#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ee0 n SER 2 N 0.00 3.31 -4.60 1.61 3.41 -1.26 -5.02 113.62 111.07 2ee0 n SER 2 Ca 0.00 -0.05 -0.49 0.00 -0.26 0.00 0.00 58.87 58.07 2ee0 n SER 2 Cb 0.00 -0.14 -0.05 0.00 -0.26 0.00 0.00 64.21 63.77 2ee0 n SER 2 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2ee0 n SER 3 N -2.76 1.72 -2.68 4.04 7.64 -1.26 -4.91 113.62 115.41 2ee0 n SER 3 Ca -0.16 1.13 -0.08 0.00 1.01 0.00 0.00 58.87 60.78 2ee0 n SER 3 Cb 0.67 -1.24 0.05 0.00 -1.01 0.00 0.00 64.21 62.68 2ee0 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ee0 n GLY 4 N 2.32 1.51 3.95 0.23 0.00 -1.26 -5.12 105.19 106.82 2ee0 n GLY 4 Ca 0.16 -1.00 -0.25 0.00 0.00 0.00 0.00 46.02 44.94 2ee0 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ee0 s SER 5 N -2.73 6.34 0.46 1.61 0.01 -1.26 -5.11 113.70 113.02 2ee0 s SER 5 Ca 0.25 0.25 -0.04 0.00 1.31 0.00 0.00 55.95 57.72 2ee0 s SER 5 Cb 0.43 -1.94 -0.03 0.00 0.21 0.00 0.00 66.02 64.70 2ee0 s SER 5 CO 0.00 -0.06 0.74 -0.44 0.41 0.00 0.00 173.24 173.89 2ee0 s SER 6 N -3.56 6.16 -1.30 2.44 0.01 -1.26 -4.99 113.70 111.20 2ee0 s SER 6 Ca 0.36 0.76 -0.15 0.00 1.31 0.00 0.00 55.95 58.23 2ee0 s SER 6 Cb -0.10 -2.09 0.11 0.00 0.21 0.00 0.00 66.02 64.15 2ee0 s SER 6 CO 0.30 -0.59 1.75 0.61 0.41 0.00 0.00 173.24 175.73 2ee0 n GLY 7 N -2.19 3.41 2.44 3.44 0.00 -1.26 -4.65 105.19 106.38 2ee0 n GLY 7 Ca -0.00 -1.73 -0.14 0.00 0.00 0.00 0.00 46.02 44.15 2ee0 n GLY 7 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2ee0 n ASN 8 N 6.63 3.35 -4.57 1.61 0.23 -1.26 -5.10 115.26 116.15 2ee0 n ASN 8 Ca 0.45 -3.03 -0.39 0.00 -0.53 0.00 0.00 54.58 51.07 2ee0 n ASN 8 Cb 0.43 -0.43 0.03 0.00 -2.08 0.00 0.00 39.78 37.73 2ee0 n ASN 8 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 2ee0 n ASP 9 N -0.57 0.43 -3.64 0.53 8.00 -1.26 -5.01 116.55 115.03 2ee0 n ASP 9 Ca 0.27 0.87 -0.03 0.00 0.71 0.00 0.00 54.79 56.60 2ee0 n ASP 9 Cb 0.85 -1.32 -0.07 0.00 -0.02 0.00 0.00 41.12 40.57 2ee0 n ASP 9 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 2ee0 s ASN 10 N -1.06 -0.44 0.13 -2.24 3.84 -1.26 -5.16 114.94 108.75 2ee0 s ASN 10 Ca 0.70 0.74 -0.16 0.00 0.21 0.00 0.00 52.86 54.35 2ee0 s ASN 10 Cb -0.47 1.08 -0.07 0.00 -0.55 0.00 0.00 41.25 41.24 2ee0 s ASN 10 CO 0.52 -0.12 0.55 0.00 -2.79 0.00 0.00 177.10 175.27 2ee0 s ARG 11 N 1.06 4.03 0.35 0.43 1.70 -1.26 -4.95 118.95 120.31 2ee0 s ARG 11 Ca -0.06 0.55 -0.28 0.00 -0.47 0.00 0.00 55.73 55.48 2ee0 s ARG 11 Cb -0.04 -3.01 -0.09 0.00 -0.57 0.00 0.00 34.95 31.24 2ee0 s ARG 11 CO -0.13 0.52 1.21 -1.25 -1.08 0.00 0.00 175.30 174.57 2ee0 s PRO 12 N -1.74 4.30 0.10 3.89 0.04 -1.26 -4.94 135.00 135.39 2ee0 s PRO 12 Ca 0.36 2.00 0.08 0.00 0.04 0.00 0.00 61.00 63.47 2ee0 s PRO 12 Cb -0.16 -2.95 -0.04 0.00 0.04 0.00 0.00 34.50 31.39 2ee0 s PRO 12 CO 0.19 -0.16 -0.16 0.14 0.04 0.00 0.00 177.00 177.05 2ee0 s VAL 13 N -1.24 2.95 -0.11 -0.36 -7.23 -1.26 -4.76 120.40 108.39 2ee0 s VAL 13 Ca 0.51 -1.41 -0.11 0.00 -1.81 0.00 0.00 61.98 59.17 2ee0 s VAL 13 Cb -0.35 -2.34 -0.05 0.00 0.56 0.00 0.00 36.38 34.20 2ee0 s VAL 13 CO 0.45 0.14 0.24 -0.36 -0.31 0.00 0.00 175.10 175.26 2ee0 s PHE 14 N -1.13 3.59 0.23 2.82 0.08 -1.26 -3.91 117.98 118.40 2ee0 s PHE 14 Ca 0.18 0.64 -0.07 0.00 0.12 0.00 0.00 56.93 57.80 2ee0 s PHE 14 Cb -0.11 -2.13 0.27 0.00 -0.57 0.00 0.00 43.02 40.48 2ee0 s PHE 14 CO 0.10 0.57 1.88 1.57 -0.10 0.00 0.00 175.22 179.24 2ee0 h LYS 15 N 5.42 1.04 -3.37 0.44 2.10 -1.95 -3.43 116.57 116.82 2ee0 h LYS 15 Ca -0.50 -0.06 -0.22 0.00 -2.00 0.00 0.00 60.65 57.87 2ee0 h LYS 15 Cb 1.21 -0.23 -0.29 0.00 -0.90 0.00 0.00 32.23 32.01 2ee0 h LYS 15 CO 0.64 0.69 -0.59 -1.21 -2.00 0.00 0.00 179.45 176.98 2ee0 s GLU 16 N -6.10 0.12 0.00 0.07 2.02 -1.26 -5.12 118.70 108.43 2ee0 s GLU 16 Ca -0.13 0.25 0.00 0.00 0.02 0.00 0.00 54.97 55.11 2ee0 s GLU 16 Cb 0.17 -0.04 0.00 0.00 0.10 0.00 0.00 34.13 34.37 2ee0 s GLU 16 CO 0.79 -0.08 0.00 0.41 0.02 0.00 0.00 175.26 176.41 2ee0 n GLY 17 N 3.51 1.50 3.64 -1.39 0.00 -1.26 -4.87 105.19 106.31 2ee0 n GLY 17 Ca -0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.41 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 0.20 3.98 -0.04 1.61 -0.21 -1.24 -4.21 119.66 119.74 2ee0 s GLN 18 Ca 0.00 1.28 -0.01 0.00 0.02 0.00 0.00 55.36 56.65 2ee0 s GLN 18 Cb 0.00 -3.84 0.03 0.00 1.00 0.00 0.00 33.01 30.19 2ee0 s GLN 18 CO 0.00 -1.04 0.02 0.08 -2.12 0.00 0.00 175.29 172.24 2ee0 s VAL 19 N 4.16 0.10 0.13 1.09 1.01 -1.24 -5.02 120.40 120.63 2ee0 s VAL 19 Ca 0.55 0.22 -0.18 0.00 0.00 0.00 0.00 61.98 62.57 2ee0 s VAL 19 Cb -0.17 -0.26 -0.07 0.00 0.00 0.00 0.00 36.38 35.88 2ee0 s VAL 19 CO 0.21 0.17 0.60 -1.61 0.00 0.00 0.00 175.10 174.47 2ee0 s GLU 20 N 1.57 4.14 0.12 2.72 8.01 -1.26 -2.75 118.70 131.26 2ee0 s GLU 20 Ca -0.02 0.69 0.04 0.00 0.01 0.00 0.00 54.97 55.68 2ee0 s GLU 20 Cb -0.13 -3.05 -0.04 0.00 -4.31 0.00 0.00 34.13 26.60 2ee0 s GLU 20 CO -0.03 0.53 -0.09 0.14 0.01 0.00 0.00 175.26 175.81 2ee0 s VAL 21 N -1.33 0.99 -0.19 2.63 -7.23 -0.88 -5.00 120.40 109.38 2ee0 s VAL 21 Ca 0.35 -1.90 0.01 0.00 -1.81 0.00 0.00 61.98 58.64 2ee0 s VAL 21 Cb -0.17 -1.65 0.03 0.00 0.56 0.00 0.00 36.38 35.14 2ee0 s VAL 21 CO 0.20 -0.71 -0.16 -1.38 -0.31 0.00 0.00 175.10 172.73 2ee0 s HIS 22 N -3.11 2.71 -0.01 2.82 -3.43 -1.26 -0.26 115.29 112.75 2ee0 s HIS 22 Ca 0.12 -1.69 0.00 0.00 -0.80 0.00 0.00 55.06 52.69 2ee0 s HIS 22 Cb 0.01 -1.82 0.01 0.00 -1.43 0.00 0.00 32.58 29.35 2ee0 s HIS 22 CO -0.01 -0.79 0.01 -1.50 -2.00 0.00 0.00 174.74 170.46 2ee0 s ILE 23 N 1.31 -0.02 0.38 -5.38 2.07 -0.78 -4.98 121.20 113.80 2ee0 s ILE 23 Ca 0.02 0.09 -0.26 0.00 -1.41 0.00 0.00 60.65 59.08 2ee0 s ILE 23 Cb -0.15 -0.04 -0.09 0.00 0.13 0.00 0.00 42.46 42.32 2ee0 s ILE 23 CO -0.10 0.04 1.20 -2.16 -1.91 0.00 0.00 174.94 172.00 2ee0 s PRO 24 N 0.45 4.13 0.50 3.50 0.04 -1.26 -1.52 135.00 140.84 2ee0 s PRO 24 Ca -0.04 1.93 0.15 0.00 0.04 0.00 0.00 61.00 63.07 2ee0 s PRO 24 Cb -0.05 -2.78 1.20 0.00 0.04 0.00 0.00 34.50 32.91 2ee0 s PRO 24 CO -0.01 -0.28 2.14 1.05 0.04 0.00 0.00 177.00 179.93 2ee0 h GLU 25 N 2.84 0.08 -0.64 4.56 4.11 -1.77 0.44 114.58 124.20 2ee0 h GLU 25 Ca -0.49 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 58.94 2ee0 h GLU 25 Cb 1.23 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.46 2ee0 h GLU 25 CO 0.63 0.06 0.00 0.09 0.07 0.00 0.00 179.01 179.86 2ee0 n ASN 26 N -4.53 3.10 -4.61 3.06 4.13 -1.26 -3.01 115.26 112.14 2ee0 n ASN 26 Ca -0.02 -2.33 -0.42 0.00 1.68 0.00 0.00 54.58 53.50 2ee0 n ASN 26 Cb 0.09 -0.48 0.01 0.00 -1.54 0.00 0.00 39.78 37.85 2ee0 n ASN 26 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2ee0 n ALA 27 N 0.48 0.17 -2.06 5.41 0.00 0.14 -4.90 120.51 119.75 2ee0 n ALA 27 Ca 0.15 0.26 -0.42 0.00 0.00 0.00 0.00 53.44 53.43 2ee0 n ALA 27 Cb 0.62 -2.08 -0.03 0.00 0.00 0.00 0.00 19.45 17.96 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 -1.94 4.38 -0.04 0.00 0.04 -1.26 -4.85 135.00 131.32 2ee0 s PRO 28 Ca 0.62 2.04 -0.29 0.00 0.04 0.00 0.00 61.00 63.41 2ee0 s PRO 28 Cb -0.58 -3.21 -0.08 0.00 0.04 0.00 0.00 34.50 30.67 2ee0 s PRO 28 CO 0.58 -0.29 2.01 0.08 0.04 0.00 0.00 177.00 179.42 2ee0 s VAL 29 N 0.37 3.06 0.00 -0.36 1.01 -1.26 -2.77 120.40 120.44 2ee0 s VAL 29 Ca 0.58 0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.63 2ee0 s VAL 29 Cb -0.36 -3.05 0.00 0.00 0.00 0.00 0.00 36.38 32.97 2ee0 s VAL 29 CO 0.36 -0.01 0.00 0.61 0.00 0.00 0.00 175.10 176.06 2ee0 n GLY 30 N 4.86 1.71 3.75 4.51 0.00 -0.42 -4.96 105.19 114.63 2ee0 n GLY 30 Ca 0.22 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.86 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 5.04 -0.30 2.61 2.01 -1.12 -4.82 115.64 117.06 2ee0 s THR 31 Ca 0.00 1.15 -0.29 0.00 0.31 0.00 0.00 61.69 62.86 2ee0 s THR 31 Cb 0.00 -3.89 -0.00 0.00 0.01 0.00 0.00 72.50 68.62 2ee0 s THR 31 CO 0.00 0.37 1.34 -0.94 -0.69 0.00 0.00 174.62 174.70 2ee0 s SER 32 N 0.20 6.61 -0.09 3.53 1.04 -1.26 -2.64 113.70 121.09 2ee0 s SER 32 Ca 0.30 1.20 -0.03 0.00 0.48 0.00 0.00 55.95 57.90 2ee0 s SER 32 Cb -0.17 -2.54 -0.01 0.00 0.10 0.00 0.00 66.02 63.40 2ee0 s SER 32 CO 0.15 -1.13 -0.07 0.58 0.98 0.00 0.00 173.24 173.75 2ee0 h VAL 33 N 6.02 0.00 -3.87 5.02 2.07 -1.61 -3.50 116.25 120.39 2ee0 h VAL 33 Ca -0.27 -0.74 -0.13 0.00 0.82 0.00 0.00 66.70 66.38 2ee0 h VAL 33 Cb 1.10 0.00 -0.18 0.00 -1.52 0.00 0.00 31.29 30.69 2ee0 h VAL 33 CO 1.04 0.00 -0.57 -0.51 0.02 0.00 0.00 177.57 177.54 2ee0 s ILE 34 N -1.66 0.14 -0.06 4.57 2.07 -1.24 -5.05 121.20 119.96 2ee0 s ILE 34 Ca -0.05 -1.12 0.02 0.00 -1.41 0.00 0.00 60.65 58.08 2ee0 s ILE 34 Cb 0.01 -0.83 0.02 0.00 0.13 0.00 0.00 42.46 41.79 2ee0 s ILE 34 CO 0.08 -0.62 -0.09 -1.58 -1.91 0.00 0.00 174.94 170.82 2ee0 s GLN 35 N -2.48 1.39 -0.09 3.50 2.00 -1.26 -2.87 119.66 119.84 2ee0 s GLN 35 Ca -0.06 -0.29 -0.02 0.00 -2.00 0.00 0.00 55.36 52.99 2ee0 s GLN 35 Cb -0.02 -1.23 -0.03 0.00 0.80 0.00 0.00 33.01 32.52 2ee0 s GLN 35 CO -0.04 -0.04 -0.01 -0.51 -0.50 0.00 0.00 175.29 174.19 2ee0 s LEU 36 N 0.85 3.52 -0.14 3.68 1.43 -1.20 -4.98 118.68 121.83 2ee0 s LEU 36 Ca -0.12 0.11 -0.00 0.00 -1.03 0.00 0.00 54.13 53.09 2ee0 s LEU 36 Cb -0.15 -1.80 0.03 0.00 0.03 0.00 0.00 46.19 44.30 2ee0 s LEU 36 CO 0.01 0.36 -0.10 -2.28 0.23 0.00 0.00 176.35 174.58 2ee0 s HIS 37 N -0.79 1.82 -0.40 0.29 2.46 -1.26 -4.85 115.29 112.56 2ee0 s HIS 37 Ca 0.12 -1.03 0.03 0.00 0.47 0.00 0.00 55.06 54.65 2ee0 s HIS 37 Cb -0.11 -1.40 0.11 0.00 -0.13 0.00 0.00 32.58 31.05 2ee0 s HIS 37 CO 0.02 -0.60 0.14 0.00 -2.47 0.00 0.00 174.74 171.83 2ee0 s ALA 38 N 1.60 2.73 -0.33 1.58 0.00 -1.25 -3.43 121.76 122.65 2ee0 s ALA 38 Ca 0.04 -2.64 -0.19 0.00 0.00 0.00 0.00 51.96 49.17 2ee0 s ALA 38 Cb -0.13 -1.96 -0.01 0.00 0.00 0.00 0.00 23.12 21.02 2ee0 s ALA 38 CO -0.09 -1.83 0.57 0.95 0.00 0.00 0.00 175.76 175.36 2ee0 s THR 39 N 0.59 4.97 -0.18 0.00 -4.23 -1.26 -4.81 115.64 110.71 2ee0 s THR 39 Ca 0.13 0.59 -0.15 0.00 -1.18 0.00 0.00 61.69 61.09 2ee0 s THR 39 Cb -0.21 -3.99 -0.09 0.00 1.34 0.00 0.00 72.50 69.55 2ee0 s THR 39 CO -0.07 -0.19 -0.08 -0.67 -0.54 0.00 0.00 174.62 173.07 2ee0 n ASP 40 N 5.83 1.85 -3.44 3.99 2.03 -1.26 -4.67 116.55 120.88 2ee0 n ASP 40 Ca -0.03 0.51 -0.08 0.00 0.52 0.00 0.00 54.79 55.71 2ee0 n ASP 40 Cb 0.49 -0.88 -0.08 0.00 -0.72 0.00 0.00 41.12 39.92 2ee0 n ASP 40 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2ee0 s ALA 41 N -2.61 -1.16 -0.20 -1.67 0.00 -1.26 -5.05 121.76 109.81 2ee0 s ALA 41 Ca -0.23 1.15 -0.16 0.00 0.00 0.00 0.00 51.96 52.71 2ee0 s ALA 41 Cb 0.05 -1.57 -0.12 0.00 0.00 0.00 0.00 23.12 21.47 2ee0 s ALA 41 CO 0.39 -1.09 -0.05 -0.25 0.00 0.00 0.00 175.76 174.76 2ee0 n ASP 42 N 5.38 1.87 -4.55 0.00 8.00 -1.26 -4.35 116.55 121.63 2ee0 n ASP 42 Ca -0.05 0.46 -0.37 0.00 0.71 0.00 0.00 54.79 55.54 2ee0 n ASP 42 Cb 0.50 -0.89 -0.03 0.00 -0.02 0.00 0.00 41.12 40.67 2ee0 n ASP 42 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 2ee0 s ILE 43 N -2.41 3.58 0.00 0.53 2.07 -1.26 -4.37 121.20 119.35 2ee0 s ILE 43 Ca -0.27 -0.03 0.00 0.00 -1.41 0.00 0.00 60.65 58.95 2ee0 s ILE 43 Cb 0.06 -4.45 0.00 0.00 0.13 0.00 0.00 42.46 38.20 2ee0 s ILE 43 CO 0.45 -1.39 0.00 0.61 -1.91 0.00 0.00 174.94 172.70 2ee0 n GLY 44 N 6.05 1.15 3.77 1.50 0.00 -1.26 -5.09 105.19 111.32 2ee0 n GLY 44 Ca 0.21 -0.44 -0.23 0.00 0.00 0.00 0.00 46.02 45.56 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 -4.00 4.67 -0.10 1.61 0.01 -1.26 -5.13 113.70 109.50 2ee0 s SER 45 Ca 0.00 -0.88 -0.03 0.00 1.31 0.00 0.00 55.95 56.35 2ee0 s SER 45 Cb 0.00 -0.60 0.05 0.00 0.21 0.00 0.00 66.02 65.67 2ee0 s SER 45 CO 0.00 -0.47 0.10 0.21 0.41 0.00 0.00 173.24 173.49 2ee0 s ASN 46 N -3.93 1.43 0.47 2.44 2.47 -1.26 -4.31 114.94 112.25 2ee0 s ASN 46 Ca 0.41 -0.09 0.00 0.00 0.42 0.00 0.00 52.86 53.60 2ee0 s ASN 46 Cb -0.00 -0.06 0.00 0.00 -1.45 0.00 0.00 41.25 39.75 2ee0 s ASN 46 CO 0.24 -0.28 0.70 0.00 -3.72 0.00 0.00 177.10 174.03 2ee0 s ALA 47 N 2.19 3.78 -0.76 1.71 0.00 -1.26 -5.05 121.76 122.37 2ee0 s ALA 47 Ca 0.04 -1.11 -0.12 0.00 0.00 0.00 0.00 51.96 50.77 2ee0 s ALA 47 Cb -0.13 -2.13 0.20 0.00 0.00 0.00 0.00 23.12 21.05 2ee0 s ALA 47 CO -0.06 -0.46 0.67 -1.83 0.00 0.00 0.00 175.76 174.09 2ee0 s GLU 48 N -4.60 3.32 -0.10 0.00 -1.05 -1.26 -5.04 118.70 109.96 2ee0 s GLU 48 Ca 0.50 -2.41 -0.30 0.00 -0.15 0.00 0.00 54.97 52.62 2ee0 s GLU 48 Cb -0.10 -4.27 -0.03 0.00 -0.44 0.00 0.00 34.13 29.29 2ee0 s GLU 48 CO 0.38 -1.27 1.43 0.42 0.95 0.00 0.00 175.26 177.17 2ee0 s ILE 49 N 0.24 3.96 -0.09 1.83 1.01 -1.26 -4.90 121.20 121.98 2ee0 s ILE 49 Ca 0.16 1.18 -0.10 0.00 0.00 0.00 0.00 60.65 61.90 2ee0 s ILE 49 Cb -0.14 -3.76 -0.05 0.00 0.01 0.00 0.00 42.46 38.52 2ee0 s ILE 49 CO -0.07 -0.09 0.23 -0.13 0.00 0.00 0.00 174.94 174.87 2ee0 s ARG 50 N 3.58 3.65 -0.38 2.79 1.81 -1.24 -4.79 118.95 124.38 2ee0 s ARG 50 Ca 0.63 0.04 -0.05 0.00 -1.72 0.00 0.00 55.73 54.62 2ee0 s ARG 50 Cb -0.27 -3.22 0.08 0.00 -0.45 0.00 0.00 34.95 31.08 2ee0 s ARG 50 CO 0.22 0.71 0.16 0.71 -0.68 0.00 0.00 175.30 176.41 2ee0 s TYR 51 N -0.90 3.40 0.54 -0.53 2.02 -1.26 -3.39 117.35 117.22 2ee0 s TYR 51 Ca 0.17 -1.90 0.08 0.00 -0.37 0.00 0.00 57.07 55.05 2ee0 s TYR 51 Cb -0.13 -2.75 0.05 0.00 -0.40 0.00 0.00 41.96 38.73 2ee0 s TYR 51 CO 0.06 -0.86 0.59 0.96 -1.57 0.00 0.00 175.55 174.73 2ee0 s ILE 52 N 1.28 2.05 0.34 2.71 -4.36 -1.21 -4.26 121.20 117.77 2ee0 s ILE 52 Ca 0.02 -1.22 -0.21 0.00 -0.26 0.00 0.00 60.65 58.99 2ee0 s ILE 52 Cb -0.22 -2.27 -0.10 0.00 1.25 0.00 0.00 42.46 41.12 2ee0 s ILE 52 CO -0.01 0.00 0.87 -0.36 0.24 0.00 0.00 174.94 175.68 2ee0 s PHE 53 N -2.67 3.48 0.00 1.37 0.08 -1.26 -2.48 117.98 116.50 2ee0 s PHE 53 Ca 0.50 1.54 0.00 0.00 0.12 0.00 0.00 56.93 59.09 2ee0 s PHE 53 Cb -0.04 -2.77 0.00 0.00 -0.57 0.00 0.00 43.02 39.64 2ee0 s PHE 53 CO 0.31 0.09 0.00 0.41 -0.10 0.00 0.00 175.22 175.93 2ee0 n GLY 54 N -0.03 -2.57 3.93 4.36 0.00 -0.45 -4.80 105.19 105.64 2ee0 n GLY 54 Ca 0.03 -1.40 -0.29 0.00 0.00 0.00 0.00 46.02 44.37 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 -2.84 3.98 -1.63 4.61 0.00 -1.26 -4.35 121.76 120.28 2ee0 s ALA 55 Ca 0.00 -0.93 -0.00 0.00 0.00 0.00 0.00 51.96 51.03 2ee0 s ALA 55 Cb 0.00 -1.81 0.00 0.00 0.00 0.00 0.00 23.12 21.31 2ee0 s ALA 55 CO 0.00 0.68 0.01 1.04 0.00 0.00 0.00 175.76 177.49 2ee0 n GLN 56 N -0.14 -1.60 -3.39 0.00 1.13 -1.26 -4.96 117.38 107.15 2ee0 n GLN 56 Ca -0.06 0.92 -0.38 0.00 -1.94 0.00 0.00 57.00 55.54 2ee0 n GLN 56 Cb 0.53 -5.49 -0.08 0.00 0.11 0.00 0.00 30.24 25.30 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 -2.96 5.19 0.70 5.09 1.01 -1.26 -5.06 120.40 123.11 2ee0 s VAL 57 Ca 0.01 0.66 -0.16 0.00 0.00 0.00 0.00 61.98 62.49 2ee0 s VAL 57 Cb -0.00 -3.72 0.02 0.00 0.00 0.00 0.00 36.38 32.68 2ee0 s VAL 57 CO 0.01 0.22 1.25 0.00 0.00 0.00 0.00 175.10 176.58 2ee0 s ALA 58 N 1.56 2.20 -0.02 5.51 0.00 -1.26 -4.96 121.76 124.79 2ee0 s ALA 58 Ca 0.18 1.04 -0.25 0.00 0.00 0.00 0.00 51.96 52.92 2ee0 s ALA 58 Cb -0.15 -3.51 -0.20 0.00 0.00 0.00 0.00 23.12 19.26 2ee0 s ALA 58 CO 0.08 -1.80 1.24 -1.00 0.00 0.00 0.00 175.76 174.28 2ee0 h PRO 59 N 0.04 -0.05 -1.25 0.00 0.13 -1.99 -3.15 132.00 125.72 2ee0 h PRO 59 Ca -0.49 0.00 0.37 0.00 -0.87 0.00 0.00 66.00 65.01 2ee0 h PRO 59 Cb 1.32 0.01 -0.10 0.00 0.13 0.00 0.00 31.00 32.36 2ee0 h PRO 59 CO 0.51 0.41 0.83 0.00 -0.23 0.00 0.00 178.00 179.52 2ee0 h ALA 60 N 0.39 2.71 -0.24 -0.56 0.00 -1.99 0.72 119.26 120.29 2ee0 h ALA 60 Ca -0.01 0.06 -0.19 0.00 0.00 0.00 0.00 54.91 54.77 2ee0 h ALA 60 Cb 0.49 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.40 2ee0 h ALA 60 CO 0.01 -1.21 -0.59 1.15 0.00 0.00 0.00 179.25 178.61 2ee0 h THR 61 N 0.17 1.29 -0.03 0.00 2.02 -1.94 -1.22 112.91 113.21 2ee0 h THR 61 Ca 0.71 -1.80 -0.14 0.00 0.77 0.00 0.00 66.41 65.95 2ee0 h THR 61 Cb 2.24 1.73 -0.02 0.00 -1.74 0.00 0.00 68.15 70.36 2ee0 h THR 61 CO -0.28 0.58 -0.64 0.11 0.37 0.00 0.00 175.52 175.67 2ee0 h LYS 62 N 0.58 0.10 0.10 6.66 1.57 0.34 -2.97 116.57 122.96 2ee0 h LYS 62 Ca 0.00 -0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 2ee0 h LYS 62 Cb 1.18 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.51 2ee0 h LYS 62 CO 0.12 0.70 -0.05 0.00 -0.57 0.00 0.00 179.45 179.66 2ee0 h ARG 63 N 0.07 -0.13 -0.95 3.15 3.08 -0.77 -3.34 114.38 115.48 2ee0 h ARG 63 Ca -0.01 0.01 0.26 0.00 0.07 0.00 0.00 59.98 60.31 2ee0 h ARG 63 Cb 1.14 0.03 -0.17 0.00 0.08 0.00 0.00 29.97 31.04 2ee0 h ARG 63 CO 0.09 -0.09 0.06 -0.07 -1.07 0.00 0.00 179.97 178.90 2ee0 h LEU 64 N -0.55 -0.39-10.61 3.04 3.38 -1.35 -3.41 115.31 105.42 2ee0 h LEU 64 Ca -0.01 0.26 -0.46 0.00 0.09 0.00 0.00 57.88 57.76 2ee0 h LEU 64 Cb 0.11 0.44 0.05 0.00 0.09 0.00 0.00 40.66 41.35 2ee0 h LEU 64 CO 0.02 -0.32 -0.03 -0.36 0.09 0.00 0.00 178.44 177.84 2ee0 s PHE 65 N -6.00 1.98 -0.14 1.13 0.40 -1.12 0.43 117.98 114.66 2ee0 s PHE 65 Ca -0.13 -0.36 -0.04 0.00 -0.60 0.00 0.00 56.93 55.80 2ee0 s PHE 65 Cb 0.28 -2.64 0.05 0.00 0.51 0.00 0.00 43.02 41.22 2ee0 s PHE 65 CO 0.78 -1.20 0.08 0.00 0.70 0.00 0.00 175.22 175.58 2ee0 s ALA 66 N -2.82 0.39 -0.14 5.36 0.00 0.65 -4.45 121.76 120.76 2ee0 s ALA 66 Ca 0.62 -0.19 -0.07 0.00 0.00 0.00 0.00 51.96 52.32 2ee0 s ALA 66 Cb -0.07 -0.93 -0.04 0.00 0.00 0.00 0.00 23.12 22.08 2ee0 s ALA 66 CO 0.40 -0.99 0.12 -1.17 0.00 0.00 0.00 175.76 174.12 2ee0 s LEU 67 N 2.14 4.26 -0.16 0.00 2.96 -1.26 -1.47 118.68 125.15 2ee0 s LEU 67 Ca 0.03 0.38 -0.07 0.00 -0.22 0.00 0.00 54.13 54.25 2ee0 s LEU 67 Cb -0.15 -2.05 -0.04 0.00 0.50 0.00 0.00 46.19 44.45 2ee0 s LEU 67 CO -0.07 0.35 0.08 0.20 -1.32 0.00 0.00 176.35 175.58 2ee0 s ASN 68 N -0.67 5.80 0.00 3.68 -0.87 -1.22 -4.98 114.94 116.69 2ee0 s ASN 68 Ca 0.13 0.19 0.20 0.00 -1.57 0.00 0.00 52.86 51.81 2ee0 s ASN 68 Cb -0.12 -1.93 0.55 0.00 -0.02 0.00 0.00 41.25 39.73 2ee0 s ASN 68 CO 0.02 0.25 1.46 0.59 -2.57 0.00 0.00 177.10 176.86 2ee0 n ASN 69 N 3.00 3.32 -0.00 -1.22 4.13 -1.26 -1.77 115.26 121.45 2ee0 n ASN 69 Ca -0.17 -1.98 -0.00 0.00 1.68 0.00 0.00 54.58 54.10 2ee0 n ASN 69 Cb 0.53 -0.37 -0.01 0.00 -1.54 0.00 0.00 39.78 38.39 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 1.33 0.05 0.00 3.41 -2.24 -1.26 -4.00 114.28 111.56 2ee0 n THR 70 Ca 0.21 -0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.95 2ee0 n THR 70 Cb 0.54 -0.50 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 -1.87 0.00 -3.71 4.28 -2.24 -1.26 -5.03 114.28 104.45 2ee0 n THR 71 Ca -0.01 -0.35 -0.25 0.00 -2.27 0.00 0.00 64.05 61.17 2ee0 n THR 71 Cb 0.37 0.89 0.06 0.00 -2.10 0.00 0.00 70.33 69.54 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 1.14 -0.47 3.11 3.38 0.00 -0.73 -4.80 105.19 106.82 2ee0 n GLY 72 Ca 0.00 0.20 -0.33 0.00 0.00 0.00 0.00 46.02 45.89 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 -7.10 2.33 -0.21 0.99 2.96 -1.26 -3.24 118.68 113.17 2ee0 s LEU 73 Ca 0.46 -0.77 -0.23 0.00 -0.22 0.00 0.00 54.13 53.38 2ee0 s LEU 73 Cb -0.22 -1.49 -0.02 0.00 0.50 0.00 0.00 46.19 44.97 2ee0 s LEU 73 CO 0.78 -0.03 0.73 -0.63 -1.32 0.00 0.00 176.35 175.88 2ee0 s ILE 74 N 1.26 4.94 0.10 6.68 1.01 -1.14 -3.38 121.20 130.67 2ee0 s ILE 74 Ca 0.03 1.39 0.03 0.00 0.00 0.00 0.00 60.65 62.10 2ee0 s ILE 74 Cb -0.14 -4.03 -0.04 0.00 0.01 0.00 0.00 42.46 38.26 2ee0 s ILE 74 CO -0.12 0.04 -0.10 0.42 0.00 0.00 0.00 174.94 175.18 2ee0 s THR 75 N 2.24 0.92 0.28 2.92 -4.23 -0.54 -1.37 115.64 115.86 2ee0 s THR 75 Ca 0.32 -1.71 -0.30 0.00 -1.18 0.00 0.00 61.69 58.82 2ee0 s THR 75 Cb -0.16 -1.43 -0.12 0.00 1.34 0.00 0.00 72.50 72.13 2ee0 s THR 75 CO 0.10 -0.61 1.60 0.52 -0.54 0.00 0.00 174.62 175.68 2ee0 n VAL 76 N 0.42 0.87 -0.03 2.29 0.31 -1.08 -0.25 118.33 120.86 2ee0 n VAL 76 Ca -0.15 -0.22 -0.02 0.00 -0.01 0.00 0.00 64.34 63.95 2ee0 n VAL 76 Cb 0.58 -1.92 -0.07 0.00 -0.91 0.00 0.00 33.84 31.52 2ee0 n VAL 76 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 2ee0 n GLN 77 N 2.39 1.88 -3.46 5.55 7.27 0.84 -1.30 117.38 130.55 2ee0 n GLN 77 Ca 0.10 -0.03 -0.12 0.00 0.07 0.00 0.00 57.00 57.02 2ee0 n GLN 77 Cb 0.36 -1.23 -0.02 0.00 2.41 0.00 0.00 30.24 31.76 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 -2.35 1.31 0.17 3.69 0.52 0.17 -4.94 118.95 117.52 2ee0 s ARG 78 Ca -0.04 -0.51 -0.32 0.00 -0.52 0.00 0.00 55.73 54.34 2ee0 s ARG 78 Cb 0.04 0.59 -0.16 0.00 0.52 0.00 0.00 34.95 35.93 2ee0 s ARG 78 CO 0.37 -0.58 1.01 0.45 0.02 0.00 0.00 175.30 176.57 2ee0 n SER 79 N -0.38 0.70 -4.91 0.23 2.88 -1.26 -4.78 113.62 106.09 2ee0 n SER 79 Ca -0.16 1.15 -0.28 0.00 -1.33 0.00 0.00 58.87 58.25 2ee0 n SER 79 Cb 0.65 -1.14 -0.03 0.00 -0.75 0.00 0.00 64.21 62.93 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 0.98 4.05 -0.19 2.46 1.43 -1.16 -4.96 118.68 121.29 2ee0 s LEU 80 Ca 0.71 0.67 0.00 0.00 -1.03 0.00 0.00 54.13 54.48 2ee0 s LEU 80 Cb -0.89 -3.49 0.04 0.00 0.03 0.00 0.00 46.19 41.88 2ee0 s LEU 80 CO 0.55 -0.21 -0.07 -1.81 0.23 0.00 0.00 176.35 175.04 2ee0 s ASP 81 N -3.29 3.15 -0.01 2.29 1.01 -1.26 -4.79 116.67 113.76 2ee0 s ASP 81 Ca 0.43 -0.80 -0.20 0.00 0.71 0.00 0.00 52.55 52.69 2ee0 s ASP 81 Cb -0.11 -1.06 -0.30 0.00 1.01 0.00 0.00 42.92 42.46 2ee0 s ASP 81 CO 0.31 -0.18 0.97 -0.09 0.21 0.00 0.00 175.17 176.40 2ee0 h ARG 82 N 8.05 0.40 -0.99 8.23 2.43 -1.97 -3.08 114.38 127.46 2ee0 h ARG 82 Ca -0.25 -0.61 0.32 0.00 -0.81 0.00 0.00 59.98 58.64 2ee0 h ARG 82 Cb 1.10 0.22 -0.18 0.00 -0.42 0.00 0.00 29.97 30.69 2ee0 h ARG 82 CO 0.43 1.27 0.21 0.39 -1.51 0.00 0.00 179.97 180.76 2ee0 n GLU 83 N -4.04 -0.07 0.00 0.20 1.02 -1.26 -1.15 120.64 115.34 2ee0 n GLU 83 Ca -0.14 1.44 -0.07 0.00 -0.02 0.00 0.00 57.16 58.38 2ee0 n GLU 83 Cb 0.86 -2.39 -0.05 0.00 -0.02 0.00 0.00 31.44 29.84 2ee0 n GLU 83 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 2ee0 h GLU 84 N 0.00 -0.12 -3.45 3.49 4.57 -2.01 -3.46 114.58 113.60 2ee0 h GLU 84 Ca 0.69 0.01 -0.35 0.00 -1.18 0.00 0.00 59.36 58.52 2ee0 h GLU 84 Cb 1.60 0.03 -0.37 0.00 -0.16 0.00 0.00 28.75 29.84 2ee0 h GLU 84 CO -0.87 0.22 -0.74 -0.08 -1.18 0.00 0.00 179.01 176.36 2ee0 s THR 85 N -2.36 -0.02 -0.23 0.32 -1.32 -0.30 -5.01 115.64 106.72 2ee0 s THR 85 Ca -0.08 0.30 0.22 0.00 -1.21 0.00 0.00 61.69 60.93 2ee0 s THR 85 Cb -0.00 -0.17 -0.04 0.00 -1.51 0.00 0.00 72.50 70.77 2ee0 s THR 85 CO 0.29 0.16 0.99 0.00 -2.21 0.00 0.00 174.62 173.84 2ee0 n ALA 86 N 4.83 2.57 -4.00 11.08 0.00 -1.19 -4.02 120.51 129.79 2ee0 n ALA 86 Ca -0.13 -0.26 -0.30 0.00 0.00 0.00 0.00 53.44 52.74 2ee0 n ALA 86 Cb 0.50 -1.07 -0.16 0.00 0.00 0.00 0.00 19.45 18.72 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 -3.37 1.59 -0.37 0.00 1.01 -1.26 -2.29 121.20 116.51 2ee0 s ILE 87 Ca -0.01 -0.85 -0.13 0.00 0.00 0.00 0.00 60.65 59.66 2ee0 s ILE 87 Cb 0.10 -1.61 0.00 0.00 0.01 0.00 0.00 42.46 40.97 2ee0 s ILE 87 CO 0.80 0.27 0.25 -1.00 0.00 0.00 0.00 174.94 175.27 2ee0 s HIS 88 N 1.44 3.23 -0.45 3.97 3.76 -0.94 -4.93 115.29 121.36 2ee0 s HIS 88 Ca 0.01 -0.47 -0.13 0.00 -0.15 0.00 0.00 55.06 54.33 2ee0 s HIS 88 Cb -0.15 -2.50 0.08 0.00 1.11 0.00 0.00 32.58 31.11 2ee0 s HIS 88 CO -0.09 -0.49 0.34 0.15 -0.85 0.00 0.00 174.74 173.80 2ee0 s LYS 89 N 1.68 2.82 -0.11 1.40 1.02 -1.26 -1.79 119.74 123.49 2ee0 s LYS 89 Ca 0.05 -1.40 0.00 0.00 0.02 0.00 0.00 55.97 54.64 2ee0 s LYS 89 Cb -0.18 -3.98 -0.02 0.00 -0.52 0.00 0.00 37.83 33.13 2ee0 s LYS 89 CO 0.09 -1.00 -0.12 0.08 -0.92 0.00 0.00 175.35 173.49 2ee0 s VAL 90 N 1.55 3.18 -0.15 3.17 1.01 -1.20 -4.97 120.40 122.99 2ee0 s VAL 90 Ca 0.04 -0.63 -0.00 0.00 0.00 0.00 0.00 61.98 61.38 2ee0 s VAL 90 Cb -0.24 -2.32 -0.01 0.00 0.00 0.00 0.00 36.38 33.81 2ee0 s VAL 90 CO 0.05 0.54 -0.13 -0.89 0.00 0.00 0.00 175.10 174.67 2ee0 s THR 91 N 0.07 2.96 -0.01 3.92 2.01 -1.26 -2.14 115.64 121.19 2ee0 s THR 91 Ca -0.05 -0.68 -0.01 0.00 0.31 0.00 0.00 61.69 61.27 2ee0 s THR 91 Cb -0.14 -2.26 -0.04 0.00 0.01 0.00 0.00 72.50 70.07 2ee0 s THR 91 CO 0.04 0.51 0.07 -0.69 -0.69 0.00 0.00 174.62 173.87 2ee0 s VAL 92 N 0.61 4.70 -0.01 3.82 1.01 -1.06 -1.34 120.40 128.13 2ee0 s VAL 92 Ca -0.07 -0.39 0.03 0.00 0.00 0.00 0.00 61.98 61.54 2ee0 s VAL 92 Cb -0.16 -3.13 -0.03 0.00 0.00 0.00 0.00 36.38 33.06 2ee0 s VAL 92 CO 0.03 0.37 -0.08 -0.76 0.00 0.00 0.00 175.10 174.67 2ee0 s LEU 93 N -1.66 3.13 -0.26 3.92 1.43 -1.04 -2.95 118.68 121.24 2ee0 s LEU 93 Ca 0.22 -0.14 0.03 0.00 -1.03 0.00 0.00 54.13 53.21 2ee0 s LEU 93 Cb -0.12 -1.77 0.06 0.00 0.03 0.00 0.00 46.19 44.39 2ee0 s LEU 93 CO 0.13 0.30 -0.10 0.00 0.23 0.00 0.00 176.35 176.90 2ee0 s ALA 94 N -0.95 2.56 -0.32 4.21 0.00 -1.19 -3.29 121.76 122.78 2ee0 s ALA 94 Ca 0.16 -1.79 0.01 0.00 0.00 0.00 0.00 51.96 50.34 2ee0 s ALA 94 Cb -0.11 -1.60 0.08 0.00 0.00 0.00 0.00 23.12 21.49 2ee0 s ALA 94 CO 0.06 -1.22 0.02 0.45 0.00 0.00 0.00 175.76 175.07 2ee0 s SER 95 N 1.10 4.81 -0.24 0.00 0.15 -1.22 -1.92 113.70 116.39 2ee0 s SER 95 Ca -0.08 -1.68 0.13 0.00 0.70 0.00 0.00 55.95 55.02 2ee0 s SER 95 Cb -0.20 -1.67 0.56 0.00 -1.71 0.00 0.00 66.02 63.00 2ee0 s SER 95 CO -0.05 -0.33 1.51 -0.90 1.20 0.00 0.00 173.24 174.67 2ee0 n ASP 96 N 4.47 3.63 0.00 5.45 5.75 -1.26 -3.66 116.55 130.93 2ee0 n ASP 96 Ca -0.07 -3.28 0.00 0.00 -0.01 0.00 0.00 54.79 51.43 2ee0 n ASP 96 Cb 0.42 -0.61 0.00 0.00 -1.03 0.00 0.00 41.12 39.90 2ee0 n ASP 96 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2ee0 n GLY 97 N -0.65 0.77 3.25 6.12 0.00 -1.26 -4.98 105.19 108.44 2ee0 n GLY 97 Ca 0.29 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.16 2ee0 n GLY 97 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2ee0 s SER 98 N -1.37 1.65 0.15 1.61 1.04 -1.26 -4.96 113.70 110.55 2ee0 s SER 98 Ca 0.00 -1.07 -0.32 0.00 0.48 0.00 0.00 55.95 55.04 2ee0 s SER 98 Cb 0.00 0.02 -0.09 0.00 0.10 0.00 0.00 66.02 66.06 2ee0 s SER 98 CO 0.00 -0.41 1.55 0.28 0.98 0.00 0.00 173.24 175.64 2ee0 h SER 99 N 2.74 -1.98 -4.04 7.02 0.02 -2.00 -3.41 113.55 111.90 2ee0 h SER 99 Ca -0.37 0.28 -0.44 0.00 -0.84 0.00 0.00 61.79 60.43 2ee0 h SER 99 Cb 1.19 0.84 -0.29 0.00 0.14 0.00 0.00 62.40 64.28 2ee0 h SER 99 CO 0.64 -0.33 -0.79 -0.89 -1.14 0.00 0.00 176.83 174.31 2ee0 s THR 100 N -5.60 0.88 1.10 -2.27 2.01 -1.26 -5.15 115.64 105.35 2ee0 s THR 100 Ca -0.13 -0.46 -0.16 0.00 0.31 0.00 0.00 61.69 61.25 2ee0 s THR 100 Cb 0.10 -0.75 0.24 0.00 0.01 0.00 0.00 72.50 72.10 2ee0 s THR 100 CO 0.62 0.25 1.10 -2.16 -0.69 0.00 0.00 174.62 173.74 2ee0 s PRO 101 N -0.16 -0.41 0.67 4.92 0.04 -1.26 -4.98 135.00 133.82 2ee0 s PRO 101 Ca 0.03 0.23 -0.08 0.00 0.04 0.00 0.00 61.00 61.22 2ee0 s PRO 101 Cb -0.05 -1.66 0.04 0.00 0.04 0.00 0.00 34.50 32.86 2ee0 s PRO 101 CO -0.00 -3.24 1.00 0.00 0.04 0.00 0.00 177.00 174.80 2ee0 s ALA 102 N -2.98 3.13 -0.09 8.56 0.00 -0.81 -4.76 121.76 124.81 2ee0 s ALA 102 Ca 0.68 -0.72 0.02 0.00 0.00 0.00 0.00 51.96 51.94 2ee0 s ALA 102 Cb -0.15 -2.70 0.01 0.00 0.00 0.00 0.00 23.12 20.29 2ee0 s ALA 102 CO 0.57 -1.12 -0.14 1.03 0.00 0.00 0.00 175.76 176.10 2ee0 s ARG 103 N -5.20 2.05 -0.09 0.00 0.52 -1.26 -3.19 118.95 111.79 2ee0 s ARG 103 Ca 0.58 -0.51 -0.02 0.00 -0.52 0.00 0.00 55.73 55.25 2ee0 s ARG 103 Cb -0.11 -1.72 0.03 0.00 0.52 0.00 0.00 34.95 33.68 2ee0 s ARG 103 CO 0.46 -0.02 0.02 0.00 0.02 0.00 0.00 175.30 175.79 2ee0 s ALA 104 N 0.84 0.62 -0.01 2.13 0.00 -1.15 -5.01 121.76 119.17 2ee0 s ALA 104 Ca -0.10 -0.14 -0.18 0.00 0.00 0.00 0.00 51.96 51.54 2ee0 s ALA 104 Cb -0.15 -0.79 -0.05 0.00 0.00 0.00 0.00 23.12 22.12 2ee0 s ALA 104 CO 0.01 -0.60 0.49 0.99 0.00 0.00 0.00 175.76 176.65 2ee0 s THR 105 N 2.01 4.98 -0.30 0.00 2.01 -1.26 -2.55 115.64 120.54 2ee0 s THR 105 Ca 0.04 1.02 -0.00 0.00 0.31 0.00 0.00 61.69 63.05 2ee0 s THR 105 Cb -0.13 -3.81 0.10 0.00 0.01 0.00 0.00 72.50 68.66 2ee0 s THR 105 CO -0.05 0.48 0.08 -0.69 -0.69 0.00 0.00 174.62 173.75 2ee0 s VAL 106 N -0.51 1.08 -0.04 3.82 1.01 -0.91 -3.69 120.40 121.16 2ee0 s VAL 106 Ca 0.27 -1.46 -0.30 0.00 0.00 0.00 0.00 61.98 60.48 2ee0 s VAL 106 Cb -0.17 -1.77 -0.03 0.00 0.00 0.00 0.00 36.38 34.41 2ee0 s VAL 106 CO 0.14 -0.61 1.07 -0.89 0.00 0.00 0.00 175.10 174.82 2ee0 s THR 107 N 1.52 4.59 -0.23 3.92 2.01 -1.11 -3.24 115.64 123.10 2ee0 s THR 107 Ca 0.08 1.86 -0.03 0.00 0.31 0.00 0.00 61.69 63.92 2ee0 s THR 107 Cb -0.18 -4.20 0.00 0.00 0.01 0.00 0.00 72.50 68.14 2ee0 s THR 107 CO -0.21 0.06 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.11 2ee0 s ILE 108 N 1.63 3.21 -0.33 1.82 1.01 -0.74 -2.08 121.20 125.73 2ee0 s ILE 108 Ca 0.53 -0.65 -0.15 0.00 0.00 0.00 0.00 60.65 60.37 2ee0 s ILE 108 Cb -0.22 -2.51 -0.02 0.00 0.01 0.00 0.00 42.46 39.73 2ee0 s ILE 108 CO 0.23 0.36 0.38 0.20 0.00 0.00 0.00 174.94 176.11 2ee0 s ASN 109 N 1.43 6.21 -0.24 3.58 0.01 0.64 -2.22 114.94 124.35 2ee0 s ASN 109 Ca 0.04 -0.11 -0.25 0.00 -0.71 0.00 0.00 52.86 51.83 2ee0 s ASN 109 Cb -0.15 -2.21 -0.00 0.00 0.41 0.00 0.00 41.25 39.30 2ee0 s ASN 109 CO -0.04 -0.33 0.86 -0.69 -1.51 0.00 0.00 177.10 175.39 2ee0 s VAL 110 N 2.08 4.82 0.30 1.60 1.01 -0.97 -1.86 120.40 127.38 2ee0 s VAL 110 Ca 0.13 1.63 0.07 0.00 0.00 0.00 0.00 61.98 63.81 2ee0 s VAL 110 Cb -0.16 -4.14 -0.03 0.00 0.00 0.00 0.00 36.38 32.05 2ee0 s VAL 110 CO 0.12 -0.08 0.28 0.42 0.00 0.00 0.00 175.10 175.84 2ee0 s THR 111 N 2.83 4.06 0.86 3.92 -4.23 -0.58 -4.93 115.64 117.57 2ee0 s THR 111 Ca 0.36 -1.31 -0.12 0.00 -1.18 0.00 0.00 61.69 59.44 2ee0 s THR 111 Cb -0.15 -3.34 0.11 0.00 1.34 0.00 0.00 72.50 70.46 2ee0 s THR 111 CO 0.07 -0.25 1.17 -1.81 -0.54 0.00 0.00 174.62 173.26 2ee0 s ASP 112 N -3.96 4.00 -0.13 3.99 1.01 -1.26 -2.38 116.67 117.94 2ee0 s ASP 112 Ca 0.38 0.84 -0.01 0.00 0.71 0.00 0.00 52.55 54.47 2ee0 s ASP 112 Cb -0.07 -1.35 0.04 0.00 1.01 0.00 0.00 42.92 42.54 2ee0 s ASP 112 CO 0.27 -2.23 -0.01 0.68 0.21 0.00 0.00 175.17 174.08 2ee0 s VAL 113 N -3.45 0.68 -2.68 -1.27 -7.23 -1.26 -4.78 120.40 100.41 2ee0 s VAL 113 Ca 0.63 -0.28 0.27 0.00 -1.81 0.00 0.00 61.98 60.79 2ee0 s VAL 113 Cb -0.12 -0.91 0.42 0.00 0.56 0.00 0.00 36.38 36.33 2ee0 s VAL 113 CO 0.51 0.13 1.57 0.59 -0.31 0.00 0.00 175.10 177.59