#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 -0.11 0.65 7.83 4.22 -1.26 -5.16 114.94 121.11 1t6r s ASN 2 Ca 0.00 0.30 -0.11 0.00 -2.14 0.00 0.00 52.86 50.91 1t6r s ASN 2 Cb 0.00 1.35 -0.02 0.00 1.28 0.00 0.00 41.25 43.86 1t6r s ASN 2 CO 0.00 -0.30 1.04 0.20 -2.04 0.00 0.00 177.10 176.01 1t6r s ASN 3 N 2.62 5.80 0.24 3.54 -0.87 -1.26 -5.01 114.94 119.99 1t6r s ASN 3 Ca 0.14 1.54 -0.31 0.00 -1.57 0.00 0.00 52.86 52.66 1t6r s ASN 3 Cb -0.15 -2.49 -0.14 0.00 -0.02 0.00 0.00 41.25 38.46 1t6r s ASN 3 CO -0.19 -1.16 1.32 -0.11 -2.57 0.00 0.00 177.10 174.39 1t6r n LEU 4 N -2.89 2.76 -4.25 0.60 0.00 -1.26 -4.89 117.00 107.07 1t6r n LEU 4 Ca 0.07 1.15 -0.14 0.00 0.00 0.00 0.00 56.01 57.09 1t6r n LEU 4 Cb 0.54 -1.38 -0.10 0.00 0.00 0.00 0.00 43.42 42.47 1t6r n LEU 4 CO 0.56 -0.70 -0.37 -0.54 0.00 0.00 0.00 177.39 176.34 1t6r s LYS 5 N -0.63 1.09 -0.26 1.96 -0.14 -1.26 -5.02 119.74 115.48 1t6r s LYS 5 Ca 0.67 -1.50 -0.03 0.00 -1.36 0.00 0.00 55.97 53.75 1t6r s LYS 5 Cb -0.68 -0.46 0.11 0.00 -1.68 0.00 0.00 37.83 35.12 1t6r s LYS 5 CO 0.52 -0.03 0.20 -0.51 -0.76 0.00 0.00 175.35 174.78 1t6r s LEU 6 N -3.18 0.11 -1.04 3.17 1.43 -1.26 -1.88 118.68 116.03 1t6r s LEU 6 Ca 0.20 -0.81 -0.14 0.00 -1.03 0.00 0.00 54.13 52.36 1t6r s LEU 6 Cb 0.05 0.11 0.20 0.00 0.03 0.00 0.00 46.19 46.58 1t6r s LEU 6 CO 0.02 -0.39 1.14 -0.62 0.23 0.00 0.00 176.35 176.74 1t6r s ASP 7 N 2.24 6.98 -0.07 2.29 2.15 -0.37 -4.90 116.67 124.99 1t6r s ASP 7 Ca 0.08 -2.89 -0.30 0.00 0.43 0.00 0.00 52.55 49.87 1t6r s ASP 7 Cb -0.15 -2.31 -0.02 0.00 -0.30 0.00 0.00 42.92 40.14 1t6r s ASP 7 CO -0.27 -0.66 1.05 -0.63 -0.17 0.00 0.00 175.17 174.49 1t6r s ILE 8 N 0.76 4.65 -0.05 4.11 1.01 -1.26 -0.95 121.20 129.47 1t6r s ILE 8 Ca 0.32 1.92 -0.00 0.00 0.00 0.00 0.00 60.65 62.89 1t6r s ILE 8 Cb -0.07 -4.23 0.03 0.00 0.01 0.00 0.00 42.46 38.20 1t6r s ILE 8 CO -0.06 0.04 -0.01 -0.69 0.00 0.00 0.00 174.94 174.22 1t6r s VAL 9 N 1.82 0.32 -0.03 2.92 1.01 0.24 -4.99 120.40 121.69 1t6r s VAL 9 Ca 0.51 0.06 0.23 0.00 0.00 0.00 0.00 61.98 62.79 1t6r s VAL 9 Cb -0.21 -0.42 0.40 0.00 0.00 0.00 0.00 36.38 36.15 1t6r s VAL 9 CO 0.21 0.20 1.15 -1.84 0.00 0.00 0.00 175.10 174.83 1t6r n GLU 10 N 4.50 0.18 0.00 2.72 -0.00 -1.26 -0.53 120.64 126.24 1t6r n GLU 10 Ca -0.19 -2.04 0.09 0.00 -0.00 0.00 0.00 57.16 55.02 1t6r n GLU 10 Cb 0.50 -0.10 0.48 0.00 -0.00 0.00 0.00 31.44 32.32 1t6r n GLU 10 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 1t6r n GLN 11 N 0.33 0.31 0.00 3.44 1.13 -1.26 -4.22 117.38 117.11 1t6r n GLN 11 Ca 0.03 0.09 0.00 0.00 -1.94 0.00 0.00 57.00 55.18 1t6r n GLN 11 Cb 1.07 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.92 1t6r n GLN 11 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 1t6r n ASP 12 N -1.24 0.00 0.00 1.08 9.92 -1.26 -5.06 116.55 119.98 1t6r n ASP 12 Ca 0.10 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.36 1t6r n ASP 12 Cb 0.14 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.62 1t6r n ASP 12 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 1t6r n ASP 13 N -0.79 0.00 -3.69 -2.24 5.68 -1.26 -5.11 116.55 109.13 1t6r n ASP 13 Ca 0.00 -0.71 -0.12 0.00 -0.50 0.00 0.00 54.79 53.46 1t6r n ASP 13 Cb 0.00 0.00 -0.13 0.00 -1.14 0.00 0.00 41.12 39.85 1t6r n ASP 13 CO 0.00 0.00 0.00 -0.75 -1.33 0.00 0.00 177.20 175.12 1t6r s LYS 14 N 0.00 0.20 -1.08 0.11 2.20 -1.26 -4.80 119.74 115.11 1t6r s LYS 14 Ca 0.00 0.67 -0.22 0.00 -0.36 0.00 0.00 55.97 56.06 1t6r s LYS 14 Cb 0.00 -0.05 0.05 0.00 -1.51 0.00 0.00 37.83 36.32 1t6r s LYS 14 CO 0.00 -0.22 1.52 0.00 -0.36 0.00 0.00 175.35 176.29 1t6r s ALA 15 N 1.81 2.82 0.52 3.13 0.00 -0.24 -4.13 121.76 125.67 1t6r s ALA 15 Ca -0.05 -2.39 -0.18 0.00 0.00 0.00 0.00 51.96 49.35 1t6r s ALA 15 Cb -0.11 -4.56 -0.07 0.00 0.00 0.00 0.00 23.12 18.38 1t6r s ALA 15 CO -0.09 -3.57 1.01 0.42 0.00 0.00 0.00 175.76 173.53 1t6r s ILE 16 N 4.88 4.12 -0.15 0.00 1.09 0.31 -0.66 121.20 130.79 1t6r s ILE 16 Ca 0.48 1.13 -0.02 0.00 -1.10 0.00 0.00 60.65 61.14 1t6r s ILE 16 Cb 0.01 -3.54 0.05 0.00 -1.06 0.00 0.00 42.46 37.92 1t6r s ILE 16 CO -0.06 -0.47 -0.00 -0.69 -0.10 0.00 0.00 174.94 173.61 1t6r s VAL 17 N -2.35 0.68 -0.76 2.92 1.01 -0.21 -0.59 120.40 121.09 1t6r s VAL 17 Ca 0.63 -0.40 -0.23 0.00 0.00 0.00 0.00 61.98 61.98 1t6r s VAL 17 Cb -0.13 -0.98 0.07 0.00 0.00 0.00 0.00 36.38 35.33 1t6r s VAL 17 CO 0.27 0.03 1.12 -0.13 0.00 0.00 0.00 175.10 176.40 1t6r s ARG 18 N 1.81 3.25 0.06 2.72 0.52 -0.13 -0.46 118.95 126.73 1t6r s ARG 18 Ca 0.01 -0.84 -0.29 0.00 -0.52 0.00 0.00 55.73 54.09 1t6r s ARG 18 Cb -0.15 -4.44 -0.05 0.00 0.52 0.00 0.00 34.95 30.83 1t6r s ARG 18 CO -0.07 -1.94 0.92 0.08 0.02 0.00 0.00 175.30 174.30 1t6r s VAL 19 N 4.41 4.68 -0.08 3.52 1.01 -0.40 -1.24 120.40 132.30 1t6r s VAL 19 Ca 0.30 1.95 0.12 0.00 0.00 0.00 0.00 61.98 64.35 1t6r s VAL 19 Cb -0.11 -4.27 0.19 0.00 0.00 0.00 0.00 36.38 32.19 1t6r s VAL 19 CO 0.06 0.28 1.09 0.00 0.00 0.00 0.00 175.10 176.53 1t6r n GLN 20 N 3.17 1.70 -3.64 2.72 6.02 -0.79 -3.54 117.38 123.02 1t6r n GLN 20 Ca 0.02 -2.16 -0.01 0.00 -0.01 0.00 0.00 57.00 54.85 1t6r n GLN 20 Cb 0.50 -1.29 -0.01 0.00 1.02 0.00 0.00 30.24 30.46 1t6r n GLN 20 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 1t6r s GLY 21 N -2.19 -0.36 1.07 1.08 0.00 -1.26 -4.65 107.32 101.01 1t6r s GLY 21 Ca 0.21 0.71 -0.17 0.00 0.00 0.00 0.00 44.72 45.47 1t6r s GLY 21 CO 0.02 0.17 1.19 0.99 0.00 0.00 0.00 173.10 175.46 1t6r s ASP 22 N -2.82 2.08 -0.43 1.64 1.01 -1.26 -4.37 116.67 112.51 1t6r s ASP 22 Ca 0.12 0.57 0.10 0.00 0.71 0.00 0.00 52.55 54.05 1t6r s ASP 22 Cb 0.02 -0.80 0.34 0.00 1.01 0.00 0.00 42.92 43.49 1t6r s ASP 22 CO -0.03 -3.40 0.78 -0.38 0.21 0.00 0.00 175.17 172.35 1t6r n ILE 23 N -4.27 0.72 -1.86 0.77 5.41 0.14 -4.68 119.36 115.59 1t6r n ILE 23 Ca 0.13 -4.85 -0.28 0.00 1.00 0.00 0.00 62.75 58.74 1t6r n ILE 23 Cb 0.59 -0.62 0.20 0.00 -0.71 0.00 0.00 39.64 39.10 1t6r n ILE 23 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 1t6r n ASP 24 N 0.17 0.03 0.03 4.38 -0.08 -1.26 -0.71 116.55 119.11 1t6r n ASP 24 Ca 0.27 -1.45 0.03 0.00 -1.51 0.00 0.00 54.79 52.12 1t6r n ASP 24 Cb 0.58 -0.98 0.15 0.00 2.34 0.00 0.00 41.12 43.21 1t6r n ASP 24 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1t6r n ALA 25 N -3.86 1.13 0.21 -1.67 0.00 -1.26 0.03 120.51 115.10 1t6r n ALA 25 Ca -0.21 0.02 0.12 0.00 0.00 0.00 0.00 53.44 53.38 1t6r n ALA 25 Cb 0.56 -1.09 0.16 0.00 0.00 0.00 0.00 19.45 19.07 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 -1.98 -3.39 116.97 111.65 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 0.05 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.79 1t6r h TYR 26 CO 0.00 0.00 -0.60 0.09 -1.05 0.00 0.00 178.16 176.60 1t6r n ASN 27 N -3.08 1.44 -0.21 3.88 3.02 -0.35 -4.62 115.26 115.35 1t6r n ASN 27 Ca 0.04 0.00 0.01 0.00 -0.03 0.00 0.00 54.58 54.60 1t6r n ASN 27 Cb 0.53 0.00 0.11 0.00 -0.61 0.00 0.00 39.78 39.82 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 -0.14 -0.98 6.41 4.64 -0.62 0.40 113.55 123.26 1t6r h SER 28 Ca 0.00 0.14 0.31 0.00 -0.47 0.00 0.00 61.79 61.77 1t6r h SER 28 Cb 0.60 0.22 -0.15 0.00 -0.31 0.00 0.00 62.40 62.76 1t6r h SER 28 CO 0.00 -0.06 0.51 0.28 -0.87 0.00 0.00 176.83 176.69 1t6r h SER 29 N 0.18 0.42 0.04 4.97 0.02 -1.77 0.46 113.55 117.88 1t6r h SER 29 Ca 0.33 0.19 -0.35 0.00 -0.84 0.00 0.00 61.79 61.12 1t6r h SER 29 Cb 0.53 0.16 -0.04 0.00 0.14 0.00 0.00 62.40 63.19 1t6r h SER 29 CO -0.48 -0.15 -1.99 -0.62 -1.14 0.00 0.00 176.83 172.45 1t6r n GLU 30 N -5.09 0.65 -0.33 3.45 -0.58 0.35 -2.90 120.64 116.20 1t6r n GLU 30 Ca 0.30 0.33 0.27 0.00 -0.42 0.00 0.00 57.16 57.64 1t6r n GLU 30 Cb 0.94 -1.64 0.58 0.00 -0.57 0.00 0.00 31.44 30.75 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 -0.45 0.32 0.56 -4.62 6.46 -0.25 -1.81 115.31 115.52 1t6r h LEU 31 Ca -0.49 0.07 -0.03 0.00 -0.12 0.00 0.00 57.88 57.31 1t6r h LEU 31 Cb 1.72 0.02 0.01 0.00 -0.73 0.00 0.00 40.66 41.68 1t6r h LEU 31 CO -0.13 0.04 -0.27 0.50 -0.62 0.00 0.00 178.44 177.96 1t6r h LYS 32 N 0.27 -0.73 0.00 1.25 3.64 -0.15 0.68 116.57 121.53 1t6r h LYS 32 Ca 0.61 0.05 0.00 0.00 -1.27 0.00 0.00 60.65 60.04 1t6r h LYS 32 Cb 1.79 0.17 0.00 0.00 -0.41 0.00 0.00 32.23 33.77 1t6r h LYS 32 CO -0.24 -0.46 0.00 -0.85 -2.27 0.00 0.00 179.45 175.64 1t6r n GLU 33 N -5.28 0.40 -0.07 1.90 0.28 -0.75 -0.37 120.64 116.75 1t6r n GLU 33 Ca -0.10 0.02 -0.10 0.00 -0.16 0.00 0.00 57.16 56.83 1t6r n GLU 33 Cb 0.31 -1.50 -0.06 0.00 1.43 0.00 0.00 31.44 31.62 1t6r n GLU 33 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 1t6r n GLN 34 N -1.04 0.33 0.12 3.44 6.02 -0.77 -4.17 117.38 121.31 1t6r n GLN 34 Ca 0.10 0.08 -0.00 0.00 -0.01 0.00 0.00 57.00 57.17 1t6r n GLN 34 Cb 0.06 -1.24 0.27 0.00 1.02 0.00 0.00 30.24 30.35 1t6r n GLN 34 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 1t6r h LEU 35 N -0.04 0.17 -0.46 1.08 3.38 -0.45 0.12 115.31 119.12 1t6r h LEU 35 Ca -0.30 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.61 1t6r h LEU 35 Cb 1.44 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 42.15 1t6r h LEU 35 CO -0.06 0.54 0.00 -1.14 0.09 0.00 0.00 178.44 177.87 1t6r n ARG 36 N -4.06 0.09 -0.10 1.13 0.63 0.50 -2.64 116.66 112.22 1t6r n ARG 36 Ca -0.01 0.41 -0.15 0.00 -0.92 0.00 0.00 57.85 57.18 1t6r n ARG 36 Cb 0.44 -1.70 -0.06 0.00 0.45 0.00 0.00 32.46 31.59 1t6r n ARG 36 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 1t6r n ASN 37 N -1.87 1.87 -0.33 6.15 3.02 -0.27 -4.41 115.26 119.42 1t6r n ASN 37 Ca 0.02 0.47 -0.09 0.00 -0.03 0.00 0.00 54.58 54.95 1t6r n ASN 37 Cb 0.15 -0.87 -0.08 0.00 -0.61 0.00 0.00 39.78 38.37 1t6r n ASN 37 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 1t6r n PHE 38 N -4.47 -0.35 0.24 3.10 7.35 0.26 -0.19 117.46 123.40 1t6r n PHE 38 Ca -0.24 0.99 0.09 0.00 -0.76 0.00 0.00 57.45 57.53 1t6r n PHE 38 Cb 0.54 -0.56 0.60 0.00 0.35 0.00 0.00 39.48 40.41 1t6r n PHE 38 CO 0.00 0.00 0.00 0.82 -0.76 0.00 0.00 176.76 176.82 1t6r h ILE 39 N 0.00 0.84 -0.00 -2.13 2.04 -1.76 -0.28 117.51 116.22 1t6r h ILE 39 Ca 0.13 -0.67 0.00 0.00 1.00 0.00 0.00 64.86 65.32 1t6r h ILE 39 Cb 0.32 1.39 0.00 0.00 -0.74 0.00 0.00 36.82 37.79 1t6r h ILE 39 CO -0.74 0.17 -0.13 -0.24 0.00 0.00 0.00 178.15 177.21 1t6r n SER 40 N -3.92 0.54 -2.76 1.72 2.88 0.73 -4.44 113.62 108.37 1t6r n SER 40 Ca -0.02 -0.60 -0.03 0.00 -1.33 0.00 0.00 58.87 56.89 1t6r n SER 40 Cb 0.26 -0.05 0.06 0.00 -0.75 0.00 0.00 64.21 63.74 1t6r n SER 40 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 1t6r n THR 41 N -0.92 0.89 0.00 2.46 5.66 -0.13 -4.90 114.28 117.34 1t6r n THR 41 Ca 0.14 -2.51 0.00 0.00 -3.05 0.00 0.00 64.05 58.63 1t6r n THR 41 Cb 0.29 1.08 0.00 0.00 -1.55 0.00 0.00 70.33 70.15 1t6r n THR 41 CO 0.00 0.00 0.00 1.07 -3.05 0.00 0.00 175.07 173.09 1t6r n THR 42 N -0.64 0.00 0.00 1.09 5.66 -1.11 -4.89 114.28 114.39 1t6r n THR 42 Ca 0.02 -0.10 0.00 0.00 -3.05 0.00 0.00 64.05 60.92 1t6r n THR 42 Cb 0.82 0.70 0.00 0.00 -1.55 0.00 0.00 70.33 70.30 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 -0.37 0.00 -4.70 1.09 2.88 -1.26 -4.92 113.62 106.33 1t6r n SER 43 Ca 0.00 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.12 1t6r n SER 43 Cb 0.00 -0.36 -0.03 0.00 -0.75 0.00 0.00 64.21 63.07 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 4.49 0.42 -1.46 1.02 -1.26 -4.89 119.74 118.05 1t6r s LYS 44 Ca 0.00 1.50 0.29 0.00 0.02 0.00 0.00 55.97 57.79 1t6r s LYS 44 Cb 0.00 -3.47 1.34 0.00 -0.52 0.00 0.00 37.83 35.19 1t6r s LYS 44 CO 0.00 -0.18 1.88 0.87 -0.92 0.00 0.00 175.35 177.00 1t6r h LYS 45 N 6.93 0.00 -4.96 1.68 1.57 -1.92 -3.42 116.57 116.46 1t6r h LYS 45 Ca -0.38 0.00 -0.67 0.00 -1.87 0.00 0.00 60.65 57.73 1t6r h LYS 45 Cb 1.20 0.00 -0.31 0.00 0.08 0.00 0.00 32.23 33.20 1t6r h LYS 45 CO 0.80 0.00 -0.75 -1.59 -0.57 0.00 0.00 179.45 177.34 1t6r s LYS 46 N -3.58 3.05 -0.09 3.15 0.00 -1.26 -1.31 119.74 119.69 1t6r s LYS 46 Ca 0.01 -0.83 0.01 0.00 0.00 0.00 0.00 55.97 55.16 1t6r s LYS 46 Cb 0.09 -2.94 -0.02 0.00 0.00 0.00 0.00 37.83 34.96 1t6r s LYS 46 CO 0.40 -0.30 -0.13 0.42 0.00 0.00 0.00 175.35 175.73 1t6r s ILE 47 N 1.38 3.08 -0.35 3.79 1.09 -1.26 -1.08 121.20 127.85 1t6r s ILE 47 Ca 0.03 -0.68 -0.01 0.00 -1.10 0.00 0.00 60.65 58.89 1t6r s ILE 47 Cb -0.15 -2.25 0.12 0.00 -1.06 0.00 0.00 42.46 39.12 1t6r s ILE 47 CO -0.05 0.55 0.18 -0.69 -0.10 0.00 0.00 174.94 174.83 1t6r s VAL 48 N -0.15 0.50 -0.69 2.92 1.01 0.17 -1.34 120.40 122.83 1t6r s VAL 48 Ca -0.01 -1.63 -0.27 0.00 0.00 0.00 0.00 61.98 60.07 1t6r s VAL 48 Cb -0.13 -1.37 0.03 0.00 0.00 0.00 0.00 36.38 34.90 1t6r s VAL 48 CO 0.03 -0.86 1.26 -0.22 0.00 0.00 0.00 175.10 175.31 1t6r s LEU 49 N 1.23 3.26 -0.65 3.92 2.96 0.31 -1.05 118.68 128.66 1t6r s LEU 49 Ca 0.15 -0.26 -0.24 0.00 -0.22 0.00 0.00 54.13 53.55 1t6r s LEU 49 Cb -0.21 -2.76 0.05 0.00 0.50 0.00 0.00 46.19 43.77 1t6r s LEU 49 CO -0.12 -1.73 1.05 -0.62 -1.32 0.00 0.00 176.35 173.62 1t6r s ASP 50 N 3.51 6.22 -0.08 3.68 -1.08 0.39 -0.66 116.67 128.65 1t6r s ASP 50 Ca 0.38 -0.64 0.07 0.00 -0.52 0.00 0.00 52.55 51.84 1t6r s ASP 50 Cb -0.08 -2.47 0.35 0.00 -1.46 0.00 0.00 42.92 39.26 1t6r s ASP 50 CO 0.19 -1.49 1.09 0.18 0.52 0.00 0.00 175.17 175.65 1t6r n LEU 51 N 8.11 2.82 0.31 -1.34 7.99 -0.14 -1.27 117.00 133.48 1t6r n LEU 51 Ca -0.00 -1.43 0.21 0.00 -0.01 0.00 0.00 56.01 54.78 1t6r n LEU 51 Cb 0.47 -0.51 1.11 0.00 -0.11 0.00 0.00 43.42 44.38 1t6r n LEU 51 CO 0.66 0.42 1.12 -1.28 -1.51 0.00 0.00 177.39 176.80 1t6r h SER 52 N 1.78 0.00 0.19 -1.43 0.87 -1.65 -0.16 113.55 113.16 1t6r h SER 52 Ca 0.00 0.00 -0.34 0.00 -1.23 0.00 0.00 61.79 60.22 1t6r h SER 52 Cb 1.01 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.98 1t6r h SER 52 CO 0.17 0.00 -1.69 -1.28 -0.53 0.00 0.00 176.83 173.51 1t6r h SER 53 N 0.00 0.63 -3.08 6.23 0.87 -1.83 -3.47 113.55 112.90 1t6r h SER 53 Ca 0.00 -0.93 -0.53 0.00 -1.23 0.00 0.00 61.79 59.10 1t6r h SER 53 Cb 0.00 -0.21 0.04 0.00 -0.44 0.00 0.00 62.40 61.80 1t6r h SER 53 CO 0.00 1.77 0.79 -0.69 -0.53 0.00 0.00 176.83 178.16 1t6r s VAL 54 N -2.57 2.85 0.01 2.23 1.01 -0.07 -4.75 120.40 119.11 1t6r s VAL 54 Ca -0.16 0.65 0.00 0.00 0.00 0.00 0.00 61.98 62.47 1t6r s VAL 54 Cb 0.05 -3.41 0.00 0.00 0.00 0.00 0.00 36.38 33.02 1t6r s VAL 54 CO 0.86 0.07 0.00 -1.20 0.00 0.00 0.00 175.10 174.83 1t6r n SER 55 N 3.38 0.10 -4.89 3.32 7.64 -1.26 -4.60 113.62 117.31 1t6r n SER 55 Ca 0.11 0.02 -0.36 0.00 1.01 0.00 0.00 58.87 59.65 1t6r n SER 55 Cb 0.40 -0.03 -0.06 0.00 -1.01 0.00 0.00 64.21 63.52 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 -2.00 3.59 -0.16 1.43 6.14 -1.26 -4.29 117.35 120.79 1t6r s TYR 56 Ca 0.00 0.50 -0.04 0.00 0.64 0.00 0.00 57.07 58.16 1t6r s TYR 56 Cb 0.00 -1.92 0.08 0.00 0.42 0.00 0.00 41.96 40.54 1t6r s TYR 56 CO 0.00 0.69 0.24 1.41 0.64 0.00 0.00 175.55 178.54 1t6r s MET 57 N -1.41 0.17 0.00 4.97 -2.45 -1.26 -0.68 119.30 118.64 1t6r s MET 57 Ca 0.21 0.51 0.00 0.00 -1.25 0.00 0.00 55.69 55.15 1t6r s MET 57 Cb -0.12 -0.54 0.00 0.00 1.25 0.00 0.00 34.83 35.42 1t6r s MET 57 CO 0.10 -0.45 0.00 -3.47 1.05 0.00 0.00 175.02 172.25 1t6r n ASP 58 N 5.34 0.00 0.00 1.11 2.03 0.12 -4.82 116.55 120.32 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 0.16 -1.67 0.00 -1.26 -1.01 120.51 113.73 1t6r n ALA 60 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.30 1t6r n ALA 60 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.37 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 -0.39 0.98 0.00 0.00 -1.85 -2.49 103.07 99.32 1t6r h GLY 61 Ca 0.00 0.14 -0.05 0.00 0.00 0.00 0.00 47.33 47.42 1t6r h GLY 61 CO 0.00 -0.14 0.10 -2.00 0.00 0.00 0.00 176.54 174.50 1t6r h LEU 62 N -0.51 0.76 -0.44 3.11 5.85 -1.39 -1.26 115.31 121.43 1t6r h LEU 62 Ca -0.04 -0.24 0.00 0.00 0.84 0.00 0.00 57.88 58.44 1t6r h LEU 62 Cb 0.38 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.21 1t6r h LEU 62 CO 0.06 0.81 0.00 0.61 -0.34 0.00 0.00 178.44 179.58 1t6r n GLY 63 N -0.57 -1.37 0.17 3.75 0.00 -1.25 -2.31 105.19 103.60 1t6r n GLY 63 Ca 0.01 0.04 -0.11 0.00 0.00 0.00 0.00 46.02 45.96 1t6r n GLY 63 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1t6r h THR 64 N 0.00 1.26 0.00 2.61 2.02 -0.74 -2.68 112.91 115.38 1t6r h THR 64 Ca 0.00 -0.97 -0.00 0.00 0.77 0.00 0.00 66.41 66.20 1t6r h THR 64 Cb 0.45 1.33 -0.00 0.00 -1.74 0.00 0.00 68.15 68.20 1t6r h THR 64 CO 0.00 0.31 -0.02 -0.07 0.37 0.00 0.00 175.52 176.11 1t6r h LEU 65 N 0.29 0.00 -0.58 2.58 3.38 -1.35 0.14 115.31 119.78 1t6r h LEU 65 Ca 0.08 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.94 1t6r h LEU 65 Cb 0.46 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 1t6r h LEU 65 CO 0.02 0.02 -0.08 0.58 0.09 0.00 0.00 178.44 179.06 1t6r h VAL 66 N 0.00 1.27 -0.30 1.22 2.07 -1.59 -0.52 116.25 118.41 1t6r h VAL 66 Ca -0.00 -1.24 0.02 0.00 0.82 0.00 0.00 66.70 66.29 1t6r h VAL 66 Cb 0.04 0.92 -0.02 0.00 -1.52 0.00 0.00 31.29 30.70 1t6r h VAL 66 CO 0.00 0.44 0.16 0.58 0.02 0.00 0.00 177.57 178.78 1t6r h VAL 67 N 0.94 1.01 -0.79 2.57 2.07 -0.48 -2.35 116.25 119.22 1t6r h VAL 67 Ca 0.15 -0.11 -0.02 0.00 0.82 0.00 0.00 66.70 67.54 1t6r h VAL 67 Cb 0.65 0.65 -0.04 0.00 -1.52 0.00 0.00 31.29 31.03 1t6r h VAL 67 CO 0.05 0.06 0.42 0.40 0.02 0.00 0.00 177.57 178.51 1t6r h ILE 68 N 0.33 1.24 0.20 4.57 1.08 -0.64 -1.52 117.51 122.77 1t6r h ILE 68 Ca 0.12 -0.60 -0.00 0.00 -0.39 0.00 0.00 64.86 63.99 1t6r h ILE 68 Cb 0.02 0.19 -0.01 0.00 -3.07 0.00 0.00 36.82 33.95 1t6r h ILE 68 CO -0.07 0.27 -0.17 0.25 -0.69 0.00 0.00 178.15 177.74 1t6r h LEU 69 N 1.10 -0.43 -0.91 1.44 5.85 -0.95 -2.24 115.31 119.17 1t6r h LEU 69 Ca 0.28 0.04 0.16 0.00 0.84 0.00 0.00 57.88 59.20 1t6r h LEU 69 Cb 0.05 0.14 -0.10 0.00 0.37 0.00 0.00 40.66 41.12 1t6r h LEU 69 CO -0.04 -0.26 0.50 0.50 -0.34 0.00 0.00 178.44 178.80 1t6r h LYS 70 N -0.38 0.65 -0.31 1.25 3.64 -0.75 -0.15 116.57 120.51 1t6r h LYS 70 Ca -0.01 -0.04 -0.10 0.00 -1.27 0.00 0.00 60.65 59.23 1t6r h LYS 70 Cb 0.35 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.00 1t6r h LYS 70 CO -0.02 0.43 -0.23 0.22 -2.27 0.00 0.00 179.45 177.58 1t6r h ASP 71 N 0.67 0.61 -0.06 4.20 1.82 -1.07 0.69 116.42 123.29 1t6r h ASP 71 Ca 0.51 -0.21 0.03 0.00 -0.39 0.00 0.00 57.03 56.97 1t6r h ASP 71 Cb 0.75 -0.17 -0.04 0.00 0.68 0.00 0.00 39.33 40.55 1t6r h ASP 71 CO -0.37 0.84 -0.14 0.00 -1.61 0.00 0.00 179.24 177.95 1t6r h ALA 72 N 1.21 -0.11 -0.01 -0.78 0.00 -0.46 -0.59 119.26 118.52 1t6r h ALA 72 Ca 0.08 0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.86 1t6r h ALA 72 Cb 0.69 0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 1t6r h ALA 72 CO 0.05 -0.61 -0.72 0.87 0.00 0.00 0.00 179.25 178.84 1t6r h LYS 73 N -0.20 0.09 0.05 0.00 1.79 -0.88 0.33 116.57 117.75 1t6r h LYS 73 Ca 0.07 -0.08 0.03 0.00 -2.18 0.00 0.00 60.65 58.48 1t6r h LYS 73 Cb 0.29 0.02 -0.05 0.00 -1.58 0.00 0.00 32.23 30.91 1t6r h LYS 73 CO -0.18 0.77 -0.43 0.82 -1.08 0.00 0.00 179.45 179.35 1t6r h ILE 74 N 0.06 0.14 0.00 1.86 2.04 -0.79 -2.15 117.51 118.67 1t6r h ILE 74 Ca -0.02 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.84 1t6r h ILE 74 Cb 1.28 0.14 0.00 0.00 -0.74 0.00 0.00 36.82 37.50 1t6r h ILE 74 CO 0.10 0.00 0.00 0.59 0.00 0.00 0.00 178.15 178.84 1t6r n ASN 75 N -5.46 0.00 -1.06 1.72 3.02 -0.24 -4.92 115.26 108.32 1t6r n ASN 75 Ca -0.06 0.45 -0.06 0.00 -0.03 0.00 0.00 54.58 54.88 1t6r n ASN 75 Cb 0.38 -0.48 0.01 0.00 -0.61 0.00 0.00 39.78 39.08 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 0.65 0.39 1.75 7.41 0.00 0.63 -5.06 105.19 110.96 1t6r n GLY 76 Ca 0.06 -0.51 -0.15 0.00 0.00 0.00 0.00 46.02 45.41 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 -1.65 1.19 -3.41 1.61 2.85 0.82 -4.97 118.16 114.60 1t6r n LYS 77 Ca -0.03 -1.79 -0.21 0.00 -1.05 0.00 0.00 58.31 55.24 1t6r n LYS 77 Cb 0.53 0.63 -0.00 0.00 -0.65 0.00 0.00 35.03 35.54 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 -2.86 3.18 -0.27 -1.58 2.02 -0.43 -4.39 118.70 114.36 1t6r s GLU 78 Ca 0.03 -0.79 -0.02 0.00 0.02 0.00 0.00 54.97 54.21 1t6r s GLU 78 Cb 0.00 -2.75 0.16 0.00 0.10 0.00 0.00 34.13 31.64 1t6r s GLU 78 CO 0.02 0.04 0.50 0.12 0.02 0.00 0.00 175.26 175.96 1t6r s PHE 79 N -2.25 -1.25 0.08 1.61 5.36 -1.26 -3.99 117.98 116.27 1t6r s PHE 79 Ca 0.44 1.34 0.06 0.00 -0.96 0.00 0.00 56.93 57.81 1t6r s PHE 79 Cb -0.10 0.33 -0.03 0.00 -0.34 0.00 0.00 43.02 42.88 1t6r s PHE 79 CO 0.33 -0.80 -0.17 0.42 -1.46 0.00 0.00 175.22 173.54 1t6r s ILE 80 N 2.72 1.37 0.43 3.12 1.01 -0.45 -4.53 121.20 124.88 1t6r s ILE 80 Ca 0.17 -1.36 0.08 0.00 0.00 0.00 0.00 60.65 59.53 1t6r s ILE 80 Cb -0.15 -1.27 -0.02 0.00 0.01 0.00 0.00 42.46 41.03 1t6r s ILE 80 CO -0.19 -0.11 0.37 -0.76 0.00 0.00 0.00 174.94 174.25 1t6r s LEU 81 N -1.71 3.32 -0.07 2.97 1.43 -1.23 -0.53 118.68 122.86 1t6r s LEU 81 Ca 0.02 -0.81 -0.30 0.00 -1.03 0.00 0.00 54.13 52.02 1t6r s LEU 81 Cb -0.10 -1.94 0.11 0.00 0.03 0.00 0.00 46.19 44.29 1t6r s LEU 81 CO 0.03 -0.68 0.96 -0.55 0.23 0.00 0.00 176.35 176.34 1t6r s SER 82 N -4.13 -0.34 -1.39 2.29 0.15 0.16 -1.05 113.70 109.39 1t6r s SER 82 Ca 0.47 0.12 -0.03 0.00 0.70 0.00 0.00 55.95 57.21 1t6r s SER 82 Cb -0.02 0.33 0.02 0.00 -1.71 0.00 0.00 66.02 64.64 1t6r s SER 82 CO 0.27 -0.49 0.66 -1.20 1.20 0.00 0.00 173.24 173.68 1t6r n SER 83 N 0.07 -1.55 -4.67 5.45 7.64 -1.05 -0.97 113.62 118.54 1t6r n SER 83 Ca -0.08 -0.88 -0.45 0.00 1.01 0.00 0.00 58.87 58.47 1t6r n SER 83 Cb 0.60 -3.66 -0.03 0.00 -1.01 0.00 0.00 64.21 60.11 1t6r n SER 83 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1t6r n LEU 84 N -4.38 3.04 -4.91 -3.43 4.32 -1.26 -2.17 117.00 108.21 1t6r n LEU 84 Ca -0.23 1.13 -0.28 0.00 -0.02 0.00 0.00 56.01 56.61 1t6r n LEU 84 Cb 0.65 -1.42 -0.01 0.00 -1.62 0.00 0.00 43.42 41.02 1t6r n LEU 84 CO 0.72 -0.48 0.42 -0.54 -1.22 0.00 0.00 177.39 176.29 1t6r s LYS 85 N -0.13 3.57 0.27 3.23 1.02 -1.26 -4.80 119.74 121.63 1t6r s LYS 85 Ca 0.71 0.19 0.00 0.00 0.02 0.00 0.00 55.97 56.89 1t6r s LYS 85 Cb -0.67 -2.41 0.61 0.00 -0.52 0.00 0.00 37.83 34.85 1t6r s LYS 85 CO 0.47 -0.15 1.71 0.93 -0.92 0.00 0.00 175.35 177.40 1t6r h GLU 86 N 0.43 0.41 0.11 1.68 5.08 -1.96 0.41 114.58 120.75 1t6r h GLU 86 Ca -0.47 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 57.86 1t6r h GLU 86 Cb 1.20 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.36 1t6r h GLU 86 CO 0.62 0.27 -0.05 0.77 -1.00 0.00 0.00 179.01 179.62 1t6r h SER 87 N 0.43 -0.12 -0.28 1.42 0.02 -1.95 -3.04 113.55 110.03 1t6r h SER 87 Ca 0.50 0.00 0.05 0.00 -0.84 0.00 0.00 61.79 61.50 1t6r h SER 87 Cb 0.86 0.03 -0.08 0.00 0.14 0.00 0.00 62.40 63.36 1t6r h SER 87 CO -0.48 -0.07 -0.50 0.40 -1.14 0.00 0.00 176.83 175.05 1t6r h ILE 88 N -0.19 0.05 -0.91 3.27 1.08 -1.60 -1.14 117.51 118.06 1t6r h ILE 88 Ca -0.02 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.54 1t6r h ILE 88 Cb 0.11 0.05 -0.11 0.00 -3.07 0.00 0.00 36.82 33.80 1t6r h ILE 88 CO 0.02 0.00 -0.54 -0.24 -0.69 0.00 0.00 178.15 176.71 1t6r n SER 89 N -5.42 -0.97 0.05 1.72 2.88 0.14 -2.11 113.62 109.92 1t6r n SER 89 Ca -0.04 1.66 -0.12 0.00 -1.33 0.00 0.00 58.87 59.04 1t6r n SER 89 Cb 0.36 -0.22 -0.06 0.00 -0.75 0.00 0.00 64.21 63.53 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 -0.08 -0.92 -1.46 2.43 -1.09 -1.89 114.38 111.37 1t6r h ARG 90 Ca 0.15 0.01 0.22 0.00 -0.81 0.00 0.00 59.98 59.54 1t6r h ARG 90 Cb 0.37 0.02 -0.07 0.00 -0.42 0.00 0.00 29.97 29.88 1t6r h ARG 90 CO -0.86 -0.05 0.61 0.82 -1.51 0.00 0.00 179.97 178.98 1t6r h ILE 91 N -0.09 0.64 -0.16 1.20 2.04 -0.99 0.12 117.51 120.29 1t6r h ILE 91 Ca 0.01 -0.12 -0.08 0.00 1.00 0.00 0.00 64.86 65.67 1t6r h ILE 91 Cb 0.10 0.26 -0.00 0.00 -0.74 0.00 0.00 36.82 36.44 1t6r h ILE 91 CO -0.03 0.06 -0.22 -0.07 0.00 0.00 0.00 178.15 177.89 1t6r h LEU 92 N 0.35 0.47 -1.62 1.44 3.38 -0.82 -2.67 115.31 115.84 1t6r h LEU 92 Ca 0.48 -0.52 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1t6r h LEU 92 Cb 1.28 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.90 1t6r h LEU 92 CO -0.17 0.89 0.00 0.11 0.09 0.00 0.00 178.44 179.37 1t6r h LYS 93 N 0.06 0.00 0.57 1.13 6.56 -0.45 0.13 116.57 124.56 1t6r h LYS 93 Ca 0.02 0.00 -0.03 0.00 -1.06 0.00 0.00 60.65 59.58 1t6r h LYS 93 Cb 0.79 0.00 0.01 0.00 -0.57 0.00 0.00 32.23 32.45 1t6r h LYS 93 CO 0.05 0.00 -0.27 -0.07 -2.06 0.00 0.00 179.45 177.10 1t6r h LEU 94 N 0.00 -0.64 -1.38 2.94 3.38 -0.62 -2.21 115.31 116.78 1t6r h LEU 94 Ca 0.00 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1t6r h LEU 94 Cb 0.30 0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.22 1t6r h LEU 94 CO 0.00 -0.43 0.01 0.41 0.09 0.00 0.00 178.44 178.52 1t6r n THR 95 N -4.20 0.39 -4.33 0.22 -1.04 -1.24 -4.85 114.28 99.23 1t6r n THR 95 Ca -0.09 -0.09 -0.38 0.00 -2.04 0.00 0.00 64.05 61.45 1t6r n THR 95 Cb 0.30 -0.60 -0.08 0.00 -1.82 0.00 0.00 70.33 68.13 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 0.13 -1.11 0.26 -1.42 8.25 -0.83 -4.82 115.22 115.67 1t6r n HIS 96 Ca 0.02 0.63 0.12 0.00 -0.26 0.00 0.00 57.72 58.23 1t6r n HIS 96 Cb 0.37 -1.95 0.68 0.00 1.12 0.00 0.00 29.99 30.21 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 -1.00 0.00 -0.92 2.41 3.38 -1.00 -2.82 115.31 115.36 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 1.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.06 1t6r h LEU 97 CO 0.80 0.14 0.00 -0.90 0.09 0.00 0.00 178.44 178.57 1t6r n ASP 98 N -3.56 0.52 -0.53 -0.43 5.75 -1.18 -0.44 116.55 116.68 1t6r n ASP 98 Ca -0.01 0.68 0.05 0.00 -0.01 0.00 0.00 54.79 55.50 1t6r n ASP 98 Cb 0.28 -0.77 0.12 0.00 -1.03 0.00 0.00 41.12 39.72 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 -2.14 2.60 -0.01 0.11 2.85 -1.06 -3.31 118.16 117.20 1t6r n LYS 99 Ca 0.00 -1.87 -0.01 0.00 -1.05 0.00 0.00 58.31 55.38 1t6r n LYS 99 Cb 0.12 -1.23 -0.00 0.00 -0.65 0.00 0.00 35.03 33.27 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 0.40 0.32 1.75 0.58 5.41 -0.29 -4.65 119.36 122.88 1t6r n ILE 100 Ca 0.10 0.33 0.00 0.00 1.00 0.00 0.00 62.75 64.17 1t6r n ILE 100 Cb 0.38 -1.53 0.01 0.00 -0.71 0.00 0.00 39.64 37.79 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 -2.88 0.04 -2.94 1.39 3.72 0.42 -5.02 117.46 112.18 1t6r n PHE 101 Ca -0.02 -0.02 0.00 0.00 -0.05 0.00 0.00 57.45 57.36 1t6r n PHE 101 Cb 0.08 -0.02 0.00 0.00 -0.94 0.00 0.00 39.48 38.60 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 -0.35 0.00 -3.51 -1.08 4.81 -1.21 -3.50 118.16 113.32 1t6r n LYS 102 Ca 0.01 0.00 -0.10 0.00 -0.87 0.00 0.00 58.31 57.34 1t6r n LYS 102 Cb 0.07 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.08 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 0.02 3.15 1.01 -1.22 -4.26 121.20 119.90 1t6r s ILE 103 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 60.65 60.66 1t6r s ILE 103 Cb 0.00 -1.00 -0.02 0.00 0.01 0.00 0.00 42.46 41.45 1t6r s ILE 103 CO 0.00 0.00 -0.05 0.42 0.00 0.00 0.00 174.94 175.31 1t6r s THR 104 N -2.44 0.36 0.05 2.92 -4.23 -0.22 -4.93 115.64 107.14 1t6r s THR 104 Ca 0.01 -0.71 -0.20 0.00 -1.18 0.00 0.00 61.69 59.61 1t6r s THR 104 Cb -0.01 -0.40 -0.14 0.00 1.34 0.00 0.00 72.50 73.29 1t6r s THR 104 CO -0.04 -0.24 1.37 0.44 -0.54 0.00 0.00 174.62 175.60 1t6r h ASP 105 N 5.09 0.39 -5.39 3.99 3.32 -1.94 -3.06 116.42 118.82 1t6r h ASP 105 Ca -0.32 -0.46 -0.17 0.00 0.02 0.00 0.00 57.03 56.11 1t6r h ASP 105 Cb 1.20 -0.11 -0.15 0.00 0.22 0.00 0.00 39.33 40.50 1t6r h ASP 105 CO 0.44 0.76 -0.61 0.42 -1.72 0.00 0.00 179.24 178.54 1t6r s THR 106 N -4.40 0.11 0.42 0.35 -4.23 -1.26 -2.53 115.64 104.10 1t6r s THR 106 Ca -0.14 -1.83 0.25 0.00 -1.18 0.00 0.00 61.69 58.80 1t6r s THR 106 Cb 0.05 -1.97 0.44 0.00 1.34 0.00 0.00 72.50 72.37 1t6r s THR 106 CO 0.75 -0.49 1.67 -0.37 -0.54 0.00 0.00 174.62 175.64 1t6r h VAL 107 N 2.85 0.24 0.00 2.29 -1.51 -1.98 0.69 116.25 118.83 1t6r h VAL 107 Ca -0.35 -0.06 -0.01 0.00 -1.23 0.00 0.00 66.70 65.06 1t6r h VAL 107 Cb 1.20 0.04 -0.00 0.00 -2.13 0.00 0.00 31.29 30.40 1t6r h VAL 107 CO 0.58 0.03 -0.03 -0.33 -1.23 0.00 0.00 177.57 176.60 1t6r h GLU 108 N 0.18 0.00 -0.01 5.19 4.39 -2.01 -2.10 114.58 120.22 1t6r h GLU 108 Ca 0.75 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.45 1t6r h GLU 108 Cb 2.20 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.85 1t6r h GLU 108 CO -0.41 0.03 -0.03 -1.91 -1.16 0.00 0.00 179.01 175.53 1t6r n GLU 109 N -4.16 1.44 0.00 2.33 2.13 0.23 -5.14 120.64 117.47 1t6r n GLU 109 Ca -0.03 -0.73 0.12 0.00 0.66 0.00 0.00 57.16 57.18 1t6r n GLU 109 Cb 0.11 -1.48 0.10 0.00 0.27 0.00 0.00 31.44 30.43 1t6r n GLU 109 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72