58.49 1t2r n LYS 17 Cb 0.98 -5.28 0.00 0.00 -0.51 0.00 0.00 35.03 30.23 1t2r n LYS 17 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1t2r n ALA 18 N 1.26 0.00 -3.43 7.82 0.00 -1.25 -5.02 120.51 119.89 1t2r n ALA 18 Ca -0.14 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 52.95 1t2r n ALA 18 Cb 0.57 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.88 1t2r n ALA 18 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1t2r s LYS 19 N 1.55 3.38 -0.20 0.00 2.47 -1.26 -4.82 119.74 120.87 1t2r s LYS 19 Ca 0.00 -0.63 -0.29 0.00 -1.56 0.00 0.00 55.97 53.49 1t2r s LYS 19 Cb 0.00 -2.93 -0.05 0.00 -1.46 0.00 0.00 37.83 33.39 1t2r s LYS 19 CO 0.00 -0.11 1.99 0.42 0.16 0.00 0.00 175.35 177.81 1t2r s ILE 20 N 1.23 3.22 0.47 5.43 -1.09 -1.26 -4.94 121.20 124.26 1t2r s ILE 20 Ca 0.03 0.24 0.00 0.00 -2.23 0.00 0.00 60.65 58.69 1t2r s ILE 20 Cb -0.14 -3.26 -0.00 0.00 -1.58 0.00 0.00 42.46 37.48 1t2r s ILE 20 CO -0.02 -0.13 0.00 0.59 -1.23 0.00 0.00 174.94 174.15 1t2r n ASN 21 N 10.12 3.27 0.17 3.58 3.02 -1.26 -5.03 115.26 129.13 1t2r n ASN 21 Ca 0.25 -3.08 0.01 0.00 -0.03 0.00 0.00 54.58 51.72 1t2r n ASN 21 Cb 0.45 0.35 0.29 0.00 -0.61 0.00 0.00 39.78 40.26 1t2r n ASN 21 CO 0.00 0.00 0.00 0.78 -2.62 0.00 0.00 177.26 175.42 1t2r h ASN 22 N 1.15 0.01 1.80 6.41 2.35 -1.93 -2.89 115.58 122.48 1t2r h ASN 22 Ca -0.39 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.35 1t2r h ASN 22 Cb 1.19 -0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.56 1t2r h ASN 22 CO 0.65 0.46 0.00 0.00 -1.65 0.00 0.00 177.43 176.89 1t2r h THR 23 N 0.01 0.00 -3.06 2.81 1.03 -1.98 -3.44 112.91 108.28 1t2r h THR 23 Ca -0.00 -0.85 -0.58 0.00 -0.01 0.00 0.00 66.41 64.97 1t2r h THR 23 Cb 0.80 1.84 -0.06 0.00 -1.07 0.00 0.00 68.15 69.66 1t2r h THR 23 CO 0.06 0.00 0.82 0.42 -0.01 0.00 0.00 175.52 176.81 1t2r s THR 24 N -3.22 4.61 -0.13 0.00 -4.23 -1.09 -5.00 115.64 106.58 1t2r s THR 24 Ca 0.07 1.94 -0.29 0.00 -1.18 0.00 0.00 61.69 62.24 1t2r s THR 24 Cb 0.07 -4.26 -0.01 0.00 1.34 0.00 0.00 72.50 69.63 1t2r s THR 24 CO 0.64 -0.19 0.97 0.20 -0.54 0.00 0.00 174.62 175.71 1t2r s ASN 25 N 1.35 7.17 0.26 3.99 0.01 -1.26 -4.78 114.94 121.67 1t2r s ASN 25 Ca 0.46 1.44 0.23 0.00 -0.71 0.00 0.00 52.86 54.28 1t2r s ASN 25 Cb -0.16 -2.53 0.99 0.00 0.41 0.00 0.00 41.25 39.96 1t2r s ASN 25 CO 0.08 -0.46 1.69 0.18 -1.51 0.00 0.00 177.10 177.07 1t2r n LEU 26 N 5.21 0.63 -0.24 0.60 7.99 -1.23 -3.62 117.00 126.33 1t2r n LEU 26 Ca 0.08 0.68 -0.06 0.00 -0.01 0.00 0.00 56.01 56.70 1t2r n LEU 26 Cb 0.48 -0.62 -0.01 0.00 -0.11 0.00 0.00 43.42 43.16 1t2r n LEU 26 CO 0.51 -0.62 0.59 -0.78 -1.51 0.00 0.00 177.39 175.58 1t2r h ASP 27 N 0.00 -1.42 -0.35 -1.43 3.58 -1.91 0.24 116.42 115.12 1t2r h ASP 27 Ca 0.00 0.26 -0.00 0.00 0.42 0.00 0.00 57.03 57.70 1t2r h ASP 27 Cb 0.30 0.68 -0.02 0.00 1.72 0.00 0.00 39.33 42.00 1t2r h ASP 27 CO 0.00 -0.31 0.21 1.88 -2.88 0.00 0.00 179.24 178.13 1t2r h TYR 28 N -0.16 0.47 0.19 0.28 0.05 -1.97 0.23 116.97 116.06 1t2r h TYR 28 Ca 0.22 -0.00 -0.31 0.00 0.05 0.00 0.00 58.73 58.68 1t2r h TYR 28 Cb 0.56 -0.15 0.02 0.00 1.01 0.00 0.00 36.73 38.17 1t2r h TYR 28 CO -0.73 0.35 -1.42 0.77 -1.05 0.00 0.00 178.16 176.08 1t2r h SER 29 N 0.45 0.63 -0.86 3.88 0.02 -1.72 -3.05 113.55 112.90 1t2r h SER 29 Ca 0.13 -0.70 -0.02 0.00 -0.84 0.00 0.00 61.79 60.35 1t2r h SER 29 Cb 0.02 -0.21 -0.04 0.00 0.14 0.00 0.00 62.40 62.32 1t2r h SER 29 CO -0.02 1.56 0.47 -0.09 -1.14 0.00 0.00 176.83 177.61 1t2r h ARG 30 N 0.11 1.21 -0.53 3.45 9.65 -0.35 0.11 114.38 128.02 1t2r h ARG 30 Ca -0.22 -0.14 -0.07 0.00 -1.10 0.00 0.00 59.98 58.46 1t2r h ARG 30 Cb 2.08 -0.24 -0.02 0.00 -1.39 0.00 0.00 29.97 30.40 1t2r h ARG 30 CO 0.23 0.88 0.06 -0.09 2.80 0.00 0.00 179.97 183.86 1t2r h ARG 31 N 1.21 0.86 0.00 0.20 2.43 -0.97 -2.61 114.38 115.50 1t2r h ARG 31 Ca 0.30 -0.21 -0.21 0.00 -0.81 0.00 0.00 59.98 59.06 1t2r h ARG 31 Cb 0.03 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.46 1t2r h ARG 31 CO -0.05 0.82 -0.89 0.74 -1.51 0.00 0.00 179.97 179.08 1t2r h PHE 32 N 0.81 0.41 -0.13 2.20 0.04 -1.23 -3.30 116.94 115.74 1t2r h PHE 32 Ca 0.17 -0.22 0.00 0.00 2.80 0.00 0.00 57.97 60.72 1t2r h PHE 32 Cb 0.40 -0.05 0.00 0.00 2.20 0.00 0.00 35.95 38.50 1t2r h PHE 32 CO 0.02 1.03 0.00 1.28 -0.60 0.00 0.00 178.31 180.05 1t2r n LEU 33 N -3.69 1.61 -0.11 1.54 4.77 -0.05 -4.33 117.00 116.74 1t2r n LEU 33 Ca -0.05 -0.65 -0.06 0.00 -0.03 0.00 0.00 56.01 55.23 1t2r n LEU 33 Cb 0.81 -0.08 0.01 0.00 -2.33 0.00 0.00 43.42 41.83 1t2r n LEU 33 CO 0.49 0.32 0.72 -0.08 -1.33 0.00 0.00 177.39 177.51 1t2r h GLU 34 N 2.22 -0.13 0.00 3.23 4.81 -1.55 0.27 114.58 123.43 1t2r h GLU 34 Ca 0.00 0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1t2r h GLU 34 Cb 0.48 0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.89 1t2r h GLU 34 CO 0.00 -0.09 -0.01 -1.00 -0.73 0.00 0.00 179.01 177.18 1t2r h PRO 35 N -0.14 0.00 0.06 0.92 0.13 -1.88 -1.72 132.00 129.37 1t2r h PRO 35 Ca 0.19 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 65.06 1t2r h PRO 35 Cb 0.42 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.56 1t2r h PRO 35 CO -0.46 0.01 -1.09 0.35 -0.23 0.00 0.00 178.00 176.58 1t2r h PHE 36 N 0.00 0.71 -0.00 1.56 3.57 -1.36 -3.25 116.94 118.16 1t2r h PHE 36 Ca -0.00 -0.43 -0.06 0.00 3.53 0.00 0.00 57.97 61.02 1t2r h PHE 36 Cb 0.02 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 38.69 1t2r h PHE 36 CO 0.00 1.27 -0.27 -0.07 -2.23 0.00 0.00 178.31 177.01 1t2r h LEU 37 N 0.22 0.00 -8.78 0.59 -0.00 -0.11 -3.42 115.31 103.82 1t2r h LEU 37 Ca -0.12 -0.00 -0.54 0.00 -0.00 0.00 0.00 57.88 57.22 1t2r h LEU 37 Cb 1.75 -0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 42.40 1t2r h LEU 37 CO 0.19 0.28 1.45 -0.60 -0.00 0.00 0.00 178.44 179.76 1t2r s ARG 38 N -4.42 2.84 0.00 1.13 3.52 -1.02 -2.75 118.95 118.25 1t2r s ARG 38 Ca -0.03 1.50 0.00 0.00 -0.13 0.00 0.00 55.73 57.06 1t2r s ARG 38 Cb 0.15 -4.39 0.00 0.00 -1.56 0.00 0.00 34.95 29.16 1t2r s ARG 38 CO 0.71 -2.45 0.00 0.41 -0.81 0.00 0.00 175.30 173.17 1t2r n GLY 39 N 5.73 2.00 3.90 8.12 0.00 0.16 -4.98 105.19 120.11 1t2r n GLY 39 Ca 0.28 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.08 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 2.25 -0.04 -0.61 -4.36 -1.11 -4.89 121.20 110.44 1t2r s ILE 40 Ca 0.00 -1.37 0.07 0.00 -0.26 0.00 0.00 60.65 59.08 1t2r s ILE 40 Cb 0.00 -2.62 -0.01 0.00 1.25 0.00 0.00 42.46 41.08 1t2r s ILE 40 CO 0.00 0.00 -0.24 0.54 0.24 0.00 0.00 174.94 175.48 1t2r s ASN 41 N -4.23 2.93 -0.05 4.36 2.20 -1.26 0.04 114.94 118.94 1t2r s ASN 41 Ca 0.45 -0.47 0.03 0.00 -0.94 0.00 0.00 52.86 51.92 1t2r s ASN 41 Cb -0.03 -0.63 0.00 0.00 -2.00 0.00 0.00 41.25 38.60 1t2r s ASN 41 CO 0.27 0.26 -0.13 0.68 -2.94 0.00 0.00 177.10 175.24 1t2r s VAL 42 N -0.30 1.13 -0.55 3.54 -7.23 -0.35 -4.56 120.40 112.08 1t2r s VAL 42 Ca 0.01 -0.52 -0.21 0.00 -1.81 0.00 0.00 61.98 59.45 1t2r s VAL 42 Cb -0.12 -1.00 0.06 0.00 0.56 0.00 0.00 36.38 35.88 1t2r s VAL 42 CO 0.02 0.34 0.77 -0.69 -0.31 0.00 0.00 175.10 175.23 1t2r s VAL 43 N 0.32 4.65 -0.23 1.32 1.01 0.12 -0.22 120.40 127.36 1t2r s VAL 43 Ca -0.08 -0.28 -0.26 0.00 0.00 0.00 0.00 61.98 61.37 1t2r s VAL 43 Cb -0.12 -4.44 -0.00 0.00 0.00 0.00 0.00 36.38 31.82 1t2r s VAL 43 CO 0.02 -1.01 0.88 -0.47 0.00 0.00 0.00 175.10 174.52 1t2r s TYR 44 N 3.23 3.33 -0.46 5.22 5.04 0.11 -0.93 117.35 132.89 1t2r s TYR 44 Ca 0.20 1.23 -0.15 0.00 -2.44 0.00 0.00 57.07 55.91 1t2r s TYR 44 Cb -0.17 -3.10 0.07 0.00 0.35 0.00 0.00 41.96 39.11 1t2r s TYR 44 CO 0.13 -0.40 0.38 0.95 -1.34 0.00 0.00 175.55 175.27 1t2r s THR 45 N 2.84 5.14 0.27 4.34 -4.23 -1.07 -2.43 115.64 120.49 1t2r s THR 45 Ca 0.37 -1.08 -0.29 0.00 -1.18 0.00 0.00 61.69 59.51 1t2r s THR 45 Cb -0.15 -4.07 -0.09 0.00 1.34 0.00 0.00 72.50 69.53 1t2r s THR 45 CO 0.08 -0.56 1.01 -2.84 -0.54 0.00 0.00 174.62 171.76 1t2r s PRO 46 N 1.62 4.73 0.76 3.99 0.02 -1.26 -4.93 135.00 139.93 1t2r s PRO 46 Ca 0.04 1.61 -0.14 0.00 0.02 0.00 0.00 61.00 62.53 1t2r s PRO 46 Cb -0.24 -3.20 0.06 0.00 0.02 0.00 0.00 34.50 31.14 1t2r s PRO 46 CO 0.06 0.36 1.22 -1.25 -0.33 0.00 0.00 177.00 177.07 1t2r s PRO 47 N -1.37 1.90 0.49 5.54 0.04 -1.26 -4.82 135.00 135.52 1t2r s PRO 47 Ca 0.43 1.81 0.27 0.00 0.04 0.00 0.00 61.00 63.56 1t2r s PRO 47 Cb -0.28 -1.80 1.47 0.00 0.04 0.00 0.00 34.50 33.93 1t2r s PRO 47 CO 0.35 -2.03 1.80 -0.56 0.04 0.00 0.00 177.00 176.60 1t2r h GLN 48 N -0.52 0.00 0.00 4.56 3.07 -1.95 0.17 115.11 120.44 1t2r h GLN 48 Ca -0.47 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.27 1t2r h GLN 48 Cb 1.30 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.86 1t2r h GLN 48 CO 0.48 0.00 0.00 0.77 0.09 0.00 0.00 178.83 180.17 1t2r h SER 49 N 0.00 0.00 0.15 0.06 0.02 -1.87 -3.20 113.55 108.71 1t2r h SER 49 Ca 0.00 0.00 -0.27 0.00 -0.84 0.00 0.00 61.79 60.68 1t2r h SER 49 Cb 0.33 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.82 1t2r h SER 49 CO 0.00 0.00 -2.11 0.49 -1.14 0.00 0.00 176.83 174.07 1t2r n PHE 50 N -2.48 0.24 -2.77 3.45 3.01 0.58 -4.99 117.46 114.51 1t2r n PHE 50 Ca 0.03 0.08 -0.20 0.00 1.01 0.00 0.00 57.45 58.37 1t2r n PHE 50 Cb 0.35 -0.94 0.01 0.00 -0.01 0.00 0.00 39.48 38.89 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 -2.71 -3.25 -2.30 -1.08 6.02 -1.21 -4.97 117.38 107.88 1t2r n GLN 51 Ca -0.23 0.84 -0.13 0.00 -0.01 0.00 0.00 57.00 57.47 1t2r n GLN 51 Cb 1.00 -5.58 0.05 0.00 1.02 0.00 0.00 30.24 26.72 1t2r n GLN 51 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1t2r n SER 52 N -2.22 1.38 -4.50 1.08 2.88 -1.26 -5.11 113.62 105.88 1t2r n SER 52 Ca -0.15 -2.01 -0.34 0.00 -1.33 0.00 0.00 58.87 55.04 1t2r n SER 52 Cb 0.63 -0.28 -0.12 0.00 -0.75 0.00 0.00 64.21 63.68 1t2r n SER 52 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1t2r s ALA 53 N -2.47 2.90 0.22 -1.46 0.00 -1.26 -4.89 121.76 114.80 1t2r s ALA 53 Ca 0.40 -0.86 -0.32 0.00 0.00 0.00 0.00 51.96 51.18 1t2r s ALA 53 Cb -0.03 -1.37 -0.12 0.00 0.00 0.00 0.00 23.12 21.60 1t2r s ALA 53 CO 0.26 0.34 1.64 -2.30 0.00 0.00 0.00 175.76 175.70 1t2r n PRO 54 N 3.10 2.58 -4.46 0.00 -0.02 -1.26 -4.85 135.00 130.08 1t2r n PRO 54 Ca -0.18 0.93 -0.24 0.00 -2.02 0.00 0.00 63.50 61.99 1t2r n PRO 54 Cb 0.53 -2.73 -0.13 0.00 -0.02 0.00 0.00 33.50 31.14 1t2r n PRO 54 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1t2r s ARG 55 N 0.64 1.21 -0.25 -0.52 0.52 -1.02 -4.89 118.95 114.64 1t2r s ARG 55 Ca 0.73 -1.00 -0.13 0.00 -0.52 0.00 0.00 55.73 54.81 1t2r s ARG 55 Cb -0.55 -1.37 -0.04 0.00 0.52 0.00 0.00 34.95 33.51 1t2r s ARG 55 CO 0.38 0.33 0.30 0.54 0.02 0.00 0.00 175.30 176.88 1t2r s VAL 56 N -0.96 5.24 -0.06 3.52 0.11 -1.25 0.08 120.40 127.08 1t2r s VAL 56 Ca 0.06 0.44 0.05 0.00 -2.93 0.00 0.00 61.98 59.60 1t2r s VAL 56 Cb -0.09 -3.63 -0.02 0.00 -1.53 0.00 0.00 36.38 31.11 1t2r s VAL 56 CO 0.03 0.23 -0.19 -0.31 -3.33 0.00 0.00 175.10 171.53 1t2r s TYR 57 N 1.63 2.57 -0.70 1.54 2.02 0.69 -4.88 117.35 120.23 1t2r s TYR 57 Ca 0.13 -0.46 -0.27 0.00 -0.37 0.00 0.00 57.07 56.10 1t2r s TYR 57 Cb -0.15 -1.63 0.02 0.00 -0.40 0.00 0.00 41.96 39.80 1t2r s TYR 57 CO 0.09 -0.04 1.36 0.50 -1.57 0.00 0.00 175.55 175.88 1t2r s ARG 58 N -0.37 3.14 0.04 -0.62 6.06 -1.26 -1.21 118.95 124.74 1t2r s ARG 58 Ca 0.03 -0.06 -0.30 0.00 -2.50 0.00 0.00 55.73 52.89 1t2r s ARG 58 Cb -0.12 -4.19 -0.06 0.00 0.06 0.00 0.00 34.95 30.64 1t2r s ARG 58 CO 0.02 -2.18 1.32 0.08 -2.50 0.00 0.00 175.30 172.04 1t2r s VAL 59 N 6.13 3.76 0.00 7.11 1.01 0.11 -4.22 120.40 134.30 1t2r s VAL 59 Ca 0.41 1.21 0.07 0.00 0.00 0.00 0.00 61.98 63.67 1t2r s VAL 59 Cb -0.09 -3.78 -0.24 0.00 0.00 0.00 0.00 36.38 32.28 1t2r s VAL 59 CO 0.17 0.05 0.83 0.78 0.00 0.00 0.00 175.10 176.93 1t2r h ASN 60 N 7.25 0.10 0.00 3.32 2.35 -1.21 0.45 115.58 127.85 1t2r h ASN 60 Ca -0.39 -0.17 0.00 0.00 -0.55 0.00 0.00 56.30 55.19 1t2r h ASN 60 Cb 1.19 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 39.53 1t2r h ASN 60 CO 0.87 1.14 0.00 0.61 -1.65 0.00 0.00 177.43 178.40 1t2r n GLY 61 N 1.55 -0.70 3.15 2.83 0.00 -0.37 -3.77 105.19 107.88 1t2r n GLY 61 Ca -0.14 -0.06 -0.08 0.00 0.00 0.00 0.00 46.02 45.74 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 1.92 0.37 0.99 1.43 -1.26 -1.40 118.68 120.73 1t2r s LEU 62 Ca 0.00 -0.86 -0.08 0.00 -1.03 0.00 0.00 54.13 52.16 1t2r s LEU 62 Cb 0.00 0.60 -0.06 0.00 0.03 0.00 0.00 46.19 46.77 1t2r s LEU 62 CO 0.00 -0.68 0.69 -0.55 0.23 0.00 0.00 176.35 176.05 1t2r s SER 63 N -2.91 6.47 0.00 2.29 0.15 0.73 -4.66 113.70 115.77 1t2r s SER 63 Ca 0.08 0.95 0.24 0.00 0.70 0.00 0.00 55.95 57.92 1t2r s SER 63 Cb 0.06 -2.25 0.18 0.00 -1.71 0.00 0.00 66.02 62.31 1t2r s SER 63 CO -0.09 -0.34 1.21 0.54 1.20 0.00 0.00 173.24 175.75 1t2r n ARG 64 N -1.27 1.19 -4.70 5.44 3.00 -1.26 -4.48 116.66 114.57 1t2r n ARG 64 Ca 0.01 -0.93 -0.26 0.00 -0.01 0.00 0.00 57.85 56.65 1t2r n ARG 64 Cb 0.54 -1.48 -0.14 0.00 0.00 0.00 0.00 32.46 31.38 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 -2.46 1.85 0.62 7.54 0.00 -1.26 -5.05 121.76 123.00 1t2r s ALA 65 Ca 0.20 -1.09 -0.16 0.00 0.00 0.00 0.00 51.96 50.91 1t2r s ALA 65 Cb 0.18 -0.37 -0.02 0.00 0.00 0.00 0.00 23.12 22.91 1t2r s ALA 65 CO 0.55 0.42 1.11 -1.25 0.00 0.00 0.00 175.76 176.58 1t2r s PRO 66 N -1.17 3.03 0.45 0.00 0.04 -1.26 -3.63 135.00 132.46 1t2r s PRO 66 Ca 0.08 1.41 0.31 0.00 0.04 0.00 0.00 61.00 62.84 1t2r s PRO 66 Cb -0.09 -1.98 1.57 0.00 0.04 0.00 0.00 34.50 34.04 1t2r s PRO 66 CO 0.02 -1.07 1.94 0.00 0.04 0.00 0.00 177.00 177.92 1t2r h ALA 67 N 0.40 1.00 0.00 8.56 0.00 -1.09 0.18 119.26 128.31 1t2r h ALA 67 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1t2r h ALA 67 Cb 1.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1t2r h ALA 67 CO 0.55 0.00 -0.05 -1.13 0.00 0.00 0.00 179.25 178.62 1t2r n SER 68 N -2.62 0.53 -0.13 0.00 3.41 -0.64 -3.65 113.62 110.53 1t2r n SER 68 Ca -0.01 0.50 -0.25 0.00 -0.26 0.00 0.00 58.87 58.85 1t2r n SER 68 Cb 0.11 -0.61 -0.10 0.00 -0.26 0.00 0.00 64.21 63.36 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 -1.98 1.88 -4.70 4.04 2.88 0.60 -4.95 113.62 111.39 1t2r n SER 69 Ca 0.06 0.20 -0.42 0.00 -1.33 0.00 0.00 58.87 57.38 1t2r n SER 69 Cb 0.40 -0.65 -0.03 0.00 -0.75 0.00 0.00 64.21 63.18 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 -2.47 4.23 0.04 -1.46 2.02 -0.91 -4.97 118.70 115.18 1t2r s GLU 70 Ca -0.35 2.25 0.02 0.00 0.02 0.00 0.00 54.97 56.92 1t2r s GLU 70 Cb 0.12 -3.47 -0.04 0.00 0.10 0.00 0.00 34.13 30.85 1t2r s GLU 70 CO 0.47 -0.65 0.04 0.99 0.02 0.00 0.00 175.26 176.13 1t2r s THR 71 N 2.14 4.36 0.02 3.63 2.01 -1.26 -2.06 115.64 124.48 1t2r s THR 71 Ca 0.70 -0.69 0.08 0.00 0.31 0.00 0.00 61.69 62.10 1t2r s THR 71 Cb -0.39 -3.03 -0.03 0.00 0.01 0.00 0.00 72.50 69.06 1t2r s THR 71 CO 0.31 0.24 -0.25 0.12 -0.69 0.00 0.00 174.62 174.35 1t2r s PHE 72 N -1.25 2.37 -0.37 4.92 5.36 0.16 -4.84 117.98 124.34 1t2r s PHE 72 Ca 0.24 -0.39 -0.07 0.00 -0.96 0.00 0.00 56.93 55.75 1t2r s PHE 72 Cb -0.12 -1.44 0.05 0.00 -0.34 0.00 0.00 43.02 41.18 1t2r s PHE 72 CO 0.16 0.10 0.16 -2.00 -1.46 0.00 0.00 175.22 172.18 1t2r s GLU 73 N -1.07 2.58 -0.33 10.12 2.12 -1.26 -0.47 118.70 130.38 1t2r s GLU 73 Ca 0.12 -1.29 -0.09 0.00 0.36 0.00 0.00 54.97 54.07 1t2r s GLU 73 Cb -0.10 -3.56 0.01 0.00 0.26 0.00 0.00 34.13 30.74 1t2r s GLU 73 CO 0.02 -0.77 0.14 -1.58 -0.54 0.00 0.00 175.26 172.53 1t2r s HIS 74 N 1.40 3.20 -1.68 5.30 5.65 0.25 -4.55 115.29 124.86 1t2r s HIS 74 Ca 0.00 -0.93 0.00 0.00 0.25 0.00 0.00 55.06 54.39 1t2r s HIS 74 Cb -0.21 -2.34 0.00 0.00 -1.18 0.00 0.00 32.58 28.85 1t2r s HIS 74 CO 0.02 -0.59 0.00 -3.47 -0.65 0.00 0.00 174.74 170.06 1t2r n ASP 75 N 4.93 -5.33 0.00 9.88 2.03 -1.26 -0.63 116.55 126.17 1t2r n ASP 75 Ca -0.13 0.10 0.00 0.00 0.52 0.00 0.00 54.79 55.28 1t2r n ASP 75 Cb 0.47 -4.40 0.00 0.00 -0.72 0.00 0.00 41.12 36.47 1t2r n ASP 75 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1t2r n GLY 76 N -0.94 0.96 3.65 0.27 0.00 -1.26 -5.03 105.19 102.84 1t2r n GLY 76 Ca -0.21 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.43 4.07 -0.27 1.61 -0.14 0.20 -5.06 119.74 119.72 1t2r s LYS 77 Ca 0.00 -0.13 -0.22 0.00 -1.36 0.00 0.00 55.97 54.27 1t2r s LYS 77 Cb 0.00 -3.57 -0.01 0.00 -1.68 0.00 0.00 37.83 32.57 1t2r s LYS 77 CO 0.00 -0.03 0.70 0.15 -0.76 0.00 0.00 175.35 175.41 1t2r s LYS 78 N 1.32 4.05 -0.01 1.68 1.02 -1.26 -0.59 119.74 125.96 1t2r s LYS 78 Ca 0.11 0.58 -0.02 0.00 0.02 0.00 0.00 55.97 56.67 1t2r s LYS 78 Cb -0.14 -3.68 -0.00 0.00 -0.52 0.00 0.00 37.83 33.48 1t2r s LYS 78 CO 0.07 -0.52 0.03 0.14 -0.92 0.00 0.00 175.35 174.15 1t2r s VAL 79 N 2.69 0.03 0.88 3.17 -7.23 0.37 -4.95 120.40 115.36 1t2r s VAL 79 Ca 0.29 -0.23 -0.11 0.00 -1.81 0.00 0.00 61.98 60.12 1t2r s VAL 79 Cb -0.15 -0.13 0.12 0.00 0.56 0.00 0.00 36.38 36.78 1t2r s VAL 79 CO 0.10 -0.12 1.09 0.42 -0.31 0.00 0.00 175.10 176.28 1t2r s THR 80 N -0.36 2.75 0.29 5.32 -4.23 -1.26 0.36 115.64 118.51 1t2r s THR 80 Ca -0.04 0.25 0.04 0.00 -1.18 0.00 0.00 61.69 60.75 1t2r s THR 80 Cb -0.03 -2.71 0.29 0.00 1.34 0.00 0.00 72.50 71.39 1t2r s THR 80 CO -0.00 -0.32 1.78 0.40 -0.54 0.00 0.00 174.62 175.94 1t2r h ILE 81 N -1.50 0.74 -0.48 2.99 1.08 -1.52 0.15 117.51 118.98 1t2r h ILE 81 Ca -0.48 -0.26 -0.06 0.00 -0.39 0.00 0.00 64.86 63.66 1t2r h ILE 81 Cb 1.27 -0.10 -0.02 0.00 -3.07 0.00 0.00 36.82 34.91 1t2r h ILE 81 CO 0.53 0.14 0.05 0.00 -0.69 0.00 0.00 178.15 178.19 1t2r h ALA 82 N 1.61 1.20 -0.06 1.87 0.00 -1.85 -2.07 119.26 119.97 1t2r h ALA 82 Ca 0.54 -0.23 -0.16 0.00 0.00 0.00 0.00 54.91 55.06 1t2r h ALA 82 Cb 0.79 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1t2r h ALA 82 CO -0.36 0.53 -0.68 0.77 0.00 0.00 0.00 179.25 179.51 1t2r h SER 83 N 0.72 0.30 -0.70 0.00 0.02 -1.11 0.23 113.55 113.01 1t2r h SER 83 Ca 0.15 -0.19 -0.04 0.00 -0.84 0.00 0.00 61.79 60.88 1t2r h SER 83 Cb 0.36 -0.09 -0.03 0.00 0.14 0.00 0.00 62.40 62.79 1t2r h SER 83 CO 0.01 0.89 0.30 0.22 -1.14 0.00 0.00 176.83 177.10 1t2r h TYR 84 N 0.18 1.05 -0.01 3.45 3.20 -0.73 -0.32 116.97 123.78 1t2r h TYR 84 Ca -0.02 -0.07 -0.00 0.00 3.14 0.00 0.00 58.73 61.78 1t2r h TYR 84 Cb 1.22 -0.32 -0.00 0.00 1.54 0.00 0.00 36.73 39.17 1t2r h TYR 84 CO 0.03 0.80 0.00 0.74 -1.64 0.00 0.00 178.16 178.09 1t2r h PHE 85 N 0.99 0.02 -0.82 -3.82 0.04 -1.16 -3.15 116.94 109.04 1t2r h PHE 85 Ca 0.24 -0.00 0.16 0.00 2.80 0.00 0.00 57.97 61.17 1t2r h PHE 85 Cb 0.18 -0.01 -0.06 0.00 2.20 0.00 0.00 35.95 38.27 1t2r h PHE 85 CO 0.01 0.31 0.54 1.25 -0.60 0.00 0.00 178.31 179.82 1t2r h HIS 86 N -0.26 0.56 0.00 -0.55 2.76 -0.09 0.30 115.15 117.86 1t2r h HIS 86 Ca 0.00 0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 58.19 1t2r h HIS 86 Cb 0.30 -0.17 -0.00 0.00 1.55 0.00 0.00 27.41 29.08 1t2r h HIS 86 CO 0.03 0.19 -0.01 0.77 -1.30 0.00 0.00 177.93 177.61 1t2r h SER 87 N 0.46 0.00 -0.71 3.26 0.02 -1.02 -1.38 113.55 114.19 1t2r h SER 87 Ca 0.41 0.00 -0.28 0.00 -0.84 0.00 0.00 61.79 61.08 1t2r h SER 87 Cb 0.92 0.00 -0.17 0.00 0.14 0.00 0.00 62.40 63.30 1t2r h SER 87 CO -0.15 0.01 0.30 0.54 -1.14 0.00 0.00 176.83 176.39 1t2r n ARG 88 N -3.67 2.87 -3.48 3.45 5.12 0.10 -4.91 116.66 116.15 1t2r n ARG 88 Ca -0.03 -3.07 -0.21 0.00 -1.93 0.00 0.00 57.85 52.62 1t2r n ARG 88 Cb 0.09 -2.10 0.06 0.00 -1.16 0.00 0.00 32.46 29.34 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 -0.66 -4.44 -3.13 0.55 4.05 -0.52 -4.79 115.26 106.32 1t2r n ASN 89 Ca 0.44 -0.79 -0.19 0.00 0.45 0.00 0.00 54.58 54.48 1t2r n ASN 89 Cb 1.37 -4.53 -0.05 0.00 1.23 0.00 0.00 39.78 37.81 1t2r n ASN 89 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1t2r n TYR 90 N -3.81 -1.62 -2.84 1.20 9.36 -1.07 -4.81 117.16 113.57 1t2r n TYR 90 Ca -0.16 -2.82 -0.33 0.00 3.32 0.00 0.00 57.90 57.91 1t2r n TYR 90 Cb 0.63 0.47 -0.06 0.00 -0.63 0.00 0.00 39.34 39.76 1t2r n TYR 90 CO 0.00 0.00 0.00 -1.25 0.22 0.00 0.00 176.86 175.83 1t2r s PRO 91 N -0.10 4.11 -0.03 2.98 0.04 -1.26 -2.27 135.00 138.47 1t2r s PRO 91 Ca 0.33 0.95 -0.05 0.00 0.04 0.00 0.00 61.00 62.27 1t2r s PRO 91 Cb 0.10 -2.25 -0.04 0.00 0.04 0.00 0.00 34.50 32.35 1t2r s PRO 91 CO -0.15 -0.02 0.21 -0.51 0.04 0.00 0.00 177.00 176.56 1t2r s LEU 92 N -3.30 4.38 0.08 -3.56 1.43 -1.26 -5.01 118.68 111.44 1t2r s LEU 92 Ca 0.59 0.47 -0.09 0.00 -1.03 0.00 0.00 54.13 54.06 1t2r s LEU 92 Cb -0.09 -2.50 -0.23 0.00 0.03 0.00 0.00 46.19 43.40 1t2r s LEU 92 CO 0.18 0.30 1.17 0.11 0.23 0.00 0.00 176.35 178.34 1t2r h LYS 93 N 4.19 0.49 -2.33 1.70 1.57 -1.99 -3.39 116.57 116.79 1t2r h LYS 93 Ca -0.51 -0.64 -0.59 0.00 -1.87 0.00 0.00 60.65 57.04 1t2r h LYS 93 Cb 1.20 0.21 -0.40 0.00 0.08 0.00 0.00 32.23 33.32 1t2r h LYS 93 CO 0.65 1.26 -0.84 1.19 -0.57 0.00 0.00 179.45 181.15 1t2r n PHE 94 N -3.72 1.28 0.26 -1.35 3.72 -1.26 -4.90 117.46 111.49 1t2r n PHE 94 Ca -0.10 -3.81 0.04 0.00 -0.05 0.00 0.00 57.45 53.52 1t2r n PHE 94 Cb 0.95 -0.32 0.16 0.00 -0.94 0.00 0.00 39.48 39.33 1t2r n PHE 94 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 1t2r n PRO 95 N 1.67 0.01 -0.40 -1.08 -0.02 -1.26 -1.83 135.00 132.09 1t2r n PRO 95 Ca 0.25 0.36 0.05 0.00 -2.02 0.00 0.00 63.50 62.14 1t2r n PRO 95 Cb 0.45 -1.50 0.21 0.00 -0.02 0.00 0.00 33.50 32.64 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 -1.48 2.76 -3.36 -0.52 -0.06 -1.26 -1.62 117.38 111.84 1t2r n GLN 96 Ca 0.02 -1.64 -0.34 0.00 -2.00 0.00 0.00 57.00 53.04 1t2r n GLN 96 Cb 0.08 -1.73 -0.06 0.00 -4.06 0.00 0.00 30.24 24.48 1t2r n GLN 96 CO 0.00 0.00 0.00 -0.48 -0.20 0.00 0.00 177.06 176.38 1t2r s LEU 97 N -1.35 4.24 -0.23 1.69 0.05 -0.76 -3.51 118.68 118.81 1t2r s LEU 97 Ca 0.29 1.04 -0.27 0.00 0.05 0.00 0.00 54.13 55.23 1t2r s LEU 97 Cb 0.20 -3.53 0.00 0.00 -2.05 0.00 0.00 46.19 40.81 1t2r s LEU 97 CO 0.12 -0.00 0.97 -1.00 -0.55 0.00 0.00 176.35 175.88 1t2r s HIS 98 N -1.67 3.33 0.69 3.48 3.76 -1.26 -1.70 115.29 121.92 1t2r s HIS 98 Ca 0.44 1.36 -0.16 0.00 -0.15 0.00 0.00 55.06 56.54 1t2r s HIS 98 Cb -0.13 -3.19 -0.01 0.00 1.11 0.00 0.00 32.58 30.35 1t2r s HIS 98 CO 0.20 -0.45 0.88 0.00 -0.85 0.00 0.00 174.74 174.52 1t2r s LEU 100 N -2.31 4.14 -0.66 0.00 2.96 0.13 -0.19 118.68 122.75 1t2r s LEU 100 Ca 0.73 0.42 -0.26 0.00 -0.22 0.00 0.00 54.13 54.79 1t2r s LEU 100 Cb -0.36 -2.99 0.04 0.00 0.50 0.00 0.00 46.19 43.38 1t2r s LEU 100 CO 0.51 -0.66 1.15 0.21 -1.32 0.00 0.00 176.35 176.24 1t2r s ASN 101 N 1.76 6.26 0.00 3.68 3.84 -0.49 -0.21 114.94 129.77 1t2r s ASN 101 Ca 0.30 -0.40 0.00 0.00 0.21 0.00 0.00 52.86 52.97 1t2r s ASN 101 Cb -0.14 -2.51 0.00 0.00 -0.55 0.00 0.00 41.25 38.05 1t2r s ASN 101 CO 0.15 -1.59 0.00 1.33 -2.79 0.00 0.00 177.10 174.20 1t2r n VAL 102 N 6.34 0.00 0.00 -5.21 0.24 0.55 -0.89 118.33 119.36 1t2r n VAL 102 Ca 0.03 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.33 1t2r n VAL 102 Cb 0.48 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.85 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 3.27 1.35 2.85 7.63 0.00 -1.26 -2.51 105.19 116.51 1t2r n GLY 103 Ca 0.00 -0.75 -0.10 0.00 0.00 0.00 0.00 46.02 45.16 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 4.07 -1.37 0.03 1.61 3.41 0.57 -4.74 113.62 117.20 1t2r n SER 104 Ca 0.00 -2.45 -0.00 0.00 -0.26 0.00 0.00 58.87 56.16 1t2r n SER 104 Cb 0.00 2.43 0.30 0.00 -0.26 0.00 0.00 64.21 66.69 1t2r n SER 104 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1t2r h SER 105 N 1.60 0.41 0.11 4.04 4.64 -2.00 -3.17 113.55 119.19 1t2r h SER 105 Ca -0.24 -0.09 -0.26 0.00 -0.47 0.00 0.00 61.79 60.73 1t2r h SER 105 Cb 0.98 -0.11 -0.00 0.00 -0.31 0.00 0.00 62.40 62.96 1t2r h SER 105 CO 0.32 0.54 -1.30 0.16 -0.87 0.00 0.00 176.83 175.67 1t2r h ILE 106 N 0.41 1.10 -2.99 0.95 3.07 -1.99 -3.40 117.51 114.68 1t2r h ILE 106 Ca 0.08 -2.41 -0.75 0.00 1.55 0.00 0.00 64.86 63.34 1t2r h ILE 106 Cb 0.40 2.77 -0.22 0.00 -0.27 0.00 0.00 36.82 39.51 1t2r h ILE 106 CO 0.02 0.69 0.65 -0.75 -1.05 0.00 0.00 178.15 177.71 1t2r s LYS 107 N -2.46 3.80 -0.72 0.16 2.47 -1.20 -4.98 119.74 116.80 1t2r s LYS 107 Ca -0.19 -2.38 -0.26 0.00 -1.56 0.00 0.00 55.97 51.58 1t2r s LYS 107 Cb 0.04 -4.74 0.04 0.00 -1.46 0.00 0.00 37.83 31.71 1t2r s LYS 107 CO 0.77 -1.54 1.20 -1.12 0.16 0.00 0.00 175.35 174.82 1t2r s SER 108 N 2.64 6.17 0.18 1.43 0.01 -1.22 -0.32 113.70 122.59 1t2r s SER 108 Ca 0.30 -0.60 0.10 0.00 1.31 0.00 0.00 55.95 57.07 1t2r s SER 108 Cb -0.07 -2.52 -0.04 0.00 0.21 0.00 0.00 66.02 63.59 1t2r s SER 108 CO -0.07 -1.74 -0.19 0.27 0.41 0.00 0.00 173.24 171.92 1t2r s ILE 109 N 5.31 2.64 -0.20 1.44 -4.36 -1.05 -5.00 121.20 119.98 1t2r s ILE 109 Ca 0.32 -1.86 0.01 0.00 -0.26 0.00 0.00 60.65 58.86 1t2r s ILE 109 Cb -0.10 -2.27 0.04 0.00 1.25 0.00 0.00 42.46 41.38 1t2r s ILE 109 CO 0.14 -0.08 -0.13 -0.76 0.24 0.00 0.00 174.94 174.34 1t2r s LEU 110 N -2.64 2.32 -0.03 0.37 1.02 -1.24 -0.33 118.68 118.15 1t2r s LEU 110 Ca 0.21 -0.85 0.01 0.00 0.02 0.00 0.00 54.13 53.52 1t2r s LEU 110 Cb -0.09 -1.32 -0.03 0.00 0.02 0.00 0.00 46.19 44.78 1t2r s LEU 110 CO 0.11 -0.11 -0.04 -0.76 0.02 0.00 0.00 176.35 175.57 1t2r s LEU 111 N 1.35 3.33 -0.25 1.79 1.43 0.71 -4.70 118.68 122.33 1t2r s LEU 111 Ca -0.00 -0.03 -0.29 0.00 -1.03 0.00 0.00 54.13 52.78 1t2r s LEU 111 Cb -0.16 -1.84 -0.03 0.00 0.03 0.00 0.00 46.19 44.19 1t2r s LEU 111 CO -0.09 0.32 1.86 -2.16 0.23 0.00 0.00 176.35 176.51 1t2r s PRO 112 N -1.21 3.45 0.64 1.29 0.04 -1.26 0.21 135.00 138.16 1t2r s PRO 112 Ca 0.16 1.69 0.35 0.00 0.04 0.00 0.00 61.00 63.25 1t2r s PRO 112 Cb -0.11 -4.19 1.96 0.00 0.04 0.00 0.00 34.50 32.19 1t2r s PRO 112 CO 0.06 -1.72 2.17 0.97 0.04 0.00 0.00 177.00 178.52 1t2r h ILE 113 N 6.65 0.17 0.00 0.56 2.10 -1.94 -2.00 117.51 123.06 1t2r h ILE 113 Ca -0.36 0.00 -0.01 0.00 1.08 0.00 0.00 64.86 65.56 1t2r h ILE 113 Cb 1.18 0.86 -0.00 0.00 -1.09 0.00 0.00 36.82 37.78 1t2r h ILE 113 CO 1.00 0.00 -0.06 1.05 -1.08 0.00 0.00 178.15 179.06 1t2r h GLU 114 N 0.00 0.00 -0.30 2.19 4.11 -1.93 -1.51 114.58 117.14 1t2r h GLU 114 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.46 1t2r h GLU 114 Cb 0.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.57 1t2r h GLU 114 CO -0.00 0.06 0.00 1.28 0.07 0.00 0.00 179.01 180.42 1t2r n LEU 115 N -3.83 4.12 -4.63 3.06 4.77 -0.75 -4.74 117.00 115.00 1t2r n LEU 115 Ca -0.02 -2.99 -0.37 0.00 -0.03 0.00 0.00 56.01 52.59 1t2r n LEU 115 Cb 0.16 -0.56 -0.10 0.00 -2.33 0.00 0.00 43.42 40.59 1t2r n LEU 115 CO 0.29 0.67 -0.18 0.00 -1.33 0.00 0.00 177.39 176.84 1t2r s SER 117 N 1.25 5.49 -0.35 0.00 0.15 -0.10 -0.40 113.70 119.73 1t2r s SER 117 Ca 0.07 -1.08 -0.18 0.00 0.70 0.00 0.00 55.95 55.46 1t2r s SER 117 Cb -0.14 -1.93 -0.00 0.00 -1.71 0.00 0.00 66.02 62.23 1t2r s SER 117 CO 0.06 -0.35 0.50 -0.51 1.20 0.00 0.00 173.24 174.14 1t2r s ILE 118 N 1.46 5.03 0.20 6.45 2.07 0.15 0.10 121.20 136.67 1t2r s ILE 118 Ca -0.00 0.29 -0.30 0.00 -1.41 0.00 0.00 60.65 59.23 1t2r s ILE 118 Cb -0.19 -3.95 -0.08 0.00 0.13 0.00 0.00 42.46 38.36 1t2r s ILE 118 CO 0.04 -0.21 0.96 -1.61 -1.91 0.00 0.00 174.94 172.21 1t2r s GLU 119 N 2.35 4.80 0.10 3.50 2.02 -1.26 -0.29 118.70 129.92 1t2r s GLU 119 Ca 0.18 1.50 0.23 0.00 0.02 0.00 0.00 54.97 56.90 1t2r s GLU 119 Cb -0.16 -3.30 0.91 0.00 0.10 0.00 0.00 34.13 31.68 1t2r s GLU 119 CO 0.13 0.41 1.71 0.39 0.02 0.00 0.00 175.26 177.92 1t2r n GLU 120 N 1.86 0.09 -0.59 1.61 1.02 0.48 -4.14 120.64 120.97 1t2r n GLU 120 Ca -0.01 0.21 -0.06 0.00 -0.02 0.00 0.00 57.16 57.29 1t2r n GLU 120 Cb 0.47 -1.64 -0.08 0.00 -0.02 0.00 0.00 31.44 30.17 1t2r n GLU 120 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1t2r n GLY 121 N 0.67 2.24 0.10 0.62 0.00 -1.26 -3.80 105.19 103.76 1t2r n GLY 121 Ca 0.05 -0.58 0.12 0.00 0.00 0.00 0.00 46.02 45.60 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 3.28 0.00 -0.02 1.61 4.20 -1.97 -3.54 115.11 118.66 1t2r h GLN 122 Ca 0.09 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.80 1t2r h GLN 122 Cb 0.95 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.73 1t2r h GLN 122 CO 0.21 0.00 0.00 0.00 -0.67 0.00 0.00 178.83 178.37