#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 -0.48 0.15 1.61 0.01 -1.26 -5.18 113.70 108.55 2ee0 s SER 2 Ca 0.00 0.72 -0.08 0.00 1.31 0.00 0.00 55.95 57.90 2ee0 s SER 2 Cb 0.00 0.74 -0.01 0.00 0.21 0.00 0.00 66.02 66.96 2ee0 s SER 2 CO 0.00 -0.36 0.24 -0.44 0.41 0.00 0.00 173.24 173.09 2ee0 s SER 3 N -0.51 0.09 0.23 2.44 0.01 -1.26 -5.18 113.70 109.52 2ee0 s SER 3 Ca -0.06 -0.90 0.00 0.00 1.31 0.00 0.00 55.95 56.30 2ee0 s SER 3 Cb -0.03 0.40 -0.05 0.00 0.21 0.00 0.00 66.02 66.56 2ee0 s SER 3 CO 0.04 -0.85 0.11 -0.83 0.41 0.00 0.00 173.24 172.12 2ee0 s GLY 4 N -2.97 1.60 -0.06 3.44 0.00 -1.26 -5.16 107.32 102.90 2ee0 s GLY 4 Ca 0.17 -1.78 0.03 0.00 0.00 0.00 0.00 44.72 43.14 2ee0 s GLY 4 CO -0.01 -1.50 -0.15 -0.56 0.00 0.00 0.00 173.10 170.88 2ee0 s SER 5 N -3.24 2.05 0.76 1.64 0.01 -1.26 -5.12 113.70 108.54 2ee0 s SER 5 Ca 0.38 -0.35 -0.16 0.00 1.31 0.00 0.00 55.95 57.14 2ee0 s SER 5 Cb 0.07 -0.85 -0.04 0.00 0.21 0.00 0.00 66.02 65.42 2ee0 s SER 5 CO 0.13 0.08 0.43 -1.20 0.41 0.00 0.00 173.24 173.09 2ee0 n SER 6 N 3.60 -1.61 -4.56 2.44 7.64 -1.26 -4.77 113.62 115.11 2ee0 n SER 6 Ca -0.21 0.54 -0.30 0.00 1.01 0.00 0.00 58.87 59.91 2ee0 n SER 6 Cb 0.52 -1.18 -0.04 0.00 -1.01 0.00 0.00 64.21 62.50 2ee0 n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2ee0 s GLY 7 N -1.51 0.10 0.01 0.23 0.00 -1.26 -4.95 107.32 99.94 2ee0 s GLY 7 Ca 0.63 -1.10 -0.14 0.00 0.00 0.00 0.00 44.72 44.10 2ee0 s GLY 7 CO 0.61 3.54 0.41 0.21 0.00 0.00 0.00 173.10 177.86 2ee0 s ASN 8 N 8.40 6.80 -0.27 1.64 2.47 -1.26 -5.07 114.94 127.64 2ee0 s ASN 8 Ca 0.71 0.96 -0.00 0.00 0.42 0.00 0.00 52.86 54.95 2ee0 s ASN 8 Cb -0.10 -2.25 0.08 0.00 -1.45 0.00 0.00 41.25 37.54 2ee0 s ASN 8 CO 0.08 0.30 0.04 -1.81 -3.72 0.00 0.00 177.10 172.00 2ee0 s ASP 9 N -1.16 3.86 -0.29 -4.21 1.01 -1.26 -5.03 116.67 109.59 2ee0 s ASP 9 Ca 0.25 -1.42 -0.20 0.00 0.71 0.00 0.00 52.55 51.88 2ee0 s ASP 9 Cb -0.16 -0.99 0.14 0.00 1.01 0.00 0.00 42.92 42.91 2ee0 s ASP 9 CO 0.14 -0.34 1.03 0.21 0.21 0.00 0.00 175.17 176.42 2ee0 s ASN 10 N 1.51 -0.45 -0.06 0.27 3.84 -1.26 -5.09 114.94 113.70 2ee0 s ASN 10 Ca 0.04 0.79 -0.03 0.00 0.21 0.00 0.00 52.86 53.86 2ee0 s ASN 10 Cb -0.18 1.01 -0.04 0.00 -0.55 0.00 0.00 41.25 41.49 2ee0 s ASN 10 CO -0.15 -0.13 0.10 -0.13 -2.79 0.00 0.00 177.10 174.00 2ee0 s ARG 11 N 0.81 3.22 -0.67 0.43 0.52 -1.26 -4.94 118.95 117.05 2ee0 s ARG 11 Ca -0.03 -0.33 -0.26 0.00 -0.52 0.00 0.00 55.73 54.59 2ee0 s ARG 11 Cb -0.04 -2.98 -0.03 0.00 0.52 0.00 0.00 34.95 32.42 2ee0 s ARG 11 CO -0.11 0.71 1.88 -1.25 0.02 0.00 0.00 175.30 176.54 2ee0 s PRO 12 N -1.36 2.61 -0.28 3.54 0.04 -1.26 -4.96 135.00 133.34 2ee0 s PRO 12 Ca 0.19 0.42 -0.27 0.00 0.04 0.00 0.00 61.00 61.38 2ee0 s PRO 12 Cb -0.12 -4.53 0.01 0.00 0.04 0.00 0.00 34.50 29.89 2ee0 s PRO 12 CO 0.09 -2.88 0.95 0.14 0.04 0.00 0.00 177.00 175.35 2ee0 s VAL 13 N 9.31 4.69 -0.22 -0.36 -7.23 -1.26 -4.71 120.40 120.61 2ee0 s VAL 13 Ca 0.68 1.66 -0.28 0.00 -1.81 0.00 0.00 61.98 62.23 2ee0 s VAL 13 Cb -0.11 -4.27 -0.04 0.00 0.56 0.00 0.00 36.38 32.52 2ee0 s VAL 13 CO 0.16 -0.26 2.02 -0.36 -0.31 0.00 0.00 175.10 176.35 2ee0 s PHE 14 N 3.21 1.44 0.28 2.82 0.08 -1.26 -4.81 117.98 119.74 2ee0 s PHE 14 Ca 0.40 0.46 0.01 0.00 0.12 0.00 0.00 56.93 57.92 2ee0 s PHE 14 Cb -0.14 -4.02 0.67 0.00 -0.57 0.00 0.00 43.02 38.96 2ee0 s PHE 14 CO 0.10 -3.82 1.42 1.17 -0.10 0.00 0.00 175.22 173.99 2ee0 n LYS 15 N 8.44 -0.07 -3.81 0.44 3.00 -1.25 -3.67 118.16 121.24 2ee0 n LYS 15 Ca 0.26 1.36 -0.29 0.00 -0.00 0.00 0.00 58.31 59.64 2ee0 n LYS 15 Cb 0.45 -2.15 -0.16 0.00 0.00 0.00 0.00 35.03 33.17 2ee0 n LYS 15 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 2ee0 s GLU 16 N -5.90 1.00 0.00 1.64 2.02 -1.26 -5.08 118.70 111.12 2ee0 s GLU 16 Ca -0.12 -0.78 0.00 0.00 0.02 0.00 0.00 54.97 54.09 2ee0 s GLU 16 Cb 0.26 -2.27 0.00 0.00 0.10 0.00 0.00 34.13 32.23 2ee0 s GLU 16 CO 0.71 -0.71 0.00 0.41 0.02 0.00 0.00 175.26 175.69 2ee0 n GLY 17 N 4.87 -1.39 3.66 -1.39 0.00 -1.24 -4.75 105.19 104.95 2ee0 n GLY 17 Ca -0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.53 2ee0 n GLY 17 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2ee0 s GLN 18 N 0.00 4.22 -0.02 1.61 0.74 -1.26 -4.28 119.66 120.67 2ee0 s GLN 18 Ca 0.00 0.78 0.02 0.00 0.05 0.00 0.00 55.36 56.22 2ee0 s GLN 18 Cb 0.00 -3.60 0.00 0.00 1.10 0.00 0.00 33.01 30.52 2ee0 s GLN 18 CO 0.00 -0.33 -0.08 0.08 -0.55 0.00 0.00 175.29 174.41 2ee0 s VAL 19 N 2.20 0.70 -0.19 1.34 1.01 -1.25 -5.04 120.40 119.17 2ee0 s VAL 19 Ca 0.32 -0.33 -0.07 0.00 0.00 0.00 0.00 61.98 61.91 2ee0 s VAL 19 Cb -0.16 -0.62 -0.04 0.00 0.00 0.00 0.00 36.38 35.56 2ee0 s VAL 19 CO 0.10 0.22 0.05 -0.70 0.00 0.00 0.00 175.10 174.78 2ee0 s GLU 20 N 0.14 3.92 0.16 2.72 2.12 -1.26 -2.51 118.70 123.99 2ee0 s GLU 20 Ca -0.02 -0.37 0.08 0.00 0.36 0.00 0.00 54.97 55.02 2ee0 s GLU 20 Cb -0.07 -3.20 -0.04 0.00 0.26 0.00 0.00 34.13 31.08 2ee0 s GLU 20 CO 0.00 0.23 -0.18 0.14 -0.54 0.00 0.00 175.26 174.91 2ee0 s VAL 21 N 0.48 1.81 -0.28 3.70 -7.23 -1.09 -5.05 120.40 112.75 2ee0 s VAL 21 Ca 0.03 -1.89 0.03 0.00 -1.81 0.00 0.00 61.98 58.34 2ee0 s VAL 21 Cb -0.13 -1.82 0.07 0.00 0.56 0.00 0.00 36.38 35.06 2ee0 s VAL 21 CO 0.01 -0.29 -0.07 -1.00 -0.31 0.00 0.00 175.10 173.43 2ee0 s HIS 22 N -1.98 3.35 -0.04 2.82 3.76 -1.26 -2.04 115.29 119.89 2ee0 s HIS 22 Ca 0.15 -2.46 0.05 0.00 -0.15 0.00 0.00 55.06 52.65 2ee0 s HIS 22 Cb -0.06 -2.13 -0.01 0.00 1.11 0.00 0.00 32.58 31.49 2ee0 s HIS 22 CO 0.06 -0.89 -0.20 -1.50 -0.85 0.00 0.00 174.74 171.36 2ee0 s ILE 23 N 1.07 1.63 0.43 0.60 2.07 -0.76 -4.96 121.20 121.28 2ee0 s ILE 23 Ca -0.05 -0.83 -0.24 0.00 -1.41 0.00 0.00 60.65 58.12 2ee0 s ILE 23 Cb -0.20 -1.39 -0.08 0.00 0.13 0.00 0.00 42.46 40.93 2ee0 s ILE 23 CO -0.06 0.46 1.18 -2.16 -1.91 0.00 0.00 174.94 172.45 2ee0 s PRO 24 N -0.07 3.90 0.42 3.50 0.04 -1.26 -0.84 135.00 140.69 2ee0 s PRO 24 Ca -0.03 1.83 0.11 0.00 0.04 0.00 0.00 61.00 62.95 2ee0 s PRO 24 Cb -0.12 -2.54 0.92 0.00 0.04 0.00 0.00 34.50 32.79 2ee0 s PRO 24 CO 0.02 -0.45 2.00 1.05 0.04 0.00 0.00 177.00 179.67 2ee0 h GLU 25 N 2.34 0.25 -0.68 4.56 4.11 -1.29 -0.84 114.58 123.03 2ee0 h GLU 25 Ca -0.49 -0.04 0.00 0.00 0.07 0.00 0.00 59.36 58.90 2ee0 h GLU 25 Cb 1.24 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.45 2ee0 h GLU 25 CO 0.61 0.28 0.00 0.09 0.07 0.00 0.00 179.01 180.07 2ee0 n ASN 26 N -4.38 2.51 -4.72 3.06 4.13 -1.26 -3.63 115.26 110.97 2ee0 n ASN 26 Ca -0.00 -2.26 -0.41 0.00 1.68 0.00 0.00 54.58 53.59 2ee0 n ASN 26 Cb 0.18 -0.47 0.01 0.00 -1.54 0.00 0.00 39.78 37.97 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 0.28 1.48 -2.19 5.41 0.00 -0.32 -4.92 120.51 120.25 2ee0 n ALA 27 Ca 0.11 0.26 -0.42 0.00 0.00 0.00 0.00 53.44 53.39 2ee0 n ALA 27 Cb 0.52 -2.30 -0.03 0.00 0.00 0.00 0.00 19.45 17.64 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 -2.26 4.31 0.18 0.00 0.04 -1.26 -4.75 135.00 131.26 2ee0 s PRO 28 Ca 0.61 2.03 -0.33 0.00 0.04 0.00 0.00 61.00 63.35 2ee0 s PRO 28 Cb -0.49 -3.38 -0.13 0.00 0.04 0.00 0.00 34.50 30.53 2ee0 s PRO 28 CO 0.58 -0.48 1.59 1.55 0.04 0.00 0.00 177.00 180.28 2ee0 n VAL 29 N 4.22 0.09 0.00 -0.36 3.14 -1.26 -2.76 118.33 121.39 2ee0 n VAL 29 Ca 0.12 -0.02 0.00 0.00 -2.96 0.00 0.00 64.34 61.48 2ee0 n VAL 29 Cb 0.43 -1.62 0.00 0.00 -1.06 0.00 0.00 33.84 31.58 2ee0 n VAL 29 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2ee0 n GLY 30 N 3.40 1.14 3.73 7.55 0.00 0.21 -5.00 105.19 116.21 2ee0 n GLY 30 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 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 5.07 -0.19 2.61 2.01 -1.11 -4.74 115.64 117.28 2ee0 s THR 31 Ca 0.00 1.23 -0.29 0.00 0.31 0.00 0.00 61.69 62.94 2ee0 s THR 31 Cb 0.00 -3.94 -0.03 0.00 0.01 0.00 0.00 72.50 68.54 2ee0 s THR 31 CO 0.00 0.32 1.61 -0.94 -0.69 0.00 0.00 174.62 174.92 2ee0 s SER 32 N 0.51 6.44 -0.03 3.53 1.04 -1.26 -1.49 113.70 122.44 2ee0 s SER 32 Ca 0.32 1.74 -0.02 0.00 0.48 0.00 0.00 55.95 58.47 2ee0 s SER 32 Cb -0.17 -2.53 -0.01 0.00 0.10 0.00 0.00 66.02 63.41 2ee0 s SER 32 CO 0.15 -1.18 -0.03 0.58 0.98 0.00 0.00 173.24 173.74 2ee0 h VAL 33 N 6.02 0.00 -3.92 5.02 2.07 -1.84 -3.49 116.25 120.12 2ee0 h VAL 33 Ca -0.34 -0.25 -0.20 0.00 0.82 0.00 0.00 66.70 66.73 2ee0 h VAL 33 Cb 1.16 0.00 -0.23 0.00 -1.52 0.00 0.00 31.29 30.70 2ee0 h VAL 33 CO 0.99 0.00 -0.71 -0.51 0.02 0.00 0.00 177.57 177.36 2ee0 s ILE 34 N -1.26 0.12 -0.04 4.57 1.10 -1.23 -5.07 121.20 119.40 2ee0 s ILE 34 Ca -0.03 -0.69 0.06 0.00 -0.51 0.00 0.00 60.65 59.49 2ee0 s ILE 34 Cb 0.00 -0.23 -0.01 0.00 0.15 0.00 0.00 42.46 42.37 2ee0 s ILE 34 CO 0.04 -0.36 -0.23 -1.58 -2.11 0.00 0.00 174.94 170.70 2ee0 s GLN 35 N -1.09 2.16 -0.16 3.50 2.00 -1.26 -2.13 119.66 122.68 2ee0 s GLN 35 Ca -0.11 -0.82 -0.07 0.00 -2.00 0.00 0.00 55.36 52.35 2ee0 s GLN 35 Cb -0.07 -1.92 -0.04 0.00 0.80 0.00 0.00 33.01 31.77 2ee0 s GLN 35 CO -0.01 0.40 0.09 -0.51 -0.50 0.00 0.00 175.29 174.76 2ee0 s LEU 36 N -0.27 4.00 -0.27 3.68 1.43 -1.19 -5.01 118.68 121.05 2ee0 s LEU 36 Ca 0.01 0.21 0.01 0.00 -1.03 0.00 0.00 54.13 53.33 2ee0 s LEU 36 Cb -0.12 -2.00 0.08 0.00 0.03 0.00 0.00 46.19 44.19 2ee0 s LEU 36 CO 0.02 0.26 -0.00 -2.28 0.23 0.00 0.00 176.35 174.57 2ee0 s HIS 37 N -0.12 2.53 -0.32 0.29 2.46 -1.26 -4.85 115.29 114.02 2ee0 s HIS 37 Ca 0.08 -2.00 0.03 0.00 0.47 0.00 0.00 55.06 53.64 2ee0 s HIS 37 Cb -0.12 -1.88 0.09 0.00 -0.13 0.00 0.00 32.58 30.55 2ee0 s HIS 37 CO 0.01 -0.83 0.04 0.00 -2.47 0.00 0.00 174.74 171.48 2ee0 s ALA 38 N 1.34 2.56 -0.20 1.58 0.00 -1.26 -3.81 121.76 121.98 2ee0 s ALA 38 Ca 0.01 -2.23 0.01 0.00 0.00 0.00 0.00 51.96 49.75 2ee0 s ALA 38 Cb -0.19 -1.83 0.04 0.00 0.00 0.00 0.00 23.12 21.14 2ee0 s ALA 38 CO -0.10 -1.60 -0.12 0.95 0.00 0.00 0.00 175.76 174.88 2ee0 s THR 39 N 1.08 1.79 1.16 0.00 -4.23 -1.26 -4.84 115.64 109.33 2ee0 s THR 39 Ca 0.08 -1.06 -0.17 0.00 -1.18 0.00 0.00 61.69 59.36 2ee0 s THR 39 Cb -0.19 -1.80 0.27 0.00 1.34 0.00 0.00 72.50 72.11 2ee0 s THR 39 CO -0.11 0.23 1.09 1.51 -0.54 0.00 0.00 174.62 176.80 2ee0 s ASP 40 N 1.34 1.24 -0.35 3.99 -4.77 -1.26 -4.83 116.67 112.03 2ee0 s ASP 40 Ca -0.01 0.85 -0.34 0.00 -3.30 0.00 0.00 52.55 49.76 2ee0 s ASP 40 Cb -0.16 -1.27 -0.10 0.00 -1.09 0.00 0.00 42.92 40.30 2ee0 s ASP 40 CO -0.09 -3.95 2.22 0.00 0.70 0.00 0.00 175.17 174.05 2ee0 n ALA 41 N -4.68 1.16 -0.28 2.11 0.00 -1.26 -4.81 120.51 112.75 2ee0 n ALA 41 Ca 0.10 -0.14 0.05 0.00 0.00 0.00 0.00 53.44 53.46 2ee0 n ALA 41 Cb 0.59 -2.63 0.15 0.00 0.00 0.00 0.00 19.45 17.56 2ee0 n ALA 41 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 2ee0 h ASP 42 N 13.14 -0.56 -2.71 0.00 1.82 -1.96 -3.37 116.42 122.79 2ee0 h ASP 42 Ca -0.28 0.23 -0.57 0.00 -0.39 0.00 0.00 57.03 56.02 2ee0 h ASP 42 Cb 1.31 0.44 -0.03 0.00 0.68 0.00 0.00 39.33 41.73 2ee0 h ASP 42 CO 1.03 -0.25 1.20 -0.51 -1.61 0.00 0.00 179.24 179.10 2ee0 s ILE 43 N -6.16 3.57 0.00 2.25 1.10 -1.26 -4.31 121.20 116.40 2ee0 s ILE 43 Ca -0.14 0.63 0.00 0.00 -0.51 0.00 0.00 60.65 60.63 2ee0 s ILE 43 Cb 0.24 -3.65 0.00 0.00 0.15 0.00 0.00 42.46 39.20 2ee0 s ILE 43 CO 0.76 -0.33 0.00 0.61 -2.11 0.00 0.00 174.94 173.87 2ee0 n GLY 44 N 4.98 0.05 3.24 1.50 0.00 -1.26 -5.09 105.19 108.62 2ee0 n GLY 44 Ca 0.21 0.01 -0.10 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.41 0.20 1.61 0.01 -1.26 -4.99 113.70 104.86 2ee0 s SER 45 Ca 0.00 0.87 -0.32 0.00 1.31 0.00 0.00 55.95 57.81 2ee0 s SER 45 Cb 0.00 0.85 -0.14 0.00 0.21 0.00 0.00 66.02 66.94 2ee0 s SER 45 CO 0.00 -0.20 1.42 -3.20 0.41 0.00 0.00 173.24 171.67 2ee0 n ASN 46 N 4.53 2.62 -4.22 2.44 2.85 -1.26 -4.99 115.26 117.22 2ee0 n ASN 46 Ca -0.20 1.13 -0.21 0.00 -0.11 0.00 0.00 54.58 55.18 2ee0 n ASN 46 Cb 0.54 -1.39 -0.12 0.00 1.24 0.00 0.00 39.78 40.04 2ee0 n ASN 46 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2ee0 s ALA 47 N 0.20 1.49 -0.60 5.20 0.00 -1.26 -5.11 121.76 121.70 2ee0 s ALA 47 Ca 0.72 -1.10 -0.05 0.00 0.00 0.00 0.00 51.96 51.54 2ee0 s ALA 47 Cb -0.70 -0.19 0.15 0.00 0.00 0.00 0.00 23.12 22.39 2ee0 s ALA 47 CO 0.47 0.27 0.43 -1.21 0.00 0.00 0.00 175.76 175.72 2ee0 s GLU 48 N -1.72 2.59 -0.07 0.00 2.02 -1.26 -5.00 118.70 115.26 2ee0 s GLU 48 Ca 0.03 -2.31 -0.30 0.00 0.02 0.00 0.00 54.97 52.41 2ee0 s GLU 48 Cb -0.10 -3.82 -0.02 0.00 0.10 0.00 0.00 34.13 30.29 2ee0 s GLU 48 CO 0.03 -1.18 1.06 0.42 0.02 0.00 0.00 175.26 175.61 2ee0 s ILE 49 N 0.34 4.64 -0.14 -1.63 1.01 -1.26 -4.86 121.20 119.30 2ee0 s ILE 49 Ca 0.14 1.91 -0.01 0.00 0.00 0.00 0.00 60.65 62.69 2ee0 s ILE 49 Cb -0.20 -4.23 -0.02 0.00 0.01 0.00 0.00 42.46 38.02 2ee0 s ILE 49 CO -0.04 0.03 -0.10 -0.60 0.00 0.00 0.00 174.94 174.23 2ee0 s ARG 50 N 1.90 3.48 -0.15 2.79 6.06 -1.18 -4.94 118.95 126.91 2ee0 s ARG 50 Ca 0.51 -0.63 -0.07 0.00 -2.50 0.00 0.00 55.73 53.04 2ee0 s ARG 50 Cb -0.21 -2.73 -0.04 0.00 0.06 0.00 0.00 34.95 32.03 2ee0 s ARG 50 CO 0.21 0.23 0.12 0.71 -2.50 0.00 0.00 175.30 174.06 2ee0 s TYR 51 N 0.34 3.47 0.17 5.12 1.51 -1.24 -3.59 117.35 123.11 2ee0 s TYR 51 Ca -0.08 0.39 0.01 0.00 -1.01 0.00 0.00 57.07 56.38 2ee0 s TYR 51 Cb -0.15 -2.00 -0.05 0.00 -0.11 0.00 0.00 41.96 39.65 2ee0 s TYR 51 CO 0.05 0.53 0.02 0.96 -1.11 0.00 0.00 175.55 175.99 2ee0 s ILE 52 N -0.48 0.56 0.24 2.71 -5.25 -1.20 -3.80 121.20 113.99 2ee0 s ILE 52 Ca 0.12 -1.97 -0.30 0.00 -0.99 0.00 0.00 60.65 57.51 2ee0 s ILE 52 Cb -0.12 -2.12 -0.11 0.00 2.95 0.00 0.00 42.46 43.07 2ee0 s ILE 52 CO 0.02 -0.46 1.52 -0.36 -1.79 0.00 0.00 174.94 173.87 2ee0 s PHE 53 N -3.74 2.94 0.01 1.37 0.08 -1.26 -2.12 117.98 115.26 2ee0 s PHE 53 Ca 0.24 0.84 -0.00 0.00 0.12 0.00 0.00 56.93 58.13 2ee0 s PHE 53 Cb 0.06 -3.93 0.00 0.00 -0.57 0.00 0.00 43.02 38.58 2ee0 s PHE 53 CO 0.04 -3.17 0.01 0.41 -0.10 0.00 0.00 175.22 172.40 2ee0 n GLY 54 N 2.56 -2.96 3.90 4.36 0.00 0.16 -4.84 105.19 108.37 2ee0 n GLY 54 Ca 0.09 -0.98 -0.28 0.00 0.00 0.00 0.00 46.02 44.85 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 -2.00 3.55 -1.39 4.61 0.00 -1.26 -4.32 121.76 120.95 2ee0 s ALA 55 Ca 0.00 -0.50 -0.00 0.00 0.00 0.00 0.00 51.96 51.46 2ee0 s ALA 55 Cb -0.00 -2.40 0.00 0.00 0.00 0.00 0.00 23.12 20.72 2ee0 s ALA 55 CO 0.00 0.12 0.48 1.04 0.00 0.00 0.00 175.76 177.40 2ee0 n GLN 56 N -1.18 -3.64 -3.37 0.00 6.02 -1.26 -4.92 117.38 109.03 2ee0 n GLN 56 Ca -0.01 0.45 -0.40 0.00 -0.01 0.00 0.00 57.00 57.03 2ee0 n GLN 56 Cb 0.54 -4.67 -0.09 0.00 1.02 0.00 0.00 30.24 27.04 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 -3.90 5.15 0.49 5.09 1.01 -1.26 -5.05 120.40 121.93 2ee0 s VAL 57 Ca 0.01 0.43 -0.23 0.00 0.00 0.00 0.00 61.98 62.18 2ee0 s VAL 57 Cb -0.00 -3.77 -0.07 0.00 0.00 0.00 0.00 36.38 32.54 2ee0 s VAL 57 CO 0.87 0.05 1.33 0.00 0.00 0.00 0.00 175.10 177.35 2ee0 n ALA 58 N 5.41 1.54 -0.07 5.51 0.00 -1.26 -4.94 120.51 126.69 2ee0 n ALA 58 Ca -0.08 0.19 -0.13 0.00 0.00 0.00 0.00 53.44 53.41 2ee0 n ALA 58 Cb 0.50 -2.33 -0.06 0.00 0.00 0.00 0.00 19.45 17.57 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 1.76 0.53 -0.99 0.00 0.13 -1.99 -3.10 132.00 128.34 2ee0 h PRO 59 Ca -0.50 -0.28 0.26 0.00 -0.87 0.00 0.00 66.00 64.60 2ee0 h PRO 59 Cb 1.30 0.01 -0.13 0.00 0.13 0.00 0.00 31.00 32.31 2ee0 h PRO 59 CO 0.58 0.87 0.56 0.00 -0.23 0.00 0.00 178.00 179.78 2ee0 h ALA 60 N 0.66 1.77 0.30 -0.56 0.00 -2.00 0.16 119.26 119.59 2ee0 h ALA 60 Ca 0.03 0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 2ee0 h ALA 60 Cb 0.77 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.62 2ee0 h ALA 60 CO 0.05 -0.33 -0.14 1.15 0.00 0.00 0.00 179.25 179.98 2ee0 h THR 61 N 0.51 0.67 -0.75 0.00 2.02 -1.93 -3.03 112.91 110.40 2ee0 h THR 61 Ca 0.65 -0.69 0.14 0.00 0.77 0.00 0.00 66.41 67.28 2ee0 h THR 61 Cb 1.28 1.00 -0.05 0.00 -1.74 0.00 0.00 68.15 68.64 2ee0 h THR 61 CO -0.51 0.13 0.50 0.11 0.37 0.00 0.00 175.52 176.12 2ee0 h LYS 62 N -0.81 0.44 0.02 6.66 1.57 -1.21 -0.03 116.57 123.22 2ee0 h LYS 62 Ca -0.04 -0.03 0.01 0.00 -1.87 0.00 0.00 60.65 58.72 2ee0 h LYS 62 Cb 0.51 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.71 2ee0 h LYS 62 CO 0.07 0.29 -0.07 -0.09 -0.57 0.00 0.00 179.45 179.08 2ee0 h ARG 63 N 0.45 -0.13 0.14 3.15 2.43 -0.68 -3.19 114.38 116.56 2ee0 h ARG 63 Ca 0.36 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.54 2ee0 h ARG 63 Cb 0.78 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.36 2ee0 h ARG 63 CO -0.12 -0.09 -0.07 -0.07 -1.51 0.00 0.00 179.97 178.12 2ee0 h LEU 64 N -0.13 -0.16 -9.09 3.80 4.07 -1.21 -3.28 115.31 109.31 2ee0 h LEU 64 Ca 0.02 -0.35 -0.63 0.00 0.08 0.00 0.00 57.88 57.00 2ee0 h LEU 64 Cb 0.16 0.04 -0.16 0.00 1.08 0.00 0.00 40.66 41.77 2ee0 h LEU 64 CO -0.06 0.31 -0.58 -0.36 -1.08 0.00 0.00 178.44 176.67 2ee0 s PHE 65 N -4.13 3.21 0.25 1.13 0.40 -0.11 0.23 117.98 118.97 2ee0 s PHE 65 Ca -0.14 0.04 0.07 0.00 -0.60 0.00 0.00 56.93 56.29 2ee0 s PHE 65 Cb 0.01 -2.02 -0.04 0.00 0.51 0.00 0.00 43.02 41.49 2ee0 s PHE 65 CO 0.58 0.18 0.22 0.00 0.70 0.00 0.00 175.22 176.89 2ee0 s ALA 66 N 0.17 3.63 -0.04 5.36 0.00 -0.36 -4.08 121.76 126.44 2ee0 s ALA 66 Ca 0.03 -1.39 -0.01 0.00 0.00 0.00 0.00 51.96 50.59 2ee0 s ALA 66 Cb -0.13 -1.35 0.03 0.00 0.00 0.00 0.00 23.12 21.67 2ee0 s ALA 66 CO 0.01 0.25 0.02 -1.17 0.00 0.00 0.00 175.76 174.87 2ee0 s LEU 67 N -3.85 0.78 -0.13 0.00 2.96 -1.26 -2.56 118.68 114.63 2ee0 s LEU 67 Ca 0.33 -0.01 -0.15 0.00 -0.22 0.00 0.00 54.13 54.08 2ee0 s LEU 67 Cb -0.08 -0.25 -0.05 0.00 0.50 0.00 0.00 46.19 46.31 2ee0 s LEU 67 CO 0.25 -0.16 0.34 0.20 -1.32 0.00 0.00 176.35 175.67 2ee0 s ASN 68 N 1.52 6.54 0.17 3.68 0.01 -1.17 -4.96 114.94 120.71 2ee0 s ASN 68 Ca -0.03 0.63 0.24 0.00 -0.71 0.00 0.00 52.86 53.00 2ee0 s ASN 68 Cb -0.13 -2.21 0.43 0.00 0.41 0.00 0.00 41.25 39.76 2ee0 s ASN 68 CO -0.03 0.12 1.43 0.78 -1.51 0.00 0.00 177.10 177.89 2ee0 h ASN 69 N 6.37 0.00 0.61 -1.22 4.21 -1.94 0.64 115.58 124.26 2ee0 h ASN 69 Ca -0.43 -0.13 -0.24 0.00 1.21 0.00 0.00 56.30 56.71 2ee0 h ASN 69 Cb 1.18 0.00 -0.04 0.00 -1.12 0.00 0.00 38.32 38.34 2ee0 h ASN 69 CO 0.73 0.07 -1.54 0.74 -1.29 0.00 0.00 177.43 176.14 2ee0 h THR 70 N 0.00 0.76 0.00 2.81 2.02 -1.93 -3.31 112.91 113.27 2ee0 h THR 70 Ca 0.00 -2.47 -0.07 0.00 0.77 0.00 0.00 66.41 64.63 2ee0 h THR 70 Cb 0.78 2.30 -0.01 0.00 -1.74 0.00 0.00 68.15 69.47 2ee0 h THR 70 CO 0.00 0.44 -1.36 0.35 0.37 0.00 0.00 175.52 175.32 2ee0 n THR 71 N -3.01 0.27 -2.09 3.16 -2.24 -1.25 -5.02 114.28 104.11 2ee0 n THR 71 Ca -0.13 -0.21 -0.11 0.00 -2.27 0.00 0.00 64.05 61.32 2ee0 n THR 71 Cb 0.96 -0.48 -0.01 0.00 -2.10 0.00 0.00 70.33 68.70 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 2.50 0.10 3.46 3.38 0.00 0.22 -4.89 105.19 109.97 2ee0 n GLY 72 Ca -0.07 -0.42 -0.33 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 -3.18 2.92 -0.16 0.99 2.96 -1.24 -3.16 118.68 117.80 2ee0 s LEU 73 Ca 0.00 -0.19 -0.11 0.00 -0.22 0.00 0.00 54.13 53.60 2ee0 s LEU 73 Cb 0.00 -1.65 -0.05 0.00 0.50 0.00 0.00 46.19 44.99 2ee0 s LEU 73 CO 0.00 0.25 0.21 -0.63 -1.32 0.00 0.00 176.35 174.85 2ee0 s ILE 74 N -0.13 5.37 0.06 6.68 1.01 -0.91 -3.07 121.20 130.21 2ee0 s ILE 74 Ca 0.00 0.36 -0.00 0.00 0.00 0.00 0.00 60.65 61.01 2ee0 s ILE 74 Cb -0.13 -3.53 -0.04 0.00 0.01 0.00 0.00 42.46 38.76 2ee0 s ILE 74 CO 0.03 0.46 -0.04 0.42 0.00 0.00 0.00 174.94 175.81 2ee0 s THR 75 N 0.11 0.32 -0.58 2.92 -4.23 -1.06 -2.42 115.64 110.70 2ee0 s THR 75 Ca 0.13 -1.80 -0.26 0.00 -1.18 0.00 0.00 61.69 58.58 2ee0 s THR 75 Cb -0.12 -1.51 -0.03 0.00 1.34 0.00 0.00 72.50 72.18 2ee0 s THR 75 CO 0.02 -0.95 1.99 -0.69 -0.54 0.00 0.00 174.62 174.45 2ee0 s VAL 76 N -3.75 3.28 0.01 2.29 1.01 -0.56 -1.22 120.40 121.46 2ee0 s VAL 76 Ca 0.07 0.16 -0.25 0.00 0.00 0.00 0.00 61.98 61.97 2ee0 s VAL 76 Cb 0.07 -3.72 -0.18 0.00 0.00 0.00 0.00 36.38 32.54 2ee0 s VAL 76 CO -0.08 -0.69 1.40 -0.61 0.00 0.00 0.00 175.10 175.12 2ee0 h GLN 77 N 15.98 0.02 -4.54 2.72 4.15 0.26 0.59 115.11 134.29 2ee0 h GLN 77 Ca -0.26 -0.01 -0.21 0.00 0.77 0.00 0.00 58.65 58.95 2ee0 h GLN 77 Cb 1.19 -0.00 -0.15 0.00 0.21 0.00 0.00 27.48 28.73 2ee0 h GLN 77 CO 1.20 0.36 -0.67 1.03 -1.93 0.00 0.00 178.83 178.82 2ee0 s ARG 78 N -4.80 0.90 0.81 1.69 0.52 0.84 -4.65 118.95 114.25 2ee0 s ARG 78 Ca -0.15 -1.40 -0.16 0.00 -0.52 0.00 0.00 55.73 53.50 2ee0 s ARG 78 Cb 0.03 -0.00 -0.07 0.00 0.52 0.00 0.00 34.95 35.43 2ee0 s ARG 78 CO 0.67 -0.14 0.05 0.45 0.02 0.00 0.00 175.30 176.35 2ee0 n SER 79 N -0.09 -3.06 -4.71 0.23 2.88 -1.26 -4.67 113.62 102.95 2ee0 n SER 79 Ca -0.09 0.44 -0.34 0.00 -1.33 0.00 0.00 58.87 57.55 2ee0 n SER 79 Cb 0.62 -1.03 -0.09 0.00 -0.75 0.00 0.00 64.21 62.96 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 2.62 3.64 -0.10 2.46 1.43 -1.24 -4.80 118.68 122.69 2ee0 s LEU 80 Ca 0.56 0.11 0.02 0.00 -1.03 0.00 0.00 54.13 53.79 2ee0 s LEU 80 Cb -0.30 -1.96 0.01 0.00 0.03 0.00 0.00 46.19 43.97 2ee0 s LEU 80 CO 0.68 0.33 -0.17 -0.62 0.23 0.00 0.00 176.35 176.80 2ee0 s ASP 81 N -1.23 2.45 -0.11 2.29 2.15 -1.26 -4.70 116.67 116.26 2ee0 s ASP 81 Ca 0.17 -0.43 -0.13 0.00 0.43 0.00 0.00 52.55 52.58 2ee0 s ASP 81 Cb -0.11 -1.11 -0.27 0.00 -0.30 0.00 0.00 42.92 41.13 2ee0 s ASP 81 CO 0.07 0.06 0.50 0.03 -0.17 0.00 0.00 175.17 175.65 2ee0 h ARG 82 N 7.13 0.26 -1.19 4.34 3.08 -1.95 -3.14 114.38 122.91 2ee0 h ARG 82 Ca -0.28 -0.44 0.34 0.00 0.07 0.00 0.00 59.98 59.67 2ee0 h ARG 82 Cb 1.19 0.16 -0.05 0.00 0.08 0.00 0.00 29.97 31.36 2ee0 h ARG 82 CO 0.48 1.21 1.22 -0.85 -1.07 0.00 0.00 179.97 180.97 2ee0 n GLU 83 N -3.80 0.01 -0.11 0.04 0.28 -1.26 -1.04 120.64 114.76 2ee0 n GLU 83 Ca -0.27 1.00 -0.15 0.00 -0.16 0.00 0.00 57.16 57.57 2ee0 n GLU 83 Cb 0.95 -2.44 -0.05 0.00 1.43 0.00 0.00 31.44 31.32 2ee0 n GLU 83 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 2ee0 n GLU 84 N -3.31 0.55 -3.89 3.44 4.07 -1.25 -5.02 120.64 115.23 2ee0 n GLU 84 Ca 0.27 0.23 -0.15 0.00 -0.06 0.00 0.00 57.16 57.45 2ee0 n GLU 84 Cb 1.58 -1.45 -0.15 0.00 -0.06 0.00 0.00 31.44 31.35 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 -2.78 0.09 -0.15 6.31 -1.32 -0.21 -5.03 115.64 112.55 2ee0 s THR 85 Ca -0.32 0.07 0.17 0.00 -1.21 0.00 0.00 61.69 60.40 2ee0 s THR 85 Cb 0.07 -0.16 -0.25 0.00 -1.51 0.00 0.00 72.50 70.66 2ee0 s THR 85 CO 0.45 0.09 0.28 0.00 -2.21 0.00 0.00 174.62 173.22 2ee0 n ALA 86 N 3.75 1.65 -2.91 11.08 0.00 -1.25 -3.87 120.51 128.97 2ee0 n ALA 86 Ca -0.22 -1.10 -0.31 0.00 0.00 0.00 0.00 53.44 51.81 2ee0 n ALA 86 Cb 0.54 -0.42 -0.17 0.00 0.00 0.00 0.00 19.45 19.40 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 -2.64 1.98 -0.04 0.00 1.01 -1.26 -2.65 121.20 117.60 2ee0 s ILE 87 Ca -0.08 -1.01 0.04 0.00 0.00 0.00 0.00 60.65 59.59 2ee0 s ILE 87 Cb 0.07 -1.69 -0.03 0.00 0.01 0.00 0.00 42.46 40.83 2ee0 s ILE 87 CO 0.83 0.55 -0.14 -1.00 0.00 0.00 0.00 174.94 175.19 2ee0 s HIS 88 N 0.02 2.72 -0.27 3.97 3.76 -1.11 -5.03 115.29 119.35 2ee0 s HIS 88 Ca -0.08 -0.14 0.01 0.00 -0.15 0.00 0.00 55.06 54.69 2ee0 s HIS 88 Cb -0.15 -1.62 0.08 0.00 1.11 0.00 0.00 32.58 32.00 2ee0 s HIS 88 CO 0.05 0.21 0.00 0.15 -0.85 0.00 0.00 174.74 174.30 2ee0 s LYS 89 N -0.82 1.40 -0.09 1.40 -0.14 -1.26 -2.62 119.74 117.61 2ee0 s LYS 89 Ca 0.12 -1.20 0.02 0.00 -1.36 0.00 0.00 55.97 53.55 2ee0 s LYS 89 Cb -0.11 -2.60 -0.02 0.00 -1.68 0.00 0.00 37.83 33.43 2ee0 s LYS 89 CO 0.01 -0.75 -0.14 0.08 -0.76 0.00 0.00 175.35 173.79 2ee0 s VAL 90 N 1.34 3.05 -0.11 3.17 1.01 -1.22 -4.96 120.40 122.68 2ee0 s VAL 90 Ca 0.01 -0.69 0.02 0.00 0.00 0.00 0.00 61.98 61.32 2ee0 s VAL 90 Cb -0.19 -2.24 -0.01 0.00 0.00 0.00 0.00 36.38 33.95 2ee0 s VAL 90 CO -0.10 0.56 -0.18 -0.89 0.00 0.00 0.00 175.10 174.48 2ee0 s THR 91 N -0.18 2.62 -0.04 3.92 2.01 -1.26 -2.82 115.64 119.89 2ee0 s THR 91 Ca -0.00 -0.83 0.06 0.00 0.31 0.00 0.00 61.69 61.24 2ee0 s THR 91 Cb -0.13 -2.05 -0.01 0.00 0.01 0.00 0.00 72.50 70.31 2ee0 s THR 91 CO 0.03 0.55 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.58 2ee0 s VAL 92 N 0.21 1.89 0.17 3.82 1.01 -1.20 0.37 120.40 126.67 2ee0 s VAL 92 Ca -0.11 -0.99 0.04 0.00 0.00 0.00 0.00 61.98 60.92 2ee0 s VAL 92 Cb -0.16 -1.59 -0.04 0.00 0.00 0.00 0.00 36.38 34.60 2ee0 s VAL 92 CO 0.06 0.53 0.22 -0.76 0.00 0.00 0.00 175.10 175.15 2ee0 s LEU 93 N -0.29 4.06 -0.14 3.92 1.43 -0.90 -2.52 118.68 124.24 2ee0 s LEU 93 Ca 0.01 -0.01 -0.02 0.00 -1.03 0.00 0.00 54.13 53.09 2ee0 s LEU 93 Cb -0.12 -2.64 0.05 0.00 0.03 0.00 0.00 46.19 43.51 2ee0 s LEU 93 CO 0.02 0.04 0.02 0.00 0.23 0.00 0.00 176.35 176.66 2ee0 s ALA 94 N -1.81 0.83 -0.09 4.21 0.00 -0.94 -3.27 121.76 120.69 2ee0 s ALA 94 Ca 0.33 -0.42 0.02 0.00 0.00 0.00 0.00 51.96 51.89 2ee0 s ALA 94 Cb -0.10 -0.98 -0.02 0.00 0.00 0.00 0.00 23.12 22.02 2ee0 s ALA 94 CO 0.26 -0.86 -0.16 -1.54 0.00 0.00 0.00 175.76 173.45 2ee0 s SER 95 N 1.93 3.77 -0.13 0.00 1.04 -1.24 -2.38 113.70 116.70 2ee0 s SER 95 Ca 0.02 -0.34 -0.05 0.00 0.48 0.00 0.00 55.95 56.06 2ee0 s SER 95 Cb -0.15 -1.25 -0.06 0.00 0.10 0.00 0.00 66.02 64.66 2ee0 s SER 95 CO -0.07 0.23 -0.15 -0.67 0.98 0.00 0.00 173.24 173.56 2ee0 n ASP 96 N 3.09 1.41 0.00 7.02 2.03 -1.26 -3.10 116.55 125.73 2ee0 n ASP 96 Ca -0.18 0.10 0.00 0.00 0.52 0.00 0.00 54.79 55.24 2ee0 n ASP 96 Cb 0.52 -0.33 0.00 0.00 -0.72 0.00 0.00 41.12 40.59 2ee0 n ASP 96 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2ee0 n GLY 97 N 2.37 4.46 3.85 0.27 0.00 -1.26 -4.67 105.19 110.22 2ee0 n GLY 97 Ca -0.24 -0.63 -0.27 0.00 0.00 0.00 0.00 46.02 44.88 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 -3.03 -3.60 1.61 7.64 -1.26 -4.94 113.62 110.03 2ee0 n SER 98 Ca 0.00 -0.82 -0.05 0.00 1.01 0.00 0.00 58.87 59.00 2ee0 n SER 98 Cb 0.00 -3.83 -0.04 0.00 -1.01 0.00 0.00 64.21 59.34 2ee0 n SER 98 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2ee0 s SER 99 N -3.78 -0.18 0.24 6.43 0.15 -1.26 -4.93 113.70 110.36 2ee0 s SER 99 Ca 0.37 0.13 -0.30 0.00 0.70 0.00 0.00 55.95 56.85 2ee0 s SER 99 Cb -0.19 0.16 -0.09 0.00 -1.71 0.00 0.00 66.02 64.19 2ee0 s SER 99 CO 0.83 -0.21 1.17 0.42 1.20 0.00 0.00 173.24 176.65 2ee0 s THR 100 N -1.58 3.46 0.45 6.45 -4.23 -1.26 -4.75 115.64 114.18 2ee0 s THR 100 Ca 0.06 1.34 -0.23 0.00 -1.18 0.00 0.00 61.69 61.67 2ee0 s THR 100 Cb -0.01 -3.85 -0.07 0.00 1.34 0.00 0.00 72.50 69.91 2ee0 s THR 100 CO -0.04 0.27 1.17 -2.16 -0.54 0.00 0.00 174.62 173.31 2ee0 s PRO 101 N -0.88 3.78 0.43 3.99 0.04 -1.26 -4.88 135.00 136.23 2ee0 s PRO 101 Ca 0.49 1.78 -0.01 0.00 0.04 0.00 0.00 61.00 63.30 2ee0 s PRO 101 Cb -0.33 -2.43 -0.02 0.00 0.04 0.00 0.00 34.50 31.76 2ee0 s PRO 101 CO 0.40 -0.54 0.66 0.00 0.04 0.00 0.00 177.00 177.57 2ee0 s ALA 102 N -1.53 3.63 -0.06 8.56 0.00 -1.00 -4.82 121.76 126.54 2ee0 s ALA 102 Ca 0.63 -0.87 0.03 0.00 0.00 0.00 0.00 51.96 51.75 2ee0 s ALA 102 Cb -0.29 -2.25 0.00 0.00 0.00 0.00 0.00 23.12 20.59 2ee0 s ALA 102 CO 0.35 -0.27 -0.16 -0.98 0.00 0.00 0.00 175.76 174.70 2ee0 s ARG 103 N -4.53 1.97 -0.18 0.00 1.70 -1.26 -2.21 118.95 114.43 2ee0 s ARG 103 Ca 0.45 -0.57 0.01 0.00 -0.47 0.00 0.00 55.73 55.14 2ee0 s ARG 103 Cb -0.10 -1.62 0.03 0.00 -0.57 0.00 0.00 34.95 32.69 2ee0 s ARG 103 CO 0.39 0.14 -0.12 0.00 -1.08 0.00 0.00 175.30 174.63 2ee0 s ALA 104 N 0.34 1.96 -0.27 7.88 0.00 -1.05 -5.01 121.76 125.62 2ee0 s ALA 104 Ca -0.11 -1.08 -0.20 0.00 0.00 0.00 0.00 51.96 50.58 2ee0 s ALA 104 Cb -0.14 -1.18 -0.02 0.00 0.00 0.00 0.00 23.12 21.78 2ee0 s ALA 104 CO 0.04 -0.61 0.60 0.99 0.00 0.00 0.00 175.76 176.78 2ee0 s THR 105 N 1.43 5.00 -0.17 0.00 2.01 -1.26 -3.25 115.64 119.39 2ee0 s THR 105 Ca 0.02 1.00 -0.02 0.00 0.31 0.00 0.00 61.69 63.00 2ee0 s THR 105 Cb -0.15 -3.92 -0.01 0.00 0.01 0.00 0.00 72.50 68.43 2ee0 s THR 105 CO -0.10 0.01 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.08 2ee0 s VAL 106 N 2.47 3.34 -0.30 3.82 1.01 -1.13 -3.92 120.40 125.70 2ee0 s VAL 106 Ca 0.25 -0.53 -0.14 0.00 0.00 0.00 0.00 61.98 61.55 2ee0 s VAL 106 Cb -0.15 -2.46 -0.03 0.00 0.00 0.00 0.00 36.38 33.73 2ee0 s VAL 106 CO 0.09 0.48 0.32 -0.89 0.00 0.00 0.00 175.10 175.10 2ee0 s THR 107 N 0.82 5.21 -0.45 3.92 2.01 -1.04 -3.46 115.64 122.65 2ee0 s THR 107 Ca -0.02 0.27 -0.09 0.00 0.31 0.00 0.00 61.69 62.16 2ee0 s THR 107 Cb -0.15 -3.70 0.10 0.00 0.01 0.00 0.00 72.50 68.77 2ee0 s THR 107 CO 0.01 0.09 0.30 -0.63 -0.69 0.00 0.00 174.62 173.70 2ee0 s ILE 108 N 1.97 4.12 -0.15 1.82 1.01 -1.08 -2.66 121.20 126.23 2ee0 s ILE 108 Ca 0.12 -1.68 -0.24 0.00 0.00 0.00 0.00 60.65 58.84 2ee0 s ILE 108 Cb -0.16 -3.66 -0.02 0.00 0.01 0.00 0.00 42.46 38.63 2ee0 s ILE 108 CO 0.11 -0.67 0.78 0.20 0.00 0.00 0.00 174.94 175.36 2ee0 s ASN 109 N 2.40 6.94 -0.34 3.58 0.01 -0.87 -2.75 114.94 123.92 2ee0 s ASN 109 Ca 0.05 1.15 -0.17 0.00 -0.71 0.00 0.00 52.86 53.17 2ee0 s ASN 109 Cb -0.25 -2.43 -0.01 0.00 0.41 0.00 0.00 41.25 38.97 2ee0 s ASN 109 CO -0.00 -0.32 0.49 -0.69 -1.51 0.00 0.00 177.10 175.07 2ee0 s VAL 110 N 1.80 5.05 0.46 1.60 1.01 -1.08 -1.82 120.40 127.41 2ee0 s VAL 110 Ca 0.37 0.36 0.05 0.00 0.00 0.00 0.00 61.98 62.76 2ee0 s VAL 110 Cb -0.17 -3.92 0.02 0.00 0.00 0.00 0.00 36.38 32.31 2ee0 s VAL 110 CO 0.14 -0.15 0.63 0.42 0.00 0.00 0.00 175.10 176.13 2ee0 s THR 111 N 2.32 3.04 0.73 3.92 -4.23 -0.02 -4.85 115.64 116.55 2ee0 s THR 111 Ca 0.18 -0.87 -0.10 0.00 -1.18 0.00 0.00 61.69 59.72 2ee0 s THR 111 Cb -0.16 -3.06 0.16 0.00 1.34 0.00 0.00 72.50 70.79 2ee0 s THR 111 CO 0.13 -0.03 0.99 0.47 -0.54 0.00 0.00 174.62 175.63 2ee0 n ASP 112 N -2.00 0.34 -3.72 3.99 9.92 -1.26 -0.93 116.55 122.89 2ee0 n ASP 112 Ca 0.07 -1.52 -0.12 0.00 -0.53 0.00 0.00 54.79 52.69 2ee0 n ASP 112 Cb 0.59 -0.73 -0.12 0.00 -0.64 0.00 0.00 41.12 40.22 2ee0 n ASP 112 CO 0.00 0.00 0.00 0.68 0.13 0.00 0.00 177.20 178.01 2ee0 s VAL 113 N -3.07 -0.04 -2.00 2.53 -7.23 -1.26 -4.62 120.40 104.70 2ee0 s VAL 113 Ca 0.58 0.13 0.22 0.00 -1.81 0.00 0.00 61.98 61.11 2ee0 s VAL 113 Cb -0.02 -0.45 0.64 0.00 0.56 0.00 0.00 36.38 37.10 2ee0 s VAL 113 CO 0.40 0.05 1.71 -0.46 -0.31 0.00 0.00 175.10 176.49