#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t6r s ASN 2 N 0.00 -0.09 0.09 6.12 2.47 -1.26 -5.19 114.94 117.08 1t6r s ASN 2 Ca 0.00 -0.76 0.02 0.00 0.42 0.00 0.00 52.86 52.54 1t6r s ASN 2 Cb 0.00 0.52 -0.04 0.00 -1.45 0.00 0.00 41.25 40.28 1t6r s ASN 2 CO 0.00 -1.00 -0.07 0.21 -3.72 0.00 0.00 177.10 172.52 1t6r s ASN 3 N -2.95 1.08 0.38 -4.21 2.47 -1.26 -5.10 114.94 105.35 1t6r s ASN 3 Ca 0.16 -0.90 -0.26 0.00 0.42 0.00 0.00 52.86 52.28 1t6r s ASN 3 Cb 0.01 0.08 -0.12 0.00 -1.45 0.00 0.00 41.25 39.77 1t6r s ASN 3 CO 0.01 -0.41 1.04 -0.11 -3.72 0.00 0.00 177.10 173.92 1t6r n LEU 4 N 0.30 2.51 -3.93 3.21 7.94 -1.26 -4.83 117.00 120.93 1t6r n LEU 4 Ca -0.15 1.09 -0.09 0.00 -1.11 0.00 0.00 56.01 55.76 1t6r n LEU 4 Cb 0.59 -1.35 -0.08 0.00 0.53 0.00 0.00 43.42 43.11 1t6r n LEU 4 CO 0.28 -1.34 -0.15 -0.54 -1.11 0.00 0.00 177.39 174.54 1t6r s LYS 5 N -1.87 0.85 0.02 1.96 1.02 -0.27 -5.02 119.74 116.42 1t6r s LYS 5 Ca 0.61 -1.07 0.01 0.00 0.02 0.00 0.00 55.97 55.54 1t6r s LYS 5 Cb -0.59 0.32 -0.01 0.00 -0.52 0.00 0.00 37.83 37.02 1t6r s LYS 5 CO 0.58 -0.26 -0.04 -0.51 -0.92 0.00 0.00 175.35 174.20 1t6r s LEU 6 N -2.90 2.13 -0.23 3.17 1.43 -1.26 -1.04 118.68 119.98 1t6r s LEU 6 Ca 0.08 -0.30 0.10 0.00 -1.03 0.00 0.00 54.13 52.99 1t6r s LEU 6 Cb 0.05 -0.11 0.43 0.00 0.03 0.00 0.00 46.19 46.60 1t6r s LEU 6 CO -0.08 -0.10 1.21 -0.67 0.23 0.00 0.00 176.35 176.93 1t6r n ASP 7 N 2.25 2.80 -4.62 2.29 2.03 -0.72 -4.98 116.55 115.60 1t6r n ASP 7 Ca -0.18 -3.82 -0.55 0.00 0.52 0.00 0.00 54.79 50.76 1t6r n ASP 7 Cb 0.57 -0.46 -0.07 0.00 -0.72 0.00 0.00 41.12 40.44 1t6r n ASP 7 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 1t6r n ILE 8 N -0.96 0.07 -4.08 5.18 5.41 -1.26 -4.53 119.36 119.20 1t6r n ILE 8 Ca 0.27 -0.01 -0.11 0.00 1.00 0.00 0.00 62.75 63.90 1t6r n ILE 8 Cb 0.79 -0.79 -0.11 0.00 -0.71 0.00 0.00 39.64 38.82 1t6r n ILE 8 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 1t6r s VAL 9 N 1.28 0.49 -0.13 1.39 1.01 0.03 -5.01 120.40 119.47 1t6r s VAL 9 Ca 0.90 -1.36 0.16 0.00 0.00 0.00 0.00 61.98 61.68 1t6r s VAL 9 Cb -1.05 -0.94 0.40 0.00 0.00 0.00 0.00 36.38 34.78 1t6r s VAL 9 CO 0.54 -0.59 1.19 -0.62 0.00 0.00 0.00 175.10 175.62 1t6r n GLU 10 N 0.94 0.99 -0.94 2.72 1.02 -1.26 -0.52 120.64 123.58 1t6r n GLU 10 Ca -0.19 -2.74 -0.29 0.00 -0.02 0.00 0.00 57.16 53.92 1t6r n GLU 10 Cb 0.57 -1.04 0.20 0.00 -0.02 0.00 0.00 31.44 31.15 1t6r n GLU 10 CO 0.00 0.00 0.00 -1.14 1.18 0.00 0.00 177.13 177.17 1t6r s GLN 11 N -2.03 -0.06 -0.22 3.49 0.74 -1.25 -4.25 119.66 116.09 1t6r s GLN 11 Ca 0.35 0.64 0.00 0.00 0.05 0.00 0.00 55.36 56.40 1t6r s GLN 11 Cb 0.35 -1.67 0.00 0.00 1.10 0.00 0.00 33.01 32.79 1t6r s GLN 11 CO -0.09 -3.09 0.00 -0.25 -0.55 0.00 0.00 175.29 171.30 1t6r n ASP 12 N -4.45 -5.95 -0.13 6.67 8.00 -1.26 -1.63 116.55 117.81 1t6r n ASP 12 Ca 0.04 0.05 -0.02 0.00 0.71 0.00 0.00 54.79 55.58 1t6r n ASP 12 Cb 0.56 -3.63 -0.01 0.00 -0.02 0.00 0.00 41.12 38.02 1t6r n ASP 12 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1t6r n ASP 13 N -1.04 -4.15 -4.98 -2.24 8.00 -1.26 -5.04 116.55 105.84 1t6r n ASP 13 Ca -0.02 0.04 -0.20 0.00 0.71 0.00 0.00 54.79 55.32 1t6r n ASP 13 Cb 0.52 -1.79 0.02 0.00 -0.02 0.00 0.00 41.12 39.85 1t6r n ASP 13 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 1t6r s LYS 14 N -1.17 2.47 -0.10 -1.24 2.47 -0.65 -4.80 119.74 116.72 1t6r s LYS 14 Ca 0.00 -1.59 0.02 0.00 -1.56 0.00 0.00 55.97 52.84 1t6r s LYS 14 Cb 0.00 -2.54 -0.02 0.00 -1.46 0.00 0.00 37.83 33.81 1t6r s LYS 14 CO 0.00 -0.57 -0.16 0.00 0.16 0.00 0.00 175.35 174.78 1t6r s ALA 15 N -2.57 2.52 -0.00 3.13 0.00 -0.67 -3.78 121.76 120.39 1t6r s ALA 15 Ca 0.53 -0.94 0.04 0.00 0.00 0.00 0.00 51.96 51.60 1t6r s ALA 15 Cb -0.06 -1.04 -0.01 0.00 0.00 0.00 0.00 23.12 22.01 1t6r s ALA 15 CO 0.33 0.35 -0.14 0.42 0.00 0.00 0.00 175.76 176.72 1t6r s ILE 16 N 0.01 1.12 -0.29 0.00 1.01 0.32 -0.91 121.20 122.45 1t6r s ILE 16 Ca -0.05 -0.66 -0.01 0.00 0.00 0.00 0.00 60.65 59.92 1t6r s ILE 16 Cb -0.15 -0.94 0.13 0.00 0.01 0.00 0.00 42.46 41.51 1t6r s ILE 16 CO 0.04 0.27 0.27 0.54 0.00 0.00 0.00 174.94 176.06 1t6r s VAL 17 N -0.41 -0.35 -0.51 2.92 0.11 -0.96 -0.78 120.40 120.41 1t6r s VAL 17 Ca 0.05 -0.52 -0.28 0.00 -2.93 0.00 0.00 61.98 58.30 1t6r s VAL 17 Cb -0.06 -0.98 0.01 0.00 -1.53 0.00 0.00 36.38 33.83 1t6r s VAL 17 CO -0.00 -0.50 1.39 -0.13 -3.33 0.00 0.00 175.10 172.53 1t6r s ARG 18 N 2.32 3.41 0.13 1.54 0.52 -1.26 -1.15 118.95 124.46 1t6r s ARG 18 Ca 0.09 0.59 -0.23 0.00 -0.52 0.00 0.00 55.73 55.67 1t6r s ARG 18 Cb -0.14 -4.08 -0.07 0.00 0.52 0.00 0.00 34.95 31.17 1t6r s ARG 18 CO -0.33 -1.79 0.69 0.08 0.02 0.00 0.00 175.30 173.97 1t6r s VAL 19 N 5.75 4.52 -0.23 3.52 1.01 -0.39 -1.75 120.40 132.83 1t6r s VAL 19 Ca 0.54 1.50 -0.00 0.00 0.00 0.00 0.00 61.98 64.02 1t6r s VAL 19 Cb -0.11 -4.04 0.06 0.00 0.00 0.00 0.00 36.38 32.30 1t6r s VAL 19 CO 0.28 0.53 -0.02 -1.10 0.00 0.00 0.00 175.10 174.78 1t6r s GLN 20 N -1.16 1.30 0.00 2.72 -0.21 -0.20 -3.56 119.66 118.54 1t6r s GLN 20 Ca 0.33 -0.84 0.00 0.00 0.02 0.00 0.00 55.36 54.87 1t6r s GLN 20 Cb -0.21 -2.44 0.00 0.00 1.00 0.00 0.00 33.01 31.36 1t6r s GLN 20 CO 0.23 -0.63 0.00 0.41 -2.12 0.00 0.00 175.29 173.18 1t6r n GLY 21 N 4.78 -1.72 3.08 3.09 0.00 -1.26 -1.12 105.19 112.04 1t6r n GLY 21 Ca -0.10 -1.46 -0.26 0.00 0.00 0.00 0.00 46.02 44.20 1t6r n GLY 21 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1t6r s ASP 22 N -0.87 1.99 -0.59 1.61 1.01 -1.26 -3.22 116.67 115.34 1t6r s ASP 22 Ca 0.00 -0.34 -0.21 0.00 0.71 0.00 0.00 52.55 52.72 1t6r s ASP 22 Cb 0.00 -0.79 0.08 0.00 1.01 0.00 0.00 42.92 43.22 1t6r s ASP 22 CO 0.00 0.08 0.80 -0.63 0.21 0.00 0.00 175.17 175.63 1t6r s ILE 23 N 0.41 4.62 0.38 0.77 1.01 -0.32 -4.73 121.20 123.34 1t6r s ILE 23 Ca -0.11 -0.55 0.04 0.00 0.00 0.00 0.00 60.65 60.03 1t6r s ILE 23 Cb -0.14 -4.52 -0.03 0.00 0.01 0.00 0.00 42.46 37.77 1t6r s ILE 23 CO 0.04 -1.17 0.13 -0.62 0.00 0.00 0.00 174.94 173.32 1t6r s ASP 24 N 3.37 2.47 0.44 3.58 2.15 -1.26 -1.43 116.67 126.00 1t6r s ASP 24 Ca 0.18 -1.62 0.05 0.00 0.43 0.00 0.00 52.55 51.59 1t6r s ASP 24 Cb -0.20 0.41 0.26 0.00 -0.30 0.00 0.00 42.92 43.09 1t6r s ASP 24 CO 0.10 -0.89 1.00 0.00 -0.17 0.00 0.00 175.17 175.22 1t6r h ALA 25 N 1.92 1.56 0.00 3.66 0.00 -1.96 0.29 119.26 124.72 1t6r h ALA 25 Ca -0.35 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1t6r h ALA 25 Cb 1.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1t6r h ALA 25 CO 0.57 -0.56 -0.00 1.88 0.00 0.00 0.00 179.25 181.14 1t6r h TYR 26 N 0.00 0.00 0.00 0.00 0.05 -1.95 -3.37 116.97 111.70 1t6r h TYR 26 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1t6r h TYR 26 Cb 1.40 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.14 1t6r h TYR 26 CO 0.00 0.00 -0.10 0.09 -1.05 0.00 0.00 178.16 177.10 1t6r n ASN 27 N -2.46 0.47 0.23 3.88 3.02 0.38 -4.63 115.26 116.14 1t6r n ASN 27 Ca 0.05 0.00 0.18 0.00 -0.03 0.00 0.00 54.58 54.78 1t6r n ASN 27 Cb 0.45 0.03 0.84 0.00 -0.61 0.00 0.00 39.78 40.50 1t6r n ASN 27 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 1t6r h SER 28 N 0.00 0.00 0.00 6.41 4.64 -0.80 0.51 113.55 124.31 1t6r h SER 28 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1t6r h SER 28 Cb 0.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 1t6r h SER 28 CO 0.00 0.00 0.00 -0.24 -0.87 0.00 0.00 176.83 175.72 1t6r n SER 29 N -3.43 0.00 0.04 4.97 2.88 -1.26 -3.38 113.62 113.45 1t6r n SER 29 Ca 0.02 0.70 -0.20 0.00 -1.33 0.00 0.00 58.87 58.05 1t6r n SER 29 Cb 0.40 -0.20 -0.15 0.00 -0.75 0.00 0.00 64.21 63.51 1t6r n SER 29 CO 0.00 0.00 0.00 1.05 -1.23 0.00 0.00 175.04 174.86 1t6r h GLU 30 N 0.00 0.29 -1.16 -1.46 4.11 -1.47 -3.15 114.58 111.74 1t6r h GLU 30 Ca 0.00 -0.50 0.42 0.00 0.07 0.00 0.00 59.36 59.34 1t6r h GLU 30 Cb 0.00 0.19 -0.15 0.00 0.50 0.00 0.00 28.75 29.29 1t6r h GLU 30 CO 0.00 1.24 0.70 1.25 0.07 0.00 0.00 179.01 182.27 1t6r h LEU 31 N -0.36 0.31 0.15 3.06 5.85 -0.27 0.73 115.31 124.78 1t6r h LEU 31 Ca -0.17 0.19 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 1t6r h LEU 31 Cb 1.67 0.18 0.00 0.00 0.37 0.00 0.00 40.66 42.89 1t6r h LEU 31 CO 0.14 -0.28 -0.07 0.50 -0.34 0.00 0.00 178.44 178.39 1t6r h LYS 32 N 0.09 -0.20 -0.07 1.25 3.64 -1.55 -0.60 116.57 119.12 1t6r h LYS 32 Ca 0.82 0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 60.18 1t6r h LYS 32 Cb 2.34 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 34.20 1t6r h LYS 32 CO -0.58 0.14 -0.12 1.49 -2.27 0.00 0.00 179.45 178.10 1t6r h GLU 33 N -0.55 0.11 0.19 1.90 4.81 -0.98 0.19 114.58 120.25 1t6r h GLU 33 Ca -0.02 -0.02 -0.29 0.00 -0.13 0.00 0.00 59.36 58.90 1t6r h GLU 33 Cb 0.42 -0.02 0.02 0.00 0.63 0.00 0.00 28.75 29.81 1t6r h GLU 33 CO 0.03 0.23 -1.35 1.96 -0.73 0.00 0.00 179.01 179.15 1t6r h GLN 34 N 0.10 0.41 -0.77 1.92 4.20 -0.91 -1.26 115.11 118.80 1t6r h GLN 34 Ca 0.02 -0.70 -0.01 0.00 0.06 0.00 0.00 58.65 58.02 1t6r h GLN 34 Cb 0.28 0.26 -0.04 0.00 0.30 0.00 0.00 27.48 28.29 1t6r h GLN 34 CO 0.02 1.34 0.43 -0.07 -0.67 0.00 0.00 178.83 179.87 1t6r h LEU 35 N -0.06 0.95 -1.74 1.46 -0.00 -1.01 0.14 115.31 115.05 1t6r h LEU 35 Ca -0.25 -0.07 0.00 0.00 -0.00 0.00 0.00 57.88 57.55 1t6r h LEU 35 Cb 1.96 -0.24 0.00 0.00 -0.00 0.00 0.00 40.66 42.38 1t6r h LEU 35 CO 0.19 0.76 0.00 -0.09 -0.00 0.00 0.00 178.44 179.30 1t6r h ARG 36 N 1.08 0.00 0.05 1.13 2.43 -0.88 -1.01 114.38 117.18 1t6r h ARG 36 Ca 0.27 0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.37 1t6r h ARG 36 Cb 0.01 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 29.57 1t6r h ARG 36 CO -0.05 0.00 -0.36 -0.97 -1.51 0.00 0.00 179.97 177.09 1t6r h ASN 37 N 0.00 0.17 -0.44 -3.80 -0.73 -0.29 -3.35 115.58 107.14 1t6r h ASN 37 Ca 0.00 -0.97 0.07 0.00 1.87 0.00 0.00 56.30 57.28 1t6r h ASN 37 Cb 0.40 -0.06 -0.09 0.00 0.27 0.00 0.00 38.32 38.84 1t6r h ASN 37 CO 0.00 1.17 -0.44 0.15 -0.37 0.00 0.00 177.43 177.93 1t6r h PHE 38 N -0.76 -1.30 -0.00 0.67 3.57 -0.33 0.02 116.94 118.81 1t6r h PHE 38 Ca -0.07 0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.51 1t6r h PHE 38 Cb 1.25 0.63 -0.00 0.00 2.79 0.00 0.00 35.95 40.62 1t6r h PHE 38 CO 0.24 -0.44 0.00 0.82 -2.23 0.00 0.00 178.31 176.70 1t6r h ILE 39 N -0.31 0.46 0.13 1.41 1.08 -1.39 0.58 117.51 119.46 1t6r h ILE 39 Ca 0.14 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.60 1t6r h ILE 39 Cb 0.58 1.00 0.00 0.00 -3.07 0.00 0.00 36.82 35.33 1t6r h ILE 39 CO -0.60 0.00 -0.06 0.28 -0.69 0.00 0.00 178.15 177.08 1t6r h SER 40 N 0.00 -0.14 1.33 1.72 0.02 -1.21 -3.39 113.55 111.88 1t6r h SER 40 Ca 0.00 -0.30 0.00 0.00 -0.84 0.00 0.00 61.79 60.66 1t6r h SER 40 Cb 0.01 0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.59 1t6r h SER 40 CO -0.00 0.45 0.00 0.00 -1.14 0.00 0.00 176.83 176.14 1t6r h THR 41 N -0.97 0.00 -0.23 -2.27 1.03 0.03 -3.37 112.91 107.13 1t6r h THR 41 Ca -0.02 -0.47 0.07 0.00 -0.01 0.00 0.00 66.41 65.98 1t6r h THR 41 Cb 0.43 1.41 -0.01 0.00 -1.07 0.00 0.00 68.15 68.91 1t6r h THR 41 CO 0.03 0.00 0.24 0.00 -0.01 0.00 0.00 175.52 175.78 1t6r h THR 42 N 0.00 0.48 0.00 0.00 1.03 -1.14 -3.46 112.91 109.82 1t6r h THR 42 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.40 1t6r h THR 42 Cb 0.67 0.81 0.00 0.00 -1.07 0.00 0.00 68.15 68.55 1t6r h THR 42 CO 0.00 0.00 0.00 -0.24 -0.01 0.00 0.00 175.52 175.27 1t6r n SER 43 N -3.84 0.00 -4.76 0.00 2.88 -1.26 -4.88 113.62 101.77 1t6r n SER 43 Ca 0.03 0.00 -0.40 0.00 -1.33 0.00 0.00 58.87 57.17 1t6r n SER 43 Cb 0.38 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.78 1t6r n SER 43 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1t6r s LYS 44 N 0.00 4.74 0.18 -1.46 -0.14 -1.26 -4.94 119.74 116.86 1t6r s LYS 44 Ca 0.00 1.54 0.25 0.00 -1.36 0.00 0.00 55.97 56.41 1t6r s LYS 44 Cb 0.00 -3.16 0.59 0.00 -1.68 0.00 0.00 37.83 33.58 1t6r s LYS 44 CO 0.00 0.39 1.57 0.87 -0.76 0.00 0.00 175.35 177.42 1t6r h LYS 45 N 3.87 0.00 -5.19 1.68 6.56 -1.90 -3.43 116.57 118.16 1t6r h LYS 45 Ca -0.46 0.00 -0.63 0.00 -1.06 0.00 0.00 60.65 58.51 1t6r h LYS 45 Cb 1.20 0.00 -0.14 0.00 -0.57 0.00 0.00 32.23 32.72 1t6r h LYS 45 CO 0.67 0.00 -0.20 -1.59 -2.06 0.00 0.00 179.45 176.27 1t6r s LYS 46 N -3.13 4.03 -0.10 3.15 0.00 -1.26 -0.33 119.74 122.09 1t6r s LYS 46 Ca 0.09 0.09 0.02 0.00 0.00 0.00 0.00 55.97 56.17 1t6r s LYS 46 Cb 0.13 -3.65 -0.02 0.00 0.00 0.00 0.00 37.83 34.29 1t6r s LYS 46 CO 0.65 -0.29 -0.16 0.42 0.00 0.00 0.00 175.35 175.97 1t6r s ILE 47 N 2.11 2.80 -0.10 3.79 1.09 -1.25 -1.67 121.20 127.97 1t6r s ILE 47 Ca 0.16 -0.77 0.00 0.00 -1.10 0.00 0.00 60.65 58.94 1t6r s ILE 47 Cb -0.16 -2.13 0.02 0.00 -1.06 0.00 0.00 42.46 39.14 1t6r s ILE 47 CO 0.10 0.55 -0.08 -0.69 -0.10 0.00 0.00 174.94 174.72 1t6r s VAL 48 N 0.02 1.00 -0.68 2.92 1.01 -0.09 -1.15 120.40 123.43 1t6r s VAL 48 Ca -0.05 -0.31 0.01 0.00 0.00 0.00 0.00 61.98 61.62 1t6r s VAL 48 Cb -0.15 -1.00 0.17 0.00 0.00 0.00 0.00 36.38 35.41 1t6r s VAL 48 CO 0.05 0.35 0.49 -0.22 0.00 0.00 0.00 175.10 175.76 1t6r s LEU 49 N 1.40 5.00 -1.19 3.92 0.20 -0.39 -2.28 118.68 125.34 1t6r s LEU 49 Ca -0.01 -3.32 -0.20 0.00 0.69 0.00 0.00 54.13 51.29 1t6r s LEU 49 Cb -0.13 -1.77 0.06 0.00 -0.43 0.00 0.00 46.19 43.92 1t6r s LEU 49 CO -0.05 -0.23 1.63 -1.81 -0.29 0.00 0.00 176.35 175.60 1t6r s ASP 50 N -0.23 6.70 -0.08 3.68 1.01 -0.30 -1.08 116.67 126.37 1t6r s ASP 50 Ca 0.21 -2.05 0.01 0.00 0.71 0.00 0.00 52.55 51.43 1t6r s ASP 50 Cb -0.15 -2.58 0.14 0.00 1.01 0.00 0.00 42.92 41.34 1t6r s ASP 50 CO -0.08 -1.31 1.11 0.18 0.21 0.00 0.00 175.17 175.29 1t6r n LEU 51 N 8.61 3.46 0.00 1.23 4.77 -0.71 -1.26 117.00 133.10 1t6r n LEU 51 Ca 0.43 -1.77 0.06 0.00 -0.03 0.00 0.00 56.01 54.69 1t6r n LEU 51 Cb 0.48 -0.56 0.25 0.00 -2.33 0.00 0.00 43.42 41.26 1t6r n LEU 51 CO 0.73 0.56 0.68 -1.54 -1.33 0.00 0.00 177.39 176.49 1t6r n SER 52 N 0.16 0.00 -0.00 -1.43 3.41 -1.25 -0.84 113.62 113.67 1t6r n SER 52 Ca 0.11 0.48 -0.13 0.00 -0.26 0.00 0.00 58.87 59.07 1t6r n SER 52 Cb 0.69 -0.49 -0.14 0.00 -0.26 0.00 0.00 64.21 64.01 1t6r n SER 52 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 1t6r h SER 53 N 0.00 0.16 -2.59 4.04 0.87 -1.81 -3.48 113.55 110.74 1t6r h SER 53 Ca 0.00 -0.33 -0.55 0.00 -1.23 0.00 0.00 61.79 59.68 1t6r h SER 53 Cb 0.20 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.10 1t6r h SER 53 CO 0.00 1.30 1.11 -0.69 -0.53 0.00 0.00 176.83 178.01 1t6r s VAL 54 N -2.59 3.53 -0.30 2.23 1.01 -0.02 -4.76 120.40 119.50 1t6r s VAL 54 Ca -0.10 0.64 0.06 0.00 0.00 0.00 0.00 61.98 62.58 1t6r s VAL 54 Cb 0.08 -3.42 -0.07 0.00 0.00 0.00 0.00 36.38 32.97 1t6r s VAL 54 CO 0.81 -0.06 0.27 -1.20 0.00 0.00 0.00 175.10 174.92 1t6r n SER 55 N 7.24 0.37 -3.92 3.32 7.64 -1.26 -4.68 113.62 122.32 1t6r n SER 55 Ca 0.18 -0.64 -0.13 0.00 1.01 0.00 0.00 58.87 59.29 1t6r n SER 55 Cb 0.43 1.01 -0.14 0.00 -1.01 0.00 0.00 64.21 64.50 1t6r n SER 55 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 1t6r s TYR 56 N -1.62 0.24 -0.28 1.43 6.14 -1.26 -4.68 117.35 117.33 1t6r s TYR 56 Ca 0.02 -0.11 0.00 0.00 0.64 0.00 0.00 57.07 57.63 1t6r s TYR 56 Cb 0.05 -0.15 0.15 0.00 0.42 0.00 0.00 41.96 42.42 1t6r s TYR 56 CO 0.26 -0.02 0.39 1.41 0.64 0.00 0.00 175.55 178.23 1t6r s MET 57 N -0.27 0.39 0.00 4.97 1.75 -1.20 -1.17 119.30 123.76 1t6r s MET 57 Ca -0.01 0.23 0.00 0.00 -1.25 0.00 0.00 55.69 54.66 1t6r s MET 57 Cb -0.02 -0.38 0.00 0.00 2.84 0.00 0.00 34.83 37.26 1t6r s MET 57 CO -0.00 -0.92 0.00 -3.47 -0.65 0.00 0.00 175.02 169.98 1t6r n ASP 58 N 5.35 0.00 0.00 1.11 -0.08 -0.51 -4.81 116.55 117.61 1t6r n ASP 58 Ca -0.01 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.27 1t6r n ASP 58 Cb 0.49 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.95 1t6r n ASP 58 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1t6r n ALA 60 N -3.00 0.00 -0.09 -1.67 0.00 -1.26 -2.57 120.51 111.92 1t6r n ALA 60 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 1t6r n ALA 60 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 1t6r n ALA 60 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1t6r h GLY 61 N 0.00 0.44 0.93 0.00 0.00 -1.88 -1.72 103.07 100.83 1t6r h GLY 61 Ca 0.00 -0.16 -0.06 0.00 0.00 0.00 0.00 47.33 47.11 1t6r h GLY 61 CO 0.00 0.16 0.00 1.41 0.00 0.00 0.00 176.54 178.12 1t6r h LEU 62 N 0.42 0.63 -1.24 3.11 3.38 -1.81 -2.89 115.31 116.91 1t6r h LEU 62 Ca 0.11 -0.30 -0.04 0.00 0.09 0.00 0.00 57.88 57.74 1t6r h LEU 62 Cb -0.05 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 1t6r h LEU 62 CO -0.02 0.78 0.09 1.23 0.09 0.00 0.00 178.44 180.61 1t6r h GLY 63 N 0.47 0.66 0.55 0.83 0.00 -1.84 -1.77 103.07 101.97 1t6r h GLY 63 Ca 0.10 -0.35 0.03 0.00 0.00 0.00 0.00 47.33 47.11 1t6r h GLY 63 CO 0.02 0.33 -0.17 -0.84 0.00 0.00 0.00 176.54 175.89 1t6r h THR 64 N 0.60 0.59 -0.29 4.70 2.02 -1.19 -1.59 112.91 117.76 1t6r h THR 64 Ca 0.14 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.37 1t6r h THR 64 Cb 0.24 0.59 -0.01 0.00 -1.74 0.00 0.00 68.15 67.22 1t6r h THR 64 CO -0.00 0.00 0.20 -0.07 0.37 0.00 0.00 175.52 176.01 1t6r h LEU 65 N -0.26 0.15 -0.55 2.58 3.38 -1.13 0.29 115.31 119.78 1t6r h LEU 65 Ca 0.06 -0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.94 1t6r h LEU 65 Cb 0.34 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 1t6r h LEU 65 CO -0.19 0.10 -0.02 0.58 0.09 0.00 0.00 178.44 179.01 1t6r h VAL 66 N 0.18 1.27 -0.19 1.22 2.07 -1.04 -1.91 116.25 117.84 1t6r h VAL 66 Ca 0.13 -1.14 0.05 0.00 0.82 0.00 0.00 66.70 66.55 1t6r h VAL 66 Cb 0.28 0.91 -0.05 0.00 -1.52 0.00 0.00 31.29 30.91 1t6r h VAL 66 CO -0.02 0.41 -0.11 0.58 0.02 0.00 0.00 177.57 178.44 1t6r h VAL 67 N 0.86 0.66 -0.71 2.57 2.07 -0.02 -2.24 116.25 119.43 1t6r h VAL 67 Ca 0.15 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.70 1t6r h VAL 67 Cb 0.56 0.66 -0.04 0.00 -1.52 0.00 0.00 31.29 30.95 1t6r h VAL 67 CO 0.03 0.00 0.45 0.40 0.02 0.00 0.00 177.57 178.48 1t6r h ILE 68 N -0.10 1.13 0.04 4.57 1.08 -0.98 -1.20 117.51 122.05 1t6r h ILE 68 Ca 0.11 -0.31 0.02 0.00 -0.39 0.00 0.00 64.86 64.29 1t6r h ILE 68 Cb 0.27 0.14 -0.02 0.00 -3.07 0.00 0.00 36.82 34.14 1t6r h ILE 68 CO -0.26 0.16 -0.13 0.25 -0.69 0.00 0.00 178.15 177.48 1t6r h LEU 69 N 0.90 -0.38 -0.88 1.44 7.12 -1.14 -1.20 115.31 121.17 1t6r h LEU 69 Ca 0.28 0.05 0.17 0.00 0.13 0.00 0.00 57.88 58.51 1t6r h LEU 69 Cb -0.03 0.15 -0.10 0.00 -0.53 0.00 0.00 40.66 40.15 1t6r h LEU 69 CO -0.09 -0.19 0.45 0.50 -0.13 0.00 0.00 178.44 178.97 1t6r h LYS 70 N -0.25 0.57 -0.22 1.25 3.64 -0.76 -0.62 116.57 120.18 1t6r h LYS 70 Ca 0.03 -0.03 -0.08 0.00 -1.27 0.00 0.00 60.65 59.30 1t6r h LYS 70 Cb 0.28 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.96 1t6r h LYS 70 CO -0.10 0.37 -0.21 0.22 -2.27 0.00 0.00 179.45 177.47 1t6r h ASP 71 N 0.58 0.39 -0.22 4.20 3.58 -0.35 -0.18 116.42 124.42 1t6r h ASP 71 Ca 0.50 -0.11 0.04 0.00 0.42 0.00 0.00 57.03 57.88 1t6r h ASP 71 Cb 0.79 -0.10 -0.04 0.00 1.72 0.00 0.00 39.33 41.69 1t6r h ASP 71 CO -0.41 0.61 -0.04 0.00 -2.88 0.00 0.00 179.24 176.53 1t6r h ALA 72 N 1.43 0.16 -0.24 -0.78 0.00 0.02 0.62 119.26 120.47 1t6r h ALA 72 Ca 0.06 0.08 -0.13 0.00 0.00 0.00 0.00 54.91 54.92 1t6r h ALA 72 Cb 0.57 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1t6r h ALA 72 CO 0.04 -0.46 -0.38 0.87 0.00 0.00 0.00 179.25 179.33 1t6r h LYS 73 N 0.02 0.54 -0.38 0.00 1.79 -0.67 0.23 116.57 118.10 1t6r h LYS 73 Ca 0.11 -0.26 0.03 0.00 -2.18 0.00 0.00 60.65 58.35 1t6r h LYS 73 Cb 0.15 -0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.77 1t6r h LYS 73 CO -0.21 0.83 0.18 0.82 -1.08 0.00 0.00 179.45 179.99 1t6r h ILE 74 N 0.45 0.96 -0.03 1.86 2.04 -0.83 -2.12 117.51 119.84 1t6r h ILE 74 Ca 0.04 -0.12 0.00 0.00 1.00 0.00 0.00 64.86 65.78 1t6r h ILE 74 Cb 0.86 0.56 0.00 0.00 -0.74 0.00 0.00 36.82 37.50 1t6r h ILE 74 CO 0.07 0.07 0.00 0.59 0.00 0.00 0.00 178.15 178.88 1t6r n ASN 75 N -4.95 0.42 -3.47 1.72 3.02 0.19 -4.92 115.26 107.27 1t6r n ASN 75 Ca 0.01 -1.38 -0.18 0.00 -0.03 0.00 0.00 54.58 53.01 1t6r n ASN 75 Cb 0.11 -0.02 0.08 0.00 -0.61 0.00 0.00 39.78 39.34 1t6r n ASN 75 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1t6r n GLY 76 N 0.93 -0.36 3.17 7.41 0.00 0.41 -5.00 105.19 111.76 1t6r n GLY 76 Ca 0.17 0.11 -0.20 0.00 0.00 0.00 0.00 46.02 46.11 1t6r n GLY 76 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1t6r n LYS 77 N -4.20 0.42 -3.13 1.61 2.85 0.52 -4.99 118.16 111.24 1t6r n LYS 77 Ca -0.27 -3.30 -0.21 0.00 -1.05 0.00 0.00 58.31 53.48 1t6r n LYS 77 Cb 0.66 2.61 0.01 0.00 -0.65 0.00 0.00 35.03 37.67 1t6r n LYS 77 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 177.40 175.35 1t6r s GLU 78 N -3.35 3.02 -0.24 -1.58 2.12 0.55 -4.18 118.70 115.03 1t6r s GLU 78 Ca 0.37 -0.73 -0.03 0.00 0.36 0.00 0.00 54.97 54.95 1t6r s GLU 78 Cb 0.02 -2.65 0.13 0.00 0.26 0.00 0.00 34.13 31.88 1t6r s GLU 78 CO 0.27 -0.19 0.34 0.12 -0.54 0.00 0.00 175.26 175.25 1t6r s PHE 79 N -2.43 -0.69 0.12 5.30 5.36 -1.26 -3.96 117.98 120.42 1t6r s PHE 79 Ca 0.48 0.60 0.08 0.00 -0.96 0.00 0.00 56.93 57.14 1t6r s PHE 79 Cb -0.10 -0.11 -0.04 0.00 -0.34 0.00 0.00 43.02 42.43 1t6r s PHE 79 CO 0.35 -0.72 -0.15 0.42 -1.46 0.00 0.00 175.22 173.67 1t6r s ILE 80 N 2.49 3.06 0.00 3.12 1.01 -0.30 -4.46 121.20 126.12 1t6r s ILE 80 Ca 0.11 -1.42 0.00 0.00 0.00 0.00 0.00 60.65 59.34 1t6r s ILE 80 Cb -0.15 -2.42 0.00 0.00 0.01 0.00 0.00 42.46 39.90 1t6r s ILE 80 CO -0.17 0.09 0.00 0.18 0.00 0.00 0.00 174.94 175.04 1t6r n LEU 81 N 0.72 0.00 0.00 2.97 4.77 -1.24 -2.18 117.00 122.03 1t6r n LEU 81 Ca -0.15 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.83 1t6r n LEU 81 Cb 0.53 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.62 1t6r n LEU 81 CO 0.31 0.00 0.00 -1.20 -1.33 0.00 0.00 177.39 175.17 1t6r n SER 82 N 0.00 0.00 -2.74 -1.43 7.64 -0.24 -1.27 113.62 115.59 1t6r n SER 82 Ca 0.00 0.00 -0.06 0.00 1.01 0.00 0.00 58.87 59.82 1t6r n SER 82 Cb 0.00 0.00 0.03 0.00 -1.01 0.00 0.00 64.21 63.23 1t6r n SER 82 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1t6r n SER 83 N 0.00 -5.83 -4.56 6.43 7.64 -1.24 -1.73 113.62 114.33 1t6r n SER 83 Ca 0.00 -0.32 -0.42 0.00 1.01 0.00 0.00 58.87 59.14 1t6r n SER 83 Cb 0.00 -4.09 -0.03 0.00 -1.01 0.00 0.00 64.21 59.08 1t6r n SER 83 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1t6r s LEU 84 N -4.20 3.47 0.94 -3.43 2.01 -1.26 -3.81 118.68 112.39 1t6r s LEU 84 Ca 0.19 -0.18 -0.11 0.00 0.01 0.00 0.00 54.13 54.04 1t6r s LEU 84 Cb -0.02 -2.89 0.16 0.00 0.01 0.00 0.00 46.19 43.44 1t6r s LEU 84 CO 0.55 -1.57 1.10 -0.54 1.01 0.00 0.00 176.35 176.90 1t6r s LYS 85 N 5.06 0.88 0.59 1.70 1.02 -1.26 -4.47 119.74 123.26 1t6r s LYS 85 Ca 0.38 1.16 0.29 0.00 0.02 0.00 0.00 55.97 57.81 1t6r s LYS 85 Cb -0.09 -1.74 1.67 0.00 -0.52 0.00 0.00 37.83 37.15 1t6r s LYS 85 CO 0.21 -2.60 2.11 0.93 -0.92 0.00 0.00 175.35 175.08 1t6r h GLU 86 N -1.82 0.00 0.00 1.68 4.39 -1.95 0.21 114.58 117.08 1t6r h GLU 86 Ca -0.49 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.21 1t6r h GLU 86 Cb 1.28 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.93 1t6r h GLU 86 CO 0.48 0.00 0.00 0.45 -1.16 0.00 0.00 179.01 178.78 1t6r n SER 87 N -3.81 0.00 -0.13 1.42 2.88 -1.26 -4.45 113.62 108.27 1t6r n SER 87 Ca 0.01 0.49 -0.05 0.00 -1.33 0.00 0.00 58.87 58.00 1t6r n SER 87 Cb 0.30 -0.44 0.01 0.00 -0.75 0.00 0.00 64.21 63.34 1t6r n SER 87 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 1t6r h ILE 88 N 0.00 0.42 -0.11 2.46 1.08 -1.58 -2.37 117.51 117.40 1t6r h ILE 88 Ca 0.00 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.49 1t6r h ILE 88 Cb 0.00 0.42 -0.05 0.00 -3.07 0.00 0.00 36.82 34.13 1t6r h ILE 88 CO 0.00 0.00 -0.38 -1.28 -0.69 0.00 0.00 178.15 175.80 1t6r h SER 89 N -0.10 -1.22 -0.89 1.72 0.87 -0.84 0.77 113.55 113.86 1t6r h SER 89 Ca 0.21 0.15 0.18 0.00 -1.23 0.00 0.00 61.79 61.09 1t6r h SER 89 Cb 0.42 0.48 -0.11 0.00 -0.44 0.00 0.00 62.40 62.75 1t6r h SER 89 CO -0.49 -0.33 0.46 -0.09 -0.53 0.00 0.00 176.83 175.84 1t6r h ARG 90 N -0.39 0.57 -0.12 2.24 1.12 -1.65 -1.54 114.38 114.60 1t6r h ARG 90 Ca 0.02 -0.03 -0.01 0.00 -1.11 0.00 0.00 59.98 58.85 1t6r h ARG 90 Cb 0.47 -0.13 -0.01 0.00 -0.01 0.00 0.00 29.97 30.30 1t6r h ARG 90 CO -0.32 0.37 0.04 0.82 -3.11 0.00 0.00 179.97 177.78 1t6r h ILE 91 N 0.58 1.17 -0.53 1.20 2.04 -0.68 0.11 117.51 121.41 1t6r h ILE 91 Ca 0.51 -0.52 0.11 0.00 1.00 0.00 0.00 64.86 65.96 1t6r h ILE 91 Cb 0.82 1.29 -0.03 0.00 -0.74 0.00 0.00 36.82 38.16 1t6r h ILE 91 CO -0.41 0.16 0.36 -0.07 0.00 0.00 0.00 178.15 178.18 1t6r h LEU 92 N 0.02 0.22 -0.22 1.44 -0.00 0.06 -0.45 115.31 116.37 1t6r h LEU 92 Ca 0.04 0.01 -0.20 0.00 -0.00 0.00 0.00 57.88 57.72 1t6r h LEU 92 Cb 0.21 -0.04 -0.01 0.00 -0.00 0.00 0.00 40.66 40.82 1t6r h LEU 92 CO -0.00 0.13 -0.92 0.11 -0.00 0.00 0.00 178.44 177.76 1t6r h LYS 93 N 0.24 0.17 0.00 1.13 1.79 -0.65 -0.16 116.57 119.10 1t6r h LYS 93 Ca 0.25 -0.21 0.00 0.00 -2.18 0.00 0.00 60.65 58.51 1t6r h LYS 93 Cb 0.65 0.06 0.00 0.00 -1.58 0.00 0.00 32.23 31.37 1t6r h LYS 93 CO -0.05 0.97 0.00 1.25 -1.08 0.00 0.00 179.45 180.55 1t6r h LEU 94 N 0.09 0.00 -1.73 2.94 6.46 0.92 0.32 115.31 124.30 1t6r h LEU 94 Ca -0.05 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.71 1t6r h LEU 94 Cb 1.57 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.50 1t6r h LEU 94 CO 0.14 0.00 0.00 0.35 -0.62 0.00 0.00 178.44 178.31 1t6r n THR 95 N -2.80 0.34 -1.94 1.05 -2.24 -1.23 -5.00 114.28 102.47 1t6r n THR 95 Ca -0.02 -0.67 -0.18 0.00 -2.27 0.00 0.00 64.05 60.91 1t6r n THR 95 Cb 0.12 0.87 -0.05 0.00 -2.10 0.00 0.00 70.33 69.17 1t6r n THR 95 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1t6r n HIS 96 N 0.01 -0.58 0.28 4.78 8.25 0.10 -4.87 115.22 123.18 1t6r n HIS 96 Ca 0.02 0.00 0.15 0.00 -0.26 0.00 0.00 57.72 57.63 1t6r n HIS 96 Cb 0.14 -3.39 0.82 0.00 1.12 0.00 0.00 29.99 28.68 1t6r n HIS 96 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1t6r h LEU 97 N 0.00 0.00 -1.22 2.41 3.38 -1.27 -2.34 115.31 116.27 1t6r h LEU 97 Ca -0.41 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.56 1t6r h LEU 97 Cb 1.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.01 1t6r h LEU 97 CO 0.54 0.07 0.00 -0.90 0.09 0.00 0.00 178.44 178.24 1t6r n ASP 98 N -3.50 0.48 -0.44 -0.43 5.75 -1.08 -0.53 116.55 116.81 1t6r n ASP 98 Ca -0.02 0.72 0.06 0.00 -0.01 0.00 0.00 54.79 55.55 1t6r n ASP 98 Cb 0.21 -0.79 0.04 0.00 -1.03 0.00 0.00 41.12 39.54 1t6r n ASP 98 CO 0.00 0.00 0.00 2.29 -0.11 0.00 0.00 177.20 179.38 1t6r n LYS 99 N -2.15 1.16 -0.11 0.11 2.85 -0.88 -3.40 118.16 115.74 1t6r n LYS 99 Ca -0.01 -1.08 -0.15 0.00 -1.05 0.00 0.00 58.31 56.02 1t6r n LYS 99 Cb 0.03 -1.22 -0.11 0.00 -0.65 0.00 0.00 35.03 33.09 1t6r n LYS 99 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 177.40 176.46 1t6r n ILE 100 N 0.43 1.29 -0.24 0.58 5.41 -0.05 -4.52 119.36 122.25 1t6r n ILE 100 Ca 0.07 -0.52 0.06 0.00 1.00 0.00 0.00 62.75 63.36 1t6r n ILE 100 Cb 0.30 -1.23 0.16 0.00 -0.71 0.00 0.00 39.64 38.16 1t6r n ILE 100 CO 0.00 0.00 0.00 0.49 0.00 0.00 0.00 176.55 177.04 1t6r n PHE 101 N -3.12 0.51 -2.68 1.39 3.72 0.31 -5.00 117.46 112.60 1t6r n PHE 101 Ca -0.39 -0.53 0.00 0.00 -0.05 0.00 0.00 57.45 56.48 1t6r n PHE 101 Cb 0.94 -0.05 0.00 0.00 -0.94 0.00 0.00 39.48 39.43 1t6r n PHE 101 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 1t6r n LYS 102 N 0.45 0.00 -3.67 -1.08 4.81 -1.22 -3.71 118.16 113.74 1t6r n LYS 102 Ca 0.13 0.00 -0.09 0.00 -0.87 0.00 0.00 58.31 57.47 1t6r n LYS 102 Cb 0.47 0.00 -0.02 0.00 0.02 0.00 0.00 35.03 35.50 1t6r n LYS 102 CO 0.00 0.00 0.00 -1.50 1.17 0.00 0.00 177.40 177.07 1t6r s ILE 103 N 0.00 0.00 -0.04 3.15 2.07 -1.24 -4.38 121.20 120.76 1t6r s ILE 103 Ca 0.00 -0.56 -0.14 0.00 -1.41 0.00 0.00 60.65 58.54 1t6r s ILE 103 Cb 0.00 -1.56 0.02 0.00 0.13 0.00 0.00 42.46 41.06 1t6r s ILE 103 CO 0.00 -0.00 0.31 0.42 -1.91 0.00 0.00 174.94 173.75 1t6r s THR 104 N -3.85 0.04 0.03 4.00 -4.23 -1.26 -4.98 115.64 105.40 1t6r s THR 104 Ca 0.07 -0.37 0.15 0.00 -1.18 0.00 0.00 61.69 60.36 1t6r s THR 104 Cb -0.04 -0.57 0.05 0.00 1.34 0.00 0.00 72.50 73.29 1t6r s THR 104 CO -0.02 -0.20 1.55 0.44 -0.54 0.00 0.00 174.62 175.84 1t6r h ASP 105 N 4.31 0.00 -5.22 3.99 3.32 -1.97 -3.28 116.42 117.57 1t6r h ASP 105 Ca -0.29 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.66 1t6r h ASP 105 Cb 1.18 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 40.59 1t6r h ASP 105 CO 0.38 0.52 -0.41 0.42 -1.72 0.00 0.00 179.24 178.43 1t6r s THR 106 N -3.22 0.12 0.54 0.35 -4.23 -1.26 -4.38 115.64 103.56 1t6r s THR 106 Ca 0.02 -1.37 0.23 0.00 -1.18 0.00 0.00 61.69 59.38 1t6r s THR 106 Cb 0.09 -1.59 0.34 0.00 1.34 0.00 0.00 72.50 72.69 1t6r s THR 106 CO 0.73 -0.55 2.08 1.62 -0.54 0.00 0.00 174.62 177.96 1t6r h VAL 107 N 2.73 0.77 0.00 2.29 3.04 -1.95 -0.28 116.25 122.84 1t6r h VAL 107 Ca -0.33 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.36 1t6r h VAL 107 Cb 1.20 0.85 0.00 0.00 -2.01 0.00 0.00 31.29 31.34 1t6r h VAL 107 CO 0.55 0.00 0.00 -0.62 -1.01 0.00 0.00 177.57 176.49 1t6r n GLU 108 N -4.30 0.11 0.00 4.17 -0.58 -1.26 -1.78 120.64 116.99 1t6r n GLU 108 Ca 0.03 0.42 0.13 0.00 -0.42 0.00 0.00 57.16 57.32 1t6r n GLU 108 Cb 0.36 -1.74 0.29 0.00 -0.57 0.00 0.00 31.44 29.78 1t6r n GLU 108 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1t6r n GLU 109 N -1.95 1.59 0.00 3.49 1.02 -0.12 -5.12 120.64 119.55 1t6r n GLU 109 Ca 0.02 -1.13 0.11 0.00 -0.02 0.00 0.00 57.16 56.14 1t6r n GLU 109 Cb 0.15 -1.48 0.09 0.00 -0.02 0.00 0.00 31.44 30.18 1t6r n GLU 109 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31