#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ee0 s SER 2 N 0.00 6.29 -0.24 1.61 0.01 -1.26 -4.96 113.70 115.15 2ee0 s SER 2 Ca 0.00 1.03 -0.02 0.00 1.31 0.00 0.00 55.95 58.27 2ee0 s SER 2 Cb 0.00 -2.29 0.09 0.00 0.21 0.00 0.00 66.02 64.03 2ee0 s SER 2 CO 0.00 -0.60 2.31 -0.24 0.41 0.00 0.00 173.24 175.12 2ee0 n SER 3 N -2.23 6.10 -4.96 2.44 2.88 -1.26 -4.92 113.62 111.68 2ee0 n SER 3 Ca 0.02 -2.89 -0.22 0.00 -1.33 0.00 0.00 58.87 54.45 2ee0 n SER 3 Cb 0.55 -1.14 0.00 0.00 -0.75 0.00 0.00 64.21 62.87 2ee0 n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2ee0 s GLY 4 N 0.80 1.50 0.32 0.46 0.00 -1.26 -5.12 107.32 104.02 2ee0 s GLY 4 Ca 0.33 -1.15 0.07 0.00 0.00 0.00 0.00 44.72 43.97 2ee0 s GLY 4 CO -0.04 -1.04 0.27 -0.45 0.00 0.00 0.00 173.10 171.84 2ee0 s SER 5 N -4.15 5.31 0.28 1.64 0.15 -1.26 -5.14 113.70 110.52 2ee0 s SER 5 Ca 0.45 -0.46 0.02 0.00 0.70 0.00 0.00 55.95 56.66 2ee0 s SER 5 Cb -0.10 -1.04 -0.06 0.00 -1.71 0.00 0.00 66.02 63.11 2ee0 s SER 5 CO 0.35 -0.29 0.07 -0.44 1.20 0.00 0.00 173.24 174.14 2ee0 s SER 6 N -3.96 1.63 0.00 5.45 0.01 -1.26 -5.06 113.70 110.52 2ee0 s SER 6 Ca 0.39 -1.37 0.00 0.00 1.31 0.00 0.00 55.95 56.29 2ee0 s SER 6 Cb -0.06 0.07 0.00 0.00 0.21 0.00 0.00 66.02 66.24 2ee0 s SER 6 CO 0.26 -0.67 0.00 0.61 0.41 0.00 0.00 173.24 173.85 2ee0 n GLY 7 N -0.53 0.78 2.71 3.44 0.00 -1.26 -5.14 105.19 105.19 2ee0 n GLY 7 Ca -0.01 -0.62 -0.20 0.00 0.00 0.00 0.00 46.02 45.18 2ee0 n GLY 7 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2ee0 s ASN 8 N -0.14 1.62 0.70 1.61 2.47 -1.26 -5.15 114.94 114.79 2ee0 s ASN 8 Ca 0.00 -0.31 -0.13 0.00 0.42 0.00 0.00 52.86 52.84 2ee0 s ASN 8 Cb 0.00 0.21 0.02 0.00 -1.45 0.00 0.00 41.25 40.02 2ee0 s ASN 8 CO 0.00 -0.33 1.09 -1.81 -3.72 0.00 0.00 177.10 172.33 2ee0 s ASP 9 N 2.27 4.96 -0.34 -4.21 1.11 -1.26 -4.94 116.67 114.26 2ee0 s ASP 9 Ca 0.05 1.88 0.03 0.00 0.18 0.00 0.00 52.55 54.70 2ee0 s ASP 9 Cb -0.16 -2.53 0.50 0.00 1.07 0.00 0.00 42.92 41.80 2ee0 s ASP 9 CO -0.11 -1.73 1.71 0.59 1.18 0.00 0.00 175.17 176.80 2ee0 n ASN 10 N -2.87 3.71 -4.76 0.27 3.02 -1.26 -4.95 115.26 108.42 2ee0 n ASN 10 Ca 0.09 -3.22 -0.40 0.00 -0.03 0.00 0.00 54.58 51.03 2ee0 n ASN 10 Cb 0.53 -0.77 -0.06 0.00 -0.61 0.00 0.00 39.78 38.87 2ee0 n ASN 10 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 2ee0 s ARG 11 N -2.50 4.69 0.05 3.52 3.52 -1.26 -4.63 118.95 122.34 2ee0 s ARG 11 Ca 0.43 1.31 -0.31 0.00 -0.13 0.00 0.00 55.73 57.04 2ee0 s ARG 11 Cb 0.36 -3.30 -0.07 0.00 -1.56 0.00 0.00 34.95 30.39 2ee0 s ARG 11 CO 0.08 0.47 1.41 -1.25 -0.81 0.00 0.00 175.30 175.20 2ee0 s PRO 12 N -0.88 4.30 -0.21 5.12 0.04 -1.26 -4.91 135.00 137.19 2ee0 s PRO 12 Ca 0.40 2.03 -0.07 0.00 0.04 0.00 0.00 61.00 63.39 2ee0 s PRO 12 Cb -0.24 -3.45 -0.04 0.00 0.04 0.00 0.00 34.50 30.82 2ee0 s PRO 12 CO 0.29 -0.52 0.07 0.54 0.04 0.00 0.00 177.00 177.41 2ee0 s VAL 13 N 1.88 4.62 -0.24 -0.36 0.11 -1.25 -4.62 120.40 120.55 2ee0 s VAL 13 Ca 0.65 -0.08 -0.29 0.00 -2.93 0.00 0.00 61.98 59.32 2ee0 s VAL 13 Cb -0.34 -3.11 -0.01 0.00 -1.53 0.00 0.00 36.38 31.39 2ee0 s VAL 13 CO 0.28 0.41 1.28 -0.36 -3.33 0.00 0.00 175.10 173.38 2ee0 s PHE 14 N 0.82 2.78 0.19 1.54 0.08 -1.26 -3.97 117.98 118.16 2ee0 s PHE 14 Ca 0.04 0.95 -0.14 0.00 0.12 0.00 0.00 56.93 57.90 2ee0 s PHE 14 Cb -0.14 -3.70 0.21 0.00 -0.57 0.00 0.00 43.02 38.82 2ee0 s PHE 14 CO 0.02 -1.67 1.25 1.17 -0.10 0.00 0.00 175.22 175.90 2ee0 n LYS 15 N 6.96 -0.18 -4.41 0.44 4.81 -1.20 -4.12 118.16 120.46 2ee0 n LYS 15 Ca 0.14 1.24 -0.26 0.00 -0.87 0.00 0.00 58.31 58.56 2ee0 n LYS 15 Cb 0.46 -1.85 -0.17 0.00 0.02 0.00 0.00 35.03 33.50 2ee0 n LYS 15 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 2ee0 s GLU 16 N -5.78 1.83 0.00 1.64 2.02 -1.26 -5.07 118.70 112.08 2ee0 s GLU 16 Ca -0.11 -0.43 0.00 0.00 0.02 0.00 0.00 54.97 54.45 2ee0 s GLU 16 Cb 0.17 -1.59 0.00 0.00 0.10 0.00 0.00 34.13 32.80 2ee0 s GLU 16 CO 0.58 -0.06 0.24 0.41 0.02 0.00 0.00 175.26 176.45 2ee0 n GLY 17 N 4.16 -0.99 3.46 -1.39 0.00 -1.26 -4.80 105.19 104.38 2ee0 n GLY 17 Ca -0.20 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.46 2ee0 n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2ee0 s GLN 18 N -1.45 3.68 -0.03 1.61 -0.21 -1.25 -3.10 119.66 118.91 2ee0 s GLN 18 Ca 0.00 -0.46 0.03 0.00 0.02 0.00 0.00 55.36 54.94 2ee0 s GLN 18 Cb 0.00 -3.35 0.00 0.00 1.00 0.00 0.00 33.01 30.66 2ee0 s GLN 18 CO 0.00 -0.18 -0.09 0.08 -2.12 0.00 0.00 175.29 172.97 2ee0 s VAL 19 N 1.61 0.81 -0.19 1.09 1.01 -1.24 -5.02 120.40 118.48 2ee0 s VAL 19 Ca 0.06 -0.38 -0.06 0.00 0.00 0.00 0.00 61.98 61.61 2ee0 s VAL 19 Cb -0.15 -0.72 -0.03 0.00 0.00 0.00 0.00 36.38 35.47 2ee0 s VAL 19 CO 0.04 0.25 0.03 -0.70 0.00 0.00 0.00 175.10 174.72 2ee0 s GLU 20 N 0.18 3.79 0.07 2.72 2.12 -1.26 -1.78 118.70 124.53 2ee0 s GLU 20 Ca -0.03 -0.44 0.06 0.00 0.36 0.00 0.00 54.97 54.93 2ee0 s GLU 20 Cb -0.09 -3.13 -0.03 0.00 0.26 0.00 0.00 34.13 31.15 2ee0 s GLU 20 CO 0.01 0.16 -0.18 0.14 -0.54 0.00 0.00 175.26 174.85 2ee0 s VAL 21 N 0.65 1.41 -0.26 3.70 -7.23 -0.81 -5.03 120.40 112.83 2ee0 s VAL 21 Ca 0.01 -1.27 -0.05 0.00 -1.81 0.00 0.00 61.98 58.86 2ee0 s VAL 21 Cb -0.14 -1.28 0.01 0.00 0.56 0.00 0.00 36.38 35.53 2ee0 s VAL 21 CO 0.02 -0.02 0.01 -1.38 -0.31 0.00 0.00 175.10 173.42 2ee0 s HIS 22 N -1.02 3.07 -0.02 2.82 -3.43 -1.26 -0.71 115.29 114.74 2ee0 s HIS 22 Ca 0.03 -1.09 0.02 0.00 -0.80 0.00 0.00 55.06 53.23 2ee0 s HIS 22 Cb -0.09 -2.16 0.00 0.00 -1.43 0.00 0.00 32.58 28.90 2ee0 s HIS 22 CO 0.02 -0.60 -0.07 -1.50 -2.00 0.00 0.00 174.74 170.60 2ee0 s ILE 23 N 1.45 0.60 0.41 -5.38 2.07 -0.75 -5.01 121.20 114.60 2ee0 s ILE 23 Ca 0.03 -0.27 -0.25 0.00 -1.41 0.00 0.00 60.65 58.75 2ee0 s ILE 23 Cb -0.16 -0.53 -0.08 0.00 0.13 0.00 0.00 42.46 41.81 2ee0 s ILE 23 CO -0.01 0.19 1.18 -2.16 -1.91 0.00 0.00 174.94 172.24 2ee0 s PRO 24 N 0.14 3.98 0.38 3.50 0.04 -1.26 -1.74 135.00 140.04 2ee0 s PRO 24 Ca -0.02 1.86 0.05 0.00 0.04 0.00 0.00 61.00 62.94 2ee0 s PRO 24 Cb -0.06 -2.63 0.76 0.00 0.04 0.00 0.00 34.50 32.61 2ee0 s PRO 24 CO -0.00 -0.39 2.02 1.05 0.04 0.00 0.00 177.00 179.72 2ee0 h GLU 25 N 2.51 0.68 -0.99 4.56 4.11 -1.28 -0.93 114.58 123.24 2ee0 h GLU 25 Ca -0.49 -0.04 -0.27 0.00 0.07 0.00 0.00 59.36 58.63 2ee0 h GLU 25 Cb 1.24 -0.15 -0.16 0.00 0.50 0.00 0.00 28.75 30.17 2ee0 h GLU 25 CO 0.62 0.45 0.35 -1.71 0.07 0.00 0.00 179.01 178.78 2ee0 n ASN 26 N -4.46 3.43 -4.76 3.06 5.15 -1.26 -1.91 115.26 114.51 2ee0 n ASN 26 Ca 0.06 -2.87 -0.39 0.00 -0.60 0.00 0.00 54.58 50.78 2ee0 n ASN 26 Cb 0.10 -0.68 0.01 0.00 -0.53 0.00 0.00 39.78 38.68 2ee0 n ASN 26 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2ee0 s ALA 27 N -1.85 3.12 0.22 5.20 0.00 -0.36 -4.96 121.76 123.14 2ee0 s ALA 27 Ca 0.32 1.30 -0.30 0.00 0.00 0.00 0.00 51.96 53.28 2ee0 s ALA 27 Cb 0.27 -3.53 -0.09 0.00 0.00 0.00 0.00 23.12 19.77 2ee0 s ALA 27 CO 0.06 -1.06 1.29 -1.25 0.00 0.00 0.00 175.76 174.80 2ee0 s PRO 28 N -2.51 4.41 0.14 0.00 0.04 -1.26 -4.82 135.00 130.99 2ee0 s PRO 28 Ca 0.62 2.05 -0.31 0.00 0.04 0.00 0.00 61.00 63.40 2ee0 s PRO 28 Cb -0.39 -3.18 -0.11 0.00 0.04 0.00 0.00 34.50 30.86 2ee0 s PRO 28 CO 0.50 -0.20 1.80 0.08 0.04 0.00 0.00 177.00 179.22 2ee0 s VAL 29 N -0.18 2.46 0.00 -0.36 1.01 -1.26 -2.79 120.40 119.28 2ee0 s VAL 29 Ca 0.54 0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.59 2ee0 s VAL 29 Cb -0.36 -3.04 0.00 0.00 0.00 0.00 0.00 36.38 32.97 2ee0 s VAL 29 CO 0.40 0.00 0.00 0.61 0.00 0.00 0.00 175.10 176.12 2ee0 n GLY 30 N 4.17 1.27 3.65 4.51 0.00 -0.41 -4.96 105.19 113.42 2ee0 n GLY 30 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 2ee0 n GLY 30 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ee0 s THR 31 N -2.00 4.94 -0.49 2.61 2.01 -1.12 -4.79 115.64 116.80 2ee0 s THR 31 Ca 0.00 1.35 -0.28 0.00 0.31 0.00 0.00 61.69 63.07 2ee0 s THR 31 Cb 0.00 -4.02 -0.01 0.00 0.01 0.00 0.00 72.50 68.48 2ee0 s THR 31 CO 0.00 0.03 1.73 -0.94 -0.69 0.00 0.00 174.62 174.75 2ee0 s SER 32 N 1.30 5.71 -0.06 3.53 1.04 -1.26 -2.73 113.70 121.23 2ee0 s SER 32 Ca 0.31 0.70 -0.18 0.00 0.48 0.00 0.00 55.95 57.26 2ee0 s SER 32 Cb -0.16 -2.53 -0.13 0.00 0.10 0.00 0.00 66.02 63.30 2ee0 s SER 32 CO 0.09 -1.96 0.72 0.58 0.98 0.00 0.00 173.24 173.65 2ee0 h VAL 33 N 6.74 0.64 -3.35 5.02 2.07 -1.51 -3.47 116.25 122.39 2ee0 h VAL 33 Ca -0.29 -1.08 -0.17 0.00 0.82 0.00 0.00 66.70 65.98 2ee0 h VAL 33 Cb 1.15 1.09 -0.25 0.00 -1.52 0.00 0.00 31.29 31.77 2ee0 h VAL 33 CO 1.14 0.17 -0.50 -0.51 0.02 0.00 0.00 177.57 177.89 2ee0 s ILE 34 N -3.12 0.02 -0.33 4.57 2.07 -1.23 -4.99 121.20 118.19 2ee0 s ILE 34 Ca -0.11 -0.20 -0.02 0.00 -1.41 0.00 0.00 60.65 58.91 2ee0 s ILE 34 Cb 0.00 -0.31 0.07 0.00 0.13 0.00 0.00 42.46 42.34 2ee0 s ILE 34 CO 0.39 -0.11 0.06 -1.58 -1.91 0.00 0.00 174.94 171.79 2ee0 s GLN 35 N -0.34 2.29 -0.23 3.50 0.74 -1.26 -2.03 119.66 122.32 2ee0 s GLN 35 Ca -0.04 -1.43 -0.19 0.00 0.05 0.00 0.00 55.36 53.75 2ee0 s GLN 35 Cb -0.03 -3.30 -0.03 0.00 1.10 0.00 0.00 33.01 30.75 2ee0 s GLN 35 CO 0.01 -0.75 0.55 -0.51 -0.55 0.00 0.00 175.29 174.04 2ee0 s LEU 36 N 1.22 4.10 -0.27 3.68 1.43 -1.13 -5.02 118.68 122.69 2ee0 s LEU 36 Ca -0.01 0.64 0.03 0.00 -1.03 0.00 0.00 54.13 53.76 2ee0 s LEU 36 Cb -0.20 -2.74 0.07 0.00 0.03 0.00 0.00 46.19 43.34 2ee0 s LEU 36 CO -0.02 -0.26 -0.07 -2.28 0.23 0.00 0.00 176.35 173.95 2ee0 s HIS 37 N 2.06 3.16 -0.47 0.29 2.46 -1.26 -4.62 115.29 116.91 2ee0 s HIS 37 Ca 0.24 -2.33 -0.09 0.00 0.47 0.00 0.00 55.06 53.35 2ee0 s HIS 37 Cb -0.16 -2.03 0.12 0.00 -0.13 0.00 0.00 32.58 30.38 2ee0 s HIS 37 CO 0.09 -0.87 0.34 0.00 -2.47 0.00 0.00 174.74 171.83 2ee0 s ALA 38 N 1.13 3.39 0.14 1.58 0.00 -1.26 -3.22 121.76 123.52 2ee0 s ALA 38 Ca -0.05 -2.55 0.04 0.00 0.00 0.00 0.00 51.96 49.41 2ee0 s ALA 38 Cb -0.20 -2.81 -0.04 0.00 0.00 0.00 0.00 23.12 20.08 2ee0 s ALA 38 CO -0.06 -1.91 0.16 0.95 0.00 0.00 0.00 175.76 174.90 2ee0 s THR 39 N 1.34 4.71 0.07 0.00 -4.23 -1.25 -4.83 115.64 111.44 2ee0 s THR 39 Ca 0.06 -0.92 0.00 0.00 -1.18 0.00 0.00 61.69 59.65 2ee0 s THR 39 Cb -0.26 -3.38 0.00 0.00 1.34 0.00 0.00 72.50 70.20 2ee0 s THR 39 CO -0.01 -0.06 0.00 0.47 -0.54 0.00 0.00 174.62 174.49 2ee0 n ASP 40 N -0.23 0.22 -3.71 3.99 9.92 -1.26 -3.81 116.55 121.67 2ee0 n ASP 40 Ca -0.08 0.11 -0.07 0.00 -0.53 0.00 0.00 54.79 54.22 2ee0 n ASP 40 Cb 0.54 -0.01 -0.01 0.00 -0.64 0.00 0.00 41.12 40.99 2ee0 n ASP 40 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2ee0 s ALA 41 N -2.00 -1.17 -0.65 2.24 0.00 -1.26 -5.05 121.76 113.87 2ee0 s ALA 41 Ca 0.00 -0.35 -0.24 0.00 0.00 0.00 0.00 51.96 51.37 2ee0 s ALA 41 Cb 0.00 0.81 -0.20 0.00 0.00 0.00 0.00 23.12 23.74 2ee0 s ALA 41 CO 0.00 -1.03 1.87 -0.40 0.00 0.00 0.00 175.76 176.20 2ee0 n ASP 42 N -0.61 2.25 -4.34 0.00 5.75 -1.26 -4.82 116.55 113.53 2ee0 n ASP 42 Ca -0.05 -2.65 -0.47 0.00 -0.01 0.00 0.00 54.79 51.62 2ee0 n ASP 42 Cb 0.59 -1.03 -0.02 0.00 -1.03 0.00 0.00 41.12 39.64 2ee0 n ASP 42 CO 0.00 0.00 0.00 0.27 -0.11 0.00 0.00 177.20 177.36 2ee0 s ILE 43 N 5.62 5.55 -0.87 2.12 -4.36 -1.26 -4.98 121.20 123.02 2ee0 s ILE 43 Ca 0.60 -2.45 -0.23 0.00 -0.26 0.00 0.00 60.65 58.31 2ee0 s ILE 43 Cb 0.14 -4.51 -0.18 0.00 1.25 0.00 0.00 42.46 39.15 2ee0 s ILE 43 CO 0.16 -1.09 2.19 0.61 0.24 0.00 0.00 174.94 177.05 2ee0 n GLY 44 N 4.04 -0.29 3.77 6.27 0.00 -1.26 -3.05 105.19 114.66 2ee0 n GLY 44 Ca 0.16 0.18 -0.25 0.00 0.00 0.00 0.00 46.02 46.11 2ee0 n GLY 44 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2ee0 n SER 45 N 17.17 -2.08 -0.13 1.61 7.64 -1.26 -4.91 113.62 131.66 2ee0 n SER 45 Ca 0.43 -0.93 -0.22 0.00 1.01 0.00 0.00 58.87 59.16 2ee0 n SER 45 Cb 0.42 -3.59 -0.11 0.00 -1.01 0.00 0.00 64.21 59.93 2ee0 n SER 45 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 2ee0 n ASN 46 N -2.94 1.99 -3.70 6.43 5.15 -1.17 -4.83 115.26 116.18 2ee0 n ASN 46 Ca -0.25 0.05 -0.29 0.00 -0.60 0.00 0.00 54.58 53.49 2ee0 n ASN 46 Cb 0.66 -0.56 -0.12 0.00 -0.53 0.00 0.00 39.78 39.23 2ee0 n ASN 46 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2ee0 s ALA 47 N -2.50 2.30 -0.80 5.20 0.00 -1.26 -5.05 121.76 119.65 2ee0 s ALA 47 Ca -0.35 -2.76 -0.17 0.00 0.00 0.00 0.00 51.96 48.68 2ee0 s ALA 47 Cb 0.11 -1.89 -0.21 0.00 0.00 0.00 0.00 23.12 21.13 2ee0 s ALA 47 CO 0.54 -2.06 2.09 -1.91 0.00 0.00 0.00 175.76 174.42 2ee0 n GLU 48 N 3.22 0.22 -1.56 0.00 2.13 -1.26 -4.79 120.64 118.59 2ee0 n GLU 48 Ca 0.13 -0.56 -0.47 0.00 0.66 0.00 0.00 57.16 56.92 2ee0 n GLU 48 Cb 0.36 -2.41 -0.05 0.00 0.27 0.00 0.00 31.44 29.61 2ee0 n GLU 48 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 2ee0 n ILE 49 N 7.10 0.35 -3.29 6.31 5.41 -1.26 -4.94 119.36 129.04 2ee0 n ILE 49 Ca 0.47 -0.31 -0.32 0.00 1.00 0.00 0.00 62.75 63.60 2ee0 n ILE 49 Cb 0.34 -2.09 -0.05 0.00 -0.71 0.00 0.00 39.64 37.13 2ee0 n ILE 49 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.55 176.42 2ee0 s ARG 50 N 5.78 3.83 -0.11 0.38 1.81 -1.13 -4.75 118.95 124.75 2ee0 s ARG 50 Ca 1.02 0.35 0.01 0.00 -1.72 0.00 0.00 55.73 55.39 2ee0 s ARG 50 Cb -0.60 -2.57 0.02 0.00 -0.45 0.00 0.00 34.95 31.35 2ee0 s ARG 50 CO 0.44 0.23 -0.13 0.71 -0.68 0.00 0.00 175.30 175.87 2ee0 s TYR 51 N -1.94 1.80 0.29 -0.53 1.51 -1.25 -3.25 117.35 113.97 2ee0 s TYR 51 Ca 0.49 -0.86 0.02 0.00 -1.01 0.00 0.00 57.07 55.71 2ee0 s TYR 51 Cb -0.11 -1.34 -0.05 0.00 -0.11 0.00 0.00 41.96 40.35 2ee0 s TYR 51 CO 0.22 -0.48 0.10 0.96 -1.11 0.00 0.00 175.55 175.25 2ee0 s ILE 52 N 1.16 0.64 0.33 2.71 -4.36 -1.09 -4.31 121.20 116.28 2ee0 s ILE 52 Ca -0.04 -2.00 -0.26 0.00 -0.26 0.00 0.00 60.65 58.09 2ee0 s ILE 52 Cb -0.14 -2.63 -0.10 0.00 1.25 0.00 0.00 42.46 40.84 2ee0 s ILE 52 CO -0.03 0.00 0.97 -0.36 0.24 0.00 0.00 174.94 175.76 2ee0 s PHE 53 N -3.62 3.62 0.00 1.37 0.08 -1.26 0.38 117.98 118.55 2ee0 s PHE 53 Ca 0.36 1.76 0.00 0.00 0.12 0.00 0.00 56.93 59.17 2ee0 s PHE 53 Cb 0.07 -2.98 0.00 0.00 -0.57 0.00 0.00 43.02 39.54 2ee0 s PHE 53 CO 0.15 0.03 0.00 0.41 -0.10 0.00 0.00 175.22 175.71 2ee0 n GLY 54 N 0.59 -1.92 3.91 4.36 0.00 0.15 -4.74 105.19 107.55 2ee0 n GLY 54 Ca 0.02 -1.52 -0.27 0.00 0.00 0.00 0.00 46.02 44.25 2ee0 n GLY 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ee0 s ALA 55 N -3.35 3.51 -1.26 4.61 0.00 -1.26 -4.29 121.76 119.71 2ee0 s ALA 55 Ca 0.00 -0.59 -0.07 0.00 0.00 0.00 0.00 51.96 51.30 2ee0 s ALA 55 Cb 0.00 -2.43 0.01 0.00 0.00 0.00 0.00 23.12 20.70 2ee0 s ALA 55 CO 0.00 -0.13 1.10 1.04 0.00 0.00 0.00 175.76 177.77 2ee0 n GLN 56 N -1.81 -7.36 -4.34 0.00 1.13 -1.26 -4.99 117.38 98.75 2ee0 n GLN 56 Ca -0.01 0.79 -0.34 0.00 -1.94 0.00 0.00 57.00 55.50 2ee0 n GLN 56 Cb 0.55 -5.71 -0.12 0.00 0.11 0.00 0.00 30.24 25.06 2ee0 n GLN 56 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 2ee0 s VAL 57 N -3.31 3.85 0.46 5.09 1.01 -1.26 -5.07 120.40 121.18 2ee0 s VAL 57 Ca 0.46 -0.37 -0.24 0.00 0.00 0.00 0.00 61.98 61.83 2ee0 s VAL 57 Cb -0.20 -2.70 -0.07 0.00 0.00 0.00 0.00 36.38 33.41 2ee0 s VAL 57 CO 0.69 0.48 1.29 0.00 0.00 0.00 0.00 175.10 177.56 2ee0 s ALA 58 N 0.51 3.05 0.07 5.51 0.00 -1.26 -4.95 121.76 124.69 2ee0 s ALA 58 Ca -0.03 1.19 -0.17 0.00 0.00 0.00 0.00 51.96 52.95 2ee0 s ALA 58 Cb -0.14 -3.49 -0.11 0.00 0.00 0.00 0.00 23.12 19.38 2ee0 s ALA 58 CO 0.03 -0.96 1.39 -1.00 0.00 0.00 0.00 175.76 175.21 2ee0 h PRO 59 N 2.12 0.56 -0.55 0.00 0.13 -1.99 -3.13 132.00 129.14 2ee0 h PRO 59 Ca -0.50 -0.30 0.11 0.00 -0.87 0.00 0.00 66.00 64.44 2ee0 h PRO 59 Cb 1.26 0.01 -0.09 0.00 0.13 0.00 0.00 31.00 32.32 2ee0 h PRO 59 CO 0.60 0.89 0.03 0.00 -0.23 0.00 0.00 178.00 179.29 2ee0 h ALA 60 N 0.66 0.56 -0.79 -0.56 0.00 -1.99 0.15 119.26 117.29 2ee0 h ALA 60 Ca 0.04 0.15 0.01 0.00 0.00 0.00 0.00 54.91 55.11 2ee0 h ALA 60 Cb 0.78 0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.79 2ee0 h ALA 60 CO 0.06 -0.37 0.52 1.15 0.00 0.00 0.00 179.25 180.61 2ee0 h THR 61 N 0.15 1.19 0.00 0.00 2.02 -1.95 -0.00 112.91 114.32 2ee0 h THR 61 Ca 0.28 -0.36 -0.12 0.00 0.77 0.00 0.00 66.41 66.98 2ee0 h THR 61 Cb 0.44 0.04 -0.02 0.00 -1.74 0.00 0.00 68.15 66.87 2ee0 h THR 61 CO -0.44 0.19 -0.59 0.11 0.37 0.00 0.00 175.52 175.17 2ee0 h LYS 62 N 1.06 0.00 -0.00 6.66 1.57 -0.98 -0.89 116.57 123.98 2ee0 h LYS 62 Ca 0.29 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.07 2ee0 h LYS 62 Cb -0.10 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.21 2ee0 h LYS 62 CO -0.07 0.59 -0.02 0.00 -0.57 0.00 0.00 179.45 179.38 2ee0 h ARG 63 N 0.00 0.01 -0.38 3.15 3.08 0.22 -3.31 114.38 117.16 2ee0 h ARG 63 Ca -0.01 -0.01 -0.10 0.00 0.07 0.00 0.00 59.98 59.93 2ee0 h ARG 63 Cb 1.06 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.10 2ee0 h ARG 63 CO 0.08 0.74 -0.19 -0.07 -1.07 0.00 0.00 179.97 179.46 2ee0 h LEU 64 N -0.71 0.72 -8.57 3.04 3.38 -1.08 -3.42 115.31 108.67 2ee0 h LEU 64 Ca -0.00 -0.24 -0.65 0.00 0.09 0.00 0.00 57.88 57.08 2ee0 h LEU 64 Cb 0.75 -0.20 -0.25 0.00 0.09 0.00 0.00 40.66 41.05 2ee0 h LEU 64 CO 0.00 0.91 -0.68 -0.36 0.09 0.00 0.00 178.44 178.41 2ee0 s PHE 65 N -4.65 3.02 0.01 1.13 0.08 -0.34 -0.30 117.98 116.92 2ee0 s PHE 65 Ca -0.09 -0.62 -0.19 0.00 0.12 0.00 0.00 56.93 56.15 2ee0 s PHE 65 Cb 0.13 -2.13 -0.06 0.00 -0.57 0.00 0.00 43.02 40.40 2ee0 s PHE 65 CO 0.82 -0.38 0.53 0.00 -0.10 0.00 0.00 175.22 176.09 2ee0 s ALA 66 N 1.33 3.57 -0.12 5.36 0.00 -0.87 -4.40 121.76 126.63 2ee0 s ALA 66 Ca 0.04 -0.05 -0.01 0.00 0.00 0.00 0.00 51.96 51.94 2ee0 s ALA 66 Cb -0.15 -2.61 -0.02 0.00 0.00 0.00 0.00 23.12 20.34 2ee0 s ALA 66 CO 0.01 0.30 -0.09 -1.17 0.00 0.00 0.00 175.76 174.81 2ee0 s LEU 67 N -0.62 2.97 -0.06 0.00 2.96 -1.26 -2.85 118.68 119.82 2ee0 s LEU 67 Ca 0.28 -0.20 -0.12 0.00 -0.22 0.00 0.00 54.13 53.86 2ee0 s LEU 67 Cb -0.18 -1.68 -0.05 0.00 0.50 0.00 0.00 46.19 44.78 2ee0 s LEU 67 CO 0.16 0.21 0.32 0.20 -1.32 0.00 0.00 176.35 175.92 2ee0 s ASN 68 N 0.09 6.64 0.00 3.68 -0.87 -1.24 -4.98 114.94 118.26 2ee0 s ASN 68 Ca -0.03 0.76 0.21 0.00 -1.57 0.00 0.00 52.86 52.23 2ee0 s ASN 68 Cb -0.14 -2.19 0.39 0.00 -0.02 0.00 0.00 41.25 39.29 2ee0 s ASN 68 CO 0.04 0.32 1.35 0.59 -2.57 0.00 0.00 177.10 176.82 2ee0 n ASN 69 N 2.12 3.33 -0.01 -1.22 4.13 -1.26 -2.23 115.26 120.12 2ee0 n ASN 69 Ca -0.15 -1.96 -0.00 0.00 1.68 0.00 0.00 54.58 54.14 2ee0 n ASN 69 Cb 0.53 -0.23 -0.02 0.00 -1.54 0.00 0.00 39.78 38.52 2ee0 n ASN 69 CO 0.00 0.00 0.00 0.35 0.28 0.00 0.00 177.26 177.89 2ee0 n THR 70 N 1.37 0.11 0.00 3.41 -2.24 -1.26 -3.90 114.28 111.76 2ee0 n THR 70 Ca 0.18 -0.08 0.00 0.00 -2.27 0.00 0.00 64.05 61.88 2ee0 n THR 70 Cb 0.57 -0.53 0.00 0.00 -2.10 0.00 0.00 70.33 68.27 2ee0 n THR 70 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2ee0 n THR 71 N -1.94 0.00 -1.83 4.28 -2.24 -1.26 -5.02 114.28 106.27 2ee0 n THR 71 Ca -0.03 -0.07 -0.17 0.00 -2.27 0.00 0.00 64.05 61.51 2ee0 n THR 71 Cb 0.42 0.51 -0.05 0.00 -2.10 0.00 0.00 70.33 69.12 2ee0 n THR 71 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2ee0 n GLY 72 N 1.88 0.90 3.62 3.38 0.00 -0.95 -4.72 105.19 109.31 2ee0 n GLY 72 Ca 0.00 -0.17 -0.38 0.00 0.00 0.00 0.00 46.02 45.46 2ee0 n GLY 72 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2ee0 s LEU 73 N -4.39 4.07 -0.16 0.99 2.96 -1.26 -2.82 118.68 118.08 2ee0 s LEU 73 Ca 0.00 0.25 -0.21 0.00 -0.22 0.00 0.00 54.13 53.95 2ee0 s LEU 73 Cb 0.00 -2.33 -0.03 0.00 0.50 0.00 0.00 46.19 44.33 2ee0 s LEU 73 CO 0.00 -0.09 0.61 -0.63 -1.32 0.00 0.00 176.35 174.91 2ee0 s ILE 74 N 1.69 5.06 0.25 6.68 1.01 -0.86 -3.73 121.20 131.29 2ee0 s ILE 74 Ca 0.13 1.18 0.03 0.00 0.00 0.00 0.00 60.65 61.99 2ee0 s ILE 74 Cb -0.15 -3.93 -0.05 0.00 0.01 0.00 0.00 42.46 38.33 2ee0 s ILE 74 CO 0.09 0.18 0.02 0.42 0.00 0.00 0.00 174.94 175.64 2ee0 s THR 75 N 1.45 1.00 -0.07 2.92 -4.23 -1.13 -1.17 115.64 114.40 2ee0 s THR 75 Ca 0.29 -2.03 -0.30 0.00 -1.18 0.00 0.00 61.69 58.48 2ee0 s THR 75 Cb -0.16 -2.44 -0.02 0.00 1.34 0.00 0.00 72.50 71.22 2ee0 s THR 75 CO 0.12 -0.25 1.08 -0.69 -0.54 0.00 0.00 174.62 174.34 2ee0 s VAL 76 N -3.44 4.58 -0.21 2.29 1.01 -1.11 -2.04 120.40 121.48 2ee0 s VAL 76 Ca 0.31 1.86 -0.02 0.00 0.00 0.00 0.00 61.98 64.13 2ee0 s VAL 76 Cb 0.06 -4.20 -0.20 0.00 0.00 0.00 0.00 36.38 32.04 2ee0 s VAL 76 CO 0.10 0.02 0.00 1.67 0.00 0.00 0.00 175.10 176.90 2ee0 n GLN 77 N 4.90 0.69 -4.08 2.72 7.27 0.58 -1.29 117.38 128.16 2ee0 n GLN 77 Ca 0.09 0.20 -0.10 0.00 0.07 0.00 0.00 57.00 57.27 2ee0 n GLN 77 Cb 0.48 -1.60 -0.09 0.00 2.41 0.00 0.00 30.24 31.45 2ee0 n GLN 77 CO 0.00 0.00 0.00 1.03 0.07 0.00 0.00 177.06 178.16 2ee0 s ARG 78 N -2.53 1.08 0.63 3.69 0.52 -1.15 -4.91 118.95 116.28 2ee0 s ARG 78 Ca -0.30 -1.37 -0.17 0.00 -0.52 0.00 0.00 55.73 53.37 2ee0 s ARG 78 Cb 0.08 0.31 -0.07 0.00 0.52 0.00 0.00 34.95 35.79 2ee0 s ARG 78 CO 0.66 -0.36 0.57 -1.13 0.02 0.00 0.00 175.30 175.06 2ee0 n SER 79 N -0.18 -0.91 -4.65 0.23 3.41 -1.26 -4.91 113.62 105.35 2ee0 n SER 79 Ca -0.05 0.69 -0.30 0.00 -0.26 0.00 0.00 58.87 58.95 2ee0 n SER 79 Cb 0.64 -1.21 -0.09 0.00 -0.26 0.00 0.00 64.21 63.29 2ee0 n SER 79 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2ee0 s LEU 80 N 0.12 3.31 -0.04 1.04 1.43 -0.80 -4.99 118.68 118.76 2ee0 s LEU 80 Ca 0.68 -0.25 0.06 0.00 -1.03 0.00 0.00 54.13 53.60 2ee0 s LEU 80 Cb -0.41 -2.06 -0.01 0.00 0.03 0.00 0.00 46.19 43.74 2ee0 s LEU 80 CO 0.55 0.18 -0.22 -1.81 0.23 0.00 0.00 176.35 175.28 2ee0 s ASP 81 N -2.25 2.61 -0.26 2.29 1.01 -1.26 -4.50 116.67 114.31 2ee0 s ASP 81 Ca 0.24 -0.42 -0.02 0.00 0.71 0.00 0.00 52.55 53.06 2ee0 s ASP 81 Cb -0.11 -0.55 -0.15 0.00 1.01 0.00 0.00 42.92 43.11 2ee0 s ASP 81 CO 0.16 0.23 -0.26 -1.14 0.21 0.00 0.00 175.17 174.37 2ee0 n ARG 82 N 2.85 0.63 -0.51 8.23 0.63 -1.26 -3.76 116.66 123.46 2ee0 n ARG 82 Ca -0.17 0.18 0.42 0.00 -0.92 0.00 0.00 57.85 57.36 2ee0 n ARG 82 Cb 0.52 -1.50 0.65 0.00 0.45 0.00 0.00 32.46 32.58 2ee0 n ARG 82 CO 0.00 0.00 0.00 -0.85 -2.51 0.00 0.00 177.63 174.27 2ee0 n GLU 83 N -3.52 0.00 -0.08 -0.14 -0.00 -1.26 -1.22 120.64 114.43 2ee0 n GLU 83 Ca -0.48 1.01 -0.07 0.00 -0.00 0.00 0.00 57.16 57.62 2ee0 n GLU 83 Cb 0.96 -2.40 -0.02 0.00 -0.00 0.00 0.00 31.44 29.97 2ee0 n GLU 83 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 2ee0 n GLU 84 N -3.59 0.50 -4.02 3.44 4.07 -1.26 -5.00 120.64 114.78 2ee0 n GLU 84 Ca 0.35 0.34 -0.18 0.00 -0.06 0.00 0.00 57.16 57.62 2ee0 n GLU 84 Cb 1.77 -1.54 -0.16 0.00 -0.06 0.00 0.00 31.44 31.45 2ee0 n GLU 84 CO 0.00 0.00 0.00 -0.08 -0.06 0.00 0.00 177.13 176.99 2ee0 s THR 85 N -2.64 0.30 -1.04 6.31 -1.32 -0.35 -5.01 115.64 111.90 2ee0 s THR 85 Ca -0.23 -0.00 0.21 0.00 -1.21 0.00 0.00 61.69 60.46 2ee0 s THR 85 Cb 0.03 -0.36 -0.21 0.00 -1.51 0.00 0.00 72.50 70.45 2ee0 s THR 85 CO 0.34 0.16 0.93 0.00 -2.21 0.00 0.00 174.62 173.85 2ee0 n ALA 86 N 4.00 4.68 -2.61 11.08 0.00 -1.25 -4.01 120.51 132.40 2ee0 n ALA 86 Ca -0.26 -0.59 -0.21 0.00 0.00 0.00 0.00 53.44 52.39 2ee0 n ALA 86 Cb 0.51 -0.79 -0.15 0.00 0.00 0.00 0.00 19.45 19.03 2ee0 n ALA 86 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2ee0 s ILE 87 N -2.98 0.95 -0.05 0.00 1.01 -1.26 0.34 121.20 119.20 2ee0 s ILE 87 Ca 0.08 -0.52 0.04 0.00 0.00 0.00 0.00 60.65 60.25 2ee0 s ILE 87 Cb 0.16 -0.79 0.00 0.00 0.01 0.00 0.00 42.46 41.84 2ee0 s ILE 87 CO 0.85 0.26 -0.16 -1.00 0.00 0.00 0.00 174.94 174.90 2ee0 s HIS 88 N -0.29 1.68 -0.17 3.97 3.76 -0.82 -5.00 115.29 118.42 2ee0 s HIS 88 Ca 0.05 -0.55 0.00 0.00 -0.15 0.00 0.00 55.06 54.41 2ee0 s HIS 88 Cb -0.05 -1.16 0.00 0.00 1.11 0.00 0.00 32.58 32.49 2ee0 s HIS 88 CO -0.00 -0.22 -0.16 0.15 -0.85 0.00 0.00 174.74 173.66 2ee0 s LYS 89 N 0.27 3.15 -0.01 1.40 -0.14 -1.26 -2.09 119.74 121.06 2ee0 s LYS 89 Ca -0.09 -0.77 0.02 0.00 -1.36 0.00 0.00 55.97 53.78 2ee0 s LYS 89 Cb -0.13 -2.64 0.00 0.00 -1.68 0.00 0.00 37.83 33.38 2ee0 s LYS 89 CO 0.03 -0.08 -0.06 0.08 -0.76 0.00 0.00 175.35 174.56 2ee0 s VAL 90 N 1.04 0.54 -0.05 3.17 1.01 -1.23 -4.75 120.40 120.12 2ee0 s VAL 90 Ca -0.01 -0.26 0.06 0.00 0.00 0.00 0.00 61.98 61.77 2ee0 s VAL 90 Cb -0.15 -0.48 -0.02 0.00 0.00 0.00 0.00 36.38 35.74 2ee0 s VAL 90 CO -0.04 0.17 -0.22 -0.89 0.00 0.00 0.00 175.10 174.11 2ee0 s THR 91 N 0.07 2.32 0.05 3.92 2.01 -1.26 -2.01 115.64 120.74 2ee0 s THR 91 Ca -0.00 -0.98 0.06 0.00 0.31 0.00 0.00 61.69 61.07 2ee0 s THR 91 Cb -0.05 -1.86 -0.04 0.00 0.01 0.00 0.00 72.50 70.57 2ee0 s THR 91 CO -0.00 0.57 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.71 2ee0 s VAL 92 N -0.37 3.38 -0.20 3.82 1.01 -1.20 0.32 120.40 127.15 2ee0 s VAL 92 Ca 0.03 -1.05 -0.02 0.00 0.00 0.00 0.00 61.98 60.94 2ee0 s VAL 92 Cb -0.12 -2.51 0.00 0.00 0.00 0.00 0.00 36.38 33.75 2ee0 s VAL 92 CO 0.02 0.27 -0.11 -0.76 0.00 0.00 0.00 175.10 174.51 2ee0 s LEU 93 N -1.75 2.57 -0.14 3.92 1.43 0.16 -3.60 118.68 121.27 2ee0 s LEU 93 Ca 0.18 -0.49 -0.06 0.00 -1.03 0.00 0.00 54.13 52.73 2ee0 s LEU 93 Cb -0.11 -1.63 -0.04 0.00 0.03 0.00 0.00 46.19 44.44 2ee0 s LEU 93 CO 0.10 -0.00 0.07 0.00 0.23 0.00 0.00 176.35 176.75 2ee0 s ALA 94 N 1.34 3.52 -0.09 4.21 0.00 -1.21 -2.68 121.76 126.85 2ee0 s ALA 94 Ca 0.04 -0.73 -0.05 0.00 0.00 0.00 0.00 51.96 51.22 2ee0 s ALA 94 Cb -0.14 -1.83 0.04 0.00 0.00 0.00 0.00 23.12 21.19 2ee0 s ALA 94 CO -0.07 0.40 0.22 0.45 0.00 0.00 0.00 175.76 176.76 2ee0 s SER 95 N -0.32 -0.22 0.00 0.00 0.15 -1.20 -2.18 113.70 109.92 2ee0 s SER 95 Ca 0.09 0.46 0.00 0.00 0.70 0.00 0.00 55.95 57.20 2ee0 s SER 95 Cb -0.12 0.37 0.00 0.00 -1.71 0.00 0.00 66.02 64.56 2ee0 s SER 95 CO 0.02 -0.14 0.00 -0.90 1.20 0.00 0.00 173.24 173.42 2ee0 n ASP 96 N 3.89 2.04 -0.52 5.45 5.68 -1.26 -2.85 116.55 128.99 2ee0 n ASP 96 Ca -0.22 0.00 -0.01 0.00 -0.50 0.00 0.00 54.79 54.06 2ee0 n ASP 96 Cb 0.54 0.09 -0.01 0.00 -1.14 0.00 0.00 41.12 40.61 2ee0 n ASP 96 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2ee0 n GLY 97 N 2.14 -0.40 2.75 6.12 0.00 -1.26 -4.81 105.19 109.73 2ee0 n GLY 97 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 2ee0 n GLY 97 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2ee0 n SER 98 N 0.00 2.76 0.00 1.61 7.64 -1.26 -4.98 113.62 119.38 2ee0 n SER 98 Ca -0.02 -2.56 0.00 0.00 1.01 0.00 0.00 58.87 57.30 2ee0 n SER 98 Cb 0.28 0.15 0.00 0.00 -1.01 0.00 0.00 64.21 63.63 2ee0 n SER 98 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2ee0 n SER 99 N -1.48 0.00 -4.81 6.43 7.64 -1.26 -4.88 113.62 115.26 2ee0 n SER 99 Ca -0.10 0.39 -0.36 0.00 1.01 0.00 0.00 58.87 59.80 2ee0 n SER 99 Cb 0.47 -0.25 -0.07 0.00 -1.01 0.00 0.00 64.21 63.36 2ee0 n SER 99 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2ee0 s THR 100 N -0.91 5.17 1.01 0.44 -4.23 -1.26 -5.10 115.64 110.76 2ee0 s THR 100 Ca 0.00 0.08 -0.12 0.00 -1.18 0.00 0.00 61.69 60.47 2ee0 s THR 100 Cb 0.00 -3.24 0.19 0.00 1.34 0.00 0.00 72.50 70.79 2ee0 s THR 100 CO 0.00 0.60 1.09 -2.16 -0.54 0.00 0.00 174.62 173.61 2ee0 s PRO 101 N -0.86 0.33 0.45 3.99 0.04 -1.26 -5.00 135.00 132.70 2ee0 s PRO 101 Ca 0.14 0.49 -0.09 0.00 0.04 0.00 0.00 61.00 61.58 2ee0 s PRO 101 Cb -0.12 -1.73 -0.05 0.00 0.04 0.00 0.00 34.50 32.64 2ee0 s PRO 101 CO 0.03 -2.79 0.80 0.00 0.04 0.00 0.00 177.00 175.08 2ee0 s ALA 102 N -2.96 3.34 -0.08 8.56 0.00 -0.93 -4.79 121.76 124.90 2ee0 s ALA 102 Ca 0.65 -0.28 0.05 0.00 0.00 0.00 0.00 51.96 52.39 2ee0 s ALA 102 Cb -0.19 -2.71 -0.01 0.00 0.00 0.00 0.00 23.12 20.22 2ee0 s ALA 102 CO 0.58 -0.18 -0.24 1.03 0.00 0.00 0.00 175.76 176.95 2ee0 s ARG 103 N -4.24 2.77 -0.16 0.00 0.52 -1.26 -3.30 118.95 113.27 2ee0 s ARG 103 Ca 0.50 -0.88 -0.04 0.00 -0.52 0.00 0.00 55.73 54.79 2ee0 s ARG 103 Cb -0.10 -2.24 0.08 0.00 0.52 0.00 0.00 34.95 33.21 2ee0 s ARG 103 CO 0.37 0.30 0.24 0.00 0.02 0.00 0.00 175.30 176.24 2ee0 s ALA 104 N 0.03 -0.42 0.15 2.13 0.00 -1.24 -4.98 121.76 117.44 2ee0 s ALA 104 Ca -0.09 0.59 -0.23 0.00 0.00 0.00 0.00 51.96 52.23 2ee0 s ALA 104 Cb -0.15 -1.17 -0.08 0.00 0.00 0.00 0.00 23.12 21.72 2ee0 s ALA 104 CO 0.06 -0.92 0.72 0.99 0.00 0.00 0.00 175.76 176.61 2ee0 s THR 105 N 2.37 4.47 -0.25 0.00 2.01 -1.18 -3.24 115.64 119.82 2ee0 s THR 105 Ca 0.05 1.55 0.01 0.00 0.31 0.00 0.00 61.69 63.60 2ee0 s THR 105 Cb -0.14 -4.05 0.07 0.00 0.01 0.00 0.00 72.50 68.39 2ee0 s THR 105 CO -0.10 0.49 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.59 2ee0 s VAL 106 N -1.19 1.64 -0.41 3.82 1.01 -0.85 -3.62 120.40 120.79 2ee0 s VAL 106 Ca 0.35 -1.40 -0.26 0.00 0.00 0.00 0.00 61.98 60.67 2ee0 s VAL 106 Cb -0.22 -1.94 0.02 0.00 0.00 0.00 0.00 36.38 34.25 2ee0 s VAL 106 CO 0.24 -0.19 0.96 -0.89 0.00 0.00 0.00 175.10 175.23 2ee0 s THR 107 N 1.32 4.49 -0.33 3.92 2.01 -0.74 -3.57 115.64 122.74 2ee0 s THR 107 Ca -0.03 1.07 -0.07 0.00 0.31 0.00 0.00 61.69 62.97 2ee0 s THR 107 Cb -0.19 -4.41 0.03 0.00 0.01 0.00 0.00 72.50 67.94 2ee0 s THR 107 CO -0.08 -0.70 0.11 -0.63 -0.69 0.00 0.00 174.62 172.63 2ee0 s ILE 108 N 3.72 3.89 0.09 1.82 1.01 -0.89 -1.93 121.20 128.92 2ee0 s ILE 108 Ca 0.40 -1.01 -0.25 0.00 0.00 0.00 0.00 60.65 59.78 2ee0 s ILE 108 Cb -0.11 -3.16 -0.06 0.00 0.01 0.00 0.00 42.46 39.14 2ee0 s ILE 108 CO 0.23 -0.13 0.78 0.20 0.00 0.00 0.00 174.94 176.02 2ee0 s ASN 109 N 1.44 7.29 -0.23 3.58 0.01 0.11 -1.95 114.94 125.18 2ee0 s ASN 109 Ca -0.00 1.53 -0.09 0.00 -0.71 0.00 0.00 52.86 53.59 2ee0 s ASN 109 Cb -0.19 -2.48 -0.04 0.00 0.41 0.00 0.00 41.25 38.95 2ee0 s ASN 109 CO 0.03 0.08 0.11 -0.69 -1.51 0.00 0.00 177.10 175.13 2ee0 s VAL 110 N -0.46 4.89 0.50 1.60 1.01 0.15 -1.82 120.40 126.27 2ee0 s VAL 110 Ca 0.38 0.02 0.06 0.00 0.00 0.00 0.00 61.98 62.43 2ee0 s VAL 110 Cb -0.22 -3.27 0.01 0.00 0.00 0.00 0.00 36.38 32.90 2ee0 s VAL 110 CO 0.24 0.36 0.31 0.42 0.00 0.00 0.00 175.10 176.43 2ee0 s THR 111 N 1.14 1.85 0.61 3.92 -4.23 -0.71 -4.90 115.64 113.31 2ee0 s THR 111 Ca 0.06 -1.58 -0.06 0.00 -1.18 0.00 0.00 61.69 58.93 2ee0 s THR 111 Cb -0.14 -2.43 0.13 0.00 1.34 0.00 0.00 72.50 71.40 2ee0 s THR 111 CO 0.04 0.00 0.83 -0.90 -0.54 0.00 0.00 174.62 174.05 2ee0 n ASP 112 N -1.57 0.55 -3.65 3.99 5.68 -1.26 -0.96 116.55 119.33 2ee0 n ASP 112 Ca -0.03 -1.60 -0.19 0.00 -0.50 0.00 0.00 54.79 52.47 2ee0 n ASP 112 Cb 0.64 -0.59 -0.17 0.00 -1.14 0.00 0.00 41.12 39.87 2ee0 n ASP 112 CO 0.00 0.00 0.00 0.68 -1.33 0.00 0.00 177.20 176.55 2ee0 s VAL 113 N -2.60 -0.18 -2.64 2.12 -7.23 -1.26 -4.52 120.40 104.10 2ee0 s VAL 113 Ca 0.51 0.31 0.27 0.00 -1.81 0.00 0.00 61.98 61.26 2ee0 s VAL 113 Cb -0.02 -0.28 0.45 0.00 0.56 0.00 0.00 36.38 37.09 2ee0 s VAL 113 CO 0.35 0.10 1.61 -3.20 -0.31 0.00 0.00 175.10 173.65