#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u3h s VAL 4 N 0.00 3.09 0.12 0.00 1.01 -1.26 -3.76 120.40 119.60 1u3h s VAL 4 Ca 0.00 -0.66 0.08 0.00 0.00 0.00 0.00 61.98 61.40 1u3h s VAL 4 Cb 0.00 -2.28 -0.04 0.00 0.00 0.00 0.00 36.38 34.06 1u3h s VAL 4 CO 0.00 0.54 -0.13 -0.89 0.00 0.00 0.00 175.10 174.61 1u3h s THR 5 N 0.14 3.13 -0.03 3.92 2.01 0.33 -4.34 115.64 120.80 1u3h s THR 5 Ca -0.07 -1.43 0.02 0.00 0.31 0.00 0.00 61.69 60.53 1u3h s THR 5 Cb -0.15 -2.47 0.01 0.00 0.01 0.00 0.00 72.50 69.90 1u3h s THR 5 CO 0.05 0.07 -0.07 -1.10 -0.69 0.00 0.00 174.62 172.87 1u3h s GLN 6 N -2.29 0.94 0.00 4.92 -0.21 -1.26 -0.30 119.66 121.46 1u3h s GLN 6 Ca 0.21 -0.23 0.00 0.00 0.02 0.00 0.00 55.36 55.35 1u3h s GLN 6 Cb -0.10 -0.89 0.00 0.00 1.00 0.00 0.00 33.01 33.02 1u3h s GLN 6 CO 0.13 0.03 0.65 -1.13 -2.12 0.00 0.00 175.29 172.85 1u3h n SER 7 N 3.60 0.00 -4.64 5.90 3.41 0.48 -4.32 113.62 118.05 1u3h n SER 7 Ca -0.21 0.65 -0.43 0.00 -0.26 0.00 0.00 58.87 58.62 1u3h n SER 7 Cb 0.53 -0.15 -0.02 0.00 -0.26 0.00 0.00 64.21 64.31 1u3h n SER 7 CO 0.00 0.00 0.00 -2.84 -0.16 0.00 0.00 175.04 172.04 1u3h s PRO 8 N -1.60 4.07 0.07 4.33 0.02 -1.26 -4.81 135.00 135.82 1u3h s PRO 8 Ca 0.00 1.44 0.27 0.00 0.02 0.00 0.00 61.00 62.73 1u3h s PRO 8 Cb 0.00 -3.82 0.94 0.00 0.02 0.00 0.00 34.50 31.64 1u3h s PRO 8 CO 0.00 -0.92 1.77 -2.13 -0.33 0.00 0.00 177.00 175.38 1u3h n ARG 9 N 6.97 0.11 -3.57 5.54 0.00 -1.26 -4.72 116.66 119.73 1u3h n ARG 9 Ca 0.14 0.07 -0.02 0.00 -0.00 0.00 0.00 57.85 58.05 1u3h n ARG 9 Cb 0.46 -1.61 -0.06 0.00 0.00 0.00 0.00 32.46 31.25 1u3h n ARG 9 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.63 178.84 1u3h s ASN 10 N -3.57 -0.66 -0.05 6.15 3.84 -1.26 -3.53 114.94 115.86 1u3h s ASN 10 Ca 0.12 0.99 -0.05 0.00 0.21 0.00 0.00 52.86 54.13 1u3h s ASN 10 Cb 0.16 1.49 0.01 0.00 -0.55 0.00 0.00 41.25 42.36 1u3h s ASN 10 CO 0.59 -0.15 0.15 -0.75 -2.79 0.00 0.00 177.10 174.14 1u3h s LYS 11 N 1.88 0.21 -0.18 0.43 2.36 -0.87 -4.99 119.74 118.58 1u3h s LYS 11 Ca -0.07 0.13 0.00 0.00 -2.55 0.00 0.00 55.97 53.49 1u3h s LYS 11 Cb -0.05 0.10 0.04 0.00 -1.05 0.00 0.00 37.83 36.86 1u3h s LYS 11 CO -0.17 -0.03 -0.09 0.08 1.55 0.00 0.00 175.35 176.69 1u3h s VAL 12 N -0.09 1.42 0.36 4.02 1.01 -1.26 -2.59 120.40 123.27 1u3h s VAL 12 Ca -0.02 -0.80 0.01 0.00 0.00 0.00 0.00 61.98 61.17 1u3h s VAL 12 Cb -0.02 -1.51 -0.00 0.00 0.00 0.00 0.00 36.38 34.85 1u3h s VAL 12 CO 0.00 0.19 0.03 0.00 0.00 0.00 0.00 175.10 175.33 1u3h n ALA 13 N 4.77 0.36 -2.47 5.51 0.00 -0.11 -4.99 120.51 123.58 1u3h n ALA 13 Ca -0.14 -1.68 -0.28 0.00 0.00 0.00 0.00 53.44 51.35 1u3h n ALA 13 Cb 0.47 0.97 -0.11 0.00 0.00 0.00 0.00 19.45 20.79 1u3h n ALA 13 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1u3h s VAL 14 N -2.47 2.69 0.13 0.00 1.01 -1.23 -3.88 120.40 116.65 1u3h s VAL 14 Ca 0.04 -1.75 -0.35 0.00 0.00 0.00 0.00 61.98 59.92 1u3h s VAL 14 Cb 0.00 -2.27 -0.16 0.00 0.00 0.00 0.00 36.38 33.95 1u3h s VAL 14 CO 0.03 -0.03 1.24 0.41 0.00 0.00 0.00 175.10 176.75 1u3h n THR 15 N 0.44 0.47 0.00 3.92 -1.04 -1.20 -0.69 114.28 116.18 1u3h n THR 15 Ca -0.14 -0.12 0.00 0.00 -2.04 0.00 0.00 64.05 61.76 1u3h n THR 15 Cb 0.54 -0.81 0.00 0.00 -1.82 0.00 0.00 70.33 68.25 1u3h n THR 15 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1u3h n GLY 16 N 2.24 3.16 3.74 3.41 0.00 -0.91 -4.90 105.19 111.92 1u3h n GLY 16 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 1u3h n GLY 16 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1u3h s GLU 17 N -0.42 2.45 -1.05 1.61 2.12 0.13 -4.25 118.70 119.28 1u3h s GLU 17 Ca 0.00 1.76 -0.12 0.00 0.36 0.00 0.00 54.97 56.97 1u3h s GLU 17 Cb 0.00 -1.87 0.22 0.00 0.26 0.00 0.00 34.13 32.74 1u3h s GLU 17 CO 0.00 -1.60 1.12 0.21 -0.54 0.00 0.00 175.26 174.45 1u3h s LYS 18 N -3.75 3.98 0.32 4.30 2.20 -1.26 -1.32 119.74 124.21 1u3h s LYS 18 Ca 0.75 -2.75 -0.27 0.00 -0.36 0.00 0.00 55.97 53.34 1u3h s LYS 18 Cb -0.29 -4.69 -0.09 0.00 -1.51 0.00 0.00 37.83 31.25 1u3h s LYS 18 CO 0.41 -1.43 1.03 0.08 -0.36 0.00 0.00 175.35 175.08 1u3h s VAL 19 N 0.14 3.80 -0.30 4.02 1.01 -0.88 -4.88 120.40 123.30 1u3h s VAL 19 Ca 0.31 1.62 -0.03 0.00 0.00 0.00 0.00 61.98 63.88 1u3h s VAL 19 Cb -0.08 -3.95 0.11 0.00 0.00 0.00 0.00 36.38 32.46 1u3h s VAL 19 CO -0.06 0.24 0.16 -0.89 0.00 0.00 0.00 175.10 174.55 1u3h s THR 20 N -1.40 -0.07 0.11 3.92 2.01 -1.26 -1.00 115.64 117.96 1u3h s THR 20 Ca 0.49 -0.90 -0.24 0.00 0.31 0.00 0.00 61.69 61.35 1u3h s THR 20 Cb -0.25 -1.00 -0.07 0.00 0.01 0.00 0.00 72.50 71.19 1u3h s THR 20 CO 0.32 -0.75 0.72 -0.76 -0.69 0.00 0.00 174.62 173.46 1u3h s LEU 21 N 1.94 4.54 0.22 4.42 1.02 -0.64 -4.84 118.68 125.34 1u3h s LEU 21 Ca 0.11 1.49 0.09 0.00 0.02 0.00 0.00 54.13 55.84 1u3h s LEU 21 Cb -0.17 -3.17 -0.05 0.00 0.02 0.00 0.00 46.19 42.82 1u3h s LEU 21 CO -0.30 0.18 -0.17 -0.94 0.02 0.00 0.00 176.35 175.14 1u3h s SER 22 N -0.85 2.88 0.17 2.29 1.04 -1.26 -0.49 113.70 117.49 1u3h s SER 22 Ca 0.35 -0.99 0.05 0.00 0.48 0.00 0.00 55.95 55.84 1u3h s SER 22 Cb -0.21 -0.19 -0.05 0.00 0.10 0.00 0.00 66.02 65.67 1u3h s SER 22 CO 0.23 -0.08 -0.09 0.00 0.98 0.00 0.00 173.24 174.29 1u3h s ASN 24 N -3.20 -0.30 -0.03 0.00 2.47 0.58 -2.94 114.94 111.52 1u3h s ASN 24 Ca 0.19 0.58 -0.00 0.00 0.42 0.00 0.00 52.86 54.05 1u3h s ASN 24 Cb 0.03 0.54 0.03 0.00 -1.45 0.00 0.00 41.25 40.39 1u3h s ASN 24 CO 0.02 -0.13 0.02 0.00 -3.72 0.00 0.00 177.10 173.29 1u3h s GLN 25 N 0.59 0.19 0.04 0.43 1.03 -0.69 -0.51 119.66 120.74 1u3h s GLN 25 Ca -0.04 0.15 0.23 0.00 0.04 0.00 0.00 55.36 55.74 1u3h s GLN 25 Cb -0.05 -0.47 0.05 0.00 0.03 0.00 0.00 33.01 32.57 1u3h s GLN 25 CO -0.03 -0.18 1.04 2.41 -2.54 0.00 0.00 175.29 175.98 1u3h n THR 26 N 4.39 0.14 0.00 3.63 -1.04 -1.25 -4.21 114.28 115.94 1u3h n THR 26 Ca -0.22 -0.21 0.00 0.00 -2.04 0.00 0.00 64.05 61.58 1u3h n THR 26 Cb 0.50 0.27 0.00 0.00 -1.82 0.00 0.00 70.33 69.28 1u3h n THR 26 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1u3h n ASN 27 N -1.89 0.00 -3.61 8.00 3.02 -1.26 -4.78 115.26 114.73 1u3h n ASN 27 Ca 0.02 0.36 -0.22 0.00 -0.03 0.00 0.00 54.58 54.71 1u3h n ASN 27 Cb 0.42 -0.36 0.07 0.00 -0.61 0.00 0.00 39.78 39.30 1u3h n ASN 27 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1u3h n ASN 28 N -1.35 -3.75 -4.90 6.41 2.85 -1.26 -4.98 115.26 108.28 1u3h n ASN 28 Ca 0.00 -0.65 -0.28 0.00 -0.11 0.00 0.00 54.58 53.53 1u3h n ASN 28 Cb 0.11 -4.71 -0.03 0.00 1.24 0.00 0.00 39.78 36.39 1u3h n ASN 28 CO 0.00 0.00 0.00 -1.00 -2.11 0.00 0.00 177.26 174.15 1u3h s HIS 29 N -3.39 3.49 -0.02 1.20 3.76 -1.26 -5.02 115.29 114.04 1u3h s HIS 29 Ca 0.30 0.72 -0.08 0.00 -0.15 0.00 0.00 55.06 55.85 1u3h s HIS 29 Cb -0.14 -2.18 -0.30 0.00 1.11 0.00 0.00 32.58 31.07 1u3h s HIS 29 CO 0.76 0.05 0.78 -0.91 -0.85 0.00 0.00 174.74 174.56 1u3h h ASN 30 N 1.31 0.54 -3.12 1.40 4.21 -1.85 -3.47 115.58 114.60 1u3h h ASN 30 Ca -0.48 -0.76 -0.59 0.00 1.21 0.00 0.00 56.30 55.68 1u3h h ASN 30 Cb 1.19 -0.18 -0.05 0.00 -1.12 0.00 0.00 38.32 38.17 1u3h h ASN 30 CO 0.65 1.64 -0.19 0.20 -1.29 0.00 0.00 177.43 178.43 1u3h s ASN 31 N -7.18 6.75 -0.02 5.81 -0.87 -0.63 -2.54 114.94 116.26 1u3h s ASN 31 Ca -0.12 0.92 -0.02 0.00 -1.57 0.00 0.00 52.86 52.07 1u3h s ASN 31 Cb 0.06 -2.23 0.00 0.00 -0.02 0.00 0.00 41.25 39.06 1u3h s ASN 31 CO 0.86 0.21 0.06 -0.04 -2.57 0.00 0.00 177.10 175.62 1u3h s MET 32 N -1.61 0.09 0.10 -0.60 -1.94 -0.96 -1.43 119.30 112.95 1u3h s MET 32 Ca 0.31 0.04 0.04 0.00 -1.71 0.00 0.00 55.69 54.36 1u3h s MET 32 Cb -0.15 0.04 -0.04 0.00 2.01 0.00 0.00 34.83 36.69 1u3h s MET 32 CO 0.17 -0.01 -0.10 0.71 -0.01 0.00 0.00 175.02 175.78 1u3h s TYR 33 N -0.08 1.05 -0.13 -0.03 1.51 0.60 -0.55 117.35 119.73 1u3h s TYR 33 Ca -0.01 -0.68 0.00 0.00 -1.01 0.00 0.00 57.07 55.38 1u3h s TYR 33 Cb -0.01 -0.57 0.02 0.00 -0.11 0.00 0.00 41.96 41.29 1u3h s TYR 33 CO 0.00 -0.01 -0.12 -1.58 -1.11 0.00 0.00 175.55 172.73 1u3h s TRP 34 N -2.55 1.88 0.31 2.71 0.52 -0.04 -0.77 118.94 121.01 1u3h s TRP 34 Ca 0.06 -1.00 0.01 0.00 0.02 0.00 0.00 56.10 55.19 1u3h s TRP 34 Cb -0.02 -1.44 0.01 0.00 -1.15 0.00 0.00 33.47 30.87 1u3h s TRP 34 CO -0.00 -0.59 0.05 0.66 0.02 0.00 0.00 176.95 177.09 1u3h n TYR 35 N 4.76 0.37 -3.65 -1.98 4.02 0.72 -0.06 117.16 121.34 1u3h n TYR 35 Ca -0.16 -1.48 -0.05 0.00 -0.01 0.00 0.00 57.90 56.20 1u3h n TYR 35 Cb 0.50 -0.22 -0.06 0.00 -0.02 0.00 0.00 39.34 39.54 1u3h n TYR 35 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 176.86 174.87 1u3h s ARG 36 N -3.15 0.61 -0.15 -0.72 1.70 -1.12 -2.62 118.95 113.50 1u3h s ARG 36 Ca 0.04 1.27 -0.12 0.00 -0.47 0.00 0.00 55.73 56.45 1u3h s ARG 36 Cb -0.00 0.42 -0.05 0.00 -0.57 0.00 0.00 34.95 34.75 1u3h s ARG 36 CO 0.02 -0.18 0.25 -1.14 -1.08 0.00 0.00 175.30 173.18 1u3h s GLN 37 N 2.15 4.11 -0.07 3.89 0.74 -0.05 -3.00 119.66 127.43 1u3h s GLN 37 Ca -0.08 0.03 -0.05 0.00 0.05 0.00 0.00 55.36 55.31 1u3h s GLN 37 Cb -0.08 -3.38 0.03 0.00 1.10 0.00 0.00 33.01 30.68 1u3h s GLN 37 CO -0.19 0.36 0.18 -0.51 -0.55 0.00 0.00 175.29 174.58 1u3h s ASP 38 N 0.13 -0.18 -0.26 6.67 1.01 -1.04 -3.77 116.67 119.23 1u3h s ASP 38 Ca 0.15 0.37 -0.37 0.00 0.71 0.00 0.00 52.55 53.41 1u3h s ASP 38 Cb -0.13 0.31 -0.13 0.00 1.01 0.00 0.00 42.92 43.98 1u3h s ASP 38 CO 0.03 -0.11 1.93 0.41 0.21 0.00 0.00 175.17 177.65 1u3h n THR 39 N 3.64 0.33 0.00 -1.27 -1.04 -1.26 -0.21 114.28 114.48 1u3h n THR 39 Ca -0.20 -0.13 0.00 0.00 -2.04 0.00 0.00 64.05 61.68 1u3h n THR 39 Cb 0.55 -1.51 0.00 0.00 -1.82 0.00 0.00 70.33 67.55 1u3h n THR 39 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1u3h n GLY 40 N 5.09 0.42 0.00 3.41 0.00 -1.26 -4.87 105.19 107.98 1u3h n GLY 40 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.33 1u3h n GLY 40 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1u3h n HIS 41 N -1.80 0.00 -0.63 1.61 -0.00 0.71 -5.11 115.22 110.00 1u3h n HIS 41 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 1u3h n HIS 41 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 1u3h n HIS 41 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1u3h n GLY 42 N 0.16 3.46 3.77 -1.41 0.00 -0.91 -4.45 105.19 105.82 1u3h n GLY 42 Ca 0.00 -0.13 -0.36 0.00 0.00 0.00 0.00 46.02 45.53 1u3h n GLY 42 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1u3h s LEU 43 N 0.00 4.30 -0.11 0.99 2.01 -1.26 -2.50 118.68 122.10 1u3h s LEU 43 Ca 0.00 0.52 -0.00 0.00 0.01 0.00 0.00 54.13 54.66 1u3h s LEU 43 Cb 0.00 -2.31 0.02 0.00 0.01 0.00 0.00 46.19 43.92 1u3h s LEU 43 CO 0.00 0.20 -0.08 -0.13 1.01 0.00 0.00 176.35 177.35 1u3h s ARG 44 N -0.03 1.54 0.23 1.70 0.52 -1.16 -4.97 118.95 116.78 1u3h s ARG 44 Ca 0.16 -0.26 -0.30 0.00 -0.52 0.00 0.00 55.73 54.81 1u3h s ARG 44 Cb -0.13 -1.58 -0.09 0.00 0.52 0.00 0.00 34.95 33.67 1u3h s ARG 44 CO 0.04 -0.25 1.32 -1.17 0.02 0.00 0.00 175.30 175.26 1u3h s LEU 45 N 1.65 4.42 -0.11 2.53 2.96 -1.26 -2.79 118.68 126.07 1u3h s LEU 45 Ca 0.04 2.48 -0.10 0.00 -0.22 0.00 0.00 54.13 56.33 1u3h s LEU 45 Cb -0.13 -3.62 -0.05 0.00 0.50 0.00 0.00 46.19 42.89 1u3h s LEU 45 CO -0.08 -0.54 -0.21 -0.38 -1.32 0.00 0.00 176.35 173.83 1u3h n ILE 46 N 2.25 1.17 -3.78 6.68 5.41 0.91 -0.45 119.36 131.55 1u3h n ILE 46 Ca 0.05 0.03 -0.13 0.00 1.00 0.00 0.00 62.75 63.70 1u3h n ILE 46 Cb 0.42 -1.90 -0.09 0.00 -0.71 0.00 0.00 39.64 37.37 1u3h n ILE 46 CO 0.00 0.00 0.00 -0.31 0.00 0.00 0.00 176.55 176.24 1u3h s TYR 47 N -2.43 -0.14 0.27 1.39 1.51 -1.21 -0.40 117.35 116.34 1u3h s TYR 47 Ca -0.20 0.19 -0.04 0.00 -1.01 0.00 0.00 57.07 56.01 1u3h s TYR 47 Cb 0.05 0.07 -0.02 0.00 -0.11 0.00 0.00 41.96 41.96 1u3h s TYR 47 CO 0.27 -0.37 0.36 1.52 -1.11 0.00 0.00 175.55 176.22 1u3h s TYR 48 N -1.35 0.96 -0.01 2.71 1.13 -0.64 -0.86 117.35 119.30 1u3h s TYR 48 Ca -0.14 -1.19 -0.09 0.00 -1.41 0.00 0.00 57.07 54.24 1u3h s TYR 48 Cb -0.06 -0.21 0.01 0.00 -1.10 0.00 0.00 41.96 40.60 1u3h s TYR 48 CO 0.04 -0.92 0.19 0.45 -2.51 0.00 0.00 175.55 172.79 1u3h s SER 49 N -3.17 -0.06 0.00 -0.18 0.15 0.29 -0.68 113.70 110.06 1u3h s SER 49 Ca 0.32 -0.04 0.20 0.00 0.70 0.00 0.00 55.95 57.12 1u3h s SER 49 Cb 0.02 0.26 0.69 0.00 -1.71 0.00 0.00 66.02 65.28 1u3h s SER 49 CO 0.15 -0.34 1.51 -1.22 1.20 0.00 0.00 173.24 174.54 1u3h n TYR 50 N 1.66 0.25 -2.86 3.44 4.01 -1.26 -2.27 117.16 120.13 1u3h n TYR 50 Ca -0.21 -0.13 -0.00 0.00 -0.16 0.00 0.00 57.90 57.40 1u3h n TYR 50 Cb 0.56 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.59 1u3h n TYR 50 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1u3h n GLY 51 N 1.13 -1.13 1.64 2.72 0.00 -1.05 -4.57 105.19 103.93 1u3h n GLY 51 Ca 0.16 0.43 0.00 0.00 0.00 0.00 0.00 46.02 46.61 1u3h n GLY 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u3h n ALA 52 N -1.59 3.00 -2.68 4.61 0.00 -1.26 -4.61 120.51 117.97 1u3h n ALA 52 Ca 0.01 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.42 1u3h n ALA 52 Cb 0.49 0.01 0.12 0.00 0.00 0.00 0.00 19.45 20.08 1u3h n ALA 52 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1u3h n GLY 53 N 2.23 1.93 3.89 0.00 0.00 -1.22 -3.77 105.19 108.25 1u3h n GLY 53 Ca 0.00 -0.22 -0.29 0.00 0.00 0.00 0.00 46.02 45.51 1u3h n GLY 53 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1u3h s SER 54 N -1.29 6.14 -0.29 1.61 0.15 -1.26 -4.98 113.70 113.78 1u3h s SER 54 Ca 0.12 0.16 -0.15 0.00 0.70 0.00 0.00 55.95 56.78 1u3h s SER 54 Cb 0.44 -1.82 0.10 0.00 -1.71 0.00 0.00 66.02 63.03 1u3h s SER 54 CO -0.12 0.13 0.73 -0.89 1.20 0.00 0.00 173.24 174.29 1u3h s THR 55 N -1.58 -0.25 0.02 6.45 2.01 -1.26 -4.36 115.64 116.68 1u3h s THR 55 Ca 0.34 0.00 0.01 0.00 0.31 0.00 0.00 61.69 62.35 1u3h s THR 55 Cb -0.12 -1.00 -0.01 0.00 0.01 0.00 0.00 72.50 71.38 1u3h s THR 55 CO 0.27 0.00 -0.05 -1.61 -0.69 0.00 0.00 174.62 172.54 1u3h s GLU 56 N 1.92 0.39 0.21 4.92 0.41 0.14 -4.99 118.70 121.70 1u3h s GLU 56 Ca -0.09 -0.44 -0.30 0.00 -0.41 0.00 0.00 54.97 53.73 1u3h s GLU 56 Cb -0.06 -0.23 -0.08 0.00 -1.78 0.00 0.00 34.13 31.97 1u3h s GLU 56 CO -0.19 0.05 1.03 0.15 -0.49 0.00 0.00 175.26 175.80 1u3h s LYS 57 N -0.86 4.71 0.00 1.61 1.02 -1.26 -1.62 119.74 123.33 1u3h s LYS 57 Ca -0.06 1.62 0.00 0.00 0.02 0.00 0.00 55.97 57.56 1u3h s LYS 57 Cb -0.06 -3.27 0.00 0.00 -0.52 0.00 0.00 37.83 33.98 1u3h s LYS 57 CO -0.00 0.27 0.00 0.41 -0.92 0.00 0.00 175.35 175.11 1u3h n GLY 58 N 1.71 1.07 0.13 -3.33 0.00 0.46 -4.88 105.19 100.35 1u3h n GLY 58 Ca 0.00 -0.80 -0.22 0.00 0.00 0.00 0.00 46.02 45.00 1u3h n GLY 58 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1u3h h ASP 59 N 0.00 0.51 -2.95 1.61 3.32 -0.98 -3.42 116.42 114.52 1u3h h ASP 59 Ca 0.00 -0.90 -0.61 0.00 0.02 0.00 0.00 57.03 55.54 1u3h h ASP 59 Cb 0.00 -0.17 -0.41 0.00 0.22 0.00 0.00 39.33 38.98 1u3h h ASP 59 CO 0.00 1.63 -0.71 0.27 -1.72 0.00 0.00 179.24 178.70 1u3h s ILE 60 N -2.51 1.96 -0.91 0.35 -0.00 -1.03 -4.95 121.20 114.12 1u3h s ILE 60 Ca -0.16 -3.59 0.25 0.00 -0.00 0.00 0.00 60.65 57.14 1u3h s ILE 60 Cb 0.04 -2.31 -0.00 0.00 -0.00 0.00 0.00 42.46 40.19 1u3h s ILE 60 CO 0.82 -1.06 1.36 -0.81 -0.00 0.00 0.00 174.94 175.25 1u3h n PRO 61 N 2.42 0.07 -1.72 0.37 -0.04 -1.26 -4.61 135.00 130.23 1u3h n PRO 61 Ca 0.21 0.01 -0.43 0.00 -0.04 0.00 0.00 63.50 63.26 1u3h n PRO 61 Cb 0.39 -1.54 -0.03 0.00 -0.04 0.00 0.00 33.50 32.28 1u3h n PRO 61 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1u3h n ASP 62 N -1.64 3.70 0.00 3.54 9.92 -1.26 -1.14 116.55 129.67 1u3h n ASP 62 Ca 0.05 1.10 0.00 0.00 -0.53 0.00 0.00 54.79 55.41 1u3h n ASP 62 Cb 0.36 -1.55 0.00 0.00 -0.64 0.00 0.00 41.12 39.29 1u3h n ASP 62 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1u3h n GLY 63 N 3.08 2.07 3.63 0.44 0.00 -1.26 -5.01 105.19 108.14 1u3h n GLY 63 Ca 0.13 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.89 1u3h n GLY 63 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1u3h s TYR 65 N -2.68 2.52 -0.25 1.61 1.51 -0.30 -4.34 117.35 115.42 1u3h s TYR 65 Ca 0.00 -0.54 -0.17 0.00 -1.01 0.00 0.00 57.07 55.35 1u3h s TYR 65 Cb 0.00 -1.62 0.07 0.00 -0.11 0.00 0.00 41.96 40.30 1u3h s TYR 65 CO 0.00 0.44 0.64 0.15 -1.11 0.00 0.00 175.55 175.67 1u3h s LYS 66 N -3.72 0.68 0.37 -0.62 1.02 -0.95 -5.00 119.74 111.51 1u3h s LYS 66 Ca 0.35 1.07 0.08 0.00 0.02 0.00 0.00 55.97 57.49 1u3h s LYS 66 Cb 0.04 0.19 -0.04 0.00 -0.52 0.00 0.00 37.83 37.49 1u3h s LYS 66 CO 0.19 -0.13 0.17 0.00 -0.92 0.00 0.00 175.35 174.66 1u3h s ALA 67 N 1.21 3.57 -0.19 5.17 0.00 -1.26 -0.39 121.76 129.86 1u3h s ALA 67 Ca -0.07 -1.93 -0.08 0.00 0.00 0.00 0.00 51.96 49.88 1u3h s ALA 67 Cb -0.05 -0.63 0.08 0.00 0.00 0.00 0.00 23.12 22.51 1u3h s ALA 67 CO -0.12 -0.05 0.42 0.45 0.00 0.00 0.00 175.76 176.46 1u3h s SER 68 N -3.89 -0.36 -0.72 0.00 0.15 -0.42 -4.98 113.70 103.49 1u3h s SER 68 Ca 0.40 0.98 0.02 0.00 0.70 0.00 0.00 55.95 58.04 1u3h s SER 68 Cb -0.00 1.17 0.18 0.00 -1.71 0.00 0.00 66.02 65.65 1u3h s SER 68 CO 0.23 -0.22 0.53 -0.60 1.20 0.00 0.00 173.24 174.38 1u3h s ARG 69 N 2.20 2.63 0.18 5.44 3.00 -1.26 -1.23 118.95 129.91 1u3h s ARG 69 Ca -0.04 -3.10 0.22 0.00 -1.00 0.00 0.00 55.73 51.80 1u3h s ARG 69 Cb -0.11 -3.60 0.89 0.00 0.00 0.00 0.00 34.95 32.13 1u3h s ARG 69 CO -0.13 -1.24 1.66 -0.35 0.00 0.00 0.00 175.30 175.25 1u3h n PRO 70 N 2.46 0.14 -3.51 5.12 -0.04 -1.21 -3.42 135.00 134.54 1u3h n PRO 70 Ca 0.16 0.34 -0.08 0.00 -0.04 0.00 0.00 63.50 63.88 1u3h n PRO 70 Cb 0.35 -1.76 -0.02 0.00 -0.04 0.00 0.00 33.50 32.04 1u3h n PRO 70 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1u3h s SER 71 N -3.91 -0.35 0.39 3.54 1.04 -1.25 -4.91 113.70 108.26 1u3h s SER 71 Ca 0.06 0.01 0.25 0.00 0.48 0.00 0.00 55.95 56.75 1u3h s SER 71 Cb 0.10 0.36 1.39 0.00 0.10 0.00 0.00 66.02 67.97 1u3h s SER 71 CO 0.39 -0.59 1.56 0.00 0.98 0.00 0.00 173.24 175.58 1u3h n GLN 72 N -0.21 -0.05 0.00 4.02 1.13 -1.26 -1.07 117.38 119.93 1u3h n GLN 72 Ca -0.08 1.33 0.09 0.00 -1.94 0.00 0.00 57.00 56.39 1u3h n GLN 72 Cb 0.61 -2.46 0.04 0.00 0.11 0.00 0.00 30.24 28.55 1u3h n GLN 72 CO 0.00 0.00 0.00 -0.85 -1.44 0.00 0.00 177.06 174.77 1u3h n GLU 73 N -5.06 1.56 -4.11 -1.09 0.00 -1.26 -4.77 120.64 105.91 1u3h n GLU 73 Ca 0.38 -1.22 -0.34 0.00 0.00 0.00 0.00 57.16 55.99 1u3h n GLU 73 Cb 1.37 -1.32 -0.15 0.00 0.00 0.00 0.00 31.44 31.33 1u3h n GLU 73 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.13 176.33 1u3h s ASN 74 N -1.73 3.47 -0.08 -1.84 0.02 -0.24 -1.71 114.94 112.84 1u3h s ASN 74 Ca 0.18 -0.57 -0.01 0.00 -1.02 0.00 0.00 52.86 51.43 1u3h s ASN 74 Cb 0.14 -1.55 0.03 0.00 0.02 0.00 0.00 41.25 39.89 1u3h s ASN 74 CO 0.32 0.00 -0.01 0.12 0.02 0.00 0.00 177.10 177.56 1u3h s PHE 75 N 1.29 0.75 0.08 2.20 5.36 -1.15 -3.34 117.98 123.18 1u3h s PHE 75 Ca 0.04 -0.23 0.09 0.00 -0.96 0.00 0.00 56.93 55.87 1u3h s PHE 75 Cb -0.14 -0.84 -0.04 0.00 -0.34 0.00 0.00 43.02 41.66 1u3h s PHE 75 CO -0.09 -0.35 -0.22 -1.54 -1.46 0.00 0.00 175.22 171.56 1u3h s SER 76 N 1.93 3.57 -0.10 6.13 1.04 -0.37 -0.69 113.70 125.21 1u3h s SER 76 Ca 0.05 -0.57 -0.00 0.00 0.48 0.00 0.00 55.95 55.90 1u3h s SER 76 Cb -0.12 -0.43 -0.03 0.00 0.10 0.00 0.00 66.02 65.54 1u3h s SER 76 CO -0.05 0.22 -0.07 -0.22 0.98 0.00 0.00 173.24 174.10 1u3h s LEU 77 N -1.71 3.15 -0.05 2.42 2.96 0.36 -1.30 118.68 124.52 1u3h s LEU 77 Ca 0.15 -0.08 0.01 0.00 -0.22 0.00 0.00 54.13 53.99 1u3h s LEU 77 Cb -0.10 -1.71 0.02 0.00 0.50 0.00 0.00 46.19 44.90 1u3h s LEU 77 CO 0.06 0.29 -0.06 -0.89 -1.32 0.00 0.00 176.35 174.43 1u3h s THR 78 N -0.40 0.66 -0.33 3.68 2.01 0.48 -1.62 115.64 120.12 1u3h s THR 78 Ca 0.06 -0.20 -0.04 0.00 0.31 0.00 0.00 61.69 61.82 1u3h s THR 78 Cb -0.12 -0.65 0.05 0.00 0.01 0.00 0.00 72.50 71.79 1u3h s THR 78 CO 0.02 0.25 0.06 -0.76 -0.69 0.00 0.00 174.62 173.50 1u3h s LEU 79 N 0.81 4.20 0.00 4.42 1.02 -0.17 -2.25 118.68 126.71 1u3h s LEU 79 Ca -0.12 -1.27 0.11 0.00 0.02 0.00 0.00 54.13 52.87 1u3h s LEU 79 Cb -0.14 -1.79 0.63 0.00 0.02 0.00 0.00 46.19 44.90 1u3h s LEU 79 CO 0.01 -0.31 1.41 -0.62 0.02 0.00 0.00 176.35 176.86 1u3h n GLU 80 N 4.71 1.06 -2.68 1.70 1.02 -1.26 -2.08 120.64 123.10 1u3h n GLU 80 Ca -0.12 -0.09 -0.05 0.00 -0.02 0.00 0.00 57.16 56.88 1u3h n GLU 80 Cb 0.44 -1.18 0.07 0.00 -0.02 0.00 0.00 31.44 30.74 1u3h n GLU 80 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1u3h n SER 81 N -0.58 -1.63 -2.92 1.62 2.88 -1.25 -4.67 113.62 107.07 1u3h n SER 81 Ca 0.08 -1.98 -0.28 0.00 -1.33 0.00 0.00 58.87 55.37 1u3h n SER 81 Cb 0.06 0.93 0.00 0.00 -0.75 0.00 0.00 64.21 64.45 1u3h n SER 81 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1u3h n ALA 82 N 1.68 -2.52 -2.97 -1.46 0.00 -0.44 -4.42 120.51 110.39 1u3h n ALA 82 Ca 0.04 0.02 -0.10 0.00 0.00 0.00 0.00 53.44 53.40 1u3h n ALA 82 Cb 0.68 -0.98 -0.11 0.00 0.00 0.00 0.00 19.45 19.04 1u3h n ALA 82 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1u3h s THR 83 N -1.27 0.09 0.48 0.00 2.01 -1.26 -2.15 115.64 113.54 1u3h s THR 83 Ca 0.40 -0.73 0.18 0.00 0.31 0.00 0.00 61.69 61.84 1u3h s THR 83 Cb -0.38 -0.22 0.34 0.00 0.01 0.00 0.00 72.50 72.24 1u3h s THR 83 CO 0.44 -0.40 2.02 -0.65 -0.69 0.00 0.00 174.62 175.34 1u3h h PRO 84 N 4.91 0.19 0.00 4.92 0.11 -1.95 0.16 132.00 140.34 1u3h h PRO 84 Ca -0.30 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.79 1u3h h PRO 84 Cb 1.21 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1u3h h PRO 84 CO 0.43 0.13 0.00 -1.13 -0.21 0.00 0.00 178.00 177.21 1u3h n SER 85 N -4.45 0.00 -1.75 -2.05 3.41 -1.26 -1.73 113.62 105.79 1u3h n SER 85 Ca 0.07 0.49 0.07 0.00 -0.26 0.00 0.00 58.87 59.25 1u3h n SER 85 Cb 0.38 -0.50 0.39 0.00 -0.26 0.00 0.00 64.21 64.22 1u3h n SER 85 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1u3h n GLN 86 N -1.50 4.59 -2.78 4.33 6.02 0.55 -4.88 117.38 123.71 1u3h n GLN 86 Ca 0.02 -3.11 -0.43 0.00 -0.01 0.00 0.00 57.00 53.47 1u3h n GLN 86 Cb 0.08 -2.19 -0.03 0.00 1.02 0.00 0.00 30.24 29.12 1u3h n GLN 86 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 1u3h s THR 87 N -2.71 4.30 0.00 5.09 2.01 -0.70 -4.85 115.64 118.77 1u3h s THR 87 Ca 0.53 -0.76 0.00 0.00 0.31 0.00 0.00 61.69 61.77 1u3h s THR 87 Cb 0.40 -4.83 0.00 0.00 0.01 0.00 0.00 72.50 68.09 1u3h s THR 87 CO 0.16 -1.63 0.00 -0.24 -0.69 0.00 0.00 174.62 172.22 1u3h n SER 88 N 7.77 0.00 -4.22 3.53 2.88 -1.01 -4.92 113.62 117.65 1u3h n SER 88 Ca 0.14 -0.13 -0.35 0.00 -1.33 0.00 0.00 58.87 57.20 1u3h n SER 88 Cb 0.48 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.81 1u3h n SER 88 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1u3h s VAL 89 N -2.48 3.17 -0.17 2.46 1.01 -1.25 -0.00 120.40 123.13 1u3h s VAL 89 Ca 0.00 -1.07 -0.18 0.00 0.00 0.00 0.00 61.98 60.73 1u3h s VAL 89 Cb 0.00 -2.68 -0.04 0.00 0.00 0.00 0.00 36.38 33.66 1u3h s VAL 89 CO 0.00 0.07 0.48 -0.31 0.00 0.00 0.00 175.10 175.33 1u3h s TYR 90 N 1.34 3.42 -0.23 5.22 1.51 0.22 -0.88 117.35 127.95 1u3h s TYR 90 Ca -0.01 0.77 -0.04 0.00 -1.01 0.00 0.00 57.07 56.78 1u3h s TYR 90 Cb -0.18 -2.60 -0.00 0.00 -0.11 0.00 0.00 41.96 39.07 1u3h s TYR 90 CO -0.02 0.01 -0.03 -0.06 -1.11 0.00 0.00 175.55 174.34 1u3h s PHE 91 N 1.23 2.99 0.38 2.71 0.08 -1.08 -1.77 117.98 122.52 1u3h s PHE 91 Ca 0.23 -0.99 -0.05 0.00 0.12 0.00 0.00 56.93 56.24 1u3h s PHE 91 Cb -0.15 -2.12 -0.04 0.00 -0.57 0.00 0.00 43.02 40.14 1u3h s PHE 91 CO 0.09 -0.57 0.66 0.00 -0.10 0.00 0.00 175.22 175.31 1u3h s ALA 93 N -2.38 -1.15 -0.00 0.00 0.00 0.05 -1.53 121.76 116.74 1u3h s ALA 93 Ca 0.45 0.06 -0.09 0.00 0.00 0.00 0.00 51.96 52.38 1u3h s ALA 93 Cb -0.10 0.81 0.01 0.00 0.00 0.00 0.00 23.12 23.83 1u3h s ALA 93 CO 0.36 -0.74 0.18 -1.54 0.00 0.00 0.00 175.76 174.02 1u3h s SER 94 N -2.81 -0.04 0.21 0.00 1.04 0.30 -0.29 113.70 112.12 1u3h s SER 94 Ca 0.04 -0.12 -0.16 0.00 0.48 0.00 0.00 55.95 56.20 1u3h s SER 94 Cb -0.00 0.24 0.06 0.00 0.10 0.00 0.00 66.02 66.42 1u3h s SER 94 CO -0.09 -0.38 0.78 0.61 0.98 0.00 0.00 173.24 175.13 1u3h n GLY 95 N 1.44 0.88 3.77 7.32 0.00 -0.52 -0.29 105.19 117.81 1u3h n GLY 95 Ca -0.22 -1.15 -0.31 0.00 0.00 0.00 0.00 46.02 44.34 1u3h n GLY 95 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1u3h s ASP 96 N -2.89 4.59 0.12 1.61 -1.08 -1.26 -1.60 116.67 116.15 1u3h s ASP 96 Ca 0.17 1.76 -0.33 0.00 -0.52 0.00 0.00 52.55 53.63 1u3h s ASP 96 Cb -0.03 -2.49 -0.12 0.00 -1.46 0.00 0.00 42.92 38.82 1u3h s ASP 96 CO 0.06 -1.97 1.74 0.00 0.52 0.00 0.00 175.17 175.52 1u3h n ALA 97 N -3.48 1.82 0.00 3.66 0.00 -1.26 -4.44 120.51 116.82 1u3h n ALA 97 Ca 0.09 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.90 1u3h n ALA 97 Cb 0.53 -2.48 0.00 0.00 0.00 0.00 0.00 19.45 17.50 1u3h n ALA 97 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1u3h n GLY 98 N 3.93 0.85 0.00 0.00 0.00 -1.26 -4.91 105.19 103.80 1u3h n GLY 98 Ca 0.18 -1.75 0.00 0.00 0.00 0.00 0.00 46.02 44.45 1u3h n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u3h n GLY 99 N 0.00 0.23 1.30 -0.02 0.00 -1.26 -4.81 105.19 100.62 1u3h n GLY 99 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.07 1u3h n GLY 99 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u3h n GLY 100 N 0.00 2.21 3.63 -0.02 0.00 -1.26 -4.87 105.19 104.87 1u3h n GLY 100 Ca 0.00 -0.59 -0.29 0.00 0.00 0.00 0.00 46.02 45.14 1u3h n GLY 100 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1u3h s TYR 104 N -1.98 2.83 0.41 1.61 2.02 -1.26 -5.10 117.35 115.88 1u3h s TYR 104 Ca 0.35 -0.11 -0.26 0.00 -0.37 0.00 0.00 57.07 56.67 1u3h s TYR 104 Cb 0.25 -1.45 -0.09 0.00 -0.40 0.00 0.00 41.96 40.27 1u3h s TYR 104 CO 0.13 0.46 1.39 -2.00 -1.57 0.00 0.00 175.55 173.96 1u3h s GLU 105 N -2.38 3.93 -0.12 -0.62 2.12 -1.26 -4.89 118.70 115.49 1u3h s GLU 105 Ca 0.24 2.35 -0.01 0.00 0.36 0.00 0.00 54.97 57.91 1u3h s GLU 105 Cb -0.11 -2.80 -0.03 0.00 0.26 0.00 0.00 34.13 31.46 1u3h s GLU 105 CO 0.16 -0.59 -0.06 -0.65 -0.54 0.00 0.00 175.26 173.57 1u3h s GLN 106 N -2.24 3.27 -0.26 4.30 -0.21 -1.26 -4.33 119.66 118.92 1u3h s GLN 106 Ca 0.57 -0.55 -0.10 0.00 0.02 0.00 0.00 55.36 55.29 1u3h s GLN 106 Cb -0.42 -2.75 -0.04 0.00 1.00 0.00 0.00 33.01 30.80 1u3h s GLN 106 CO 0.55 0.41 0.15 0.71 -2.12 0.00 0.00 175.29 174.99 1u3h s TYR 107 N -0.11 3.21 0.22 0.91 2.02 0.60 -4.92 117.35 119.29 1u3h s TYR 107 Ca 0.01 0.02 0.01 0.00 -0.37 0.00 0.00 57.07 56.74 1u3h s TYR 107 Cb -0.13 -2.31 -0.04 0.00 -0.40 0.00 0.00 41.96 39.08 1u3h s TYR 107 CO 0.03 -0.15 0.39 -0.06 -1.57 0.00 0.00 175.55 174.19 1u3h s PHE 108 N 1.53 3.48 0.00 2.71 0.08 -1.26 -0.54 117.98 123.97 1u3h s PHE 108 Ca 0.07 0.25 0.00 0.00 0.12 0.00 0.00 56.93 57.37 1u3h s PHE 108 Cb -0.15 -1.78 0.00 0.00 -0.57 0.00 0.00 43.02 40.52 1u3h s PHE 108 CO 0.08 0.38 0.00 0.41 -0.10 0.00 0.00 175.22 175.98 1u3h n GLY 109 N -0.91 0.20 0.20 4.36 0.00 -0.58 -4.60 105.19 103.86 1u3h n GLY 109 Ca -0.06 -1.85 -0.17 0.00 0.00 0.00 0.00 46.02 43.94 1u3h n GLY 109 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1u3h h PRO 110 N 0.00 0.69 0.00 1.61 0.13 -1.91 -3.46 132.00 129.06 1u3h h PRO 110 Ca 0.00 -0.59 0.00 0.00 -0.87 0.00 0.00 66.00 64.54 1u3h h PRO 110 Cb 0.00 0.13 0.00 0.00 0.13 0.00 0.00 31.00 31.26 1u3h h PRO 110 CO 0.00 1.20 0.00 0.41 -0.23 0.00 0.00 178.00 179.38 1u3h n GLY 111 N 0.78 0.81 3.44 1.56 0.00 -1.26 -5.04 105.19 105.48 1u3h n GLY 111 Ca -0.08 -2.16 0.01 0.00 0.00 0.00 0.00 46.02 43.79 1u3h n GLY 111 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1u3h s THR 112 N -0.94 -0.71 -0.02 2.61 2.01 -0.73 -4.77 115.64 113.09 1u3h s THR 112 Ca 0.00 0.00 -0.18 0.00 0.31 0.00 0.00 61.69 61.82 1u3h s THR 112 Cb 0.00 -1.00 -0.05 0.00 0.01 0.00 0.00 72.50 71.46 1u3h s THR 112 CO 0.00 0.00 0.51 -0.60 -0.69 0.00 0.00 174.62 173.84 1u3h s ARG 113 N 2.69 4.20 -0.01 4.92 3.52 -1.23 0.70 118.95 133.73 1u3h s ARG 113 Ca -0.01 0.58 0.03 0.00 -0.13 0.00 0.00 55.73 56.20 1u3h s ARG 113 Cb -0.09 -3.31 -0.01 0.00 -1.56 0.00 0.00 34.95 29.98 1u3h s ARG 113 CO -0.18 0.45 -0.09 -1.17 -0.81 0.00 0.00 175.30 173.50 1u3h s LEU 114 N -0.40 1.97 -0.03 -0.88 2.96 1.00 -2.05 118.68 121.25 1u3h s LEU 114 Ca 0.27 -0.18 0.01 0.00 -0.22 0.00 0.00 54.13 54.02 1u3h s LEU 114 Cb -0.17 -0.50 0.02 0.00 0.50 0.00 0.00 46.19 46.03 1u3h s LEU 114 CO 0.15 0.11 -0.04 -0.89 -1.32 0.00 0.00 176.35 174.36 1u3h s THR 115 N -0.14 0.44 -0.27 3.68 2.01 -1.07 -2.40 115.64 117.90 1u3h s THR 115 Ca 0.02 -0.11 -0.04 0.00 0.31 0.00 0.00 61.69 61.87 1u3h s THR 115 Cb -0.05 -0.45 -0.15 0.00 0.01 0.00 0.00 72.50 71.86 1u3h s THR 115 CO -0.00 0.18 -0.27 1.33 -0.69 0.00 0.00 174.62 175.17 1u3h n VAL 116 N 3.76 1.51 -0.79 3.82 0.24 -1.25 -0.93 118.33 124.68 1u3h n VAL 116 Ca -0.23 -0.50 0.00 0.00 -2.04 0.00 0.00 64.34 61.57 1u3h n VAL 116 Cb 0.53 -1.60 0.00 0.00 -1.47 0.00 0.00 33.84 31.30 1u3h n VAL 116 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87