#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 0.55 -0.17 7.83 4.22 -1.26 -5.10 114.94 121.01 1t6r s ASN 2 Ca 0.00 -0.57 -0.14 0.00 -2.14 0.00 0.00 52.86 50.01 1t6r s ASN 2 Cb 0.00 0.08 -0.05 0.00 1.28 0.00 0.00 41.25 42.56 1t6r s ASN 2 CO 0.00 -0.28 -0.28 -3.20 -2.04 0.00 0.00 177.10 171.30 1t6r n ASN 3 N 1.40 1.89 -4.75 3.54 5.15 -1.26 -4.95 115.26 116.27 1t6r n ASN 3 Ca -0.23 0.45 -0.41 0.00 -0.60 0.00 0.00 54.58 53.80 1t6r n ASN 3 Cb 0.55 -0.80 -0.03 0.00 -0.53 0.00 0.00 39.78 38.98 1t6r n ASN 3 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 1t6r s LEU 4 N -8.03 4.46 0.26 1.20 0.20 -1.26 -4.82 118.68 110.69 1t6r s LEU 4 Ca -0.24 2.43 0.08 0.00 0.69 0.00 0.00 54.13 57.09 1t6r s LEU 4 Cb 0.03 -3.63 -0.05 0.00 -0.43 0.00 0.00 46.19 42.11 1t6r s LEU 4 CO 0.35 -0.40 -0.11 -0.54 -0.29 0.00 0.00 176.35 175.36 1t6r s LYS 5 N -1.03 1.52 -0.29 1.98 -0.14 0.29 -5.02 119.74 117.06 1t6r s LYS 5 Ca 0.50 -1.73 0.01 0.00 -1.36 0.00 0.00 55.97 53.39 1t6r s LYS 5 Cb -0.36 -1.27 0.15 0.00 -1.68 0.00 0.00 37.83 34.67 1t6r s LYS 5 CO 0.43 0.14 0.35 -0.51 -0.76 0.00 0.00 175.35 175.00 1t6r s LEU 6 N -3.42 -0.49 -1.36 3.17 1.43 -1.25 -1.70 118.68 115.05 1t6r s LEU 6 Ca 0.27 -0.58 -0.13 0.00 -1.03 0.00 0.00 54.13 52.66 1t6r s LEU 6 Cb 0.01 0.78 0.09 0.00 0.03 0.00 0.00 46.19 47.10 1t6r s LEU 6 CO 0.11 -0.37 1.98 -0.67 0.23 0.00 0.00 176.35 177.62 1t6r n ASP 7 N 5.33 4.51 -4.65 2.29 2.03 -0.21 -4.85 116.55 121.00 1t6r n ASP 7 Ca -0.01 -2.94 -0.43 0.00 0.52 0.00 0.00 54.79 51.94 1t6r n ASP 7 Cb 0.48 -1.62 -0.02 0.00 -0.72 0.00 0.00 41.12 39.23 1t6r n ASP 7 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1t6r s ILE 8 N 2.50 4.01 -0.03 5.18 1.01 -1.26 -1.87 121.20 130.73 1t6r s ILE 8 Ca 0.46 1.18 0.03 0.00 0.00 0.00 0.00 60.65 62.33 1t6r s ILE 8 Cb 0.10 -3.89 -0.00 0.00 0.01 0.00 0.00 42.46 38.68 1t6r s ILE 8 CO -0.03 -0.24 -0.13 -0.69 0.00 0.00 0.00 174.94 173.85 1t6r s VAL 9 N 4.16 1.12 -0.32 2.92 1.01 -0.00 -5.00 120.40 124.30 1t6r s VAL 9 Ca 0.62 -0.55 -0.00 0.00 0.00 0.00 0.00 61.98 62.05 1t6r s VAL 9 Cb -0.23 -0.98 0.13 0.00 0.00 0.00 0.00 36.38 35.31 1t6r s VAL 9 CO 0.22 0.33 0.27 -1.61 0.00 0.00 0.00 175.10 174.31 1t6r s GLU 10 N 0.10 0.39 0.00 2.72 2.02 -1.26 -0.81 118.70 121.86 1t6r s GLU 10 Ca -0.03 -0.52 0.00 0.00 0.02 0.00 0.00 54.97 54.44 1t6r s GLU 10 Cb -0.10 -0.84 0.00 0.00 0.10 0.00 0.00 34.13 33.29 1t6r s GLU 10 CO 0.01 -1.09 0.00 1.04 0.02 0.00 0.00 175.26 175.25 1t6r n GLN 11 N 4.91 0.00 -1.17 1.61 6.02 -1.19 -4.99 117.38 122.57 1t6r n GLN 11 Ca 0.02 0.00 -0.09 0.00 -0.01 0.00 0.00 57.00 56.92 1t6r n GLN 11 Cb 0.44 0.00 -0.05 0.00 1.02 0.00 0.00 30.24 31.65 1t6r n GLN 11 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 1t6r n ASP 12 N 0.00 -0.42 -2.51 1.08 2.03 -1.26 -2.86 116.55 112.61 1t6r n ASP 12 Ca 0.00 -1.80 -0.09 0.00 0.52 0.00 0.00 54.79 53.42 1t6r n ASP 12 Cb 0.00 -0.94 -0.02 0.00 -0.72 0.00 0.00 41.12 39.44 1t6r n ASP 12 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1t6r n ASP 13 N 10.49 -0.16 -3.58 1.67 8.00 -1.26 -4.88 116.55 126.83 1t6r n ASP 13 Ca 0.19 -0.30 -0.12 0.00 0.71 0.00 0.00 54.79 55.28 1t6r n ASP 13 Cb 0.46 -0.37 -0.04 0.00 -0.02 0.00 0.00 41.12 41.14 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 -3.11 1.09 -0.19 -1.24 2.20 -1.14 -4.88 119.74 112.48 1t6r s LYS 14 Ca 0.12 -0.53 -0.05 0.00 -0.36 0.00 0.00 55.97 55.15 1t6r s LYS 14 Cb -0.07 0.49 -0.03 0.00 -1.51 0.00 0.00 37.83 36.72 1t6r s LYS 14 CO 0.24 -0.43 0.01 0.00 -0.36 0.00 0.00 175.35 174.80 1t6r s ALA 15 N -3.39 3.08 -0.10 3.13 0.00 -0.89 -3.20 121.76 120.38 1t6r s ALA 15 Ca 0.00 -0.95 0.00 0.00 0.00 0.00 0.00 51.96 51.02 1t6r s ALA 15 Cb 0.00 -1.78 0.02 0.00 0.00 0.00 0.00 23.12 21.37 1t6r s ALA 15 CO -0.09 -0.08 -0.08 0.42 0.00 0.00 0.00 175.76 175.92 1t6r s ILE 16 N 0.88 1.00 -0.26 0.00 1.01 0.01 -0.59 121.20 123.24 1t6r s ILE 16 Ca 0.01 -0.31 0.00 0.00 0.00 0.00 0.00 60.65 60.36 1t6r s ILE 16 Cb -0.14 -0.99 0.07 0.00 0.01 0.00 0.00 42.46 41.41 1t6r s ILE 16 CO 0.02 0.35 -0.00 0.54 0.00 0.00 0.00 174.94 175.85 1t6r s VAL 17 N 1.41 1.39 -0.77 2.92 0.11 -0.87 -0.82 120.40 123.77 1t6r s VAL 17 Ca -0.01 -1.32 -0.26 0.00 -2.93 0.00 0.00 61.98 57.46 1t6r s VAL 17 Cb -0.13 -1.80 0.03 0.00 -1.53 0.00 0.00 36.38 32.94 1t6r s VAL 17 CO -0.05 -0.28 1.38 -0.13 -3.33 0.00 0.00 175.10 172.69 1t6r s ARG 18 N 1.42 3.17 0.10 1.54 0.52 -0.78 -0.98 118.95 123.95 1t6r s ARG 18 Ca -0.00 -0.27 -0.31 0.00 -0.52 0.00 0.00 55.73 54.63 1t6r s ARG 18 Cb -0.18 -4.38 -0.09 0.00 0.52 0.00 0.00 34.95 30.82 1t6r s ARG 18 CO -0.10 -2.25 1.58 0.08 0.02 0.00 0.00 175.30 174.63 1t6r s VAL 19 N 6.08 2.98 -0.11 3.52 1.01 0.39 -1.04 120.40 133.22 1t6r s VAL 19 Ca 0.41 0.57 -0.03 0.00 0.00 0.00 0.00 61.98 62.92 1t6r s VAL 19 Cb -0.07 -3.36 0.05 0.00 0.00 0.00 0.00 36.38 32.99 1t6r s VAL 19 CO 0.12 0.02 0.06 -1.10 0.00 0.00 0.00 175.10 174.20 1t6r s GLN 20 N 1.95 0.11 0.00 2.72 -0.21 -0.69 -3.37 119.66 120.17 1t6r s GLN 20 Ca 0.71 0.09 0.00 0.00 0.02 0.00 0.00 55.36 56.17 1t6r s GLN 20 Cb -0.40 -1.26 0.00 0.00 1.00 0.00 0.00 33.01 32.35 1t6r s GLN 20 CO 0.31 -0.50 0.00 0.41 -2.12 0.00 0.00 175.29 173.39 1t6r n GLY 21 N 5.25 3.05 3.86 3.09 0.00 -1.26 -0.55 105.19 118.64 1t6r n GLY 21 Ca -0.06 -1.61 -0.31 0.00 0.00 0.00 0.00 46.02 44.04 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 0.00 6.18 -0.38 1.61 1.01 -1.26 -4.07 116.67 119.75 1t6r s ASP 22 Ca 0.00 1.48 0.01 0.00 0.71 0.00 0.00 52.55 54.75 1t6r s ASP 22 Cb 0.00 -2.48 0.13 0.00 1.01 0.00 0.00 42.92 41.58 1t6r s ASP 22 CO 0.00 -0.90 0.19 -0.63 0.21 0.00 0.00 175.17 174.04 1t6r s ILE 23 N -3.05 0.98 0.01 0.77 1.01 -0.52 -4.73 121.20 115.66 1t6r s ILE 23 Ca 0.56 -2.05 0.00 0.00 0.00 0.00 0.00 60.65 59.17 1t6r s ILE 23 Cb -0.11 -1.71 -0.00 0.00 0.01 0.00 0.00 42.46 40.65 1t6r s ILE 23 CO 0.50 -0.85 0.00 -0.90 0.00 0.00 0.00 174.94 173.69 1t6r n ASP 24 N 4.02 1.50 0.00 3.58 5.75 -1.26 -0.85 116.55 129.28 1t6r n ASP 24 Ca 0.06 -1.03 0.00 0.00 -0.01 0.00 0.00 54.79 53.81 1t6r n ASP 24 Cb 0.37 0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.47 1t6r n ASP 24 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1t6r n ALA 25 N -2.98 0.90 -0.23 2.12 0.00 -1.26 -0.19 120.51 118.88 1t6r n ALA 25 Ca -0.00 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.50 1t6r n ALA 25 Cb 0.01 -0.79 0.17 0.00 0.00 0.00 0.00 19.45 18.83 1t6r n ALA 25 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1t6r n TYR 26 N -1.26 0.52 0.00 0.00 4.19 -1.26 -4.61 117.16 114.74 1t6r n TYR 26 Ca 0.00 -0.52 0.00 0.00 3.31 0.00 0.00 57.90 60.69 1t6r n TYR 26 Cb 0.07 -0.04 0.00 0.00 0.49 0.00 0.00 39.34 39.86 1t6r n TYR 26 CO 0.00 0.00 0.00 0.09 0.91 0.00 0.00 176.86 177.86 1t6r n ASN 27 N 0.51 0.00 -0.28 2.98 3.02 -0.71 -4.92 115.26 115.87 1t6r n ASN 27 Ca 0.13 0.00 0.08 0.00 -0.03 0.00 0.00 54.58 54.76 1t6r n ASN 27 Cb 0.46 0.00 0.32 0.00 -0.61 0.00 0.00 39.78 39.95 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 0.76 -1.00 6.41 4.64 -0.86 0.28 113.55 123.79 1t6r h SER 28 Ca 0.00 0.03 0.20 0.00 -0.47 0.00 0.00 61.79 61.54 1t6r h SER 28 Cb 0.00 -0.13 -0.11 0.00 -0.31 0.00 0.00 62.40 61.85 1t6r h SER 28 CO 0.00 0.44 0.60 -1.28 -0.87 0.00 0.00 176.83 175.72 1t6r h SER 29 N 0.84 0.75 0.00 4.97 0.87 -1.82 0.87 113.55 120.04 1t6r h SER 29 Ca 0.41 0.10 -0.26 0.00 -1.23 0.00 0.00 61.79 60.82 1t6r h SER 29 Cb 0.46 -0.03 -0.04 0.00 -0.44 0.00 0.00 62.40 62.36 1t6r h SER 29 CO -0.18 0.24 -1.50 -0.62 -0.53 0.00 0.00 176.83 174.24 1t6r n GLU 30 N -4.80 0.56 -0.35 2.24 -0.58 0.17 -3.61 120.64 114.27 1t6r n GLU 30 Ca 0.24 0.48 0.28 0.00 -0.42 0.00 0.00 57.16 57.74 1t6r n GLU 30 Cb 0.60 -1.67 0.57 0.00 -0.57 0.00 0.00 31.44 30.37 1t6r n GLU 30 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 1t6r h LEU 31 N -1.00 0.34 0.88 -4.62 6.46 -0.58 -1.00 115.31 115.79 1t6r h LEU 31 Ca -0.39 0.08 -0.04 0.00 -0.12 0.00 0.00 57.88 57.41 1t6r h LEU 31 Cb 1.30 0.04 0.01 0.00 -0.73 0.00 0.00 40.66 41.27 1t6r h LEU 31 CO -0.24 0.01 -0.43 0.50 -0.62 0.00 0.00 178.44 177.67 1t6r h LYS 32 N 0.27 -1.14 0.00 1.25 3.64 -0.94 -2.10 116.57 117.55 1t6r h LYS 32 Ca 0.64 0.08 -0.03 0.00 -1.27 0.00 0.00 60.65 60.07 1t6r h LYS 32 Cb 1.85 0.26 -0.00 0.00 -0.41 0.00 0.00 32.23 33.93 1t6r h LYS 32 CO -0.28 -0.76 -0.13 1.05 -2.27 0.00 0.00 179.45 177.05 1t6r h GLU 33 N -1.31 0.00 0.16 1.90 4.11 -1.29 0.70 114.58 118.85 1t6r h GLU 33 Ca -0.12 0.00 -0.30 0.00 0.07 0.00 0.00 59.36 59.01 1t6r h GLU 33 Cb 0.91 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.17 1t6r h GLU 33 CO 0.20 0.13 -1.41 1.96 0.07 0.00 0.00 179.01 179.97 1t6r h GLN 34 N 0.00 0.34 -0.04 1.06 4.20 -1.32 -1.13 115.11 118.22 1t6r h GLN 34 Ca -0.00 -0.58 -0.16 0.00 0.06 0.00 0.00 58.65 57.97 1t6r h GLN 34 Cb 0.74 0.22 -0.01 0.00 0.30 0.00 0.00 27.48 28.72 1t6r h GLN 34 CO 0.02 1.25 -0.69 -0.07 -0.67 0.00 0.00 178.83 178.67 1t6r h LEU 35 N 0.09 0.21 0.23 1.46 3.38 -1.06 -0.69 115.31 118.93 1t6r h LEU 35 Ca -0.21 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.62 1t6r h LEU 35 Cb 2.04 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 42.73 1t6r h LEU 35 CO 0.21 0.83 -0.11 0.03 0.09 0.00 0.00 178.44 179.49 1t6r h ARG 36 N 0.12 -0.29 -0.67 1.13 3.08 -0.84 -2.28 114.38 114.62 1t6r h ARG 36 Ca -0.02 0.02 0.06 0.00 0.07 0.00 0.00 59.98 60.12 1t6r h ARG 36 Cb 1.22 0.07 -0.06 0.00 0.08 0.00 0.00 29.97 31.28 1t6r h ARG 36 CO 0.10 -0.18 0.37 -0.97 -1.07 0.00 0.00 179.97 178.22 1t6r h ASN 37 N -0.32 0.55 -0.02 7.04 -0.73 -1.05 0.42 115.58 121.46 1t6r h ASN 37 Ca -0.03 0.03 0.03 0.00 1.87 0.00 0.00 56.30 58.21 1t6r h ASN 37 Cb 0.25 -0.08 -0.05 0.00 0.27 0.00 0.00 38.32 38.71 1t6r h ASN 37 CO 0.05 0.35 -0.33 0.15 -0.37 0.00 0.00 177.43 177.28 1t6r h PHE 38 N 0.68 -0.92 0.00 0.67 3.57 -1.07 0.37 116.94 120.24 1t6r h PHE 38 Ca 0.30 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.78 1t6r h PHE 38 Cb 0.20 0.41 -0.01 0.00 2.79 0.00 0.00 35.95 39.34 1t6r h PHE 38 CO -0.08 -0.42 -0.26 0.82 -2.23 0.00 0.00 178.31 176.14 1t6r h ILE 39 N -0.47 0.67 -0.61 1.41 2.04 -0.91 -2.12 117.51 117.51 1t6r h ILE 39 Ca 0.07 -1.19 -0.09 0.00 1.00 0.00 0.00 64.86 64.65 1t6r h ILE 39 Cb 0.57 1.77 -0.02 0.00 -0.74 0.00 0.00 36.82 38.40 1t6r h ILE 39 CO -0.29 0.26 0.05 -1.28 0.00 0.00 0.00 178.15 176.89 1t6r h SER 40 N 0.00 1.01 0.00 1.72 0.87 -0.11 -3.42 113.55 113.62 1t6r h SER 40 Ca -0.00 -0.29 0.00 0.00 -1.23 0.00 0.00 61.79 60.27 1t6r h SER 40 Cb 0.75 -0.27 0.00 0.00 -0.44 0.00 0.00 62.40 62.44 1t6r h SER 40 CO 0.03 1.05 0.00 0.35 -0.53 0.00 0.00 176.83 177.73 1t6r n THR 41 N -4.23 0.00 -0.04 2.23 -2.24 0.04 -5.06 114.28 104.98 1t6r n THR 41 Ca 0.03 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.81 1t6r n THR 41 Cb 0.32 -0.13 0.00 0.00 -2.10 0.00 0.00 70.33 68.42 1t6r n THR 41 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 1t6r n THR 42 N 0.00 0.00 -1.72 4.28 5.66 -0.83 -4.88 114.28 116.79 1t6r n THR 42 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1t6r n THR 42 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 1t6r n THR 42 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 1t6r n SER 43 N -3.99 0.00 -4.35 1.09 2.88 -1.26 -5.13 113.62 102.86 1t6r n SER 43 Ca 0.00 -1.04 -0.30 0.00 -1.33 0.00 0.00 58.87 56.20 1t6r n SER 43 Cb 0.00 -0.01 -0.14 0.00 -0.75 0.00 0.00 64.21 63.31 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 1.77 0.01 -1.46 -0.14 -1.26 -5.03 119.74 113.63 1t6r s LYS 44 Ca 0.00 -1.13 0.25 0.00 -1.36 0.00 0.00 55.97 53.73 1t6r s LYS 44 Cb 0.00 -1.98 0.59 0.00 -1.68 0.00 0.00 37.83 34.76 1t6r s LYS 44 CO 0.00 0.51 1.48 1.63 -0.76 0.00 0.00 175.35 178.20 1t6r n LYS 45 N 1.68 0.03 -3.79 1.68 5.02 -1.26 -4.81 118.16 116.71 1t6r n LYS 45 Ca -0.17 0.01 -0.37 0.00 -2.02 0.00 0.00 58.31 55.76 1t6r n LYS 45 Cb 0.52 -1.52 -0.13 0.00 -0.02 0.00 0.00 35.03 33.88 1t6r n LYS 45 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 1t6r s LYS 46 N -3.02 2.81 -0.21 1.97 0.00 -1.26 -1.12 119.74 118.91 1t6r s LYS 46 Ca 0.11 -1.04 -0.06 0.00 0.00 0.00 0.00 55.97 54.98 1t6r s LYS 46 Cb 0.17 -3.34 -0.03 0.00 0.00 0.00 0.00 37.83 34.63 1t6r s LYS 46 CO 0.68 -0.54 0.03 0.42 0.00 0.00 0.00 175.35 175.93 1t6r s ILE 47 N 1.42 4.12 -0.48 3.79 -1.09 -1.26 -2.10 121.20 125.59 1t6r s ILE 47 Ca -0.00 -0.25 -0.03 0.00 -2.23 0.00 0.00 60.65 58.14 1t6r s ILE 47 Cb -0.18 -2.88 0.13 0.00 -1.58 0.00 0.00 42.46 37.94 1t6r s ILE 47 CO 0.01 0.41 0.29 -0.69 -1.23 0.00 0.00 174.94 173.73 1t6r s VAL 48 N 1.13 3.49 -0.63 2.92 1.01 0.24 -0.45 120.40 128.11 1t6r s VAL 48 Ca 0.03 -2.34 -0.28 0.00 0.00 0.00 0.00 61.98 59.40 1t6r s VAL 48 Cb -0.14 -3.34 0.03 0.00 0.00 0.00 0.00 36.38 32.92 1t6r s VAL 48 CO 0.02 -0.76 1.26 -0.22 0.00 0.00 0.00 175.10 175.40 1t6r s LEU 49 N 0.76 3.35 -0.38 3.92 2.96 0.08 -2.05 118.68 127.31 1t6r s LEU 49 Ca 0.11 -0.03 -0.20 0.00 -0.22 0.00 0.00 54.13 53.79 1t6r s LEU 49 Cb -0.22 -2.96 0.01 0.00 0.50 0.00 0.00 46.19 43.52 1t6r s LEU 49 CO -0.04 -1.64 0.61 -0.62 -1.32 0.00 0.00 176.35 173.35 1t6r s ASP 50 N 3.48 6.37 -0.45 3.68 -1.08 -0.15 -0.83 116.67 127.69 1t6r s ASP 50 Ca 0.42 -0.07 0.04 0.00 -0.52 0.00 0.00 52.55 52.42 1t6r s ASP 50 Cb -0.08 -2.31 0.48 0.00 -1.46 0.00 0.00 42.92 39.55 1t6r s ASP 50 CO 0.22 -0.64 1.62 0.18 0.52 0.00 0.00 175.17 177.07 1t6r n LEU 51 N 6.06 5.96 0.22 -1.34 7.99 -0.59 -0.47 117.00 134.83 1t6r n LEU 51 Ca -0.02 -4.31 0.15 0.00 -0.01 0.00 0.00 56.01 51.82 1t6r n LEU 51 Cb 0.48 -0.68 0.74 0.00 -0.11 0.00 0.00 43.42 43.86 1t6r n LEU 51 CO 0.50 1.63 0.96 -1.28 -1.51 0.00 0.00 177.39 177.69 1t6r h SER 52 N 1.80 0.00 0.00 -1.43 0.87 -1.73 -3.29 113.55 109.77 1t6r h SER 52 Ca 0.45 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.01 1t6r h SER 52 Cb 1.38 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.34 1t6r h SER 52 CO 1.03 0.00 -0.55 -1.20 -0.53 0.00 0.00 176.83 175.58 1t6r n SER 53 N -2.62 2.55 -4.70 6.23 7.64 -1.24 -4.91 113.62 116.57 1t6r n SER 53 Ca -0.01 -0.25 -0.29 0.00 1.01 0.00 0.00 58.87 59.34 1t6r n SER 53 Cb 0.14 1.02 0.16 0.00 -1.01 0.00 0.00 64.21 64.52 1t6r n SER 53 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1t6r s VAL 54 N -1.57 2.19 0.00 0.44 0.11 -1.22 -4.17 120.40 116.18 1t6r s VAL 54 Ca -0.00 0.06 0.00 0.00 -2.93 0.00 0.00 61.98 59.11 1t6r s VAL 54 Cb 0.00 -2.60 0.00 0.00 -1.53 0.00 0.00 36.38 32.25 1t6r s VAL 54 CO 0.03 -0.08 0.00 -1.20 -3.33 0.00 0.00 175.10 170.51 1t6r n SER 55 N -4.05 0.00 -4.68 3.54 7.64 -1.26 -4.80 113.62 110.01 1t6r n SER 55 Ca 0.06 0.00 -0.39 0.00 1.01 0.00 0.00 58.87 59.55 1t6r n SER 55 Cb 0.57 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.71 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 -1.00 3.42 -0.02 1.43 6.14 -1.26 -3.94 117.35 122.12 1t6r s TYR 56 Ca 0.00 0.88 0.01 0.00 0.64 0.00 0.00 57.07 58.59 1t6r s TYR 56 Cb 0.00 -2.69 0.01 0.00 0.42 0.00 0.00 41.96 39.71 1t6r s TYR 56 CO 0.00 -0.04 -0.01 1.41 0.64 0.00 0.00 175.55 177.55 1t6r s MET 57 N 1.40 0.25 0.00 4.97 1.75 -1.26 -1.45 119.30 124.97 1t6r s MET 57 Ca 0.27 -0.00 0.00 0.00 -1.25 0.00 0.00 55.69 54.71 1t6r s MET 57 Cb -0.16 -0.34 0.00 0.00 2.84 0.00 0.00 34.83 37.17 1t6r s MET 57 CO 0.11 -0.04 0.00 -3.47 -0.65 0.00 0.00 175.02 170.96 1t6r n ASP 58 N 3.60 0.00 0.00 1.11 2.03 -0.03 -4.98 116.55 118.27 1t6r n ASP 58 Ca -0.20 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.11 1t6r n ASP 58 Cb 0.54 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.94 1t6r n ASP 58 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1t6r n ALA 60 N -3.00 0.00 0.21 -1.67 0.00 -1.26 -1.99 120.51 112.80 1t6r n ALA 60 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.49 1t6r n ALA 60 Cb 0.00 0.00 0.46 0.00 0.00 0.00 0.00 19.45 19.91 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 0.00 0.20 0.00 0.00 -1.87 -2.80 103.07 98.60 1t6r h GLY 61 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 1t6r h GLY 61 CO 0.00 0.00 -0.05 -2.00 0.00 0.00 0.00 176.54 174.49 1t6r h LEU 62 N 0.00 -0.13 -2.16 3.11 5.85 -1.78 -3.12 115.31 117.08 1t6r h LEU 62 Ca -0.00 -0.35 0.06 0.00 0.84 0.00 0.00 57.88 58.43 1t6r h LEU 62 Cb 0.51 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.56 1t6r h LEU 62 CO 0.04 0.49 0.21 1.23 -0.34 0.00 0.00 178.44 180.06 1t6r h GLY 63 N -0.95 0.00 0.74 3.75 0.00 -1.87 -0.53 103.07 104.21 1t6r h GLY 63 Ca -0.02 0.00 0.04 0.00 0.00 0.00 0.00 47.33 47.36 1t6r h GLY 63 CO 0.03 0.00 0.28 -0.84 0.00 0.00 0.00 176.54 176.00 1t6r h THR 64 N 0.00 0.97 -0.12 4.70 2.02 -1.43 -0.43 112.91 118.62 1t6r h THR 64 Ca 0.11 -0.18 -0.00 0.00 0.77 0.00 0.00 66.41 67.10 1t6r h THR 64 Cb 0.52 0.39 -0.01 0.00 -1.74 0.00 0.00 68.15 67.31 1t6r h THR 64 CO -0.00 0.10 0.06 -0.07 0.37 0.00 0.00 175.52 175.98 1t6r h LEU 65 N 0.54 0.14 -0.87 2.58 3.38 -1.06 0.12 115.31 120.13 1t6r h LEU 65 Ca 0.23 -0.01 -0.11 0.00 0.09 0.00 0.00 57.88 58.09 1t6r h LEU 65 Cb 0.12 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 1t6r h LEU 65 CO -0.15 0.12 -0.51 0.58 0.09 0.00 0.00 178.44 178.57 1t6r h VAL 66 N 0.16 1.23 0.17 1.22 2.07 -1.27 -0.47 116.25 119.36 1t6r h VAL 66 Ca 0.04 -1.83 -0.01 0.00 0.82 0.00 0.00 66.70 65.72 1t6r h VAL 66 Cb 0.01 2.02 0.00 0.00 -1.52 0.00 0.00 31.29 31.81 1t6r h VAL 66 CO -0.01 0.50 -0.08 0.58 0.02 0.00 0.00 177.57 178.58 1t6r h VAL 67 N 0.00 0.89 -0.78 2.57 2.07 0.74 -2.77 116.25 118.97 1t6r h VAL 67 Ca -0.01 -0.26 0.04 0.00 0.82 0.00 0.00 66.70 67.30 1t6r h VAL 67 Cb 0.98 1.05 -0.05 0.00 -1.52 0.00 0.00 31.29 31.76 1t6r h VAL 67 CO 0.07 0.06 0.52 0.40 0.02 0.00 0.00 177.57 178.63 1t6r h ILE 68 N -0.35 1.10 -0.12 4.57 1.08 -0.57 -0.68 117.51 122.54 1t6r h ILE 68 Ca -0.02 -0.32 0.00 0.00 -0.39 0.00 0.00 64.86 64.13 1t6r h ILE 68 Cb 0.27 0.09 -0.01 0.00 -3.07 0.00 0.00 36.82 34.10 1t6r h ILE 68 CO 0.04 0.17 0.08 0.25 -0.69 0.00 0.00 178.15 178.00 1t6r h LEU 69 N 0.93 0.14 -1.07 1.44 5.85 -1.10 -1.83 115.31 119.66 1t6r h LEU 69 Ca 0.32 -0.01 0.17 0.00 0.84 0.00 0.00 57.88 59.20 1t6r h LEU 69 Cb 0.10 -0.03 -0.09 0.00 0.37 0.00 0.00 40.66 41.00 1t6r h LEU 69 CO -0.10 0.10 0.62 0.50 -0.34 0.00 0.00 178.44 179.22 1t6r h LYS 70 N 0.16 0.78 -0.32 1.25 3.64 -0.84 -0.89 116.57 120.35 1t6r h LYS 70 Ca 0.04 -0.05 -0.15 0.00 -1.27 0.00 0.00 60.65 59.23 1t6r h LYS 70 Cb -0.01 -0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 31.63 1t6r h LYS 70 CO -0.01 0.51 -0.36 0.22 -2.27 0.00 0.00 179.45 177.54 1t6r h ASP 71 N 0.80 0.88 -0.13 4.20 1.82 -1.06 -1.20 116.42 121.72 1t6r h ASP 71 Ca 0.54 -0.48 0.05 0.00 -0.39 0.00 0.00 57.03 56.74 1t6r h ASP 71 Cb 0.79 -0.25 -0.06 0.00 0.68 0.00 0.00 39.33 40.50 1t6r h ASP 71 CO -0.32 1.18 -0.22 0.00 -1.61 0.00 0.00 179.24 178.28 1t6r h ALA 72 N 0.72 -0.18 -0.18 -0.78 0.00 -0.37 0.67 119.26 119.15 1t6r h ALA 72 Ca 0.05 0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.88 1t6r h ALA 72 Cb 0.95 0.43 -0.01 0.00 0.00 0.00 0.00 17.79 19.16 1t6r h ALA 72 CO 0.09 -0.68 -0.40 0.87 0.00 0.00 0.00 179.25 179.13 1t6r h LYS 73 N -0.28 0.40 0.09 0.00 1.79 -1.11 0.22 116.57 117.68 1t6r h LYS 73 Ca 0.10 -0.20 0.02 0.00 -2.18 0.00 0.00 60.65 58.39 1t6r h LYS 73 Cb 0.43 -0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.05 1t6r h LYS 73 CO -0.29 0.74 -0.21 0.82 -1.08 0.00 0.00 179.45 179.43 1t6r h ILE 74 N 0.33 0.52 0.00 1.86 2.04 -1.03 -2.27 117.51 118.96 1t6r h ILE 74 Ca 0.03 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.89 1t6r h ILE 74 Cb 0.86 0.52 0.00 0.00 -0.74 0.00 0.00 36.82 37.46 1t6r h ILE 74 CO 0.07 0.00 0.00 0.59 0.00 0.00 0.00 178.15 178.81 1t6r n ASN 75 N -5.34 0.00 -2.19 1.72 3.02 0.21 -4.91 115.26 107.78 1t6r n ASN 75 Ca -0.06 0.16 -0.07 0.00 -0.03 0.00 0.00 54.58 54.58 1t6r n ASN 75 Cb 0.25 -0.37 0.03 0.00 -0.61 0.00 0.00 39.78 39.09 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 0.68 0.04 3.27 7.41 0.00 0.60 -5.05 105.19 112.14 1t6r n GLY 76 Ca 0.09 -0.01 -0.18 0.00 0.00 0.00 0.00 46.02 45.91 1t6r n GLY 76 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1t6r s LYS 77 N -3.95 1.65 0.35 1.61 -2.85 -0.13 -5.00 119.74 111.42 1t6r s LYS 77 Ca 0.13 -1.94 -0.06 0.00 -1.00 0.00 0.00 55.97 53.10 1t6r s LYS 77 Cb -0.02 0.32 0.08 0.00 -2.06 0.00 0.00 37.83 36.15 1t6r s LYS 77 CO 0.32 -0.60 0.47 0.39 0.10 0.00 0.00 175.35 176.03 1t6r n GLU 78 N -0.55 -0.49 -3.46 1.78 -0.58 -0.28 -4.35 120.64 112.71 1t6r n GLU 78 Ca 0.06 -0.72 0.01 0.00 -0.42 0.00 0.00 57.16 56.09 1t6r n GLU 78 Cb 0.63 -0.49 -0.05 0.00 -0.57 0.00 0.00 31.44 30.96 1t6r n GLU 78 CO 0.00 0.00 0.00 0.12 -0.48 0.00 0.00 177.13 176.77 1t6r s PHE 79 N -2.02 -0.43 0.23 -0.32 5.36 -1.26 -4.49 117.98 115.04 1t6r s PHE 79 Ca 0.27 0.79 0.04 0.00 -0.96 0.00 0.00 56.93 57.07 1t6r s PHE 79 Cb -0.01 0.26 -0.05 0.00 -0.34 0.00 0.00 43.02 42.88 1t6r s PHE 79 CO 0.19 -0.21 -0.03 0.42 -1.46 0.00 0.00 175.22 174.12 1t6r s ILE 80 N 1.87 1.19 0.51 3.12 1.01 0.41 -4.47 121.20 124.83 1t6r s ILE 80 Ca -0.04 -2.06 0.03 0.00 0.00 0.00 0.00 60.65 58.57 1t6r s ILE 80 Cb -0.04 -2.29 -0.01 0.00 0.01 0.00 0.00 42.46 40.14 1t6r s ILE 80 CO -0.15 -0.39 0.11 -0.76 0.00 0.00 0.00 174.94 173.75 1t6r s LEU 81 N -3.31 2.47 0.11 2.97 1.43 -1.15 -0.74 118.68 120.45 1t6r s LEU 81 Ca 0.27 -1.51 -0.23 0.00 -1.03 0.00 0.00 54.13 51.63 1t6r s LEU 81 Cb 0.05 -0.89 0.06 0.00 0.03 0.00 0.00 46.19 45.44 1t6r s LEU 81 CO 0.08 -0.88 0.57 -0.44 0.23 0.00 0.00 176.35 175.91 1t6r s SER 82 N -3.97 -0.51 -0.76 2.29 0.01 -0.01 -2.03 113.70 108.71 1t6r s SER 82 Ca 0.16 0.08 -0.03 0.00 1.31 0.00 0.00 55.95 57.47 1t6r s SER 82 Cb 0.01 0.56 0.00 0.00 0.21 0.00 0.00 66.02 66.80 1t6r s SER 82 CO 0.09 -0.86 0.65 -1.20 0.41 0.00 0.00 173.24 172.33 1t6r n SER 83 N -0.05 -3.51 -4.57 2.44 7.64 -1.14 -1.54 113.62 112.89 1t6r n SER 83 Ca -0.17 -0.34 -0.38 0.00 1.01 0.00 0.00 58.87 58.98 1t6r n SER 83 Cb 0.63 -3.19 -0.03 0.00 -1.01 0.00 0.00 64.21 60.61 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 -4.65 3.41 -1.11 -3.43 2.01 -1.26 -3.55 118.68 110.09 1t6r s LEU 84 Ca 0.20 1.28 -0.21 0.00 0.01 0.00 0.00 54.13 55.41 1t6r s LEU 84 Cb -0.09 -2.83 -0.08 0.00 0.01 0.00 0.00 46.19 43.20 1t6r s LEU 84 CO 0.43 -2.56 1.92 0.29 1.01 0.00 0.00 176.35 177.44 1t6r n LYS 85 N 8.93 1.89 0.00 1.70 4.76 -1.26 -4.64 118.16 129.54 1t6r n LYS 85 Ca 0.33 -2.45 0.00 0.00 -2.87 0.00 0.00 58.31 53.33 1t6r n LYS 85 Cb 0.52 -3.47 0.00 0.00 -1.84 0.00 0.00 35.03 30.24 1t6r n LYS 85 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1t6r n GLU 86 N 7.86 0.00 -0.13 1.97 1.02 -1.26 -0.16 120.64 129.93 1t6r n GLU 86 Ca 0.47 0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 57.50 1t6r n GLU 86 Cb 0.45 0.00 -0.08 0.00 -0.02 0.00 0.00 31.44 31.78 1t6r n GLU 86 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1t6r h SER 87 N 0.00 -1.55 0.07 1.62 0.87 -1.91 0.98 113.55 113.64 1t6r h SER 87 Ca 0.00 0.21 0.02 0.00 -1.23 0.00 0.00 61.79 60.79 1t6r h SER 87 Cb 0.00 0.64 -0.05 0.00 -0.44 0.00 0.00 62.40 62.55 1t6r h SER 87 CO 0.00 -0.32 -0.40 0.40 -0.53 0.00 0.00 176.83 175.98 1t6r h ILE 88 N -0.30 0.18 -0.96 2.23 1.08 -0.68 -2.99 117.51 116.07 1t6r h ILE 88 Ca 0.07 0.00 0.13 0.00 -0.39 0.00 0.00 64.86 64.67 1t6r h ILE 88 Cb 0.47 0.18 -0.15 0.00 -3.07 0.00 0.00 36.82 34.25 1t6r h ILE 88 CO -0.51 0.00 -0.42 -0.24 -0.69 0.00 0.00 178.15 176.29 1t6r n SER 89 N -5.45 -0.72 -0.08 1.72 2.88 -0.74 -0.24 113.62 110.99 1t6r n SER 89 Ca -0.07 1.69 -0.07 0.00 -1.33 0.00 0.00 58.87 59.10 1t6r n SER 89 Cb 0.37 -0.35 0.00 0.00 -0.75 0.00 0.00 64.21 63.48 1t6r n SER 89 CO 0.00 0.00 0.00 -0.09 -1.23 0.00 0.00 175.04 173.72 1t6r h ARG 90 N 0.00 0.10 -0.38 -1.46 9.65 -0.69 -1.63 114.38 119.97 1t6r h ARG 90 Ca 0.29 -0.01 -0.03 0.00 -1.10 0.00 0.00 59.98 59.14 1t6r h ARG 90 Cb 0.53 -0.02 -0.02 0.00 -1.39 0.00 0.00 29.97 29.07 1t6r h ARG 90 CO -0.94 0.06 0.12 0.82 2.80 0.00 0.00 179.97 182.83 1t6r h ILE 91 N 0.10 1.16 0.14 1.20 2.04 -0.53 0.32 117.51 121.94 1t6r h ILE 91 Ca 0.14 -0.54 -0.01 0.00 1.00 0.00 0.00 64.86 65.46 1t6r h ILE 91 Cb 0.19 0.75 0.00 0.00 -0.74 0.00 0.00 36.82 37.02 1t6r h ILE 91 CO -0.24 0.20 -0.07 -0.07 0.00 0.00 0.00 178.15 177.97 1t6r h LEU 92 N 0.54 -0.16 0.00 1.44 -0.00 -0.85 -2.53 115.31 113.74 1t6r h LEU 92 Ca 0.13 -0.14 0.00 0.00 -0.00 0.00 0.00 57.88 57.87 1t6r h LEU 92 Cb 0.16 0.04 0.00 0.00 -0.00 0.00 0.00 40.66 40.86 1t6r h LEU 92 CO -0.01 0.05 0.01 0.29 -0.00 0.00 0.00 178.44 178.78 1t6r n LYS 93 N -5.09 0.00 -0.00 1.13 4.01 0.42 -2.15 118.16 116.47 1t6r n LYS 93 Ca -0.09 0.33 -0.00 0.00 -0.51 0.00 0.00 58.31 58.05 1t6r n LYS 93 Cb 0.17 -1.51 -0.00 0.00 -0.51 0.00 0.00 35.03 33.18 1t6r n LYS 93 CO 0.00 0.00 0.00 -0.07 -1.11 0.00 0.00 177.40 176.22 1t6r h LEU 94 N 0.00 -0.01 -0.75 -0.35 3.38 -0.06 -3.36 115.31 114.16 1t6r h LEU 94 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1t6r h LEU 94 Cb 0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1t6r h LEU 94 CO 0.00 0.05 0.00 0.41 0.09 0.00 0.00 178.44 178.99 1t6r n THR 95 N -2.35 0.00 -2.49 0.22 -1.04 -1.23 -4.78 114.28 102.60 1t6r n THR 95 Ca -0.00 0.00 -0.19 0.00 -2.04 0.00 0.00 64.05 61.82 1t6r n THR 95 Cb 0.00 -0.35 -0.00 0.00 -1.82 0.00 0.00 70.33 68.16 1t6r n THR 95 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 1t6r n HIS 96 N -0.09 -1.23 0.26 -1.42 8.25 -1.23 -4.88 115.22 114.88 1t6r n HIS 96 Ca 0.00 0.06 0.13 0.00 -0.26 0.00 0.00 57.72 57.65 1t6r n HIS 96 Cb 0.17 -3.67 0.71 0.00 1.12 0.00 0.00 29.99 28.32 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 -0.15 0.00 0.00 2.41 3.38 -1.74 -3.07 115.31 116.14 1t6r h LEU 97 Ca -0.44 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.53 1t6r h LEU 97 Cb 1.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.07 1t6r h LEU 97 CO 0.52 0.12 0.00 -0.90 0.09 0.00 0.00 178.44 178.27 1t6r n ASP 98 N -3.52 0.00 -0.03 -0.43 5.75 -1.25 -0.73 116.55 116.33 1t6r n ASP 98 Ca -0.01 0.18 0.00 0.00 -0.01 0.00 0.00 54.79 54.95 1t6r n ASP 98 Cb 0.27 -0.32 0.01 0.00 -1.03 0.00 0.00 41.12 40.04 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 -1.32 1.89 0.00 0.11 2.85 -1.16 -3.48 118.16 117.05 1t6r n LYS 99 Ca 0.05 -1.25 0.00 0.00 -1.05 0.00 0.00 58.31 56.06 1t6r n LYS 99 Cb 0.10 -1.01 0.00 0.00 -0.65 0.00 0.00 35.03 33.47 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 -0.31 0.00 0.89 0.58 5.41 -0.32 -4.57 119.36 121.04 1t6r n ILE 100 Ca 0.01 0.34 0.01 0.00 1.00 0.00 0.00 62.75 64.10 1t6r n ILE 100 Cb 0.19 -1.34 0.05 0.00 -0.71 0.00 0.00 39.64 37.84 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 -2.49 0.24 -1.05 1.39 3.72 0.09 -4.99 117.46 114.37 1t6r n PHE 101 Ca 0.00 -0.09 0.00 0.00 -0.05 0.00 0.00 57.45 57.31 1t6r n PHE 101 Cb 0.00 -0.13 0.00 0.00 -0.94 0.00 0.00 39.48 38.41 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 0.04 0.00 -3.51 -1.08 4.81 -1.24 -2.92 118.16 114.26 1t6r n LYS 102 Ca 0.03 0.00 -0.09 0.00 -0.87 0.00 0.00 58.31 57.39 1t6r n LYS 102 Cb 0.33 0.00 -0.02 0.00 0.02 0.00 0.00 35.03 35.36 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 0.12 3.15 2.07 -1.23 -4.14 121.20 121.17 1t6r s ILE 103 Ca 0.00 -0.04 -0.02 0.00 -1.41 0.00 0.00 60.65 59.18 1t6r s ILE 103 Cb 0.00 -1.06 -0.04 0.00 0.13 0.00 0.00 42.46 41.49 1t6r s ILE 103 CO 0.00 0.00 0.07 0.42 -1.91 0.00 0.00 174.94 173.52 1t6r s THR 104 N -3.23 0.11 0.03 4.00 -4.23 -0.86 -4.93 115.64 106.53 1t6r s THR 104 Ca 0.05 -1.84 -0.03 0.00 -1.18 0.00 0.00 61.69 58.69 1t6r s THR 104 Cb -0.01 -1.95 -0.27 0.00 1.34 0.00 0.00 72.50 71.60 1t6r s THR 104 CO -0.09 -0.52 0.97 0.44 -0.54 0.00 0.00 174.62 174.88 1t6r h ASP 105 N 2.87 0.37 -4.66 3.99 3.32 -1.95 -3.02 116.42 117.34 1t6r h ASP 105 Ca -0.35 -0.47 -0.24 0.00 0.02 0.00 0.00 57.03 55.99 1t6r h ASP 105 Cb 1.19 -0.12 -0.17 0.00 0.22 0.00 0.00 39.33 40.45 1t6r h ASP 105 CO 0.59 1.38 -0.71 0.42 -1.72 0.00 0.00 179.24 179.20 1t6r s THR 106 N -2.63 0.64 -0.45 0.35 -4.23 -1.26 -2.94 115.64 105.12 1t6r s THR 106 Ca -0.07 -1.61 0.26 0.00 -1.18 0.00 0.00 61.69 59.09 1t6r s THR 106 Cb 0.07 -1.28 0.28 0.00 1.34 0.00 0.00 72.50 72.91 1t6r s THR 106 CO 0.86 -0.68 1.76 1.62 -0.54 0.00 0.00 174.62 177.64 1t6r h VAL 107 N 3.55 0.00 0.00 2.29 3.04 -1.97 -0.54 116.25 122.62 1t6r h VAL 107 Ca -0.36 -0.35 0.00 0.00 -1.01 0.00 0.00 66.70 64.98 1t6r h VAL 107 Cb 1.18 1.19 0.00 0.00 -2.01 0.00 0.00 31.29 31.65 1t6r h VAL 107 CO 0.56 0.00 0.00 -0.33 -1.01 0.00 0.00 177.57 176.79 1t6r h GLU 108 N 0.00 0.00 -0.19 4.17 5.08 -2.02 -2.51 114.58 119.10 1t6r h GLU 108 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1t6r h GLU 108 Cb 0.49 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.74 1t6r h GLU 108 CO 0.00 0.00 0.00 0.39 -1.00 0.00 0.00 179.01 178.40 1t6r n GLU 109 N -2.73 2.13 0.00 2.33 1.02 -0.21 -5.19 120.64 117.99 1t6r n GLU 109 Ca -0.00 -1.68 0.13 0.00 -0.02 0.00 0.00 57.16 55.59 1t6r n GLU 109 Cb 0.19 -1.46 0.28 0.00 -0.02 0.00 0.00 31.44 30.42 1t6r n GLU 109 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31