#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 -1.60 -0.07 6.12 5.15 -1.26 -4.92 115.26 118.68 1t6r n ASN 2 Ca 0.00 -0.86 -0.11 0.00 -0.60 0.00 0.00 54.58 53.01 1t6r n ASN 2 Cb 0.00 -3.91 -0.08 0.00 -0.53 0.00 0.00 39.78 35.26 1t6r n ASN 2 CO 0.00 0.00 0.00 0.78 1.40 0.00 0.00 177.26 179.44 1t6r h ASN 3 N -1.83 0.00 -2.86 1.20 4.21 -1.98 -3.45 115.58 110.87 1t6r h ASN 3 Ca -0.62 -0.51 -0.52 0.00 1.21 0.00 0.00 56.30 55.86 1t6r h ASN 3 Cb 1.36 0.00 0.05 0.00 -1.12 0.00 0.00 38.32 38.61 1t6r h ASN 3 CO 0.56 0.98 0.89 -0.22 -1.29 0.00 0.00 177.43 178.34 1t6r s LEU 4 N -8.21 4.37 0.26 1.61 1.98 -1.26 -4.69 118.68 112.75 1t6r s LEU 4 Ca -0.17 2.66 0.01 0.00 -2.89 0.00 0.00 54.13 53.75 1t6r s LEU 4 Cb 0.01 -3.60 -0.05 0.00 0.66 0.00 0.00 46.19 43.21 1t6r s LEU 4 CO 0.44 -0.84 0.10 -0.75 -1.89 0.00 0.00 176.35 173.42 1t6r s LYS 5 N 0.99 1.43 -0.04 1.98 2.47 0.55 -5.01 119.74 122.11 1t6r s LYS 5 Ca 0.70 -1.78 -0.01 0.00 -1.56 0.00 0.00 55.97 53.31 1t6r s LYS 5 Cb -0.44 -0.24 0.03 0.00 -1.46 0.00 0.00 37.83 35.71 1t6r s LYS 5 CO 0.33 -0.31 0.08 -0.51 0.16 0.00 0.00 175.35 175.10 1t6r s LEU 6 N -3.32 0.95 -0.76 5.43 1.43 -1.26 -0.96 118.68 120.19 1t6r s LEU 6 Ca 0.38 0.16 0.03 0.00 -1.03 0.00 0.00 54.13 53.67 1t6r s LEU 6 Cb 0.08 0.15 0.29 0.00 0.03 0.00 0.00 46.19 46.73 1t6r s LEU 6 CO 0.14 -0.13 1.08 -0.67 0.23 0.00 0.00 176.35 177.00 1t6r n ASP 7 N 4.13 4.94 -4.76 2.29 2.03 -0.07 -4.95 116.55 120.16 1t6r n ASP 7 Ca -0.26 -3.53 -0.40 0.00 0.52 0.00 0.00 54.79 51.12 1t6r n ASP 7 Cb 0.51 -0.83 -0.03 0.00 -0.72 0.00 0.00 41.12 40.05 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 -3.25 3.14 -0.05 5.18 1.01 -1.26 -2.47 121.20 123.50 1t6r s ILE 8 Ca 0.40 1.12 -0.08 0.00 0.00 0.00 0.00 60.65 62.10 1t6r s ILE 8 Cb 0.16 -3.70 0.02 0.00 0.01 0.00 0.00 42.46 38.95 1t6r s ILE 8 CO -0.03 0.25 0.20 -0.69 0.00 0.00 0.00 174.94 174.66 1t6r s VAL 9 N -1.19 0.02 0.00 2.92 1.01 0.40 -4.97 120.40 118.59 1t6r s VAL 9 Ca 0.48 -0.20 0.00 0.00 0.00 0.00 0.00 61.98 62.25 1t6r s VAL 9 Cb -0.35 -0.35 0.00 0.00 0.00 0.00 0.00 36.38 35.68 1t6r s VAL 9 CO 0.45 -0.11 0.07 -0.62 0.00 0.00 0.00 175.10 174.89 1t6r n GLU 10 N 2.47 1.93 0.00 2.72 1.02 -1.25 -0.77 120.64 126.76 1t6r n GLU 10 Ca -0.16 -0.07 0.10 0.00 -0.02 0.00 0.00 57.16 57.01 1t6r n GLU 10 Cb 0.58 -0.37 0.57 0.00 -0.02 0.00 0.00 31.44 32.20 1t6r n GLU 10 CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25 1t6r n GLN 11 N -0.29 0.71 -0.51 3.49 7.27 -1.26 -1.80 117.38 124.99 1t6r n GLN 11 Ca 0.00 0.00 0.06 0.00 0.07 0.00 0.00 57.00 57.13 1t6r n GLN 11 Cb 0.04 -1.43 0.11 0.00 2.41 0.00 0.00 30.24 31.38 1t6r n GLN 11 CO 0.00 0.00 0.00 -3.47 0.07 0.00 0.00 177.06 173.66 1t6r n ASP 12 N -0.93 1.51 -0.13 1.69 2.03 -1.26 -4.99 116.55 114.46 1t6r n ASP 12 Ca 0.15 -2.93 -0.02 0.00 0.52 0.00 0.00 54.79 52.50 1t6r n ASP 12 Cb 0.07 -0.39 -0.01 0.00 -0.72 0.00 0.00 41.12 40.07 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 -0.78 -3.24 -3.72 1.67 8.00 -0.74 -5.03 116.55 112.70 1t6r n ASP 13 Ca 0.12 0.04 -0.16 0.00 0.71 0.00 0.00 54.79 55.51 1t6r n ASP 13 Cb 0.74 -0.89 -0.16 0.00 -0.02 0.00 0.00 41.12 40.79 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 -1.95 0.01 -1.27 -1.24 2.20 -1.24 -4.83 119.74 111.41 1t6r s LYS 14 Ca 0.00 0.35 -0.19 0.00 -0.36 0.00 0.00 55.97 55.77 1t6r s LYS 14 Cb 0.00 -0.28 0.06 0.00 -1.51 0.00 0.00 37.83 36.09 1t6r s LYS 14 CO 0.00 -0.23 1.73 0.00 -0.36 0.00 0.00 175.35 176.50 1t6r s ALA 15 N 1.55 3.15 -0.04 3.13 0.00 0.65 -3.97 121.76 126.23 1t6r s ALA 15 Ca -0.04 -2.80 -0.21 0.00 0.00 0.00 0.00 51.96 48.91 1t6r s ALA 15 Cb -0.12 -4.64 -0.05 0.00 0.00 0.00 0.00 23.12 18.31 1t6r s ALA 15 CO -0.04 -3.48 0.62 0.42 0.00 0.00 0.00 175.76 173.27 1t6r s ILE 16 N 4.84 4.98 -0.25 0.00 1.01 0.05 -1.12 121.20 130.71 1t6r s ILE 16 Ca 0.55 1.28 -0.03 0.00 0.00 0.00 0.00 60.65 62.44 1t6r s ILE 16 Cb 0.03 -3.95 0.08 0.00 0.01 0.00 0.00 42.46 38.63 1t6r s ILE 16 CO 0.07 0.35 0.09 0.54 0.00 0.00 0.00 174.94 176.00 1t6r s VAL 17 N 0.23 0.28 -0.59 2.92 0.11 -0.53 -0.45 120.40 122.37 1t6r s VAL 17 Ca 0.32 -0.76 -0.28 0.00 -2.93 0.00 0.00 61.98 58.34 1t6r s VAL 17 Cb -0.18 -1.08 0.02 0.00 -1.53 0.00 0.00 36.38 33.61 1t6r s VAL 17 CO 0.17 -0.52 1.38 -0.13 -3.33 0.00 0.00 175.10 172.66 1t6r s ARG 18 N 1.94 3.29 0.30 1.54 0.52 -1.03 -1.20 118.95 124.31 1t6r s ARG 18 Ca 0.06 0.32 -0.30 0.00 -0.52 0.00 0.00 55.73 55.29 1t6r s ARG 18 Cb -0.17 -4.13 -0.11 0.00 0.52 0.00 0.00 34.95 31.07 1t6r s ARG 18 CO -0.23 -1.96 1.53 0.08 0.02 0.00 0.00 175.30 174.74 1t6r s VAL 19 N 5.96 2.21 -0.41 3.52 1.01 -0.75 -0.89 120.40 131.05 1t6r s VAL 19 Ca 0.49 0.19 0.03 0.00 0.00 0.00 0.00 61.98 62.69 1t6r s VAL 19 Cb -0.10 -3.12 0.11 0.00 0.00 0.00 0.00 36.38 33.28 1t6r s VAL 19 CO 0.23 0.03 0.15 -1.10 0.00 0.00 0.00 175.10 174.41 1t6r s GLN 20 N -0.85 1.53 0.00 2.72 -0.21 -0.13 -3.77 119.66 118.94 1t6r s GLN 20 Ca 0.60 -2.04 0.00 0.00 0.02 0.00 0.00 55.36 53.93 1t6r s GLN 20 Cb -0.46 -3.00 0.00 0.00 1.00 0.00 0.00 33.01 30.55 1t6r s GLN 20 CO 0.50 -1.03 0.00 0.41 -2.12 0.00 0.00 175.29 173.06 1t6r n GLY 21 N 3.87 3.24 3.98 3.09 0.00 -1.26 -0.33 105.19 117.77 1t6r n GLY 21 Ca 0.04 -1.23 -0.23 0.00 0.00 0.00 0.00 46.02 44.60 1t6r n GLY 21 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1t6r s ASP 22 N 0.00 4.83 -0.33 1.61 -4.77 -1.26 -3.31 116.67 113.44 1t6r s ASP 22 Ca 0.00 -0.14 -0.01 0.00 -3.30 0.00 0.00 52.55 49.10 1t6r s ASP 22 Cb 0.00 -0.50 0.11 0.00 -1.09 0.00 0.00 42.92 41.44 1t6r s ASP 22 CO 0.00 -1.50 0.15 -0.63 0.70 0.00 0.00 175.17 173.90 1t6r s ILE 23 N -2.97 0.50 0.00 2.11 1.01 -0.58 -4.75 121.20 116.52 1t6r s ILE 23 Ca 0.61 -1.44 0.00 0.00 0.00 0.00 0.00 60.65 59.82 1t6r s ILE 23 Cb -0.08 -1.38 0.00 0.00 0.01 0.00 0.00 42.46 41.01 1t6r s ILE 23 CO 0.41 -0.80 0.00 -0.90 0.00 0.00 0.00 174.94 173.66 1t6r n ASP 24 N 4.60 1.92 0.00 3.58 5.75 -1.26 -1.02 116.55 130.11 1t6r n ASP 24 Ca 0.02 -0.68 0.00 0.00 -0.01 0.00 0.00 54.79 54.12 1t6r n ASP 24 Cb 0.40 0.00 0.02 0.00 -1.03 0.00 0.00 41.12 40.51 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 -3.00 1.05 0.47 2.12 0.00 -1.26 -0.25 120.51 119.65 1t6r n ALA 25 Ca 0.00 -0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.56 1t6r n ALA 25 Cb 0.00 -1.02 0.22 0.00 0.00 0.00 0.00 19.45 18.66 1t6r n ALA 25 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 1t6r h TYR 26 N 0.00 0.00 0.00 0.00 0.05 -1.97 -3.38 116.97 111.68 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 0.02 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.76 1t6r h TYR 26 CO 0.00 0.00 -0.35 0.09 -1.05 0.00 0.00 178.16 176.85 1t6r n ASN 27 N -2.39 1.35 -0.25 3.88 3.02 -0.89 -4.70 115.26 115.29 1t6r n ASN 27 Ca 0.04 0.00 0.14 0.00 -0.03 0.00 0.00 54.58 54.73 1t6r n ASN 27 Cb 0.46 0.00 0.43 0.00 -0.61 0.00 0.00 39.78 40.07 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 0.55 -1.00 6.41 4.64 -0.86 0.26 113.55 123.55 1t6r h SER 28 Ca 0.00 0.04 0.26 0.00 -0.47 0.00 0.00 61.79 61.62 1t6r h SER 28 Cb 0.35 -0.07 -0.07 0.00 -0.31 0.00 0.00 62.40 62.30 1t6r h SER 28 CO 0.00 0.26 0.67 0.28 -0.87 0.00 0.00 176.83 177.18 1t6r h SER 29 N 0.57 0.28 0.00 4.97 0.02 -1.76 -0.91 113.55 116.73 1t6r h SER 29 Ca 0.45 0.04 -0.15 0.00 -0.84 0.00 0.00 61.79 61.29 1t6r h SER 29 Cb 0.87 -0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.38 1t6r h SER 29 CO -0.19 0.08 -1.33 -0.62 -1.14 0.00 0.00 176.83 173.62 1t6r n GLU 30 N -4.45 0.24 -0.40 3.45 1.02 0.37 -4.02 120.64 116.85 1t6r n GLU 30 Ca 0.22 0.11 0.33 0.00 -0.02 0.00 0.00 57.16 57.79 1t6r n GLU 30 Cb 0.91 -0.91 0.60 0.00 -0.02 0.00 0.00 31.44 32.01 1t6r n GLU 30 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1t6r h LEU 31 N -0.43 0.32 0.60 -4.62 6.46 -0.73 -0.70 115.31 116.22 1t6r h LEU 31 Ca -0.22 0.16 -0.03 0.00 -0.12 0.00 0.00 57.88 57.67 1t6r h LEU 31 Cb 1.04 0.14 0.01 0.00 -0.73 0.00 0.00 40.66 41.11 1t6r h LEU 31 CO -0.13 -0.19 -0.29 0.50 -0.62 0.00 0.00 178.44 177.71 1t6r h LYS 32 N 0.14 -0.77 0.00 1.25 3.64 -1.34 -1.49 116.57 118.00 1t6r h LYS 32 Ca 0.79 0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 60.21 1t6r h LYS 32 Cb 2.27 0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 34.27 1t6r h LYS 32 CO -0.50 -0.46 -0.07 1.05 -2.27 0.00 0.00 179.45 177.20 1t6r h GLU 33 N -1.03 0.00 0.13 1.90 4.11 -1.31 0.78 114.58 119.16 1t6r h GLU 33 Ca -0.08 0.00 -0.33 0.00 0.07 0.00 0.00 59.36 59.02 1t6r h GLU 33 Cb 0.67 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.91 1t6r h GLU 33 CO 0.13 0.07 -1.71 1.96 0.07 0.00 0.00 179.01 179.54 1t6r h GLN 34 N 0.00 0.27 -0.35 1.06 4.20 -1.34 -2.25 115.11 116.70 1t6r h GLN 34 Ca -0.00 -0.46 -0.12 0.00 0.06 0.00 0.00 58.65 58.13 1t6r h GLN 34 Cb 0.66 0.17 -0.01 0.00 0.30 0.00 0.00 27.48 28.60 1t6r h GLN 34 CO 0.01 1.13 -0.27 -0.07 -0.67 0.00 0.00 178.83 178.96 1t6r h LEU 35 N 0.07 0.73 -1.38 1.46 3.38 -0.96 0.11 115.31 118.72 1t6r h LEU 35 Ca -0.31 -0.28 -0.05 0.00 0.09 0.00 0.00 57.88 57.33 1t6r h LEU 35 Cb 2.04 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 42.58 1t6r h LEU 35 CO 0.14 0.97 -0.10 0.03 0.09 0.00 0.00 178.44 179.57 1t6r h ARG 36 N 0.61 0.29 0.35 1.13 3.08 -0.90 -0.92 114.38 118.02 1t6r h ARG 36 Ca 0.08 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 60.05 1t6r h ARG 36 Cb 0.78 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.79 1t6r h ARG 36 CO 0.06 0.40 -0.17 -0.97 -1.07 0.00 0.00 179.97 178.22 1t6r h ASN 37 N 0.28 -0.40 -0.63 7.04 -0.73 -0.96 -3.28 115.58 116.89 1t6r h ASN 37 Ca 0.06 -0.07 0.13 0.00 1.87 0.00 0.00 56.30 58.29 1t6r h ASN 37 Cb 0.35 0.10 -0.11 0.00 0.27 0.00 0.00 38.32 38.94 1t6r h ASN 37 CO 0.02 -0.17 0.01 0.15 -0.37 0.00 0.00 177.43 177.07 1t6r h PHE 38 N -0.62 -0.02 -0.68 0.67 3.57 -0.36 0.23 116.94 119.73 1t6r h PHE 38 Ca -0.05 0.05 0.08 0.00 3.53 0.00 0.00 57.97 61.57 1t6r h PHE 38 Cb 0.45 0.11 -0.04 0.00 2.79 0.00 0.00 35.95 39.25 1t6r h PHE 38 CO -0.02 -0.16 0.45 0.82 -2.23 0.00 0.00 178.31 177.17 1t6r h ILE 39 N 0.13 0.97 0.15 1.41 1.08 -1.24 0.49 117.51 120.50 1t6r h ILE 39 Ca 0.33 -0.22 -0.21 0.00 -0.39 0.00 0.00 64.86 64.38 1t6r h ILE 39 Cb 0.54 0.29 0.02 0.00 -3.07 0.00 0.00 36.82 34.60 1t6r h ILE 39 CO -0.53 0.12 -0.92 -1.28 -0.69 0.00 0.00 178.15 174.84 1t6r h SER 40 N 0.63 0.50 -0.14 1.72 0.87 -1.08 -3.36 113.55 112.69 1t6r h SER 40 Ca 0.30 -0.94 -0.13 0.00 -1.23 0.00 0.00 61.79 59.79 1t6r h SER 40 Cb 0.36 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.15 1t6r h SER 40 CO -0.10 1.44 -0.36 0.71 -0.53 0.00 0.00 176.83 177.99 1t6r h THR 41 N -0.32 1.29 -3.12 2.23 1.35 -0.59 -3.44 112.91 110.30 1t6r h THR 41 Ca -0.16 -1.51 -0.54 0.00 -0.55 0.00 0.00 66.41 63.64 1t6r h THR 41 Cb 1.70 1.45 -0.01 0.00 -1.73 0.00 0.00 68.15 69.56 1t6r h THR 41 CO 0.16 0.49 0.65 0.28 -0.25 0.00 0.00 175.52 176.84 1t6r s THR 42 N -4.35 4.16 -0.75 6.82 -1.32 0.12 -4.92 115.64 115.39 1t6r s THR 42 Ca -0.08 1.51 0.24 0.00 -1.21 0.00 0.00 61.69 62.16 1t6r s THR 42 Cb 0.12 -3.97 0.03 0.00 -1.51 0.00 0.00 72.50 67.17 1t6r s THR 42 CO 0.83 0.04 1.35 -0.24 -2.21 0.00 0.00 174.62 174.39 1t6r n SER 43 N 4.72 0.61 -4.72 8.08 2.88 -1.26 -4.84 113.62 119.09 1t6r n SER 43 Ca 0.10 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.23 1t6r n SER 43 Cb 0.46 0.21 -0.04 0.00 -0.75 0.00 0.00 64.21 64.09 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 -3.12 4.60 0.50 -1.46 -0.14 -1.26 -4.91 119.74 113.96 1t6r s LYS 44 Ca 0.08 1.47 0.33 0.00 -1.36 0.00 0.00 55.97 56.49 1t6r s LYS 44 Cb 0.15 -3.41 1.45 0.00 -1.68 0.00 0.00 37.83 34.34 1t6r s LYS 44 CO 0.71 0.04 1.97 0.87 -0.76 0.00 0.00 175.35 178.19 1t6r h LYS 45 N 6.26 0.00 -4.33 1.68 6.56 -1.92 -3.41 116.57 121.41 1t6r h LYS 45 Ca -0.42 0.00 -0.73 0.00 -1.06 0.00 0.00 60.65 58.44 1t6r h LYS 45 Cb 1.22 0.00 -0.25 0.00 -0.57 0.00 0.00 32.23 32.63 1t6r h LYS 45 CO 0.74 0.00 -0.37 -1.59 -2.06 0.00 0.00 179.45 176.17 1t6r s LYS 46 N -3.67 2.82 -0.17 3.15 0.00 -1.26 -0.96 119.74 119.65 1t6r s LYS 46 Ca 0.01 -1.45 -0.10 0.00 0.00 0.00 0.00 55.97 54.42 1t6r s LYS 46 Cb 0.09 -4.02 -0.05 0.00 0.00 0.00 0.00 37.83 33.86 1t6r s LYS 46 CO 0.47 -1.05 0.16 0.42 0.00 0.00 0.00 175.35 175.35 1t6r s ILE 47 N 1.54 5.42 -0.36 3.79 1.09 -1.26 -0.25 121.20 131.17 1t6r s ILE 47 Ca 0.04 0.25 0.01 0.00 -1.10 0.00 0.00 60.65 59.85 1t6r s ILE 47 Cb -0.25 -3.48 0.11 0.00 -1.06 0.00 0.00 42.46 37.79 1t6r s ILE 47 CO 0.04 0.49 0.14 -0.69 -0.10 0.00 0.00 174.94 174.83 1t6r s VAL 48 N -0.06 1.15 -0.98 2.92 1.01 -0.28 -1.70 120.40 122.47 1t6r s VAL 48 Ca 0.11 -1.88 -0.23 0.00 0.00 0.00 0.00 61.98 59.98 1t6r s VAL 48 Cb -0.12 -1.85 0.06 0.00 0.00 0.00 0.00 36.38 34.48 1t6r s VAL 48 CO 0.01 -0.75 1.38 -0.22 0.00 0.00 0.00 175.10 175.52 1t6r s LEU 49 N 1.11 3.72 -0.57 3.92 2.96 -0.34 -1.45 118.68 128.04 1t6r s LEU 49 Ca 0.13 -1.47 -0.28 0.00 -0.22 0.00 0.00 54.13 52.29 1t6r s LEU 49 Cb -0.20 -2.54 0.03 0.00 0.50 0.00 0.00 46.19 43.97 1t6r s LEU 49 CO -0.14 -1.46 1.24 -1.81 -1.32 0.00 0.00 176.35 172.85 1t6r s ASP 50 N 4.68 6.39 -0.08 3.68 1.11 -0.34 -1.18 116.67 130.93 1t6r s ASP 50 Ca 0.43 0.17 0.04 0.00 0.18 0.00 0.00 52.55 53.37 1t6r s ASP 50 Cb -0.01 -2.55 0.23 0.00 1.07 0.00 0.00 42.92 41.66 1t6r s ASP 50 CO -0.08 -1.52 0.94 0.18 1.18 0.00 0.00 175.17 175.87 1t6r n LEU 51 N 8.65 2.71 0.00 1.23 7.99 0.10 -1.82 117.00 135.86 1t6r n LEU 51 Ca 0.10 -1.38 0.00 0.00 -0.01 0.00 0.00 56.01 54.72 1t6r n LEU 51 Cb 0.49 -0.56 0.00 0.00 -0.11 0.00 0.00 43.42 43.24 1t6r n LEU 51 CO 0.71 0.42 0.39 -1.54 -1.51 0.00 0.00 177.39 175.87 1t6r n SER 52 N 0.15 0.00 0.00 -1.43 3.41 -1.22 -1.00 113.62 113.52 1t6r n SER 52 Ca 0.10 0.29 0.00 0.00 -0.26 0.00 0.00 58.87 58.99 1t6r n SER 52 Cb 0.59 -0.29 0.00 0.00 -0.26 0.00 0.00 64.21 64.25 1t6r n SER 52 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1t6r n SER 53 N -1.28 0.31 -4.82 4.04 2.88 -1.25 -5.03 113.62 108.47 1t6r n SER 53 Ca 0.00 -0.46 -0.33 0.00 -1.33 0.00 0.00 58.87 56.75 1t6r n SER 53 Cb 0.01 0.98 -0.07 0.00 -0.75 0.00 0.00 64.21 64.38 1t6r n SER 53 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1t6r s VAL 54 N -1.04 4.48 0.00 2.46 1.01 -0.17 -4.04 120.40 123.09 1t6r s VAL 54 Ca 0.00 1.34 0.00 0.00 0.00 0.00 0.00 61.98 63.32 1t6r s VAL 54 Cb 0.00 -3.66 0.00 0.00 0.00 0.00 0.00 36.38 32.72 1t6r s VAL 54 CO 0.00 -0.19 0.00 -0.24 0.00 0.00 0.00 175.10 174.67 1t6r n SER 55 N -0.33 0.00 -4.83 3.32 2.88 -1.26 -4.76 113.62 108.63 1t6r n SER 55 Ca 0.05 0.00 -0.37 0.00 -1.33 0.00 0.00 58.87 57.21 1t6r n SER 55 Cb 0.53 0.04 -0.06 0.00 -0.75 0.00 0.00 64.21 63.97 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 -1.66 3.62 -0.19 0.66 6.14 -1.26 -4.07 117.35 120.59 1t6r s TYR 56 Ca 0.00 0.74 -0.04 0.00 0.64 0.00 0.00 57.07 58.41 1t6r s TYR 56 Cb 0.00 -2.18 0.09 0.00 0.42 0.00 0.00 41.96 40.29 1t6r s TYR 56 CO 0.00 0.59 0.25 1.41 0.64 0.00 0.00 175.55 178.43 1t6r s MET 57 N -0.71 0.20 0.00 4.97 1.75 -1.25 -1.52 119.30 122.74 1t6r s MET 57 Ca 0.19 0.35 0.00 0.00 -1.25 0.00 0.00 55.69 54.98 1t6r s MET 57 Cb -0.14 -0.89 0.00 0.00 2.84 0.00 0.00 34.83 36.64 1t6r s MET 57 CO 0.08 -0.58 0.00 -3.47 -0.65 0.00 0.00 175.02 170.40 1t6r n ASP 58 N 5.33 0.00 0.00 1.11 2.03 -0.19 -4.83 116.55 120.01 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 0.02 -1.67 0.00 -1.26 -1.65 120.51 112.95 1t6r n ALA 60 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.28 1t6r n ALA 60 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 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 0.73 0.98 0.00 0.00 -1.87 -2.35 103.07 100.55 1t6r h GLY 61 Ca 0.00 -1.12 -0.03 0.00 0.00 0.00 0.00 47.33 46.18 1t6r h GLY 61 CO 0.00 1.00 -0.26 -2.00 0.00 0.00 0.00 176.54 175.27 1t6r h LEU 62 N 0.43 -0.62 -1.67 3.11 5.85 -1.63 -2.52 115.31 118.24 1t6r h LEU 62 Ca -0.07 0.01 0.07 0.00 0.84 0.00 0.00 57.88 58.72 1t6r h LEU 62 Cb 1.48 0.16 -0.03 0.00 0.37 0.00 0.00 40.66 42.65 1t6r h LEU 62 CO 0.17 -0.42 0.34 1.23 -0.34 0.00 0.00 178.44 179.42 1t6r h GLY 63 N -0.77 0.50 0.77 3.75 0.00 -1.85 -1.50 103.07 103.97 1t6r h GLY 63 Ca -0.08 -0.16 0.03 0.00 0.00 0.00 0.00 47.33 47.12 1t6r h GLY 63 CO 0.12 0.11 0.04 -0.84 0.00 0.00 0.00 176.54 175.98 1t6r h THR 64 N 0.39 0.91 -0.61 4.70 2.02 -1.00 0.05 112.91 119.37 1t6r h THR 64 Ca 0.22 -0.04 0.01 0.00 0.77 0.00 0.00 66.41 67.37 1t6r h THR 64 Cb 0.38 0.78 -0.03 0.00 -1.74 0.00 0.00 68.15 67.53 1t6r h THR 64 CO -0.06 0.02 0.40 -0.07 0.37 0.00 0.00 175.52 176.19 1t6r h LEU 65 N 0.12 0.68 -1.03 2.58 3.38 -0.99 0.18 115.31 120.24 1t6r h LEU 65 Ca 0.09 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.99 1t6r h LEU 65 Cb 0.09 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 1t6r h LEU 65 CO -0.12 0.49 0.04 0.58 0.09 0.00 0.00 178.44 179.52 1t6r h VAL 66 N 0.80 1.23 0.29 1.22 2.07 -1.18 -1.40 116.25 119.27 1t6r h VAL 66 Ca 0.23 -0.89 -0.01 0.00 0.82 0.00 0.00 66.70 66.85 1t6r h VAL 66 Cb -0.06 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 1t6r h VAL 66 CO -0.05 0.32 -0.21 0.58 0.02 0.00 0.00 177.57 178.23 1t6r h VAL 67 N 0.70 0.56 -0.94 2.57 2.07 0.83 -2.84 116.25 119.21 1t6r h VAL 67 Ca 0.15 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.72 1t6r h VAL 67 Cb 0.37 0.56 -0.06 0.00 -1.52 0.00 0.00 31.29 30.63 1t6r h VAL 67 CO 0.01 0.00 0.60 0.40 0.02 0.00 0.00 177.57 178.60 1t6r h ILE 68 N -0.50 1.10 0.37 4.57 1.08 -0.60 -1.63 117.51 121.91 1t6r h ILE 68 Ca -0.02 -0.38 -0.02 0.00 -0.39 0.00 0.00 64.86 64.05 1t6r h ILE 68 Cb 0.43 -0.11 0.00 0.00 -3.07 0.00 0.00 36.82 34.07 1t6r h ILE 68 CO 0.00 0.20 -0.18 0.25 -0.69 0.00 0.00 178.15 177.74 1t6r h LEU 69 N 1.12 -0.42 -1.52 1.44 7.12 -1.26 -1.04 115.31 120.74 1t6r h LEU 69 Ca 0.39 -0.00 0.05 0.00 0.13 0.00 0.00 57.88 58.46 1t6r h LEU 69 Cb 0.11 0.11 -0.03 0.00 -0.53 0.00 0.00 40.66 40.31 1t6r h LEU 69 CO -0.15 -0.28 0.39 0.50 -0.13 0.00 0.00 178.44 178.77 1t6r h LYS 70 N -0.52 0.59 -0.13 1.25 3.64 -1.12 0.76 116.57 121.03 1t6r h LYS 70 Ca -0.05 -0.04 -0.13 0.00 -1.27 0.00 0.00 60.65 59.16 1t6r h LYS 70 Cb 0.40 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.07 1t6r h LYS 70 CO 0.08 0.39 -0.49 -0.44 -2.27 0.00 0.00 179.45 176.72 1t6r h ASP 71 N 0.60 0.38 -0.24 4.20 5.19 -1.09 -1.95 116.42 123.52 1t6r h ASP 71 Ca 0.25 -0.19 0.03 0.00 -0.62 0.00 0.00 57.03 56.50 1t6r h ASP 71 Cb 0.23 -0.11 -0.03 0.00 0.18 0.00 0.00 39.33 39.60 1t6r h ASP 71 CO -0.07 0.81 0.08 0.00 -3.12 0.00 0.00 179.24 176.94 1t6r h ALA 72 N 1.20 0.27 -0.29 3.45 0.00 0.45 -0.88 119.26 123.45 1t6r h ALA 72 Ca 0.01 0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.82 1t6r h ALA 72 Cb 0.97 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 1t6r h ALA 72 CO 0.08 -0.33 -0.36 0.87 0.00 0.00 0.00 179.25 179.51 1t6r h LYS 73 N 0.19 0.65 -0.30 0.00 1.79 -1.09 0.68 116.57 118.49 1t6r h LYS 73 Ca 0.11 -0.31 0.07 0.00 -2.18 0.00 0.00 60.65 58.33 1t6r h LYS 73 Cb 0.08 -0.00 -0.08 0.00 -1.58 0.00 0.00 32.23 30.64 1t6r h LYS 73 CO -0.11 0.91 -0.28 0.82 -1.08 0.00 0.00 179.45 179.71 1t6r h ILE 74 N 0.54 0.32 0.00 1.86 2.04 -1.22 -1.96 117.51 119.10 1t6r h ILE 74 Ca 0.05 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.91 1t6r h ILE 74 Cb 0.87 0.32 0.00 0.00 -0.74 0.00 0.00 36.82 37.27 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 -5.40 0.00 -3.05 1.72 3.02 -0.35 -4.87 115.26 106.33 1t6r n ASN 75 Ca -0.00 -0.74 -0.19 0.00 -0.03 0.00 0.00 54.58 53.61 1t6r n ASN 75 Cb 0.31 0.00 0.07 0.00 -0.61 0.00 0.00 39.78 39.55 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 0.43 -0.28 3.47 7.41 0.00 -0.25 -5.00 105.19 110.96 1t6r n GLY 76 Ca 0.17 0.09 -0.22 0.00 0.00 0.00 0.00 46.02 46.05 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 -6.02 1.71 0.67 1.61 -2.85 0.07 -5.00 119.74 109.93 1t6r s LYS 77 Ca 0.45 -1.97 -0.10 0.00 -1.00 0.00 0.00 55.97 53.35 1t6r s LYS 77 Cb -0.20 -0.83 0.01 0.00 -2.06 0.00 0.00 37.83 34.76 1t6r s LYS 77 CO 0.60 -0.24 1.04 -1.21 0.10 0.00 0.00 175.35 175.64 1t6r s GLU 78 N -3.87 2.89 -0.11 1.78 2.02 -0.13 -4.26 118.70 117.02 1t6r s GLU 78 Ca 0.34 0.35 -0.04 0.00 0.02 0.00 0.00 54.97 55.63 1t6r s GLU 78 Cb 0.08 -2.09 0.05 0.00 0.10 0.00 0.00 34.13 32.27 1t6r s GLU 78 CO 0.15 -0.93 0.21 0.12 0.02 0.00 0.00 175.26 174.83 1t6r s PHE 79 N -3.26 -0.30 0.07 1.61 5.36 -1.26 -4.24 117.98 115.96 1t6r s PHE 79 Ca 0.57 0.78 0.03 0.00 -0.96 0.00 0.00 56.93 57.36 1t6r s PHE 79 Cb -0.11 -0.14 -0.03 0.00 -0.34 0.00 0.00 43.02 42.41 1t6r s PHE 79 CO 0.50 -0.30 -0.10 0.42 -1.46 0.00 0.00 175.22 174.27 1t6r s ILE 80 N 2.26 0.81 0.33 3.12 1.01 -0.69 -4.30 121.20 123.75 1t6r s ILE 80 Ca 0.01 -1.32 0.08 0.00 0.00 0.00 0.00 60.65 59.42 1t6r s ILE 80 Cb -0.12 -0.98 -0.06 0.00 0.01 0.00 0.00 42.46 41.31 1t6r s ILE 80 CO -0.07 -0.40 -0.05 -0.76 0.00 0.00 0.00 174.94 173.65 1t6r s LEU 81 N -1.90 2.63 0.11 2.97 1.43 -1.20 -1.20 118.68 121.52 1t6r s LEU 81 Ca -0.03 -1.24 -0.09 0.00 -1.03 0.00 0.00 54.13 51.74 1t6r s LEU 81 Cb -0.08 -0.81 0.00 0.00 0.03 0.00 0.00 46.19 45.33 1t6r s LEU 81 CO 0.01 -0.32 0.24 -0.55 0.23 0.00 0.00 176.35 175.95 1t6r s SER 82 N -3.56 0.06 -0.67 2.29 0.15 -0.32 -0.84 113.70 110.81 1t6r s SER 82 Ca 0.32 -0.67 -0.04 0.00 0.70 0.00 0.00 55.95 56.27 1t6r s SER 82 Cb 0.05 0.38 0.00 0.00 -1.71 0.00 0.00 66.02 64.74 1t6r s SER 82 CO 0.15 -0.78 0.58 -1.20 1.20 0.00 0.00 173.24 173.19 1t6r n SER 83 N -0.12 -3.76 -4.59 5.45 7.64 -1.13 -0.73 113.62 116.39 1t6r n SER 83 Ca -0.13 -0.28 -0.42 0.00 1.01 0.00 0.00 58.87 59.05 1t6r n SER 83 Cb 0.63 -2.79 -0.03 0.00 -1.01 0.00 0.00 64.21 61.01 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 -4.18 3.47 0.90 -3.43 2.01 -1.26 -3.46 118.68 112.73 1t6r s LEU 84 Ca 0.23 1.15 -0.11 0.00 0.01 0.00 0.00 54.13 55.42 1t6r s LEU 84 Cb -0.10 -3.32 0.13 0.00 0.01 0.00 0.00 46.19 42.91 1t6r s LEU 84 CO 0.37 -1.86 1.10 -0.54 1.01 0.00 0.00 176.35 176.43 1t6r s LYS 85 N 5.97 1.17 0.21 1.70 -0.14 -1.26 -4.57 119.74 122.82 1t6r s LYS 85 Ca 0.79 1.15 -0.10 0.00 -1.36 0.00 0.00 55.97 56.45 1t6r s LYS 85 Cb -0.21 -1.77 0.28 0.00 -1.68 0.00 0.00 37.83 34.44 1t6r s LYS 85 CO 0.31 -2.40 1.71 0.93 -0.76 0.00 0.00 175.35 175.15 1t6r h GLU 86 N -1.68 0.27 0.00 1.68 5.08 -1.96 0.40 114.58 118.38 1t6r h GLU 86 Ca -0.47 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 57.87 1t6r h GLU 86 Cb 1.27 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1t6r h GLU 86 CO 0.49 0.18 0.00 0.43 -1.00 0.00 0.00 179.01 179.11 1t6r n SER 87 N -5.10 0.00 -0.23 1.42 7.64 -1.26 -2.42 113.62 113.67 1t6r n SER 87 Ca 0.08 0.65 0.00 0.00 1.01 0.00 0.00 58.87 60.61 1t6r n SER 87 Cb 0.30 -0.15 0.08 0.00 -1.01 0.00 0.00 64.21 63.43 1t6r n SER 87 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 1t6r h ILE 88 N 0.00 0.34 -0.01 0.44 1.08 -1.64 0.60 117.51 118.31 1t6r h ILE 88 Ca 0.00 -0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.50 1t6r h ILE 88 Cb 0.00 0.33 -0.05 0.00 -3.07 0.00 0.00 36.82 34.03 1t6r h ILE 88 CO 0.00 0.00 -0.31 -1.28 -0.69 0.00 0.00 178.15 175.87 1t6r h SER 89 N 0.01 -0.93 -0.65 1.72 0.87 -0.31 0.13 113.55 114.38 1t6r h SER 89 Ca 0.33 0.12 0.12 0.00 -1.23 0.00 0.00 61.79 61.13 1t6r h SER 89 Cb 0.50 0.38 -0.09 0.00 -0.44 0.00 0.00 62.40 62.75 1t6r h SER 89 CO -0.68 -0.37 0.18 -0.09 -0.53 0.00 0.00 176.83 175.34 1t6r h ARG 90 N -0.45 0.31 -0.45 2.24 9.65 -0.57 -1.04 114.38 124.06 1t6r h ARG 90 Ca 0.07 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.93 1t6r h ARG 90 Cb 0.55 -0.07 0.00 0.00 -1.39 0.00 0.00 29.97 29.06 1t6r h ARG 90 CO -0.27 0.20 0.00 -0.89 2.80 0.00 0.00 179.97 181.81 1t6r n ILE 91 N -5.09 0.00 -0.04 1.20 5.41 -0.02 -0.11 119.36 120.71 1t6r n ILE 91 Ca 0.11 0.00 -0.05 0.00 1.00 0.00 0.00 62.75 63.80 1t6r n ILE 91 Cb 0.35 -0.26 -0.03 0.00 -0.71 0.00 0.00 39.64 38.99 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 -0.20 2.91 0.20 1.39 4.77 -0.43 -4.64 117.00 120.99 1t6r n LEU 92 Ca 0.00 -0.04 0.08 0.00 -0.03 0.00 0.00 56.01 56.03 1t6r n LEU 92 Cb 0.11 -0.26 0.26 0.00 -2.33 0.00 0.00 43.42 41.21 1t6r n LEU 92 CO 0.00 0.61 0.70 0.11 -1.33 0.00 0.00 177.39 177.48 1t6r h LYS 93 N -0.01 0.00 -0.02 3.23 6.56 -0.88 0.17 116.57 125.61 1t6r h LYS 93 Ca -0.17 0.00 0.01 0.00 -1.06 0.00 0.00 60.65 59.43 1t6r h LYS 93 Cb 1.25 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 32.91 1t6r h LYS 93 CO -0.03 0.26 0.03 1.37 -2.06 0.00 0.00 179.45 179.02 1t6r h LEU 94 N 0.00 0.00 -2.81 2.94 -0.00 -0.78 -1.52 115.31 113.15 1t6r h LEU 94 Ca -0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 57.88 57.84 1t6r h LEU 94 Cb 1.00 0.00 -0.09 0.00 -0.00 0.00 0.00 40.66 41.58 1t6r h LEU 94 CO 0.03 0.00 -0.49 0.41 -0.00 0.00 0.00 178.44 178.40 1t6r n THR 95 N -3.65 1.20 -1.65 0.15 -1.04 -1.23 -4.99 114.28 103.07 1t6r n THR 95 Ca -0.02 -1.85 -0.20 0.00 -2.04 0.00 0.00 64.05 59.94 1t6r n THR 95 Cb 0.12 0.18 -0.08 0.00 -1.82 0.00 0.00 70.33 68.73 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 -0.62 -0.15 0.28 -1.42 8.25 -0.57 -4.85 115.22 116.14 1t6r n HIS 96 Ca 0.12 0.00 0.16 0.00 -0.26 0.00 0.00 57.72 57.73 1t6r n HIS 96 Cb 0.78 -3.40 0.81 0.00 1.12 0.00 0.00 29.99 29.30 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 -1.83 2.41 3.38 -0.92 -2.05 115.31 116.29 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 1.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.04 1t6r h LEU 97 CO 0.59 0.07 0.00 -2.24 0.09 0.00 0.00 178.44 176.95 1t6r h ASP 98 N 0.00 0.00 0.34 -0.43 2.03 -1.73 0.80 116.42 117.44 1t6r h ASP 98 Ca -0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1t6r h ASP 98 Cb 0.32 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.82 1t6r h ASP 98 CO 0.01 0.00 -1.00 2.29 -1.03 0.00 0.00 179.24 179.51 1t6r n LYS 99 N -2.64 0.22 -0.02 4.15 2.85 -0.77 -3.15 118.16 118.79 1t6r n LYS 99 Ca -0.01 -0.01 -0.22 0.00 -1.05 0.00 0.00 58.31 57.02 1t6r n LYS 99 Cb 0.12 -1.56 -0.13 0.00 -0.65 0.00 0.00 35.03 32.80 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 -1.83 1.73 -1.04 0.58 5.41 0.11 -4.31 119.36 120.01 1t6r n ILE 100 Ca 0.02 -0.53 0.09 0.00 1.00 0.00 0.00 62.75 63.34 1t6r n ILE 100 Cb 0.41 -1.79 0.20 0.00 -0.71 0.00 0.00 39.64 37.74 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 -3.68 0.44 -1.79 1.39 3.72 -0.23 -4.97 117.46 112.35 1t6r n PHE 101 Ca -0.32 -0.94 0.00 0.00 -0.05 0.00 0.00 57.45 56.13 1t6r n PHE 101 Cb 0.97 -0.23 0.00 0.00 -0.94 0.00 0.00 39.48 39.29 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 -1.00 0.00 -3.57 -1.08 4.81 -1.19 -3.25 118.16 112.88 1t6r n LYS 102 Ca 0.19 0.00 -0.09 0.00 -0.87 0.00 0.00 58.31 57.54 1t6r n LYS 102 Cb 0.76 0.00 -0.02 0.00 0.02 0.00 0.00 35.03 35.79 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 0.02 3.15 2.07 -1.24 -4.30 121.20 120.89 1t6r s ILE 103 Ca 0.00 -0.27 0.02 0.00 -1.41 0.00 0.00 60.65 58.99 1t6r s ILE 103 Cb 0.00 -1.33 -0.01 0.00 0.13 0.00 0.00 42.46 41.25 1t6r s ILE 103 CO 0.00 0.00 -0.06 0.42 -1.91 0.00 0.00 174.94 173.39 1t6r s THR 104 N -3.49 0.46 -0.01 4.00 -4.23 -0.02 -4.93 115.64 107.42 1t6r s THR 104 Ca 0.06 -0.66 -0.24 0.00 -1.18 0.00 0.00 61.69 59.67 1t6r s THR 104 Cb -0.02 -0.47 -0.17 0.00 1.34 0.00 0.00 72.50 73.18 1t6r s THR 104 CO -0.06 -0.15 1.18 -0.78 -0.54 0.00 0.00 174.62 174.28 1t6r h ASP 105 N 5.23 -0.21 -4.74 3.99 1.82 -1.93 -3.00 116.42 117.58 1t6r h ASP 105 Ca -0.32 -0.29 -0.47 0.00 -0.39 0.00 0.00 57.03 55.56 1t6r h ASP 105 Cb 1.20 0.05 -0.12 0.00 0.68 0.00 0.00 39.33 41.14 1t6r h ASP 105 CO 0.45 0.22 -0.45 0.35 -1.61 0.00 0.00 179.24 178.20 1t6r n THR 106 N -5.01 0.00 0.32 2.25 -2.24 -1.26 -2.87 114.28 105.48 1t6r n THR 106 Ca -0.09 -2.32 0.21 0.00 -2.27 0.00 0.00 64.05 59.58 1t6r n THR 106 Cb 0.25 1.10 1.11 0.00 -2.10 0.00 0.00 70.33 70.70 1t6r n THR 106 CO 0.00 0.00 0.00 1.62 -0.57 0.00 0.00 175.07 176.12 1t6r h VAL 107 N 1.96 0.11 0.00 2.28 3.04 -1.99 0.08 116.25 121.73 1t6r h VAL 107 Ca -0.24 -0.06 0.00 0.00 -1.01 0.00 0.00 66.70 65.39 1t6r h VAL 107 Cb 1.15 1.06 0.00 0.00 -2.01 0.00 0.00 31.29 31.49 1t6r h VAL 107 CO 0.36 0.01 0.00 -0.62 -1.01 0.00 0.00 177.57 176.30 1t6r n GLU 108 N -3.23 0.12 -0.00 4.17 1.02 -1.26 -1.92 120.64 119.54 1t6r n GLU 108 Ca -0.03 0.32 0.10 0.00 -0.02 0.00 0.00 57.16 57.53 1t6r n GLU 108 Cb 0.10 -1.72 -0.12 0.00 -0.02 0.00 0.00 31.44 29.68 1t6r n GLU 108 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1t6r n GLU 109 N -1.94 0.43 0.00 3.49 1.02 0.00 -5.10 120.64 118.54 1t6r n GLU 109 Ca 0.03 -0.02 0.13 0.00 -0.02 0.00 0.00 57.16 57.28 1t6r n GLU 109 Cb 0.23 -1.45 0.22 0.00 -0.02 0.00 0.00 31.44 30.43 1t6r n GLU 109 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31