#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 2.82 -0.44 1.61 1.04 -1.26 -5.10 113.70 112.37 2ee0 s SER 2 Ca 0.00 -1.48 -0.29 0.00 0.48 0.00 0.00 55.95 54.66 2ee0 s SER 2 Cb 0.00 0.09 0.03 0.00 0.10 0.00 0.00 66.02 66.23 2ee0 s SER 2 CO 0.00 -0.70 1.12 -0.55 0.98 0.00 0.00 173.24 174.09 2ee0 s SER 3 N -3.58 6.70 0.20 7.02 0.15 -1.26 -5.02 113.70 117.91 2ee0 s SER 3 Ca 0.30 0.59 0.06 0.00 0.70 0.00 0.00 55.95 57.61 2ee0 s SER 3 Cb 0.07 -2.55 -0.04 0.00 -1.71 0.00 0.00 66.02 61.79 2ee0 s SER 3 CO 0.14 -1.16 0.12 -0.83 1.20 0.00 0.00 173.24 172.71 2ee0 s GLY 4 N 2.27 1.63 0.00 9.45 0.00 -1.26 -5.01 107.32 114.39 2ee0 s GLY 4 Ca 0.47 -1.33 0.24 0.00 0.00 0.00 0.00 44.72 44.10 2ee0 s GLY 4 CO 0.28 -1.36 1.55 -1.14 0.00 0.00 0.00 173.10 172.43 2ee0 n SER 5 N -0.58 2.08 -3.77 1.64 3.41 -1.26 -4.61 113.62 110.53 2ee0 n SER 5 Ca -0.08 -1.73 -0.29 0.00 -0.26 0.00 0.00 58.87 56.51 2ee0 n SER 5 Cb 0.56 -0.08 -0.13 0.00 -0.26 0.00 0.00 64.21 64.30 2ee0 n SER 5 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2ee0 s SER 6 N -1.77 3.81 0.00 4.04 0.15 -1.26 -4.97 113.70 113.71 2ee0 s SER 6 Ca 0.34 -2.82 0.00 0.00 0.70 0.00 0.00 55.95 54.18 2ee0 s SER 6 Cb 0.20 -1.20 0.00 0.00 -1.71 0.00 0.00 66.02 63.31 2ee0 s SER 6 CO 0.30 -0.24 0.00 0.61 1.20 0.00 0.00 173.24 175.11 2ee0 n GLY 7 N 3.31 -2.70 3.06 9.45 0.00 -1.26 -5.12 105.19 111.94 2ee0 n GLY 7 Ca 0.09 -0.45 -0.10 0.00 0.00 0.00 0.00 46.02 45.57 2ee0 n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ee0 s ASN 8 N 0.00 0.14 -0.06 1.61 6.03 -1.26 -4.79 114.94 116.61 2ee0 s ASN 8 Ca 0.00 -0.40 -0.09 0.00 -1.03 0.00 0.00 52.86 51.34 2ee0 s ASN 8 Cb 0.00 0.17 -0.05 0.00 -3.03 0.00 0.00 41.25 38.34 2ee0 s ASN 8 CO 0.00 -0.38 0.37 -2.24 -2.03 0.00 0.00 177.10 172.82 2ee0 h ASP 9 N 4.26 -0.26 -6.30 3.54 2.03 -1.98 -3.47 116.42 114.24 2ee0 h ASP 9 Ca -0.32 -0.01 -0.48 0.00 -0.73 0.00 0.00 57.03 55.50 2ee0 h ASP 9 Cb 1.20 0.07 -0.15 0.00 -0.83 0.00 0.00 39.33 39.61 2ee0 h ASP 9 CO 0.43 0.21 -0.73 -3.20 -1.03 0.00 0.00 179.24 174.93 2ee0 n ASN 10 N -4.98 -3.54 -3.88 4.15 2.85 -1.26 -4.93 115.26 103.67 2ee0 n ASN 10 Ca -0.04 -0.78 -0.11 0.00 -0.11 0.00 0.00 54.58 53.54 2ee0 n ASN 10 Cb 0.13 -2.90 -0.10 0.00 1.24 0.00 0.00 39.78 38.15 2ee0 n ASN 10 CO 0.00 0.00 0.00 -0.13 -2.11 0.00 0.00 177.26 175.02 2ee0 s ARG 11 N -6.60 0.50 -0.45 1.20 0.52 -1.26 -5.00 118.95 107.85 2ee0 s ARG 11 Ca 0.63 -0.44 -0.28 0.00 -0.52 0.00 0.00 55.73 55.12 2ee0 s ARG 11 Cb -0.34 0.21 -0.01 0.00 0.52 0.00 0.00 34.95 35.32 2ee0 s ARG 11 CO 0.77 -0.12 1.76 -1.25 0.02 0.00 0.00 175.30 176.48 2ee0 s PRO 12 N -1.52 3.10 0.08 3.54 0.04 -1.26 -4.81 135.00 134.16 2ee0 s PRO 12 Ca -0.14 1.04 -0.23 0.00 0.04 0.00 0.00 61.00 61.70 2ee0 s PRO 12 Cb -0.07 -4.24 -0.06 0.00 0.04 0.00 0.00 34.50 30.16 2ee0 s PRO 12 CO 0.01 -2.15 0.71 0.08 0.04 0.00 0.00 177.00 175.69 2ee0 s VAL 13 N 7.49 4.66 0.30 -0.36 1.01 -1.25 -4.66 120.40 127.59 2ee0 s VAL 13 Ca 0.72 1.52 -0.15 0.00 0.00 0.00 0.00 61.98 64.07 2ee0 s VAL 13 Cb -0.17 -4.06 -0.09 0.00 0.00 0.00 0.00 36.38 32.06 2ee0 s VAL 13 CO 0.28 0.45 0.72 -0.36 0.00 0.00 0.00 175.10 176.19 2ee0 s PHE 14 N -0.55 3.41 0.05 5.22 0.08 -1.26 -4.22 117.98 120.70 2ee0 s PHE 14 Ca 0.35 1.21 -0.25 0.00 0.12 0.00 0.00 56.93 58.36 2ee0 s PHE 14 Cb -0.21 -2.52 -0.17 0.00 -0.57 0.00 0.00 43.02 39.55 2ee0 s PHE 14 CO 0.22 0.14 1.53 -0.22 -0.10 0.00 0.00 175.22 176.79 2ee0 h LYS 15 N 2.42 -0.10 -3.19 0.44 3.64 -1.97 -3.42 116.57 114.39 2ee0 h LYS 15 Ca -0.48 0.01 -0.47 0.00 -1.27 0.00 0.00 60.65 58.44 2ee0 h LYS 15 Cb 1.18 0.02 -0.41 0.00 -0.41 0.00 0.00 32.23 32.61 2ee0 h LYS 15 CO 0.66 0.10 -0.75 -1.21 -2.27 0.00 0.00 179.45 175.98 2ee0 s GLU 16 N -5.42 0.21 0.17 1.90 8.01 -1.26 -5.04 118.70 117.27 2ee0 s GLU 16 Ca -0.14 -0.15 -0.23 0.00 0.01 0.00 0.00 54.97 54.45 2ee0 s GLU 16 Cb 0.04 -1.85 0.06 0.00 -4.31 0.00 0.00 34.13 28.07 2ee0 s GLU 16 CO 0.65 -0.65 1.59 0.78 0.01 0.00 0.00 175.26 177.64 2ee0 h GLY 17 N 8.37 -0.26 -4.84 -1.39 0.00 -1.91 -3.41 103.07 99.64 2ee0 h GLY 17 Ca -0.15 0.44 -0.69 0.00 0.00 0.00 0.00 47.33 46.92 2ee0 h GLY 17 CO 0.30 -0.20 -0.89 1.62 0.00 0.00 0.00 176.54 177.37 2ee0 s GLN 18 N -5.98 2.40 -0.12 4.80 0.74 -1.26 -2.30 119.66 117.94 2ee0 s GLN 18 Ca -0.15 -0.91 -0.05 0.00 0.05 0.00 0.00 55.36 54.30 2ee0 s GLN 18 Cb 0.14 -2.12 0.06 0.00 1.10 0.00 0.00 33.01 32.18 2ee0 s GLN 18 CO 0.68 0.44 0.27 0.08 -0.55 0.00 0.00 175.29 176.21 2ee0 s VAL 19 N -0.32 -0.20 -0.12 1.34 1.01 -1.23 -5.04 120.40 115.84 2ee0 s VAL 19 Ca 0.01 0.20 -0.14 0.00 0.00 0.00 0.00 61.98 62.04 2ee0 s VAL 19 Cb -0.12 -0.43 -0.05 0.00 0.00 0.00 0.00 36.38 35.78 2ee0 s VAL 19 CO 0.02 0.08 0.34 -0.70 0.00 0.00 0.00 175.10 174.84 2ee0 s GLU 20 N 1.75 4.15 0.08 2.72 2.12 -1.26 -2.42 118.70 125.83 2ee0 s GLU 20 Ca -0.05 0.20 0.06 0.00 0.36 0.00 0.00 54.97 55.54 2ee0 s GLU 20 Cb -0.11 -3.37 -0.03 0.00 0.26 0.00 0.00 34.13 30.88 2ee0 s GLU 20 CO -0.09 0.35 -0.17 0.14 -0.54 0.00 0.00 175.26 174.95 2ee0 s VAL 21 N 0.10 1.34 -0.36 3.70 -7.23 -0.89 -5.03 120.40 112.03 2ee0 s VAL 21 Ca 0.19 -1.34 -0.04 0.00 -1.81 0.00 0.00 61.98 58.98 2ee0 s VAL 21 Cb -0.14 -1.24 0.07 0.00 0.56 0.00 0.00 36.38 35.63 2ee0 s VAL 21 CO 0.07 -0.12 0.12 -1.00 -0.31 0.00 0.00 175.10 173.86 2ee0 s HIS 22 N -1.16 3.39 -0.05 2.82 3.76 -1.26 -1.62 115.29 121.17 2ee0 s HIS 22 Ca 0.02 -1.95 0.06 0.00 -0.15 0.00 0.00 55.06 53.04 2ee0 s HIS 22 Cb -0.10 -2.64 -0.01 0.00 1.11 0.00 0.00 32.58 30.94 2ee0 s HIS 22 CO 0.03 -0.86 -0.24 -1.50 -0.85 0.00 0.00 174.74 171.32 2ee0 s ILE 23 N 1.26 1.98 0.83 0.60 2.07 -0.82 -4.95 121.20 122.17 2ee0 s ILE 23 Ca 0.01 -1.03 -0.11 0.00 -1.41 0.00 0.00 60.65 58.11 2ee0 s ILE 23 Cb -0.21 -1.67 0.09 0.00 0.13 0.00 0.00 42.46 40.80 2ee0 s ILE 23 CO -0.01 0.55 1.09 -2.16 -1.91 0.00 0.00 174.94 172.50 2ee0 s PRO 24 N -0.21 1.77 0.34 3.50 0.04 -1.26 -1.51 135.00 137.68 2ee0 s PRO 24 Ca -0.02 1.00 0.23 0.00 0.04 0.00 0.00 61.00 62.26 2ee0 s PRO 24 Cb -0.13 -1.85 0.32 0.00 0.04 0.00 0.00 34.50 32.87 2ee0 s PRO 24 CO 0.03 -1.93 1.49 1.05 0.04 0.00 0.00 177.00 177.67 2ee0 h GLU 25 N -1.33 0.00 -0.44 4.56 4.11 -1.79 -3.22 114.58 116.46 2ee0 h GLU 25 Ca -0.46 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.97 2ee0 h GLU 25 Cb 1.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.51 2ee0 h GLU 25 CO 0.53 0.00 0.00 -1.71 0.07 0.00 0.00 179.01 177.90 2ee0 n ASN 26 N -2.86 4.80 -4.69 3.06 5.15 -1.26 -3.58 115.26 115.88 2ee0 n ASN 26 Ca 0.03 -2.91 -0.40 0.00 -0.60 0.00 0.00 54.58 50.70 2ee0 n ASN 26 Cb 0.52 -0.61 0.02 0.00 -0.53 0.00 0.00 39.78 39.18 2ee0 n ASN 26 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2ee0 n ALA 27 N 0.17 1.11 -1.77 5.20 0.00 -1.22 -4.95 120.51 119.04 2ee0 n ALA 27 Ca 0.24 0.22 -0.35 0.00 0.00 0.00 0.00 53.44 53.55 2ee0 n ALA 27 Cb 1.03 -2.24 -0.00 0.00 0.00 0.00 0.00 19.45 18.23 2ee0 n ALA 27 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2ee0 s PRO 28 N -2.33 3.44 -0.16 0.00 0.04 -1.26 -4.80 135.00 129.92 2ee0 s PRO 28 Ca 0.64 1.65 -0.29 0.00 0.04 0.00 0.00 61.00 63.04 2ee0 s PRO 28 Cb -0.49 -2.09 -0.03 0.00 0.04 0.00 0.00 34.50 31.93 2ee0 s PRO 28 CO 0.56 -0.79 1.57 0.08 0.04 0.00 0.00 177.00 178.46 2ee0 s VAL 29 N -1.72 3.76 0.00 -0.36 1.01 -1.26 -2.81 120.40 119.02 2ee0 s VAL 29 Ca 0.71 0.89 0.00 0.00 0.00 0.00 0.00 61.98 63.58 2ee0 s VAL 29 Cb -0.25 -3.69 0.00 0.00 0.00 0.00 0.00 36.38 32.45 2ee0 s VAL 29 CO 0.29 -0.20 0.00 0.61 0.00 0.00 0.00 175.10 175.79 2ee0 n GLY 30 N 4.33 1.04 3.76 4.51 0.00 -0.81 -5.00 105.19 113.02 2ee0 n GLY 30 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 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 2.89 -0.25 2.61 2.01 -1.12 -4.72 115.64 115.07 2ee0 s THR 31 Ca 0.00 0.46 -0.17 0.00 0.31 0.00 0.00 61.69 62.29 2ee0 s THR 31 Cb 0.00 -3.04 -0.03 0.00 0.01 0.00 0.00 72.50 69.44 2ee0 s THR 31 CO 0.00 -0.21 0.47 -0.94 -0.69 0.00 0.00 174.62 173.25 2ee0 s SER 32 N -2.15 6.41 0.00 3.53 1.04 -1.26 -2.34 113.70 118.93 2ee0 s SER 32 Ca 0.71 0.49 0.00 0.00 0.48 0.00 0.00 55.95 57.63 2ee0 s SER 32 Cb -0.25 -2.26 0.00 0.00 0.10 0.00 0.00 66.02 63.61 2ee0 s SER 32 CO 0.39 -0.22 0.00 0.52 0.98 0.00 0.00 173.24 174.90 2ee0 n VAL 33 N 4.96 0.00 -4.09 5.02 0.31 -0.80 -5.03 118.33 118.70 2ee0 n VAL 33 Ca -0.06 0.49 -0.15 0.00 -0.01 0.00 0.00 64.34 64.62 2ee0 n VAL 33 Cb 0.50 -1.48 -0.14 0.00 -0.91 0.00 0.00 33.84 31.81 2ee0 n VAL 33 CO 0.00 0.00 0.00 -0.51 -1.32 0.00 0.00 176.83 175.00 2ee0 s ILE 34 N -0.98 0.33 -0.45 2.52 1.10 -1.22 -5.01 121.20 117.48 2ee0 s ILE 34 Ca 0.00 -0.29 -0.03 0.00 -0.51 0.00 0.00 60.65 59.83 2ee0 s ILE 34 Cb 0.00 -0.30 0.12 0.00 0.15 0.00 0.00 42.46 42.43 2ee0 s ILE 34 CO 0.00 0.02 0.25 -1.58 -2.11 0.00 0.00 174.94 171.53 2ee0 s GLN 35 N -0.29 2.12 0.03 3.50 0.74 -1.26 -2.33 119.66 122.17 2ee0 s GLN 35 Ca -0.00 -1.98 -0.21 0.00 0.05 0.00 0.00 55.36 53.22 2ee0 s GLN 35 Cb -0.03 -3.61 -0.06 0.00 1.10 0.00 0.00 33.01 30.41 2ee0 s GLN 35 CO -0.00 -1.10 0.61 -0.51 -0.55 0.00 0.00 175.29 173.74 2ee0 s LEU 36 N 0.87 4.46 -0.04 3.68 1.43 -1.14 -5.03 118.68 122.91 2ee0 s LEU 36 Ca 0.10 1.23 0.00 0.00 -1.03 0.00 0.00 54.13 54.44 2ee0 s LEU 36 Cb -0.22 -2.95 0.03 0.00 0.03 0.00 0.00 46.19 43.07 2ee0 s LEU 36 CO -0.04 0.16 -0.01 -2.28 0.23 0.00 0.00 176.35 174.40 2ee0 s HIS 37 N -0.52 0.53 -0.04 0.29 2.46 -1.26 -4.59 115.29 112.17 2ee0 s HIS 37 Ca 0.31 -0.10 0.02 0.00 0.47 0.00 0.00 55.06 55.76 2ee0 s HIS 37 Cb -0.19 -0.58 0.01 0.00 -0.13 0.00 0.00 32.58 31.69 2ee0 s HIS 37 CO 0.19 -0.19 -0.08 0.00 -2.47 0.00 0.00 174.74 172.19 2ee0 s ALA 38 N 1.18 0.84 0.20 1.58 0.00 -1.26 -3.85 121.76 120.44 2ee0 s ALA 38 Ca -0.07 -0.24 0.06 0.00 0.00 0.00 0.00 51.96 51.70 2ee0 s ALA 38 Cb -0.14 -0.38 -0.05 0.00 0.00 0.00 0.00 23.12 22.56 2ee0 s ALA 38 CO -0.02 0.09 -0.10 0.95 0.00 0.00 0.00 175.76 176.68 2ee0 s THR 39 N 0.48 1.42 0.03 0.00 -4.23 -1.26 -4.94 115.64 107.13 2ee0 s THR 39 Ca -0.07 -2.12 -0.06 0.00 -1.18 0.00 0.00 61.69 58.25 2ee0 s THR 39 Cb -0.11 -2.07 -0.01 0.00 1.34 0.00 0.00 72.50 71.65 2ee0 s THR 39 CO 0.01 -0.58 0.11 -0.62 -0.54 0.00 0.00 174.62 173.00 2ee0 s ASP 40 N -3.28 0.13 -0.87 3.99 2.15 -1.26 -3.89 116.67 113.63 2ee0 s ASP 40 Ca 0.22 -0.42 -0.25 0.00 0.43 0.00 0.00 52.55 52.54 2ee0 s ASP 40 Cb 0.02 0.21 -0.19 0.00 -0.30 0.00 0.00 42.92 42.66 2ee0 s ASP 40 CO 0.05 -0.45 1.92 0.00 -0.17 0.00 0.00 175.17 176.52 2ee0 n ALA 41 N 1.05 1.60 -3.45 3.66 0.00 -1.26 -4.83 120.51 117.27 2ee0 n ALA 41 Ca -0.21 -2.84 -0.44 0.00 0.00 0.00 0.00 53.44 49.96 2ee0 n ALA 41 Cb 0.57 -3.53 -0.05 0.00 0.00 0.00 0.00 19.45 16.44 2ee0 n ALA 41 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2ee0 s ASP 42 N 6.73 6.20 -0.75 0.00 1.01 -1.26 -5.01 116.67 123.58 2ee0 s ASP 42 Ca 0.69 -2.56 -0.15 0.00 0.71 0.00 0.00 52.55 51.24 2ee0 s ASP 42 Cb 0.04 -2.10 0.18 0.00 1.01 0.00 0.00 42.92 42.06 2ee0 s ASP 42 CO 0.18 -0.56 0.73 0.27 0.21 0.00 0.00 175.17 176.00 2ee0 s ILE 43 N 0.37 5.38 0.00 0.77 -4.36 -1.26 -4.47 121.20 117.64 2ee0 s ILE 43 Ca 0.15 -2.06 0.00 0.00 -0.26 0.00 0.00 60.65 58.48 2ee0 s ILE 43 Cb -0.16 -4.47 0.00 0.00 1.25 0.00 0.00 42.46 39.08 2ee0 s ILE 43 CO -0.05 -1.04 0.00 0.61 0.24 0.00 0.00 174.94 174.69 2ee0 n GLY 44 N 4.50 3.28 2.98 6.27 0.00 -1.26 -5.06 105.19 115.90 2ee0 n GLY 44 Ca 0.07 -0.64 -0.29 0.00 0.00 0.00 0.00 46.02 45.15 2ee0 n GLY 44 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ee0 s SER 45 N 0.00 2.78 0.15 1.61 0.01 -1.26 -5.11 113.70 111.88 2ee0 s SER 45 Ca 0.00 -0.56 -0.30 0.00 1.31 0.00 0.00 55.95 56.39 2ee0 s SER 45 Cb 0.00 -1.11 -0.08 0.00 0.21 0.00 0.00 66.02 65.04 2ee0 s SER 45 CO 0.00 -0.10 1.25 0.54 0.41 0.00 0.00 173.24 175.34 2ee0 s ASN 46 N 1.52 7.01 -0.71 2.44 4.22 -1.26 -4.83 114.94 123.31 2ee0 s ASN 46 Ca 0.03 2.24 -0.11 0.00 -2.14 0.00 0.00 52.86 52.88 2ee0 s ASN 46 Cb -0.14 -2.60 0.19 0.00 1.28 0.00 0.00 41.25 39.98 2ee0 s ASN 46 CO -0.10 -0.47 0.62 0.00 -2.04 0.00 0.00 177.10 175.12 2ee0 s ALA 47 N 0.38 3.86 -0.83 3.54 0.00 -1.26 -5.00 121.76 122.45 2ee0 s ALA 47 Ca 0.57 -3.14 -0.19 0.00 0.00 0.00 0.00 51.96 49.19 2ee0 s ALA 47 Cb -0.33 -3.23 -0.20 0.00 0.00 0.00 0.00 23.12 19.35 2ee0 s ALA 47 CO 0.35 -2.17 2.19 -1.91 0.00 0.00 0.00 175.76 174.21 2ee0 n GLU 48 N 4.11 0.30 -1.75 0.00 2.13 -1.26 -4.83 120.64 119.33 2ee0 n GLU 48 Ca 0.07 -0.68 -0.42 0.00 0.66 0.00 0.00 57.16 56.79 2ee0 n GLU 48 Cb 0.44 -2.80 -0.03 0.00 0.27 0.00 0.00 31.44 29.32 2ee0 n GLU 48 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 2ee0 s ILE 49 N 10.09 3.16 0.01 6.31 1.01 -1.26 -4.89 121.20 135.63 2ee0 s ILE 49 Ca 0.95 0.19 -0.09 0.00 0.00 0.00 0.00 60.65 61.70 2ee0 s ILE 49 Cb -0.30 -3.13 -0.05 0.00 0.01 0.00 0.00 42.46 38.98 2ee0 s ILE 49 CO 0.22 -0.03 0.31 -0.13 0.00 0.00 0.00 174.94 175.31 2ee0 s ARG 50 N 4.64 3.66 -0.27 2.79 1.81 -1.10 -4.88 118.95 125.60 2ee0 s ARG 50 Ca 0.86 0.06 -0.03 0.00 -1.72 0.00 0.00 55.73 54.90 2ee0 s ARG 50 Cb -0.39 -3.09 0.03 0.00 -0.45 0.00 0.00 34.95 31.05 2ee0 s ARG 50 CO 0.38 0.65 -0.01 0.71 -0.68 0.00 0.00 175.30 176.35 2ee0 s TYR 51 N -1.26 3.13 0.28 -0.53 1.51 -1.26 -3.28 117.35 115.94 2ee0 s TYR 51 Ca 0.27 -1.48 0.11 0.00 -1.01 0.00 0.00 57.07 54.96 2ee0 s TYR 51 Cb -0.14 -2.12 -0.05 0.00 -0.11 0.00 0.00 41.96 39.54 2ee0 s TYR 51 CO 0.15 -0.71 -0.19 0.96 -1.11 0.00 0.00 175.55 174.65 2ee0 s ILE 52 N 1.35 2.39 0.17 2.71 -4.36 -1.21 -4.05 121.20 118.21 2ee0 s ILE 52 Ca -0.00 -2.37 -0.31 0.00 -0.26 0.00 0.00 60.65 57.70 2ee0 s ILE 52 Cb -0.17 -2.31 -0.09 0.00 1.25 0.00 0.00 42.46 41.13 2ee0 s ILE 52 CO -0.02 -0.40 1.43 -0.36 0.24 0.00 0.00 174.94 175.83 2ee0 s PHE 53 N -2.56 3.16 0.00 1.37 0.08 -1.26 -2.60 117.98 116.16 2ee0 s PHE 53 Ca 0.30 0.93 0.00 0.00 0.12 0.00 0.00 56.93 58.28 2ee0 s PHE 53 Cb -0.04 -3.76 0.00 0.00 -0.57 0.00 0.00 43.02 38.65 2ee0 s PHE 53 CO 0.14 -2.61 0.00 0.41 -0.10 0.00 0.00 175.22 173.06 2ee0 n GLY 54 N 3.12 -3.28 3.93 4.36 0.00 -0.71 -4.91 105.19 107.70 2ee0 n GLY 54 Ca 0.10 -1.09 -0.26 0.00 0.00 0.00 0.00 46.02 44.77 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 -2.03 3.84 -1.28 4.61 0.00 -1.26 -4.42 121.76 121.22 2ee0 s ALA 55 Ca 0.00 -0.90 -0.07 0.00 0.00 0.00 0.00 51.96 50.99 2ee0 s ALA 55 Cb 0.00 -1.96 0.01 0.00 0.00 0.00 0.00 23.12 21.16 2ee0 s ALA 55 CO 0.00 0.37 1.11 1.04 0.00 0.00 0.00 175.76 178.28 2ee0 n GLN 56 N -0.86 -7.45 -3.75 0.00 6.02 -1.26 -4.98 117.38 105.10 2ee0 n GLN 56 Ca -0.05 0.80 -0.37 0.00 -0.01 0.00 0.00 57.00 57.37 2ee0 n GLN 56 Cb 0.54 -5.77 -0.12 0.00 1.02 0.00 0.00 30.24 25.91 2ee0 n GLN 56 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 2ee0 s VAL 57 N -3.32 4.19 0.46 5.09 1.01 -1.26 -5.08 120.40 121.50 2ee0 s VAL 57 Ca 0.45 -0.41 -0.21 0.00 0.00 0.00 0.00 61.98 61.80 2ee0 s VAL 57 Cb -0.20 -3.06 -0.11 0.00 0.00 0.00 0.00 36.38 33.01 2ee0 s VAL 57 CO 0.70 0.21 0.61 0.00 0.00 0.00 0.00 175.10 176.62 2ee0 n ALA 58 N 4.91 -1.15 -0.02 5.51 0.00 -1.26 -4.89 120.51 123.61 2ee0 n ALA 58 Ca -0.15 0.12 -0.08 0.00 0.00 0.00 0.00 53.44 53.33 2ee0 n ALA 58 Cb 0.50 -1.83 0.08 0.00 0.00 0.00 0.00 19.45 18.20 2ee0 n ALA 58 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2ee0 h PRO 59 N 0.76 0.61 -0.28 0.00 0.13 -1.99 -3.11 132.00 128.11 2ee0 h PRO 59 Ca -0.42 -0.32 0.02 0.00 -0.87 0.00 0.00 66.00 64.40 2ee0 h PRO 59 Cb 1.39 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.51 2ee0 h PRO 59 CO 0.51 0.92 0.15 0.00 -0.23 0.00 0.00 178.00 179.35 2ee0 h ALA 60 N 1.04 0.35 -0.85 -0.56 0.00 -1.99 -0.89 119.26 116.35 2ee0 h ALA 60 Ca 0.04 0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.98 2ee0 h ALA 60 Cb 0.94 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.62 2ee0 h ALA 60 CO 0.08 -0.23 0.55 1.15 0.00 0.00 0.00 179.25 180.80 2ee0 h THR 61 N 0.31 1.16 0.00 0.00 2.02 -1.93 -0.98 112.91 113.49 2ee0 h THR 61 Ca 0.11 -0.37 -0.06 0.00 0.77 0.00 0.00 66.41 66.86 2ee0 h THR 61 Cb 0.02 -0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 66.39 2ee0 h THR 61 CO -0.07 0.20 -0.30 0.11 0.37 0.00 0.00 175.52 175.84 2ee0 h LYS 62 N 1.09 0.00 0.07 6.66 1.57 -1.39 -1.93 116.57 122.64 2ee0 h LYS 62 Ca 0.33 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.11 2ee0 h LYS 62 Cb -0.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.28 2ee0 h LYS 62 CO -0.10 0.30 -0.04 0.00 -0.57 0.00 0.00 179.45 179.04 2ee0 h ARG 63 N 0.00 -0.09 0.11 3.15 3.08 0.01 -3.35 114.38 117.29 2ee0 h ARG 63 Ca -0.00 0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 2ee0 h ARG 63 Cb 0.64 0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.71 2ee0 h ARG 63 CO 0.04 0.47 -0.07 -0.07 -1.07 0.00 0.00 179.97 179.27 2ee0 h LEU 64 N -0.80 -0.18 -9.22 3.04 -0.00 -1.20 -3.40 115.31 103.55 2ee0 h LEU 64 Ca -0.01 0.01 -0.64 0.00 -0.00 0.00 0.00 57.88 57.24 2ee0 h LEU 64 Cb 0.61 0.06 -0.15 0.00 -0.00 0.00 0.00 40.66 41.18 2ee0 h LEU 64 CO 0.02 -0.12 -0.57 -0.36 -0.00 0.00 0.00 178.44 177.41 2ee0 s PHE 65 N -6.16 3.26 -0.15 1.13 0.40 -0.73 0.50 117.98 116.22 2ee0 s PHE 65 Ca -0.14 0.15 -0.04 0.00 -0.60 0.00 0.00 56.93 56.30 2ee0 s PHE 65 Cb 0.06 -1.96 -0.03 0.00 0.51 0.00 0.00 43.02 41.60 2ee0 s PHE 65 CO 0.65 0.33 -0.01 0.00 0.70 0.00 0.00 175.22 176.89 2ee0 s ALA 66 N -0.22 3.12 -0.24 5.36 0.00 -0.72 -4.39 121.76 124.67 2ee0 s ALA 66 Ca 0.07 -0.80 -0.16 0.00 0.00 0.00 0.00 51.96 51.07 2ee0 s ALA 66 Cb -0.12 -1.63 -0.03 0.00 0.00 0.00 0.00 23.12 21.34 2ee0 s ALA 66 CO 0.02 0.25 0.44 -1.17 0.00 0.00 0.00 175.76 175.29 2ee0 s LEU 67 N 0.23 4.09 -0.45 0.00 2.96 -1.26 -2.37 118.68 121.88 2ee0 s LEU 67 Ca -0.01 0.46 -0.27 0.00 -0.22 0.00 0.00 54.13 54.09 2ee0 s LEU 67 Cb -0.13 -2.55 0.03 0.00 0.50 0.00 0.00 46.19 44.03 2ee0 s LEU 67 CO 0.02 -0.18 1.01 0.20 -1.32 0.00 0.00 176.35 176.08 2ee0 s ASN 68 N 1.39 6.60 -0.04 3.68 -0.87 -0.23 -4.89 114.94 120.58 2ee0 s ASN 68 Ca 0.19 0.36 0.03 0.00 -1.57 0.00 0.00 52.86 51.87 2ee0 s ASN 68 Cb -0.15 -2.49 0.15 0.00 -0.02 0.00 0.00 41.25 38.73 2ee0 s ASN 68 CO 0.09 -1.09 0.77 0.59 -2.57 0.00 0.00 177.10 174.89 2ee0 n ASN 69 N 7.34 1.75 -0.01 -1.22 4.13 -1.26 -0.34 115.26 125.65 2ee0 n ASN 69 Ca 0.09 -2.15 -0.01 0.00 1.68 0.00 0.00 54.58 54.19 2ee0 n ASN 69 Cb 0.49 -0.49 -0.02 0.00 -1.54 0.00 0.00 39.78 38.22 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 0.09 0.14 0.00 3.41 -2.24 -1.26 -4.37 114.28 110.05 2ee0 n THR 70 Ca 0.05 -0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 2ee0 n THR 70 Cb 0.39 -0.78 0.00 0.00 -2.10 0.00 0.00 70.33 67.84 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 -2.03 0.00 -0.82 4.28 -2.24 -1.21 -5.04 114.28 107.22 2ee0 n THR 71 Ca -0.03 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 2ee0 n THR 71 Cb 0.52 -0.28 0.00 0.00 -2.10 0.00 0.00 70.33 68.47 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 1.99 0.93 3.63 3.38 0.00 0.54 -4.82 105.19 110.83 2ee0 n GLY 72 Ca 0.00 -0.52 -0.30 0.00 0.00 0.00 0.00 46.02 45.20 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 0.00 3.24 -0.19 0.99 0.20 -1.25 -2.90 118.68 118.78 2ee0 s LEU 73 Ca 0.00 -0.26 -0.03 0.00 0.69 0.00 0.00 54.13 54.53 2ee0 s LEU 73 Cb 0.00 -1.98 -0.01 0.00 -0.43 0.00 0.00 46.19 43.77 2ee0 s LEU 73 CO 0.00 0.19 -0.06 -0.63 -0.29 0.00 0.00 176.35 175.56 2ee0 s ILE 74 N -1.22 3.39 0.44 6.68 1.01 -0.98 -1.07 121.20 129.45 2ee0 s ILE 74 Ca 0.22 -0.51 0.05 0.00 0.00 0.00 0.00 60.65 60.42 2ee0 s ILE 74 Cb -0.11 -2.51 -0.06 0.00 0.01 0.00 0.00 42.46 39.79 2ee0 s ILE 74 CO 0.15 0.46 0.03 0.42 0.00 0.00 0.00 174.94 175.99 2ee0 s THR 75 N 1.04 1.79 -0.41 2.92 -4.23 -1.00 -1.91 115.64 113.85 2ee0 s THR 75 Ca 0.00 -1.96 -0.29 0.00 -1.18 0.00 0.00 61.69 58.26 2ee0 s THR 75 Cb -0.15 -2.76 0.02 0.00 1.34 0.00 0.00 72.50 70.96 2ee0 s THR 75 CO -0.00 0.00 1.09 -0.69 -0.54 0.00 0.00 174.62 174.48 2ee0 s VAL 76 N -2.75 4.37 0.05 2.29 1.01 -0.99 -1.76 120.40 122.62 2ee0 s VAL 76 Ca 0.28 1.41 -0.15 0.00 0.00 0.00 0.00 61.98 63.51 2ee0 s VAL 76 Cb 0.07 -4.50 -0.30 0.00 0.00 0.00 0.00 36.38 31.65 2ee0 s VAL 76 CO 0.14 -0.75 1.09 -0.61 0.00 0.00 0.00 175.10 174.97 2ee0 h GLN 77 N 8.71 0.62 -3.75 2.72 4.15 -0.20 -2.14 115.11 125.22 2ee0 h GLN 77 Ca -0.22 -0.84 -0.12 0.00 0.77 0.00 0.00 58.65 58.23 2ee0 h GLN 77 Cb 1.06 0.28 -0.08 0.00 0.21 0.00 0.00 27.48 28.95 2ee0 h GLN 77 CO 1.07 1.39 -0.11 1.03 -1.93 0.00 0.00 178.83 180.28 2ee0 s ARG 78 N -2.94 1.72 0.27 1.69 0.52 -1.11 -4.88 118.95 114.22 2ee0 s ARG 78 Ca -0.10 -1.44 -0.31 0.00 -0.52 0.00 0.00 55.73 53.37 2ee0 s ARG 78 Cb 0.05 0.47 -0.12 0.00 0.52 0.00 0.00 34.95 35.88 2ee0 s ARG 78 CO 0.93 -0.73 1.58 0.45 0.02 0.00 0.00 175.30 177.56 2ee0 n SER 79 N -0.80 3.67 -4.90 0.23 2.88 -1.26 -4.90 113.62 108.54 2ee0 n SER 79 Ca -0.01 1.13 -0.29 0.00 -1.33 0.00 0.00 58.87 58.37 2ee0 n SER 79 Cb 0.62 -1.56 -0.03 0.00 -0.75 0.00 0.00 64.21 62.49 2ee0 n SER 79 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 2ee0 s LEU 80 N -0.14 3.93 -0.21 2.46 1.43 -1.23 -4.99 118.68 119.92 2ee0 s LEU 80 Ca 0.66 0.85 0.01 0.00 -1.03 0.00 0.00 54.13 54.63 2ee0 s LEU 80 Cb -0.53 -3.70 0.04 0.00 0.03 0.00 0.00 46.19 42.03 2ee0 s LEU 80 CO 0.46 -0.31 -0.13 -1.81 0.23 0.00 0.00 176.35 174.79 2ee0 s ASP 81 N -3.35 3.61 -0.04 2.29 1.11 -1.26 -4.71 116.67 114.31 2ee0 s ASP 81 Ca 0.46 -0.96 -0.26 0.00 0.18 0.00 0.00 52.55 51.97 2ee0 s ASP 81 Cb -0.10 -1.38 -0.21 0.00 1.07 0.00 0.00 42.92 42.30 2ee0 s ASP 81 CO 0.33 -0.12 1.14 -0.09 1.18 0.00 0.00 175.17 177.61 2ee0 h ARG 82 N 7.91 0.07 -1.26 8.23 1.12 -1.91 -2.61 114.38 125.93 2ee0 h ARG 82 Ca -0.30 -0.05 0.38 0.00 -1.11 0.00 0.00 59.98 58.90 2ee0 h ARG 82 Cb 1.09 0.01 -0.10 0.00 -0.01 0.00 0.00 29.97 30.96 2ee0 h ARG 82 CO 0.51 0.68 0.84 1.05 -3.11 0.00 0.00 179.97 179.94 2ee0 h GLU 83 N -0.53 0.16 0.02 0.20 4.11 -2.02 -2.15 114.58 114.37 2ee0 h GLU 83 Ca -0.00 -0.01 -0.00 0.00 0.07 0.00 0.00 59.36 59.42 2ee0 h GLU 83 Cb 0.69 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.90 2ee0 h GLU 83 CO 0.01 0.11 -0.01 0.93 0.07 0.00 0.00 179.01 180.12 2ee0 h GLU 84 N 0.16 -0.03 -4.51 1.06 5.08 -1.99 -3.47 114.58 110.89 2ee0 h GLU 84 Ca 0.72 0.00 -0.45 0.00 -1.00 0.00 0.00 59.36 58.64 2ee0 h GLU 84 Cb 2.29 0.01 -0.32 0.00 0.50 0.00 0.00 28.75 31.22 2ee0 h GLU 84 CO -0.30 -0.02 -0.79 -0.08 -1.00 0.00 0.00 179.01 176.83 2ee0 s THR 85 N -1.45 0.84 -0.16 1.13 -1.32 -0.81 -5.02 115.64 108.85 2ee0 s THR 85 Ca -0.00 -0.36 0.17 0.00 -1.21 0.00 0.00 61.69 60.29 2ee0 s THR 85 Cb 0.00 -0.77 -0.25 0.00 -1.51 0.00 0.00 72.50 69.97 2ee0 s THR 85 CO 0.01 0.27 0.24 0.00 -2.21 0.00 0.00 174.62 172.93 2ee0 n ALA 86 N 3.54 1.55 -3.12 11.08 0.00 -1.25 -4.11 120.51 128.21 2ee0 n ALA 86 Ca -0.21 -1.16 -0.28 0.00 0.00 0.00 0.00 53.44 51.79 2ee0 n ALA 86 Cb 0.53 -0.37 -0.16 0.00 0.00 0.00 0.00 19.45 19.44 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 -2.56 1.61 0.03 0.00 1.01 -1.26 -1.17 121.20 118.85 2ee0 s ILE 87 Ca -0.09 -0.78 0.05 0.00 0.00 0.00 0.00 60.65 59.83 2ee0 s ILE 87 Cb 0.07 -1.40 -0.03 0.00 0.01 0.00 0.00 42.46 41.11 2ee0 s ILE 87 CO 0.83 0.46 -0.10 -1.00 0.00 0.00 0.00 174.94 175.13 2ee0 s HIS 88 N 0.26 2.79 -0.24 3.97 3.76 -0.92 -4.99 115.29 119.92 2ee0 s HIS 88 Ca -0.11 -0.11 0.00 0.00 -0.15 0.00 0.00 55.06 54.70 2ee0 s HIS 88 Cb -0.15 -1.55 0.07 0.00 1.11 0.00 0.00 32.58 32.06 2ee0 s HIS 88 CO 0.05 0.35 -0.03 0.15 -0.85 0.00 0.00 174.74 174.41 2ee0 s LYS 89 N -1.53 1.45 -0.03 1.40 -0.14 -1.26 -2.55 119.74 117.08 2ee0 s LYS 89 Ca 0.17 -0.99 0.07 0.00 -1.36 0.00 0.00 55.97 53.86 2ee0 s LYS 89 Cb -0.11 -2.53 -0.02 0.00 -1.68 0.00 0.00 37.83 33.49 2ee0 s LYS 89 CO 0.08 -0.65 -0.23 0.08 -0.76 0.00 0.00 175.35 173.87 2ee0 s VAL 90 N 1.43 1.86 -0.20 3.17 1.01 -1.25 -4.93 120.40 121.48 2ee0 s VAL 90 Ca -0.03 -0.99 0.01 0.00 0.00 0.00 0.00 61.98 60.97 2ee0 s VAL 90 Cb -0.19 -1.55 0.02 0.00 0.00 0.00 0.00 36.38 34.67 2ee0 s VAL 90 CO -0.08 0.52 -0.17 -0.89 0.00 0.00 0.00 175.10 174.48 2ee0 s THR 91 N -0.41 2.18 -0.44 3.92 2.01 -1.26 -2.48 115.64 119.15 2ee0 s THR 91 Ca 0.05 -1.03 -0.16 0.00 0.31 0.00 0.00 61.69 60.87 2ee0 s THR 91 Cb -0.10 -1.98 0.04 0.00 0.01 0.00 0.00 72.50 70.47 2ee0 s THR 91 CO 0.00 0.43 0.37 -0.69 -0.69 0.00 0.00 174.62 174.04 2ee0 s VAL 92 N 1.27 5.22 0.21 3.82 1.01 -1.03 -1.74 120.40 129.16 2ee0 s VAL 92 Ca 0.03 -0.79 -0.23 0.00 0.00 0.00 0.00 61.98 60.99 2ee0 s VAL 92 Cb -0.14 -4.04 -0.08 0.00 0.00 0.00 0.00 36.38 32.12 2ee0 s VAL 92 CO -0.11 -0.46 0.77 -0.76 0.00 0.00 0.00 175.10 174.54 2ee0 s LEU 93 N 1.75 4.44 -0.25 3.92 2.01 -1.07 -3.86 118.68 125.62 2ee0 s LEU 93 Ca 0.06 1.56 0.01 0.00 0.01 0.00 0.00 54.13 55.76 2ee0 s LEU 93 Cb -0.21 -3.52 0.04 0.00 0.01 0.00 0.00 46.19 42.52 2ee0 s LEU 93 CO 0.09 0.09 -0.10 0.00 1.01 0.00 0.00 176.35 177.44 2ee0 s ALA 94 N -1.39 2.58 -0.02 4.21 0.00 -1.16 -3.32 121.76 122.66 2ee0 s ALA 94 Ca 0.41 -1.61 0.04 0.00 0.00 0.00 0.00 51.96 50.80 2ee0 s ALA 94 Cb -0.19 -1.57 -0.00 0.00 0.00 0.00 0.00 23.12 21.35 2ee0 s ALA 94 CO 0.23 -0.98 -0.13 0.45 0.00 0.00 0.00 175.76 175.34 2ee0 s SER 95 N 1.20 1.59 0.00 0.00 0.15 -1.21 -2.64 113.70 112.80 2ee0 s SER 95 Ca -0.04 -0.25 0.00 0.00 0.70 0.00 0.00 55.95 56.36 2ee0 s SER 95 Cb -0.18 -0.34 0.00 0.00 -1.71 0.00 0.00 66.02 63.79 2ee0 s SER 95 CO -0.06 0.13 0.24 -0.90 1.20 0.00 0.00 173.24 173.85 2ee0 n ASP 96 N 3.05 0.39 0.00 5.45 5.68 -1.26 -2.72 116.55 127.14 2ee0 n ASP 96 Ca -0.17 -1.05 0.00 0.00 -0.50 0.00 0.00 54.79 53.08 2ee0 n ASP 96 Cb 0.54 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.52 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 -0.02 0.57 1.81 6.12 0.00 -1.26 -4.92 105.19 107.50 2ee0 n GLY 97 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.85 -3.26 1.61 7.64 -1.26 -5.17 113.62 112.33 2ee0 n SER 98 Ca 0.00 -1.94 -0.11 0.00 1.01 0.00 0.00 58.87 57.83 2ee0 n SER 98 Cb 0.00 1.52 0.11 0.00 -1.01 0.00 0.00 64.21 64.83 2ee0 n SER 98 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2ee0 n SER 99 N -1.69 -2.47 -3.12 6.43 2.88 -1.26 -4.72 113.62 109.67 2ee0 n SER 99 Ca -0.01 -0.32 -0.36 0.00 -1.33 0.00 0.00 58.87 56.85 2ee0 n SER 99 Cb 0.31 -0.48 -0.03 0.00 -0.75 0.00 0.00 64.21 63.25 2ee0 n SER 99 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 2ee0 n THR 100 N -3.86 0.92 -1.22 2.46 -1.04 -1.26 -4.88 114.28 105.39 2ee0 n THR 100 Ca 0.05 -0.23 -0.30 0.00 -2.04 0.00 0.00 64.05 61.53 2ee0 n THR 100 Cb 0.22 0.00 0.12 0.00 -1.82 0.00 0.00 70.33 68.85 2ee0 n THR 100 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 2ee0 s PRO 101 N -0.46 1.54 0.26 -2.82 0.04 -1.26 -4.98 135.00 127.32 2ee0 s PRO 101 Ca 0.52 0.92 -0.30 0.00 0.04 0.00 0.00 61.00 62.18 2ee0 s PRO 101 Cb -0.74 -1.83 -0.10 0.00 0.04 0.00 0.00 34.50 31.87 2ee0 s PRO 101 CO 0.40 -2.07 1.31 0.00 0.04 0.00 0.00 177.00 176.67 2ee0 s ALA 102 N -2.93 3.52 -0.23 8.56 0.00 -1.08 -4.71 121.76 124.89 2ee0 s ALA 102 Ca 0.63 1.17 -0.13 0.00 0.00 0.00 0.00 51.96 53.64 2ee0 s ALA 102 Cb -0.18 -3.48 -0.05 0.00 0.00 0.00 0.00 23.12 19.42 2ee0 s ALA 102 CO 0.57 -0.57 0.26 1.03 0.00 0.00 0.00 175.76 177.05 2ee0 s ARG 103 N -0.86 4.10 -0.12 0.00 0.52 -1.26 -2.97 118.95 118.36 2ee0 s ARG 103 Ca 0.53 -0.09 -0.02 0.00 -0.52 0.00 0.00 55.73 55.64 2ee0 s ARG 103 Cb -0.38 -3.55 0.04 0.00 0.52 0.00 0.00 34.95 31.58 2ee0 s ARG 103 CO 0.44 -0.00 0.01 0.00 0.02 0.00 0.00 175.30 175.78 2ee0 s ALA 104 N 1.23 0.81 -0.07 2.13 0.00 -1.25 -4.97 121.76 119.65 2ee0 s ALA 104 Ca 0.12 -0.35 -0.13 0.00 0.00 0.00 0.00 51.96 51.61 2ee0 s ALA 104 Cb -0.14 -0.91 -0.05 0.00 0.00 0.00 0.00 23.12 22.01 2ee0 s ALA 104 CO 0.06 -0.74 0.32 0.99 0.00 0.00 0.00 175.76 176.39 2ee0 s THR 105 N 1.93 5.21 -0.29 0.00 2.01 -0.97 -2.45 115.64 121.08 2ee0 s THR 105 Ca 0.03 0.62 -0.00 0.00 0.31 0.00 0.00 61.69 62.65 2ee0 s THR 105 Cb -0.14 -3.62 0.09 0.00 0.01 0.00 0.00 72.50 68.84 2ee0 s THR 105 CO -0.06 0.54 0.06 -0.69 -0.69 0.00 0.00 174.62 173.78 2ee0 s VAL 106 N -0.71 1.07 0.05 3.82 1.01 -1.03 -3.57 120.40 121.03 2ee0 s VAL 106 Ca 0.20 -1.36 -0.31 0.00 0.00 0.00 0.00 61.98 60.52 2ee0 s VAL 106 Cb -0.15 -1.71 -0.06 0.00 0.00 0.00 0.00 36.38 34.47 2ee0 s VAL 106 CO 0.09 -0.52 1.30 -0.89 0.00 0.00 0.00 175.10 175.08 2ee0 s THR 107 N 1.54 3.79 -0.33 3.92 2.01 -1.01 -3.95 115.64 121.61 2ee0 s THR 107 Ca 0.06 1.25 0.04 0.00 0.31 0.00 0.00 61.69 63.35 2ee0 s THR 107 Cb -0.18 -3.80 0.09 0.00 0.01 0.00 0.00 72.50 68.63 2ee0 s THR 107 CO -0.18 0.06 0.03 -0.63 -0.69 0.00 0.00 174.62 173.21 2ee0 s ILE 108 N 1.52 2.29 0.02 1.82 1.01 -1.06 -2.10 121.20 124.70 2ee0 s ILE 108 Ca 0.61 -2.23 -0.25 0.00 0.00 0.00 0.00 60.65 58.78 2ee0 s ILE 108 Cb -0.31 -2.64 -0.05 0.00 0.01 0.00 0.00 42.46 39.47 2ee0 s ILE 108 CO 0.28 -0.51 0.77 0.20 0.00 0.00 0.00 174.94 175.67 2ee0 s ASN 109 N 0.95 7.18 -0.24 3.58 0.01 -0.64 -2.16 114.94 123.62 2ee0 s ASN 109 Ca 0.08 1.41 -0.17 0.00 -0.71 0.00 0.00 52.86 53.48 2ee0 s ASN 109 Cb -0.19 -2.46 -0.03 0.00 0.41 0.00 0.00 41.25 38.97 2ee0 s ASN 109 CO -0.07 -0.03 0.45 -0.69 -1.51 0.00 0.00 177.10 175.25 2ee0 s VAL 110 N 0.17 5.13 0.05 1.60 1.01 -0.32 -1.94 120.40 126.10 2ee0 s VAL 110 Ca 0.39 0.77 0.03 0.00 0.00 0.00 0.00 61.98 63.17 2ee0 s VAL 110 Cb -0.20 -3.77 -0.04 0.00 0.00 0.00 0.00 36.38 32.37 2ee0 s VAL 110 CO 0.22 0.15 0.03 0.42 0.00 0.00 0.00 175.10 175.92 2ee0 s THR 111 N 1.98 4.28 0.83 3.92 -4.23 -0.57 -4.95 115.64 116.89 2ee0 s THR 111 Ca 0.19 -0.74 -0.10 0.00 -1.18 0.00 0.00 61.69 59.86 2ee0 s THR 111 Cb -0.15 -2.99 0.09 0.00 1.34 0.00 0.00 72.50 70.78 2ee0 s THR 111 CO 0.09 0.23 1.11 -1.81 -0.54 0.00 0.00 174.62 173.70 2ee0 s ASP 112 N -2.03 3.90 -0.00 3.99 1.01 -1.26 -2.42 116.67 119.86 2ee0 s ASP 112 Ca 0.24 1.93 0.01 0.00 0.71 0.00 0.00 52.55 55.45 2ee0 s ASP 112 Cb -0.12 -2.52 -0.02 0.00 1.01 0.00 0.00 42.92 41.27 2ee0 s ASP 112 CO 0.16 -2.44 0.02 1.33 0.21 0.00 0.00 175.17 174.46 2ee0 n VAL 113 N -3.79 0.02 0.47 -1.27 0.24 -1.26 -4.81 118.33 107.92 2ee0 n VAL 113 Ca 0.10 -0.04 0.06 0.00 -2.04 0.00 0.00 64.34 62.42 2ee0 n VAL 113 Cb 0.53 0.12 0.05 0.00 -1.47 0.00 0.00 33.84 33.06 2ee0 n VAL 113 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49