#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t6r n ASN 2 N 0.00 -0.82 0.02 3.17 4.13 -1.26 -5.00 115.26 115.51 1t6r n ASN 2 Ca 0.00 -2.55 -0.21 0.00 1.68 0.00 0.00 54.58 53.50 1t6r n ASN 2 Cb 0.00 -0.19 -0.14 0.00 -1.54 0.00 0.00 39.78 37.91 1t6r n ASN 2 CO 0.00 0.00 0.00 -1.13 0.28 0.00 0.00 177.26 176.41 1t6r h ASN 3 N 5.12 0.42 -2.54 6.41 -1.24 -2.00 -3.46 115.58 118.30 1t6r h ASN 3 Ca 0.18 -0.88 -0.53 0.00 0.71 0.00 0.00 56.30 55.78 1t6r h ASN 3 Cb 0.93 -0.14 0.03 0.00 0.73 0.00 0.00 38.32 39.88 1t6r h ASN 3 CO 0.34 1.58 1.11 -0.22 -1.29 0.00 0.00 177.43 178.95 1t6r s LEU 4 N -7.61 4.40 0.18 0.34 1.98 -1.26 -4.60 118.68 112.10 1t6r s LEU 4 Ca -0.18 2.67 -0.05 0.00 -2.89 0.00 0.00 54.13 53.68 1t6r s LEU 4 Cb 0.04 -3.56 -0.02 0.00 0.66 0.00 0.00 46.19 43.30 1t6r s LEU 4 CO 0.79 -0.99 0.21 -0.54 -1.89 0.00 0.00 176.35 173.94 1t6r s LYS 5 N 3.03 1.17 -0.19 1.98 -0.14 0.70 -5.01 119.74 121.30 1t6r s LYS 5 Ca 0.80 -1.38 -0.04 0.00 -1.36 0.00 0.00 55.97 53.99 1t6r s LYS 5 Cb -0.44 0.33 0.09 0.00 -1.68 0.00 0.00 37.83 36.13 1t6r s LYS 5 CO 0.36 -0.41 0.28 -0.51 -0.76 0.00 0.00 175.35 174.31 1t6r s LEU 6 N -3.05 -0.32 -0.93 3.17 1.43 -1.26 -1.18 118.68 116.53 1t6r s LEU 6 Ca 0.26 0.23 -0.07 0.00 -1.03 0.00 0.00 54.13 53.52 1t6r s LEU 6 Cb 0.05 0.71 0.24 0.00 0.03 0.00 0.00 46.19 47.21 1t6r s LEU 6 CO 0.05 -0.28 0.86 -1.81 0.23 0.00 0.00 176.35 175.40 1t6r s ASP 7 N 2.42 6.57 0.24 2.29 1.11 -0.03 -4.96 116.67 124.32 1t6r s ASP 7 Ca 0.06 -3.37 -0.26 0.00 0.18 0.00 0.00 52.55 49.16 1t6r s ASP 7 Cb -0.14 -2.08 -0.09 0.00 1.07 0.00 0.00 42.92 41.68 1t6r s ASP 7 CO -0.12 -0.32 0.86 -0.63 1.18 0.00 0.00 175.17 176.14 1t6r s ILE 8 N -0.87 4.28 -0.02 0.77 1.01 -1.26 -1.02 121.20 124.10 1t6r s ILE 8 Ca 0.26 1.76 -0.02 0.00 0.00 0.00 0.00 60.65 62.64 1t6r s ILE 8 Cb -0.10 -4.09 0.00 0.00 0.01 0.00 0.00 42.46 38.28 1t6r s ILE 8 CO -0.09 0.34 0.06 -0.69 0.00 0.00 0.00 174.94 174.55 1t6r s VAL 9 N -1.38 0.02 0.00 2.92 1.01 0.32 -4.98 120.40 118.32 1t6r s VAL 9 Ca 0.43 -0.14 0.00 0.00 0.00 0.00 0.00 61.98 62.26 1t6r s VAL 9 Cb -0.21 -0.13 0.00 0.00 0.00 0.00 0.00 36.38 36.03 1t6r s VAL 9 CO 0.26 -0.08 0.00 -0.62 0.00 0.00 0.00 175.10 174.66 1t6r n GLU 10 N 2.78 0.93 -0.19 2.72 1.02 -1.26 -0.61 120.64 126.05 1t6r n GLU 10 Ca -0.14 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.00 1t6r n GLU 10 Cb 0.59 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.01 1t6r n GLU 10 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1t6r n GLN 11 N 0.00 0.00 -1.00 3.49 3.00 -1.26 -4.68 117.38 116.93 1t6r n GLN 11 Ca 0.00 0.00 -0.11 0.00 -0.01 0.00 0.00 57.00 56.88 1t6r n GLN 11 Cb 0.00 -2.63 0.23 0.00 0.00 0.00 0.00 30.24 27.84 1t6r n GLN 11 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.06 173.59 1t6r n ASP 12 N 0.00 3.70 0.00 1.08 -0.08 -1.26 -4.94 116.55 115.04 1t6r n ASP 12 Ca 0.00 -3.51 0.00 0.00 -1.51 0.00 0.00 54.79 49.77 1t6r n ASP 12 Cb 0.00 -0.74 0.00 0.00 2.34 0.00 0.00 41.12 42.72 1t6r n ASP 12 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 1t6r n ASP 13 N -0.84 0.00 -5.00 1.67 8.00 -1.26 -4.88 116.55 114.24 1t6r n ASP 13 Ca 0.45 0.00 -0.18 0.00 0.71 0.00 0.00 54.79 55.77 1t6r n ASP 13 Cb 1.37 -0.82 0.01 0.00 -0.02 0.00 0.00 41.12 41.66 1t6r n ASP 13 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1t6r s LYS 14 N 0.00 2.84 -0.25 -1.24 1.02 -1.26 -4.78 119.74 116.07 1t6r s LYS 14 Ca 0.00 -1.11 -0.02 0.00 0.02 0.00 0.00 55.97 54.86 1t6r s LYS 14 Cb 0.00 -2.72 0.02 0.00 -0.52 0.00 0.00 37.83 34.61 1t6r s LYS 14 CO 0.00 -0.28 -0.05 0.00 -0.92 0.00 0.00 175.35 174.10 1t6r s ALA 15 N -2.39 2.74 -0.12 5.17 0.00 -0.96 -4.27 121.76 121.92 1t6r s ALA 15 Ca 0.54 -1.45 0.02 0.00 0.00 0.00 0.00 51.96 51.07 1t6r s ALA 15 Cb -0.10 -1.73 0.01 0.00 0.00 0.00 0.00 23.12 21.30 1t6r s ALA 15 CO 0.34 -0.80 -0.18 0.42 0.00 0.00 0.00 175.76 175.54 1t6r s ILE 16 N 1.35 1.68 -0.27 0.00 1.01 0.22 -0.84 121.20 124.35 1t6r s ILE 16 Ca 0.01 -0.75 -0.01 0.00 0.00 0.00 0.00 60.65 59.89 1t6r s ILE 16 Cb -0.17 -1.51 0.08 0.00 0.01 0.00 0.00 42.46 40.88 1t6r s ILE 16 CO -0.04 0.48 0.06 0.54 0.00 0.00 0.00 174.94 175.97 1t6r s VAL 17 N 0.89 0.96 -0.61 2.92 0.11 -0.76 -0.52 120.40 123.40 1t6r s VAL 17 Ca -0.08 -1.21 -0.27 0.00 -2.93 0.00 0.00 61.98 57.50 1t6r s VAL 17 Cb -0.15 -1.58 -0.01 0.00 -1.53 0.00 0.00 36.38 33.11 1t6r s VAL 17 CO -0.01 -0.47 1.72 -0.13 -3.33 0.00 0.00 175.10 172.88 1t6r s ARG 18 N 1.61 2.83 0.23 1.54 0.52 -0.19 -0.79 118.95 124.70 1t6r s ARG 18 Ca 0.05 0.51 -0.31 0.00 -0.52 0.00 0.00 55.73 55.46 1t6r s ARG 18 Cb -0.18 -4.31 -0.10 0.00 0.52 0.00 0.00 34.95 30.88 1t6r s ARG 18 CO -0.17 -2.50 1.51 0.08 0.02 0.00 0.00 175.30 174.24 1t6r s VAL 19 N 8.08 2.54 -0.20 3.52 1.01 0.15 -0.85 120.40 134.65 1t6r s VAL 19 Ca 0.61 0.43 0.01 0.00 0.00 0.00 0.00 61.98 63.03 1t6r s VAL 19 Cb -0.12 -3.28 0.05 0.00 0.00 0.00 0.00 36.38 33.03 1t6r s VAL 19 CO 0.21 0.06 -0.09 -1.10 0.00 0.00 0.00 175.10 174.18 1t6r s GLN 20 N 0.15 1.91 0.00 2.72 -0.21 -0.33 -3.50 119.66 120.41 1t6r s GLN 20 Ca 0.64 -0.86 0.00 0.00 0.02 0.00 0.00 55.36 55.16 1t6r s GLN 20 Cb -0.44 -2.43 0.00 0.00 1.00 0.00 0.00 33.01 31.15 1t6r s GLN 20 CO 0.40 -0.46 0.00 0.41 -2.12 0.00 0.00 175.29 173.51 1t6r n GLY 21 N 4.69 2.60 3.97 3.09 0.00 -1.25 -0.21 105.19 118.08 1t6r n GLY 21 Ca -0.14 -2.07 -0.26 0.00 0.00 0.00 0.00 46.02 43.55 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 3.66 -0.53 1.61 1.01 -1.26 -3.37 116.67 117.80 1t6r s ASP 22 Ca 0.00 -0.17 0.04 0.00 0.71 0.00 0.00 52.55 53.12 1t6r s ASP 22 Cb 0.00 0.01 0.16 0.00 1.01 0.00 0.00 42.92 44.09 1t6r s ASP 22 CO 0.00 -2.34 0.35 -0.63 0.21 0.00 0.00 175.17 172.76 1t6r s ILE 23 N -3.50 1.66 0.35 0.77 1.01 -0.46 -4.70 121.20 116.34 1t6r s ILE 23 Ca 0.71 -3.19 0.03 0.00 0.00 0.00 0.00 60.65 58.19 1t6r s ILE 23 Cb -0.04 -2.13 0.03 0.00 0.01 0.00 0.00 42.46 40.33 1t6r s ILE 23 CO 0.49 -1.02 0.21 0.47 0.00 0.00 0.00 174.94 175.09 1t6r n ASP 24 N 2.80 2.29 0.07 3.58 9.92 -1.26 -0.73 116.55 133.22 1t6r n ASP 24 Ca 0.18 -2.27 0.05 0.00 -0.53 0.00 0.00 54.79 52.22 1t6r n ASP 24 Cb 0.38 0.02 0.24 0.00 -0.64 0.00 0.00 41.12 41.13 1t6r n ASP 24 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1t6r n ALA 25 N -2.20 0.94 0.94 2.24 0.00 -1.26 0.26 120.51 121.43 1t6r n ALA 25 Ca -0.12 0.08 0.12 0.00 0.00 0.00 0.00 53.44 53.53 1t6r n ALA 25 Cb 0.41 -1.05 0.30 0.00 0.00 0.00 0.00 19.45 19.11 1t6r n ALA 25 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1t6r n TYR 26 N -1.80 0.08 0.00 0.00 4.02 -1.26 -4.37 117.16 113.83 1t6r n TYR 26 Ca -0.01 0.02 0.00 0.00 -0.01 0.00 0.00 57.90 57.91 1t6r n TYR 26 Cb 0.06 -0.35 0.00 0.00 -0.02 0.00 0.00 39.34 39.03 1t6r n TYR 26 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 1t6r n ASN 27 N -1.58 0.21 -0.27 7.72 3.02 -0.38 -4.75 115.26 119.24 1t6r n ASN 27 Ca 0.05 0.00 0.12 0.00 -0.03 0.00 0.00 54.58 54.73 1t6r n ASN 27 Cb 0.35 0.00 0.38 0.00 -0.61 0.00 0.00 39.78 39.90 1t6r n ASN 27 CO 0.00 0.00 0.00 -1.28 -2.62 0.00 0.00 177.26 173.36 1t6r h SER 28 N 0.00 0.65 -0.54 6.41 0.87 -0.46 0.50 113.55 120.97 1t6r h SER 28 Ca 0.00 0.04 0.16 0.00 -1.23 0.00 0.00 61.79 60.76 1t6r h SER 28 Cb 0.31 -0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 62.17 1t6r h SER 28 CO 0.00 0.32 0.54 0.28 -0.53 0.00 0.00 176.83 177.44 1t6r h SER 29 N 0.68 0.00 0.00 6.23 0.02 -1.76 0.52 113.55 119.24 1t6r h SER 29 Ca 0.45 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.40 1t6r h SER 29 Cb 0.75 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.29 1t6r h SER 29 CO -0.21 0.00 -0.99 -1.84 -1.14 0.00 0.00 176.83 172.65 1t6r n GLU 30 N -3.75 0.00 -0.45 3.45 0.28 0.14 -4.31 120.64 116.01 1t6r n GLU 30 Ca 0.10 0.00 0.37 0.00 -0.16 0.00 0.00 57.16 57.47 1t6r n GLU 30 Cb 0.75 -0.50 0.65 0.00 1.43 0.00 0.00 31.44 33.78 1t6r n GLU 30 CO 0.00 0.00 0.00 1.25 -0.16 0.00 0.00 177.13 178.22 1t6r h LEU 31 N 0.00 0.24 0.42 -1.84 6.46 -0.21 -0.62 115.31 119.75 1t6r h LEU 31 Ca 0.00 0.12 -0.02 0.00 -0.12 0.00 0.00 57.88 57.86 1t6r h LEU 31 Cb 0.99 0.11 0.00 0.00 -0.73 0.00 0.00 40.66 41.03 1t6r h LEU 31 CO 0.00 -0.15 -0.20 0.50 -0.62 0.00 0.00 178.44 177.97 1t6r h LYS 32 N 0.10 -0.54 0.00 1.25 3.64 -1.06 -1.95 116.57 118.01 1t6r h LYS 32 Ca 0.81 0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 60.22 1t6r h LYS 32 Cb 2.56 0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 34.50 1t6r h LYS 32 CO -0.38 -0.36 -0.02 1.05 -2.27 0.00 0.00 179.45 177.47 1t6r h GLU 33 N -0.64 0.00 0.20 1.90 4.11 -1.44 0.24 114.58 118.96 1t6r h GLU 33 Ca -0.06 0.00 -0.30 0.00 0.07 0.00 0.00 59.36 59.08 1t6r h GLU 33 Cb 0.43 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.70 1t6r h GLU 33 CO 0.09 0.02 -1.36 1.96 0.07 0.00 0.00 179.01 179.79 1t6r h GLN 34 N 0.00 0.43 0.00 1.06 4.20 -1.20 -1.91 115.11 117.69 1t6r h GLN 34 Ca -0.00 -0.73 -0.07 0.00 0.06 0.00 0.00 58.65 57.91 1t6r h GLN 34 Cb 0.32 0.27 -0.01 0.00 0.30 0.00 0.00 27.48 28.36 1t6r h GLN 34 CO 0.00 1.35 -0.34 -0.07 -0.67 0.00 0.00 178.83 179.10 1t6r h LEU 35 N -0.04 0.00 0.45 1.46 3.38 -0.69 -0.94 115.31 118.93 1t6r h LEU 35 Ca -0.25 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.70 1t6r h LEU 35 Cb 1.98 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.74 1t6r h LEU 35 CO 0.21 0.34 -0.22 -0.09 0.09 0.00 0.00 178.44 178.77 1t6r h ARG 36 N 0.00 -0.58 -0.51 1.13 1.12 -0.52 -2.23 114.38 112.80 1t6r h ARG 36 Ca -0.00 0.04 0.03 0.00 -1.11 0.00 0.00 59.98 58.94 1t6r h ARG 36 Cb 0.64 0.13 -0.04 0.00 -0.01 0.00 0.00 29.97 30.69 1t6r h ARG 36 CO 0.04 -0.31 0.28 -0.97 -3.11 0.00 0.00 179.97 175.90 1t6r h ASN 37 N -0.77 0.43 -0.36 -3.80 -0.73 -1.26 -2.68 115.58 106.41 1t6r h ASN 37 Ca -0.06 0.02 0.06 0.00 1.87 0.00 0.00 56.30 58.19 1t6r h ASN 37 Cb 0.54 -0.07 -0.08 0.00 0.27 0.00 0.00 38.32 38.98 1t6r h ASN 37 CO 0.10 0.30 -0.47 0.15 -0.37 0.00 0.00 177.43 177.14 1t6r h PHE 38 N 0.55 -1.39 -0.06 0.67 3.57 -1.11 0.12 116.94 119.30 1t6r h PHE 38 Ca 0.21 0.07 -0.03 0.00 3.53 0.00 0.00 57.97 61.75 1t6r h PHE 38 Cb 0.08 0.66 -0.01 0.00 2.79 0.00 0.00 35.95 39.47 1t6r h PHE 38 CO -0.08 -0.47 -0.13 0.82 -2.23 0.00 0.00 178.31 176.22 1t6r h ILE 39 N -0.38 1.13 0.00 1.41 2.04 -1.19 0.14 117.51 120.66 1t6r h ILE 39 Ca 0.11 -0.57 0.00 0.00 1.00 0.00 0.00 64.86 65.40 1t6r h ILE 39 Cb 0.60 1.23 0.00 0.00 -0.74 0.00 0.00 36.82 37.91 1t6r h ILE 39 CO -0.55 0.17 -0.25 -1.20 0.00 0.00 0.00 178.15 176.32 1t6r n SER 40 N -4.34 0.27 -0.04 1.72 7.64 -0.43 -4.01 113.62 114.42 1t6r n SER 40 Ca -0.02 0.15 -0.03 0.00 1.01 0.00 0.00 58.87 59.99 1t6r n SER 40 Cb 0.22 -0.15 -0.09 0.00 -1.01 0.00 0.00 64.21 63.19 1t6r n SER 40 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1t6r n THR 41 N -1.55 0.57 -1.90 0.44 -2.24 0.30 -4.99 114.28 104.92 1t6r n THR 41 Ca 0.06 -0.41 -0.43 0.00 -2.27 0.00 0.00 64.05 61.00 1t6r n THR 41 Cb 0.34 -0.50 -0.03 0.00 -2.10 0.00 0.00 70.33 68.05 1t6r n THR 41 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1t6r s THR 42 N -2.38 3.39 -2.00 4.28 -1.32 0.45 -4.88 115.64 113.18 1t6r s THR 42 Ca -0.05 0.45 0.12 0.00 -1.21 0.00 0.00 61.69 61.00 1t6r s THR 42 Cb 0.04 -3.38 0.34 0.00 -1.51 0.00 0.00 72.50 67.99 1t6r s THR 42 CO 0.45 -0.14 1.22 -1.20 -2.21 0.00 0.00 174.62 172.74 1t6r n SER 43 N 8.68 0.00 -4.86 8.08 7.64 -1.26 -4.81 113.62 127.09 1t6r n SER 43 Ca 0.21 -0.95 -0.33 0.00 1.01 0.00 0.00 58.87 58.81 1t6r n SER 43 Cb 0.44 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.58 1t6r n SER 43 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1t6r s LYS 44 N -2.00 3.91 0.00 1.43 -0.14 -1.26 -4.98 119.74 116.70 1t6r s LYS 44 Ca 0.18 0.45 0.29 0.00 -1.36 0.00 0.00 55.97 55.52 1t6r s LYS 44 Cb 0.08 -2.64 1.20 0.00 -1.68 0.00 0.00 37.83 34.79 1t6r s LYS 44 CO 0.14 0.30 1.83 1.63 -0.76 0.00 0.00 175.35 178.49 1t6r n LYS 45 N -0.03 1.28 -4.18 1.68 4.01 -1.26 -4.80 118.16 114.86 1t6r n LYS 45 Ca 0.00 -0.61 -0.27 0.00 -0.51 0.00 0.00 58.31 56.92 1t6r n LYS 45 Cb 0.52 -1.49 -0.17 0.00 -0.51 0.00 0.00 35.03 33.39 1t6r n LYS 45 CO 0.00 0.00 0.00 -1.59 -1.11 0.00 0.00 177.40 174.70 1t6r s LYS 46 N -2.14 1.86 -0.11 1.97 0.00 -1.26 -0.79 119.74 119.26 1t6r s LYS 46 Ca 0.37 -0.41 0.02 0.00 0.00 0.00 0.00 55.97 55.95 1t6r s LYS 46 Cb 0.21 -1.71 0.01 0.00 0.00 0.00 0.00 37.83 36.34 1t6r s LYS 46 CO 0.39 -0.16 -0.17 0.42 0.00 0.00 0.00 175.35 175.83 1t6r s ILE 47 N 1.30 1.62 -0.28 3.79 1.09 -1.24 -2.27 121.20 125.20 1t6r s ILE 47 Ca -0.01 -0.72 0.03 0.00 -1.10 0.00 0.00 60.65 58.85 1t6r s ILE 47 Cb -0.14 -1.46 0.07 0.00 -1.06 0.00 0.00 42.46 39.87 1t6r s ILE 47 CO -0.05 0.46 -0.05 -0.69 -0.10 0.00 0.00 174.94 174.51 1t6r s VAL 48 N 0.93 2.09 -0.73 2.92 1.01 -0.02 -1.31 120.40 125.29 1t6r s VAL 48 Ca -0.07 -1.79 -0.22 0.00 0.00 0.00 0.00 61.98 59.90 1t6r s VAL 48 Cb -0.15 -2.32 0.08 0.00 0.00 0.00 0.00 36.38 33.98 1t6r s VAL 48 CO -0.01 -0.22 1.03 -0.22 0.00 0.00 0.00 175.10 175.68 1t6r s LEU 49 N 1.09 4.42 -0.31 3.92 2.96 0.01 -1.82 118.68 128.94 1t6r s LEU 49 Ca -0.02 -1.19 -0.29 0.00 -0.22 0.00 0.00 54.13 52.41 1t6r s LEU 49 Cb -0.20 -2.43 0.00 0.00 0.50 0.00 0.00 46.19 44.07 1t6r s LEU 49 CO -0.07 -1.39 1.35 -0.62 -1.32 0.00 0.00 176.35 174.31 1t6r s ASP 50 N 3.74 6.58 -0.11 3.68 -1.08 0.03 -0.73 116.67 128.77 1t6r s ASP 50 Ca 0.26 1.17 0.14 0.00 -0.52 0.00 0.00 52.55 53.59 1t6r s ASP 50 Cb -0.13 -2.54 0.59 0.00 -1.46 0.00 0.00 42.92 39.38 1t6r s ASP 50 CO 0.06 -1.17 1.46 0.18 0.52 0.00 0.00 175.17 176.22 1t6r n LEU 51 N 7.93 4.09 0.00 -1.34 4.77 -0.11 -0.67 117.00 131.68 1t6r n LEU 51 Ca 0.15 -2.07 0.04 0.00 -0.03 0.00 0.00 56.01 54.11 1t6r n LEU 51 Cb 0.47 -0.55 0.24 0.00 -2.33 0.00 0.00 43.42 41.25 1t6r n LEU 51 CO 0.65 0.63 0.51 -0.24 -1.33 0.00 0.00 177.39 177.61 1t6r n SER 52 N 0.76 0.00 0.00 -1.43 2.88 -1.21 -1.15 113.62 113.48 1t6r n SER 52 Ca 0.21 -0.14 0.00 0.00 -1.33 0.00 0.00 58.87 57.61 1t6r n SER 52 Cb 0.80 -0.08 0.00 0.00 -0.75 0.00 0.00 64.21 64.17 1t6r n SER 52 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1t6r n SER 53 N -1.08 0.27 -4.72 -3.46 7.64 -1.23 -5.02 113.62 106.03 1t6r n SER 53 Ca 0.06 -0.66 -0.42 0.00 1.01 0.00 0.00 58.87 58.86 1t6r n SER 53 Cb 0.04 0.23 -0.03 0.00 -1.01 0.00 0.00 64.21 63.44 1t6r n SER 53 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1t6r s VAL 54 N -0.23 4.00 0.00 0.44 1.01 -0.30 -3.74 120.40 121.58 1t6r s VAL 54 Ca 0.00 1.48 0.00 0.00 0.00 0.00 0.00 61.98 63.46 1t6r s VAL 54 Cb 0.00 -3.95 0.00 0.00 0.00 0.00 0.00 36.38 32.43 1t6r s VAL 54 CO 0.00 0.14 0.00 -0.24 0.00 0.00 0.00 175.10 175.00 1t6r n SER 55 N 3.65 0.03 -4.91 3.32 2.88 -1.26 -4.77 113.62 112.56 1t6r n SER 55 Ca 0.08 0.00 -0.31 0.00 -1.33 0.00 0.00 58.87 57.31 1t6r n SER 55 Cb 0.46 -0.01 -0.04 0.00 -0.75 0.00 0.00 64.21 63.87 1t6r n SER 55 CO 0.00 0.00 0.00 -0.47 -1.23 0.00 0.00 175.04 173.34 1t6r s TYR 56 N -2.00 3.50 -0.23 0.66 5.04 -1.26 -4.44 117.35 118.62 1t6r s TYR 56 Ca 0.00 0.35 -0.04 0.00 -2.44 0.00 0.00 57.07 54.94 1t6r s TYR 56 Cb 0.00 -1.84 0.12 0.00 0.35 0.00 0.00 41.96 40.59 1t6r s TYR 56 CO 0.00 0.53 0.38 1.41 -1.34 0.00 0.00 175.55 176.53 1t6r s MET 57 N -2.61 0.34 0.00 4.97 -2.45 -1.25 -1.35 119.30 116.94 1t6r s MET 57 Ca 0.37 0.64 0.00 0.00 -1.25 0.00 0.00 55.69 55.45 1t6r s MET 57 Cb -0.13 -0.30 0.00 0.00 1.25 0.00 0.00 34.83 35.65 1t6r s MET 57 CO 0.27 -0.55 0.00 -3.47 1.05 0.00 0.00 175.02 172.32 1t6r n ASP 58 N 5.37 0.00 0.00 1.11 2.03 0.09 -4.92 116.55 120.23 1t6r n ASP 58 Ca -0.05 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.26 1t6r n ASP 58 Cb 0.50 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.90 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 -0.14 -1.67 0.00 -1.26 -3.72 120.51 110.72 1t6r n ALA 60 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 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 0.99 0.61 0.00 0.00 -1.87 -3.33 103.07 99.47 1t6r h GLY 61 Ca 0.00 -0.91 -0.01 0.00 0.00 0.00 0.00 47.33 46.41 1t6r h GLY 61 CO 0.00 0.83 -0.09 1.41 0.00 0.00 0.00 176.54 178.69 1t6r h LEU 62 N 0.74 -0.20 -1.98 3.11 3.38 -1.93 -2.98 115.31 115.44 1t6r h LEU 62 Ca 0.09 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 57.78 1t6r h LEU 62 Cb 0.81 0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.61 1t6r h LEU 62 CO 0.07 0.19 -0.05 1.23 0.09 0.00 0.00 178.44 179.97 1t6r h GLY 63 N -0.63 0.00 0.85 0.83 0.00 -1.93 -0.96 103.07 101.22 1t6r h GLY 63 Ca -0.02 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.30 1t6r h GLY 63 CO 0.04 0.00 -0.16 -0.84 0.00 0.00 0.00 176.54 175.58 1t6r h THR 64 N 0.00 0.64 -0.95 4.70 2.02 -1.64 -0.74 112.91 116.94 1t6r h THR 64 Ca -0.00 0.00 0.17 0.00 0.77 0.00 0.00 66.41 67.35 1t6r h THR 64 Cb 0.09 0.64 -0.08 0.00 -1.74 0.00 0.00 68.15 67.06 1t6r h THR 64 CO 0.01 0.00 0.60 -0.07 0.37 0.00 0.00 175.52 176.43 1t6r h LEU 65 N -0.38 0.68 -0.89 2.58 3.38 -1.03 0.43 115.31 120.09 1t6r h LEU 65 Ca -0.01 0.06 -0.10 0.00 0.09 0.00 0.00 57.88 57.92 1t6r h LEU 65 Cb 0.34 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1t6r h LEU 65 CO -0.02 0.30 -0.49 0.58 0.09 0.00 0.00 178.44 178.90 1t6r h VAL 66 N 0.69 1.19 0.04 1.22 2.07 -1.21 0.19 116.25 120.45 1t6r h VAL 66 Ca 0.50 -1.79 0.01 0.00 0.82 0.00 0.00 66.70 66.24 1t6r h VAL 66 Cb 0.84 2.01 -0.01 0.00 -1.52 0.00 0.00 31.29 32.61 1t6r h VAL 66 CO -0.26 0.48 -0.07 0.58 0.02 0.00 0.00 177.57 178.33 1t6r h VAL 67 N 0.00 0.84 -0.78 2.57 2.07 0.49 -1.58 116.25 119.87 1t6r h VAL 67 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1t6r h VAL 67 Cb 0.97 0.84 -0.04 0.00 -1.52 0.00 0.00 31.29 31.54 1t6r h VAL 67 CO 0.06 0.00 0.49 0.40 0.02 0.00 0.00 177.57 178.55 1t6r h ILE 68 N -0.13 1.21 0.51 4.57 1.08 0.58 0.01 117.51 125.34 1t6r h ILE 68 Ca 0.01 -0.42 -0.02 0.00 -0.39 0.00 0.00 64.86 64.05 1t6r h ILE 68 Cb 0.14 0.09 -0.00 0.00 -3.07 0.00 0.00 36.82 33.98 1t6r h ILE 68 CO -0.04 0.21 -0.28 0.25 -0.69 0.00 0.00 178.15 177.60 1t6r h LEU 69 N 1.06 -0.70 -1.17 1.44 5.85 -0.66 -2.69 115.31 118.45 1t6r h LEU 69 Ca 0.28 0.03 0.07 0.00 0.84 0.00 0.00 57.88 59.11 1t6r h LEU 69 Cb -0.08 0.20 -0.06 0.00 0.37 0.00 0.00 40.66 41.08 1t6r h LEU 69 CO -0.06 -0.46 0.58 0.50 -0.34 0.00 0.00 178.44 178.66 1t6r h LYS 70 N -0.74 0.95 -0.28 1.25 3.64 -0.03 0.81 116.57 122.16 1t6r h LYS 70 Ca -0.06 -0.06 -0.04 0.00 -1.27 0.00 0.00 60.65 59.22 1t6r h LYS 70 Cb 0.59 -0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 32.18 1t6r h LYS 70 CO 0.09 0.63 -0.00 0.22 -2.27 0.00 0.00 179.45 178.11 1t6r h ASP 71 N 0.98 0.40 0.10 4.20 3.58 -0.99 0.29 116.42 124.98 1t6r h ASP 71 Ca 0.39 -0.07 -0.00 0.00 0.42 0.00 0.00 57.03 57.77 1t6r h ASP 71 Cb 0.25 -0.10 -0.00 0.00 1.72 0.00 0.00 39.33 41.20 1t6r h ASP 71 CO -0.15 0.47 -0.07 0.00 -2.88 0.00 0.00 179.24 176.60 1t6r h ALA 72 N 1.59 -0.16 -0.07 -0.78 0.00 -0.51 -0.28 119.26 119.04 1t6r h ALA 72 Ca 0.09 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.86 1t6r h ALA 72 Cb 0.28 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1t6r h ALA 72 CO 0.01 -0.60 -0.48 0.87 0.00 0.00 0.00 179.25 179.05 1t6r h LYS 73 N -0.17 0.18 -0.42 0.00 1.79 -0.79 0.11 116.57 117.27 1t6r h LYS 73 Ca -0.01 -0.10 0.03 0.00 -2.18 0.00 0.00 60.65 58.40 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 0.00 0.63 0.21 0.82 -1.08 0.00 0.00 179.45 180.03 1t6r h ILE 74 N 0.15 0.98 -0.00 1.86 2.04 -0.80 -2.43 117.51 119.31 1t6r h ILE 74 Ca 0.01 -0.15 0.00 0.00 1.00 0.00 0.00 64.86 65.72 1t6r h ILE 74 Cb 0.90 0.51 0.00 0.00 -0.74 0.00 0.00 36.82 37.49 1t6r h ILE 74 CO 0.07 0.08 -0.05 0.59 0.00 0.00 0.00 178.15 178.84 1t6r n ASN 75 N -4.91 0.25 -2.55 1.72 3.02 -0.13 -4.95 115.26 107.71 1t6r n ASN 75 Ca 0.02 -0.54 -0.08 0.00 -0.03 0.00 0.00 54.58 53.96 1t6r n ASN 75 Cb 0.10 -0.13 0.04 0.00 -0.61 0.00 0.00 39.78 39.18 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 1.22 -0.46 2.54 7.41 0.00 0.18 -5.05 105.19 111.03 1t6r n GLY 76 Ca 0.16 0.25 -0.09 0.00 0.00 0.00 0.00 46.02 46.35 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 -2.37 0.65 -2.95 1.61 2.85 -0.09 -4.97 118.16 112.90 1t6r n LYS 77 Ca -0.04 -1.81 -0.18 0.00 -1.05 0.00 0.00 58.31 55.23 1t6r n LYS 77 Cb 0.56 1.96 0.02 0.00 -0.65 0.00 0.00 35.03 36.91 1t6r n LYS 77 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 1t6r s GLU 78 N -2.34 2.78 -0.29 -1.58 0.41 0.02 -4.15 118.70 113.56 1t6r s GLU 78 Ca 0.16 -1.11 0.00 0.00 -0.41 0.00 0.00 54.97 53.62 1t6r s GLU 78 Cb -0.02 -2.70 0.18 0.00 -1.78 0.00 0.00 34.13 29.82 1t6r s GLU 78 CO 0.12 -0.35 0.56 0.12 -0.49 0.00 0.00 175.26 175.22 1t6r s PHE 79 N -2.44 -1.53 0.02 1.61 5.36 -1.26 -3.73 117.98 116.01 1t6r s PHE 79 Ca 0.55 1.44 0.03 0.00 -0.96 0.00 0.00 56.93 57.99 1t6r s PHE 79 Cb -0.10 0.43 -0.02 0.00 -0.34 0.00 0.00 43.02 42.99 1t6r s PHE 79 CO 0.34 -0.90 -0.09 0.42 -1.46 0.00 0.00 175.22 173.53 1t6r s ILE 80 N 2.80 0.69 0.16 3.12 1.01 -0.43 -4.56 121.20 123.99 1t6r s ILE 80 Ca 0.18 -0.71 0.10 0.00 0.00 0.00 0.00 60.65 60.21 1t6r s ILE 80 Cb -0.14 -0.65 -0.04 0.00 0.01 0.00 0.00 42.46 41.64 1t6r s ILE 80 CO -0.22 -0.04 -0.17 -0.76 0.00 0.00 0.00 174.94 173.75 1t6r s LEU 81 N -0.84 2.70 0.18 2.97 1.43 -1.24 -0.81 118.68 123.07 1t6r s LEU 81 Ca -0.01 -0.65 -0.11 0.00 -1.03 0.00 0.00 54.13 52.32 1t6r s LEU 81 Cb -0.06 -1.47 0.00 0.00 0.03 0.00 0.00 46.19 44.69 1t6r s LEU 81 CO 0.00 0.14 0.36 -0.55 0.23 0.00 0.00 176.35 176.53 1t6r s SER 82 N -2.48 -0.05 -1.33 2.29 0.15 0.10 -0.53 113.70 111.85 1t6r s SER 82 Ca 0.21 -0.76 -0.04 0.00 0.70 0.00 0.00 55.95 56.05 1t6r s SER 82 Cb -0.09 0.48 0.02 0.00 -1.71 0.00 0.00 66.02 64.71 1t6r s SER 82 CO 0.11 -0.95 0.93 -1.20 1.20 0.00 0.00 173.24 173.34 1t6r n SER 83 N -0.25 -3.08 -4.56 5.45 7.64 -1.14 -0.93 113.62 116.75 1t6r n SER 83 Ca -0.08 -0.70 -0.38 0.00 1.01 0.00 0.00 58.87 58.71 1t6r n SER 83 Cb 0.63 -4.52 -0.03 0.00 -1.01 0.00 0.00 64.21 59.28 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 -6.82 3.33 0.99 -3.43 1.02 -1.26 -3.32 118.68 109.19 1t6r s LEU 84 Ca 0.24 0.58 -0.11 0.00 0.02 0.00 0.00 54.13 54.86 1t6r s LEU 84 Cb -0.11 -2.63 0.19 0.00 0.02 0.00 0.00 46.19 43.65 1t6r s LEU 84 CO 0.78 -2.40 1.11 0.29 0.02 0.00 0.00 176.35 176.14 1t6r n LYS 85 N 9.08 -1.00 -0.05 1.70 5.02 -1.26 -4.51 118.16 127.13 1t6r n LYS 85 Ca 0.24 -0.24 -0.11 0.00 -2.02 0.00 0.00 58.31 56.18 1t6r n LYS 85 Cb 0.52 -2.32 -0.05 0.00 -0.02 0.00 0.00 35.03 33.16 1t6r n LYS 85 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 1t6r h GLU 86 N -2.12 -0.39 0.71 1.97 4.81 -1.96 0.27 114.58 117.87 1t6r h GLU 86 Ca -0.48 0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 58.74 1t6r h GLU 86 Cb 1.29 0.09 0.01 0.00 0.63 0.00 0.00 28.75 30.76 1t6r h GLU 86 CO 0.43 -0.26 -0.34 0.77 -0.73 0.00 0.00 179.01 178.88 1t6r h SER 87 N -0.40 -0.80 0.03 1.04 0.02 -1.92 -3.13 113.55 108.39 1t6r h SER 87 Ca 0.11 -0.00 0.01 0.00 -0.84 0.00 0.00 61.79 61.07 1t6r h SER 87 Cb 0.59 0.21 -0.02 0.00 0.14 0.00 0.00 62.40 63.32 1t6r h SER 87 CO -0.47 -0.48 -0.11 0.40 -1.14 0.00 0.00 176.83 175.03 1t6r h ILE 88 N -1.11 0.72 -0.89 3.27 1.08 -1.71 -1.68 117.51 117.19 1t6r h ILE 88 Ca -0.10 0.00 0.12 0.00 -0.39 0.00 0.00 64.86 64.49 1t6r h ILE 88 Cb 0.76 0.72 -0.13 0.00 -3.07 0.00 0.00 36.82 35.10 1t6r h ILE 88 CO 0.16 0.00 -0.42 -0.24 -0.69 0.00 0.00 178.15 176.96 1t6r n SER 89 N -5.24 -0.72 -0.12 1.72 2.88 0.92 0.35 113.62 113.41 1t6r n SER 89 Ca -0.06 1.57 -0.05 0.00 -1.33 0.00 0.00 58.87 59.00 1t6r n SER 89 Cb 0.16 -0.30 0.03 0.00 -0.75 0.00 0.00 64.21 63.35 1t6r n SER 89 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 1t6r h ARG 90 N 0.00 0.26 -0.08 -1.46 2.47 -1.32 -0.82 114.38 113.43 1t6r h ARG 90 Ca 0.25 -0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.95 1t6r h ARG 90 Cb 0.47 -0.06 0.00 0.00 -1.65 0.00 0.00 29.97 28.73 1t6r h ARG 90 CO -0.87 0.17 0.00 -0.89 0.56 0.00 0.00 179.97 178.94 1t6r n ILE 91 N -5.03 0.00 -0.07 2.04 5.41 0.16 -0.24 119.36 121.62 1t6r n ILE 91 Ca 0.02 0.00 -0.10 0.00 1.00 0.00 0.00 62.75 63.68 1t6r n ILE 91 Cb 0.15 -0.24 -0.07 0.00 -0.71 0.00 0.00 39.64 38.78 1t6r n ILE 91 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 1t6r n LEU 92 N -0.39 2.84 0.24 1.39 7.99 -0.36 -4.61 117.00 124.10 1t6r n LEU 92 Ca 0.00 -0.07 0.11 0.00 -0.01 0.00 0.00 56.01 56.04 1t6r n LEU 92 Cb 0.02 -0.45 0.56 0.00 -0.11 0.00 0.00 43.42 43.44 1t6r n LEU 92 CO 0.00 0.71 0.87 0.11 -1.51 0.00 0.00 177.39 177.57 1t6r h LYS 93 N 0.00 0.00 -0.69 3.23 6.56 -0.68 -1.33 116.57 123.65 1t6r h LYS 93 Ca -0.31 0.00 0.12 0.00 -1.06 0.00 0.00 60.65 59.40 1t6r h LYS 93 Cb 1.50 0.00 -0.04 0.00 -0.57 0.00 0.00 32.23 33.11 1t6r h LYS 93 CO -0.05 0.18 0.46 1.37 -2.06 0.00 0.00 179.45 179.35 1t6r h LEU 94 N 0.00 0.41 -3.00 2.94 -0.00 -0.87 -0.36 115.31 114.44 1t6r h LEU 94 Ca -0.00 0.02 -0.00 0.00 -0.00 0.00 0.00 57.88 57.89 1t6r h LEU 94 Cb 0.61 -0.07 -0.00 0.00 -0.00 0.00 0.00 40.66 41.20 1t6r h LEU 94 CO 0.02 0.23 -0.07 0.41 -0.00 0.00 0.00 178.44 179.03 1t6r n THR 95 N -4.48 1.93 -3.77 0.15 -1.04 -1.25 -4.97 114.28 100.85 1t6r n THR 95 Ca 0.12 -2.40 -0.27 0.00 -2.04 0.00 0.00 64.05 59.46 1t6r n THR 95 Cb 0.44 -0.24 0.05 0.00 -1.82 0.00 0.00 70.33 68.76 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 -1.39 -2.50 0.17 -1.42 8.25 -0.14 -4.89 115.22 113.29 1t6r n HIS 96 Ca 0.16 0.95 0.05 0.00 -0.26 0.00 0.00 57.72 58.62 1t6r n HIS 96 Cb 0.65 -4.44 0.09 0.00 1.12 0.00 0.00 29.99 27.41 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 -2.31 0.00 0.00 2.41 3.38 -1.47 -3.22 115.31 114.10 1t6r h LEU 97 Ca -0.58 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.39 1t6r h LEU 97 Cb 1.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.12 1t6r h LEU 97 CO 0.62 0.36 0.00 -0.90 0.09 0.00 0.00 178.44 178.61 1t6r n ASP 98 N -3.21 0.00 -0.29 -0.43 5.75 -1.19 -0.89 116.55 116.29 1t6r n ASP 98 Ca 0.02 0.18 0.03 0.00 -0.01 0.00 0.00 54.79 55.01 1t6r n ASP 98 Cb 0.66 -0.26 0.04 0.00 -1.03 0.00 0.00 41.12 40.53 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 -1.26 0.46 -0.08 0.11 2.85 -1.22 -3.49 118.16 115.54 1t6r n LYS 99 Ca 0.03 -1.07 -0.08 0.00 -1.05 0.00 0.00 58.31 56.14 1t6r n LYS 99 Cb 0.04 -1.14 -0.13 0.00 -0.65 0.00 0.00 35.03 33.16 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 0.33 1.12 -1.10 0.58 5.41 -0.07 -4.64 119.36 121.00 1t6r n ILE 100 Ca 0.04 -0.69 0.04 0.00 1.00 0.00 0.00 62.75 63.15 1t6r n ILE 100 Cb 0.20 -0.57 0.06 0.00 -0.71 0.00 0.00 39.64 38.63 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 -2.60 0.00 -2.19 1.39 3.72 -0.59 -5.06 117.46 112.13 1t6r n PHE 101 Ca -0.27 -0.53 0.00 0.00 -0.05 0.00 0.00 57.45 56.60 1t6r n PHE 101 Cb 1.03 -0.09 0.00 0.00 -0.94 0.00 0.00 39.48 39.48 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 -0.72 0.00 -3.57 -1.08 4.81 -1.23 -3.62 118.16 112.75 1t6r n LYS 102 Ca 0.07 0.00 -0.07 0.00 -0.87 0.00 0.00 58.31 57.44 1t6r n LYS 102 Cb 0.57 0.00 -0.04 0.00 0.02 0.00 0.00 35.03 35.58 1t6r n LYS 102 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 1t6r s ILE 103 N 0.00 0.00 -0.10 3.15 1.01 -1.25 -4.26 121.20 119.75 1t6r s ILE 103 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 60.65 60.62 1t6r s ILE 103 Cb 0.00 -1.00 0.05 0.00 0.01 0.00 0.00 42.46 41.52 1t6r s ILE 103 CO 0.00 0.00 0.15 0.42 0.00 0.00 0.00 174.94 175.51 1t6r s THR 104 N -1.84 -0.23 0.43 2.92 -4.23 0.31 -4.94 115.64 108.07 1t6r s THR 104 Ca 0.04 0.28 0.14 0.00 -1.18 0.00 0.00 61.69 60.97 1t6r s THR 104 Cb -0.01 -0.33 0.33 0.00 1.34 0.00 0.00 72.50 73.83 1t6r s THR 104 CO -0.04 0.08 1.98 -0.78 -0.54 0.00 0.00 174.62 175.32 1t6r h ASP 105 N 8.37 0.37 -4.75 3.99 3.58 -1.95 -3.01 116.42 123.02 1t6r h ASP 105 Ca -0.13 0.01 -0.24 0.00 0.42 0.00 0.00 57.03 57.09 1t6r h ASP 105 Cb 1.12 -0.07 -0.15 0.00 1.72 0.00 0.00 39.33 41.96 1t6r h ASP 105 CO 0.17 0.22 -0.67 0.42 -2.88 0.00 0.00 179.24 176.50 1t6r s THR 106 N -5.39 0.55 0.60 2.25 -4.23 -1.26 -3.21 115.64 104.94 1t6r s THR 106 Ca -0.08 -1.94 0.30 0.00 -1.18 0.00 0.00 61.69 58.80 1t6r s THR 106 Cb 0.20 -1.93 0.36 0.00 1.34 0.00 0.00 72.50 72.47 1t6r s THR 106 CO 0.75 -0.63 2.17 1.62 -0.54 0.00 0.00 174.62 177.99 1t6r h VAL 107 N 2.84 0.43 0.00 2.29 3.04 -1.98 0.47 116.25 123.34 1t6r h VAL 107 Ca -0.36 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.33 1t6r h VAL 107 Cb 1.19 0.90 0.00 0.00 -2.01 0.00 0.00 31.29 31.36 1t6r h VAL 107 CO 0.63 0.00 0.00 -0.33 -1.01 0.00 0.00 177.57 176.86 1t6r h GLU 108 N 0.00 0.00 -0.00 4.17 4.39 -1.96 -2.70 114.58 118.48 1t6r h GLU 108 Ca 0.05 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.75 1t6r h GLU 108 Cb 0.30 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.95 1t6r h GLU 108 CO -0.00 0.00 -0.05 0.39 -1.16 0.00 0.00 179.01 178.19 1t6r n GLU 109 N -3.06 0.97 0.00 2.33 -0.58 0.16 -5.15 120.64 115.31 1t6r n GLU 109 Ca 0.00 -0.31 0.12 0.00 -0.42 0.00 0.00 57.16 56.56 1t6r n GLU 109 Cb 0.28 -1.49 0.11 0.00 -0.57 0.00 0.00 31.44 29.77 1t6r n GLU 109 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65