#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pab n PRO 11 N 0.00 0.02 -3.65 0.00 -0.04 -1.26 -3.77 135.00 126.29 2pab n PRO 11 Ca 0.00 0.65 -0.15 0.00 -0.04 0.00 0.00 63.50 63.95 2pab n PRO 11 Cb 0.00 -1.77 -0.14 0.00 -0.04 0.00 0.00 33.50 31.55 2pab n PRO 11 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2pab s LEU 12 N -3.73 -0.17 0.22 1.53 2.96 -1.25 -0.28 118.68 117.96 2pab s LEU 12 Ca 0.00 0.41 0.08 0.00 -0.22 0.00 0.00 54.13 54.40 2pab s LEU 12 Cb 0.00 0.46 -0.05 0.00 0.50 0.00 0.00 46.19 47.10 2pab s LEU 12 CO 0.00 -0.25 -0.15 -0.32 -1.32 0.00 0.00 176.35 174.32 2pab s MET 13 N 2.35 1.38 -0.01 1.98 -2.45 0.15 -4.66 119.30 118.04 2pab s MET 13 Ca 0.03 -1.62 -0.01 0.00 -1.25 0.00 0.00 55.69 52.84 2pab s MET 13 Cb -0.12 -1.19 0.00 0.00 1.25 0.00 0.00 34.83 34.77 2pab s MET 13 CO -0.07 0.19 0.02 0.08 1.05 0.00 0.00 175.02 176.30 2pab s VAL 14 N -2.93 0.00 -0.03 10.11 1.01 -1.00 -1.06 120.40 126.51 2pab s VAL 14 Ca 0.24 -0.02 0.01 0.00 0.00 0.00 0.00 61.98 62.21 2pab s VAL 14 Cb -0.01 -0.05 0.02 0.00 0.00 0.00 0.00 36.38 36.34 2pab s VAL 14 CO 0.08 -0.01 -0.04 -0.75 0.00 0.00 0.00 175.10 174.38 2pab s LYS 15 N -0.02 0.69 -0.06 2.72 2.20 0.28 -0.62 119.74 124.93 2pab s LYS 15 Ca -0.00 -0.10 0.03 0.00 -0.36 0.00 0.00 55.97 55.53 2pab s LYS 15 Cb -0.00 -0.71 0.01 0.00 -1.51 0.00 0.00 37.83 35.62 2pab s LYS 15 CO 0.00 -0.04 -0.13 0.08 -0.36 0.00 0.00 175.35 174.90 2pab s VAL 16 N 0.69 1.18 0.25 4.02 1.01 -0.67 -0.30 120.40 126.58 2pab s VAL 16 Ca -0.09 -0.53 0.11 0.00 0.00 0.00 0.00 61.98 61.48 2pab s VAL 16 Cb -0.12 -1.06 -0.05 0.00 0.00 0.00 0.00 36.38 35.16 2pab s VAL 16 CO -0.00 0.36 -0.20 -0.76 0.00 0.00 0.00 175.10 174.50 2pab s LEU 17 N 0.46 2.55 -0.31 3.92 1.43 0.89 -1.10 118.68 126.52 2pab s LEU 17 Ca -0.11 -0.99 -0.06 0.00 -1.03 0.00 0.00 54.13 51.94 2pab s LEU 17 Cb -0.14 -1.06 0.02 0.00 0.03 0.00 0.00 46.19 45.05 2pab s LEU 17 CO 0.03 0.03 0.07 -0.62 0.23 0.00 0.00 176.35 176.10 2pab s ASP 18 N -3.28 5.12 0.34 2.29 3.68 0.03 -0.02 116.67 124.83 2pab s ASP 18 Ca 0.27 -0.90 0.25 0.00 2.13 0.00 0.00 52.55 54.29 2pab s ASP 18 Cb -0.05 -1.85 0.65 0.00 -1.45 0.00 0.00 42.92 40.22 2pab s ASP 18 CO 0.13 -0.24 1.71 0.00 0.13 0.00 0.00 175.17 176.90 2pab h ALA 19 N 8.20 1.00 0.09 3.66 0.00 -1.36 -0.95 119.26 129.90 2pab h ALA 19 Ca -0.28 0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.34 2pab h ALA 19 Cb 1.11 0.00 0.03 0.00 0.00 0.00 0.00 17.79 18.92 2pab h ALA 19 CO 0.60 0.00 -1.20 0.28 0.00 0.00 0.00 179.25 178.93 2pab h VAL 20 N 0.00 1.29 0.00 0.00 2.07 -1.94 -3.38 116.25 114.29 2pab h VAL 20 Ca 0.00 -2.43 0.00 0.00 0.82 0.00 0.00 66.70 65.09 2pab h VAL 20 Cb 0.82 2.62 0.00 0.00 -1.52 0.00 0.00 31.29 33.21 2pab h VAL 20 CO 0.00 0.74 -1.22 0.54 0.02 0.00 0.00 177.57 177.65 2pab n ARG 21 N -3.80 1.08 -2.65 1.57 1.74 -1.22 -5.00 116.66 108.38 2pab n ARG 21 Ca -0.13 -0.07 -0.05 0.00 -0.77 0.00 0.00 57.85 56.83 2pab n ARG 21 Cb 0.96 -1.34 0.02 0.00 -1.02 0.00 0.00 32.46 31.08 2pab n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2pab n GLY 22 N 1.45 0.54 3.27 -0.13 0.00 -0.37 -5.05 105.19 104.90 2pab n GLY 22 Ca 0.00 -0.49 -0.11 0.00 0.00 0.00 0.00 46.02 45.42 2pab n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2pab s SER 23 N -3.03 0.11 0.56 1.61 1.04 -1.15 -5.01 113.70 107.84 2pab s SER 23 Ca 0.12 -1.28 -0.19 0.00 0.48 0.00 0.00 55.95 55.07 2pab s SER 23 Cb -0.05 0.41 -0.05 0.00 0.10 0.00 0.00 66.02 66.43 2pab s SER 23 CO 0.14 -0.89 1.18 -2.84 0.98 0.00 0.00 173.24 171.82 2pab s PRO 24 N -4.12 3.17 -0.73 4.02 0.02 -1.26 -0.79 135.00 135.30 2pab s PRO 24 Ca 0.35 1.76 -0.18 0.00 0.02 0.00 0.00 61.00 62.95 2pab s PRO 24 Cb 0.06 -2.00 0.13 0.00 0.02 0.00 0.00 34.50 32.70 2pab s PRO 24 CO 0.11 -1.03 0.85 0.00 -0.33 0.00 0.00 177.00 176.59 2pab s ALA 25 N -1.64 3.49 0.26 -1.55 0.00 -0.26 -4.67 121.76 117.40 2pab s ALA 25 Ca 0.75 -2.53 -0.12 0.00 0.00 0.00 0.00 51.96 50.05 2pab s ALA 25 Cb -0.28 -3.70 -0.08 0.00 0.00 0.00 0.00 23.12 19.06 2pab s ALA 25 CO 0.31 -2.55 0.63 0.96 0.00 0.00 0.00 175.76 175.12 2pab s ILE 26 N 2.38 4.81 -1.01 0.00 -4.36 -1.26 -4.15 121.20 117.61 2pab s ILE 26 Ca 0.19 0.72 -0.02 0.00 -0.26 0.00 0.00 60.65 61.28 2pab s ILE 26 Cb -0.16 -3.63 0.00 0.00 1.25 0.00 0.00 42.46 39.92 2pab s ILE 26 CO -0.00 -0.09 0.22 0.59 0.24 0.00 0.00 174.94 175.90 2pab n ASN 27 N -0.14 -4.21 -4.77 4.36 5.03 -0.17 -4.95 115.26 110.41 2pab n ASN 27 Ca 0.01 -0.11 -0.37 0.00 0.87 0.00 0.00 54.58 54.99 2pab n ASN 27 Cb 0.53 -3.22 -0.07 0.00 -1.02 0.00 0.00 39.78 36.00 2pab n ASN 27 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 2pab s VAL 28 N -2.81 5.31 0.29 2.41 1.01 -1.26 -4.76 120.40 120.59 2pab s VAL 28 Ca 0.11 0.50 -0.22 0.00 0.00 0.00 0.00 61.98 62.37 2pab s VAL 28 Cb -0.05 -3.59 -0.09 0.00 0.00 0.00 0.00 36.38 32.65 2pab s VAL 28 CO 0.14 0.46 0.84 0.00 0.00 0.00 0.00 175.10 176.54 2pab s ALA 29 N -0.01 3.29 -0.14 5.51 0.00 -1.26 0.05 121.76 129.19 2pab s ALA 29 Ca 0.17 0.34 -0.06 0.00 0.00 0.00 0.00 51.96 52.41 2pab s ALA 29 Cb -0.13 -3.01 0.06 0.00 0.00 0.00 0.00 23.12 20.04 2pab s ALA 29 CO 0.05 0.24 0.30 0.08 0.00 0.00 0.00 175.76 176.43 2pab s VAL 30 N -1.64 -0.33 0.04 0.00 1.01 0.11 -1.94 120.40 117.65 2pab s VAL 30 Ca 0.48 0.22 0.07 0.00 0.00 0.00 0.00 61.98 62.75 2pab s VAL 30 Cb -0.17 -0.48 -0.03 0.00 0.00 0.00 0.00 36.38 35.70 2pab s VAL 30 CO 0.21 0.09 -0.17 -1.00 0.00 0.00 0.00 175.10 174.23 2pab s HIS 31 N 2.10 2.58 -0.17 5.22 3.76 -0.39 -1.33 115.29 127.05 2pab s HIS 31 Ca -0.03 -0.24 0.00 0.00 -0.15 0.00 0.00 55.06 54.65 2pab s HIS 31 Cb -0.11 -1.48 0.01 0.00 1.11 0.00 0.00 32.58 32.11 2pab s HIS 31 CO -0.10 0.26 -0.17 0.08 -0.85 0.00 0.00 174.74 173.96 2pab s VAL 32 N -0.92 2.42 0.14 -0.90 1.01 0.41 -0.77 120.40 121.79 2pab s VAL 32 Ca 0.15 -0.84 0.05 0.00 0.00 0.00 0.00 61.98 61.35 2pab s VAL 32 Cb -0.11 -2.02 -0.04 0.00 0.00 0.00 0.00 36.38 34.21 2pab s VAL 32 CO 0.05 0.52 0.06 -0.36 0.00 0.00 0.00 175.10 175.37 2pab s PHE 33 N 1.10 3.03 -0.17 5.22 0.40 0.40 0.19 117.98 128.15 2pab s PHE 33 Ca 0.00 -0.04 0.01 0.00 -0.60 0.00 0.00 56.93 56.29 2pab s PHE 33 Cb -0.14 -1.49 0.02 0.00 0.51 0.00 0.00 43.02 41.92 2pab s PHE 33 CO -0.06 0.51 -0.17 0.50 0.70 0.00 0.00 175.22 176.70 2pab s ARG 34 N -2.80 2.62 -0.17 0.44 3.52 0.21 -0.77 118.95 122.00 2pab s ARG 34 Ca 0.29 -0.71 -0.29 0.00 -0.13 0.00 0.00 55.73 54.89 2pab s ARG 34 Cb -0.10 -2.35 -0.05 0.00 -1.56 0.00 0.00 34.95 30.88 2pab s ARG 34 CO 0.21 -0.24 2.00 0.21 -0.81 0.00 0.00 175.30 176.67 2pab s LYS 35 N 1.38 3.53 1.26 5.12 2.20 0.13 -0.71 119.74 132.66 2pab s LYS 35 Ca 0.05 2.05 -0.20 0.00 -0.36 0.00 0.00 55.97 57.50 2pab s LYS 35 Cb -0.13 -4.24 0.31 0.00 -1.51 0.00 0.00 37.83 32.26 2pab s LYS 35 CO -0.12 -1.64 1.07 0.00 -0.36 0.00 0.00 175.35 174.30 2pab s ALA 36 N 6.60 0.27 0.29 3.13 0.00 0.67 -4.67 121.76 128.05 2pab s ALA 36 Ca 0.90 -0.91 0.03 0.00 0.00 0.00 0.00 51.96 51.98 2pab s ALA 36 Cb -0.33 -2.90 0.72 0.00 0.00 0.00 0.00 23.12 20.61 2pab s ALA 36 CO 0.35 -3.84 1.69 0.00 0.00 0.00 0.00 175.76 173.96 2pab h ALA 37 N -2.79 1.40 -0.92 0.00 0.00 -1.92 -3.36 119.26 111.66 2pab h ALA 37 Ca -0.45 0.17 -0.55 0.00 0.00 0.00 0.00 54.91 54.08 2pab h ALA 37 Cb 1.30 0.17 -0.27 0.00 0.00 0.00 0.00 17.79 18.99 2pab h ALA 37 CO 0.33 -0.36 0.71 -0.25 0.00 0.00 0.00 179.25 179.68 2pab n ASP 38 N -5.07 5.70 0.00 0.00 9.92 -1.26 -4.92 116.55 120.92 2pab n ASP 38 Ca 0.22 -3.58 0.00 0.00 -0.53 0.00 0.00 54.79 50.90 2pab n ASP 38 Cb 0.65 -0.91 0.00 0.00 -0.64 0.00 0.00 41.12 40.23 2pab n ASP 38 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 2pab n ASP 39 N -0.86 0.00 -4.80 -2.24 2.03 -1.26 -5.03 116.55 104.39 2pab n ASP 39 Ca 0.56 0.00 -0.22 0.00 0.52 0.00 0.00 54.79 55.66 2pab n ASP 39 Cb 1.09 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 41.44 2pab n ASP 39 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 2pab s THR 40 N -2.14 3.69 -0.52 5.18 2.01 -1.26 -5.00 115.64 117.60 2pab s THR 40 Ca 0.00 -1.50 -0.21 0.00 0.31 0.00 0.00 61.69 60.29 2pab s THR 40 Cb 0.00 -3.17 0.05 0.00 0.01 0.00 0.00 72.50 69.39 2pab s THR 40 CO 0.00 -0.25 0.74 0.26 -0.69 0.00 0.00 174.62 174.68 2pab s TRP 41 N -2.28 2.96 0.06 4.92 0.52 -1.26 -0.24 118.94 123.62 2pab s TRP 41 Ca 0.37 -0.33 -0.17 0.00 0.02 0.00 0.00 56.10 55.98 2pab s TRP 41 Cb -0.06 -3.72 -0.06 0.00 -1.15 0.00 0.00 33.47 28.48 2pab s TRP 41 CO 0.25 -1.14 0.51 -1.21 0.02 0.00 0.00 176.95 175.38 2pab s GLU 42 N 3.10 4.08 0.02 4.98 2.02 0.12 -4.85 118.70 128.18 2pab s GLU 42 Ca 0.21 0.60 -0.30 0.00 0.02 0.00 0.00 54.97 55.49 2pab s GLU 42 Cb -0.17 -3.20 -0.07 0.00 0.10 0.00 0.00 34.13 30.79 2pab s GLU 42 CO 0.15 0.64 1.63 -1.25 0.02 0.00 0.00 175.26 176.45 2pab s PRO 43 N -1.19 4.20 -0.15 0.39 0.05 -1.26 0.65 135.00 137.68 2pab s PRO 43 Ca 0.28 2.26 -0.00 0.00 0.05 0.00 0.00 61.00 63.59 2pab s PRO 43 Cb -0.18 -3.73 -0.10 0.00 0.05 0.00 0.00 34.50 30.55 2pab s PRO 43 CO 0.17 -0.75 -0.14 0.34 0.05 0.00 0.00 177.00 176.66 2pab n PHE 44 N 6.08 0.00 -3.49 0.56 7.35 0.50 -4.80 117.46 123.66 2pab n PHE 44 Ca 0.16 0.00 -0.12 0.00 -0.76 0.00 0.00 57.45 56.73 2pab n PHE 44 Cb 0.42 -0.58 -0.03 0.00 0.35 0.00 0.00 39.48 39.63 2pab n PHE 44 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2pab s ALA 45 N -2.30 -1.74 0.09 3.13 0.00 -0.43 -4.98 121.76 115.53 2pab s ALA 45 Ca -0.21 0.96 -0.10 0.00 0.00 0.00 0.00 51.96 52.62 2pab s ALA 45 Cb 0.06 0.36 0.00 0.00 0.00 0.00 0.00 23.12 23.54 2pab s ALA 45 CO 0.34 -0.60 0.21 -1.12 0.00 0.00 0.00 175.76 174.59 2pab s SER 46 N -2.13 0.08 -0.02 0.00 0.01 -1.26 0.16 113.70 110.54 2pab s SER 46 Ca -0.01 -0.60 -0.29 0.00 1.31 0.00 0.00 55.95 56.35 2pab s SER 46 Cb -0.01 0.35 0.11 0.00 0.21 0.00 0.00 66.02 66.69 2pab s SER 46 CO -0.05 -0.74 1.29 -0.83 0.41 0.00 0.00 173.24 173.33 2pab s GLY 47 N -2.83 -0.28 -0.06 3.44 0.00 -0.44 -4.91 107.32 102.23 2pab s GLY 47 Ca 0.04 0.40 0.04 0.00 0.00 0.00 0.00 44.72 45.21 2pab s GLY 47 CO -0.11 2.58 -0.20 0.54 0.00 0.00 0.00 173.10 175.91 2pab s LYS 48 N -2.21 2.25 0.60 2.90 1.02 -1.26 -0.71 119.74 122.34 2pab s LYS 48 Ca 0.21 -0.72 -0.19 0.00 0.02 0.00 0.00 55.97 55.29 2pab s LYS 48 Cb 0.03 -1.86 -0.03 0.00 -0.52 0.00 0.00 37.83 35.45 2pab s LYS 48 CO -0.02 0.24 1.27 0.95 -0.92 0.00 0.00 175.35 176.86 2pab s THR 49 N 0.12 2.31 0.25 2.17 -4.23 0.11 -4.80 115.64 111.56 2pab s THR 49 Ca -0.08 0.20 -0.02 0.00 -1.18 0.00 0.00 61.69 60.61 2pab s THR 49 Cb -0.14 -3.08 0.05 0.00 1.34 0.00 0.00 72.50 70.67 2pab s THR 49 CO 0.04 -0.04 0.34 -1.54 -0.54 0.00 0.00 174.62 172.88 2pab n SER 50 N -1.60 0.27 -0.05 3.99 3.41 -0.41 -1.00 113.62 118.22 2pab n SER 50 Ca 0.14 -1.27 0.04 0.00 -0.26 0.00 0.00 58.87 57.53 2pab n SER 50 Cb 0.48 -0.24 0.40 0.00 -0.26 0.00 0.00 64.21 64.60 2pab n SER 50 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2pab h GLU 51 N 0.00 0.60 0.00 4.33 3.07 -1.95 0.16 114.58 120.80 2pab h GLU 51 Ca -0.11 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.71 2pab h GLU 51 Cb 0.36 -0.14 0.00 0.00 -0.84 0.00 0.00 28.75 28.14 2pab h GLU 51 CO 0.10 0.40 0.00 0.45 -1.40 0.00 0.00 179.01 178.56 2pab n SER 52 N -4.47 0.00 -0.39 1.42 2.88 -1.26 -4.79 113.62 107.01 2pab n SER 52 Ca 0.05 -0.38 -0.05 0.00 -1.33 0.00 0.00 58.87 57.16 2pab n SER 52 Cb 0.10 -0.20 -0.02 0.00 -0.75 0.00 0.00 64.21 63.33 2pab n SER 52 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2pab n GLY 53 N 1.19 0.63 3.60 0.46 0.00 0.58 -4.78 105.19 106.86 2pab n GLY 53 Ca 0.17 -0.82 -0.25 0.00 0.00 0.00 0.00 46.02 45.11 2pab n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2pab s GLU 54 N -2.76 2.16 -0.23 1.61 2.02 -1.26 -1.67 118.70 118.57 2pab s GLU 54 Ca 0.00 -1.34 -0.02 0.00 0.02 0.00 0.00 54.97 53.63 2pab s GLU 54 Cb 0.00 -2.16 0.07 0.00 0.10 0.00 0.00 34.13 32.14 2pab s GLU 54 CO 0.00 0.40 0.05 -1.17 0.02 0.00 0.00 175.26 174.56 2pab s LEU 55 N -3.21 1.50 -0.25 1.80 0.20 0.21 -1.29 118.68 117.65 2pab s LEU 55 Ca 0.28 -1.06 -0.01 0.00 0.69 0.00 0.00 54.13 54.03 2pab s LEU 55 Cb -0.08 -0.69 -0.15 0.00 -0.43 0.00 0.00 46.19 44.84 2pab s LEU 55 CO 0.17 -0.33 -0.25 1.41 -0.29 0.00 0.00 176.35 177.06 2pab n HIS 56 N 4.98 0.00 0.06 5.38 8.25 -1.26 -2.36 115.22 130.27 2pab n HIS 56 Ca -0.07 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.39 2pab n HIS 56 Cb 0.45 -0.96 0.03 0.00 1.12 0.00 0.00 29.99 30.63 2pab n HIS 56 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2pab n GLY 57 N 2.10 -0.13 0.00 -1.41 0.00 -1.26 -4.59 105.19 99.90 2pab n GLY 57 Ca -0.46 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.55 2pab n GLY 57 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2pab n LEU 58 N -1.10 0.00 0.00 0.99 4.77 -1.26 -4.93 117.00 115.47 2pab n LEU 58 Ca 0.01 0.18 -0.16 0.00 -0.03 0.00 0.00 56.01 56.01 2pab n LEU 58 Cb 0.00 -0.01 -0.06 0.00 -2.33 0.00 0.00 43.42 41.02 2pab n LEU 58 CO 0.01 -0.01 -0.08 1.07 -1.33 0.00 0.00 177.39 177.05 2pab n THR 59 N -0.74 0.00 -4.55 -5.08 5.66 -1.26 -4.83 114.28 103.48 2pab n THR 59 Ca 0.00 -1.99 -0.26 0.00 -3.05 0.00 0.00 64.05 58.76 2pab n THR 59 Cb 0.00 0.98 -0.11 0.00 -1.55 0.00 0.00 70.33 69.65 2pab n THR 59 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 175.07 172.30 2pab s THR 60 N -3.09 2.01 0.16 1.09 -1.32 -1.26 -4.72 115.64 108.52 2pab s THR 60 Ca 0.32 -2.11 -0.11 0.00 -1.21 0.00 0.00 61.69 58.57 2pab s THR 60 Cb 0.02 -2.75 0.18 0.00 -1.51 0.00 0.00 72.50 68.44 2pab s THR 60 CO 0.22 -0.14 1.06 -0.62 -2.21 0.00 0.00 174.62 172.94 2pab n GLU 61 N -0.82 -0.15 -2.88 7.08 1.02 -1.26 -1.65 120.64 121.99 2pab n GLU 61 Ca -0.05 1.06 -0.12 0.00 -0.02 0.00 0.00 57.16 58.03 2pab n GLU 61 Cb 0.65 -1.57 0.04 0.00 -0.02 0.00 0.00 31.44 30.54 2pab n GLU 61 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2pab n GLU 62 N -5.02 1.05 -0.07 3.49 4.71 -1.26 -4.33 120.64 119.22 2pab n GLU 62 Ca 0.07 -2.69 -0.07 0.00 -0.01 0.00 0.00 57.16 54.46 2pab n GLU 62 Cb 0.28 -1.16 -0.10 0.00 -1.01 0.00 0.00 31.44 29.45 2pab n GLU 62 CO 0.00 0.00 0.00 0.94 0.09 0.00 0.00 177.13 178.16 2pab n GLN 63 N 0.10 1.63 -2.88 3.49 7.27 -1.09 -4.81 117.38 121.09 2pab n GLN 63 Ca 0.12 0.01 -0.42 0.00 0.07 0.00 0.00 57.00 56.78 2pab n GLN 63 Cb 0.73 -1.34 -0.04 0.00 2.41 0.00 0.00 30.24 32.00 2pab n GLN 63 CO 0.00 0.00 0.00 0.12 0.07 0.00 0.00 177.06 177.25 2pab s PHE 64 N -2.33 3.26 0.08 3.69 2.19 -0.66 -4.96 117.98 119.26 2pab s PHE 64 Ca -0.09 1.04 0.02 0.00 0.33 0.00 0.00 56.93 58.22 2pab s PHE 64 Cb 0.04 -3.18 -0.01 0.00 -1.31 0.00 0.00 43.02 38.57 2pab s PHE 64 CO 0.53 -0.50 0.06 1.33 1.83 0.00 0.00 175.22 178.47 2pab n VAL 65 N 5.42 0.00 -3.19 3.12 0.24 -1.26 -4.86 118.33 117.80 2pab n VAL 65 Ca 0.06 -0.57 -0.30 0.00 -2.04 0.00 0.00 64.34 61.49 2pab n VAL 65 Cb 0.48 0.26 -0.04 0.00 -1.47 0.00 0.00 33.84 33.07 2pab n VAL 65 CO 0.00 0.00 0.00 -1.83 -2.14 0.00 0.00 176.83 172.86 2pab s GLU 66 N -2.33 3.72 0.00 7.34 -1.05 -1.26 -4.90 118.70 120.22 2pab s GLU 66 Ca 0.08 0.23 0.00 0.00 -0.15 0.00 0.00 54.97 55.13 2pab s GLU 66 Cb 0.00 -2.56 0.00 0.00 -0.44 0.00 0.00 34.13 31.14 2pab s GLU 66 CO 0.06 0.15 0.00 0.41 0.95 0.00 0.00 175.26 176.82 2pab n GLY 67 N -0.90 -2.09 3.74 -3.83 0.00 -1.17 -4.98 105.19 95.97 2pab n GLY 67 Ca 0.00 -1.19 -0.37 0.00 0.00 0.00 0.00 46.02 44.46 2pab n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2pab s ILE 68 N -2.20 5.20 0.32 -0.61 -1.09 -1.26 -0.75 121.20 120.82 2pab s ILE 68 Ca 0.00 0.84 0.09 0.00 -2.23 0.00 0.00 60.65 59.35 2pab s ILE 68 Cb 0.00 -3.76 -0.06 0.00 -1.58 0.00 0.00 42.46 37.06 2pab s ILE 68 CO 0.00 0.37 -0.10 -0.31 -1.23 0.00 0.00 174.94 173.67 2pab s TYR 69 N 0.41 2.31 -0.02 3.97 1.51 0.11 0.19 117.35 125.83 2pab s TYR 69 Ca 0.23 -0.51 -0.00 0.00 -1.01 0.00 0.00 57.07 55.78 2pab s TYR 69 Cb -0.15 -1.28 0.03 0.00 -0.11 0.00 0.00 41.96 40.45 2pab s TYR 69 CO 0.09 0.55 0.04 0.21 -1.11 0.00 0.00 175.55 175.33 2pab s LYS 70 N -3.62 -0.03 -0.27 -0.62 2.20 0.05 -1.77 119.74 115.68 2pab s LYS 70 Ca 0.32 0.21 -0.02 0.00 -0.36 0.00 0.00 55.97 56.11 2pab s LYS 70 Cb 0.02 -0.24 0.04 0.00 -1.51 0.00 0.00 37.83 36.13 2pab s LYS 70 CO 0.15 -0.17 -0.03 0.08 -0.36 0.00 0.00 175.35 175.03 2pab s VAL 71 N 1.09 2.97 -0.34 4.02 1.01 0.38 -0.45 120.40 129.07 2pab s VAL 71 Ca -0.09 -1.18 -0.15 0.00 0.00 0.00 0.00 61.98 60.56 2pab s VAL 71 Cb -0.13 -2.60 -0.01 0.00 0.00 0.00 0.00 36.38 33.64 2pab s VAL 71 CO -0.03 0.05 0.33 -0.70 0.00 0.00 0.00 175.10 174.75 2pab s GLU 72 N 1.30 3.55 -0.26 2.72 2.12 0.05 -0.77 118.70 127.41 2pab s GLU 72 Ca -0.02 -0.47 -0.07 0.00 0.36 0.00 0.00 54.97 54.77 2pab s GLU 72 Cb -0.18 -3.80 -0.02 0.00 0.26 0.00 0.00 34.13 30.39 2pab s GLU 72 CO -0.03 -0.50 0.06 0.42 -0.54 0.00 0.00 175.26 174.67 2pab s ILE 73 N 1.94 4.07 -1.23 -3.70 1.01 0.19 -1.26 121.20 122.22 2pab s ILE 73 Ca 0.10 -0.36 -0.18 0.00 0.00 0.00 0.00 60.65 60.21 2pab s ILE 73 Cb -0.17 -2.95 -0.01 0.00 0.01 0.00 0.00 42.46 39.34 2pab s ILE 73 CO 0.11 0.28 1.95 -0.67 0.00 0.00 0.00 174.94 176.62 2pab n ASP 74 N 4.89 3.84 0.12 3.58 2.03 -0.82 -0.95 116.55 129.24 2pab n ASP 74 Ca -0.16 -2.81 -0.02 0.00 0.52 0.00 0.00 54.79 52.31 2pab n ASP 74 Cb 0.50 -1.61 0.17 0.00 -0.72 0.00 0.00 41.12 39.47 2pab n ASP 74 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 2pab h THR 75 N 5.01 1.40 -0.35 5.18 1.35 -1.88 -3.07 112.91 120.55 2pab h THR 75 Ca 0.44 -1.95 0.06 0.00 -0.55 0.00 0.00 66.41 64.41 2pab h THR 75 Cb 0.78 2.02 -0.06 0.00 -1.73 0.00 0.00 68.15 69.16 2pab h THR 75 CO 1.64 0.57 0.00 0.50 -0.25 0.00 0.00 175.52 177.97 2pab h LYS 76 N 0.08 0.10 -0.52 4.72 3.64 -1.74 -1.79 116.57 121.05 2pab h LYS 76 Ca -0.00 -0.01 -0.11 0.00 -1.27 0.00 0.00 60.65 59.26 2pab h LYS 76 Cb 1.04 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.82 2pab h LYS 76 CO 0.08 0.06 -0.08 0.77 -2.27 0.00 0.00 179.45 178.01 2pab h SER 77 N 0.10 0.98 -0.05 4.20 0.02 -1.87 -2.06 113.55 114.87 2pab h SER 77 Ca 0.17 -0.34 0.02 0.00 -0.84 0.00 0.00 61.79 60.80 2pab h SER 77 Cb 0.23 -0.27 -0.06 0.00 0.14 0.00 0.00 62.40 62.45 2pab h SER 77 CO -0.28 1.09 -0.53 0.22 -1.14 0.00 0.00 176.83 176.19 2pab h TYR 78 N 0.84 -1.58 0.14 3.45 3.20 -1.38 -2.13 116.97 119.51 2pab h TYR 78 Ca 0.14 0.05 -0.01 0.00 3.14 0.00 0.00 58.73 62.05 2pab h TYR 78 Cb 0.64 0.69 0.00 0.00 1.54 0.00 0.00 36.73 39.61 2pab h TYR 78 CO 0.05 -0.56 -0.07 -1.49 -1.64 0.00 0.00 178.16 174.45 2pab h TRP 79 N -0.64 -0.17 -0.60 -3.82 4.06 -1.25 -3.06 115.95 110.48 2pab h TRP 79 Ca 0.02 -0.00 0.09 0.00 2.06 0.00 0.00 58.89 61.05 2pab h TRP 79 Cb 0.70 0.06 -0.04 0.00 -1.00 0.00 0.00 29.16 28.88 2pab h TRP 79 CO -0.54 -0.07 0.40 0.87 -3.56 0.00 0.00 178.44 175.53 2pab h LYS 80 N -0.22 0.45 -0.99 0.49 1.57 -1.34 0.65 116.57 117.17 2pab h LYS 80 Ca -0.02 -0.03 0.15 0.00 -1.87 0.00 0.00 60.65 58.89 2pab h LYS 80 Cb 0.17 -0.10 -0.09 0.00 0.08 0.00 0.00 32.23 32.29 2pab h LYS 80 CO 0.03 0.29 0.62 0.00 -0.57 0.00 0.00 179.45 179.83 2pab h ALA 81 N 1.69 1.63 0.39 3.86 0.00 -1.28 -2.37 119.26 123.18 2pab h ALA 81 Ca 0.27 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.21 2pab h ALA 81 Cb 0.46 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.11 2pab h ALA 81 CO -0.08 0.07 -0.19 1.25 0.00 0.00 0.00 179.25 180.31 2pab h LEU 82 N 0.86 -0.44 0.00 0.00 7.12 -0.94 -3.47 115.31 118.45 2pab h LEU 82 Ca 0.52 -0.13 0.00 0.00 0.13 0.00 0.00 57.88 58.41 2pab h LEU 82 Cb 0.69 0.11 0.00 0.00 -0.53 0.00 0.00 40.66 40.93 2pab h LEU 82 CO -0.30 -0.02 0.00 0.61 -0.13 0.00 0.00 178.44 178.59 2pab n GLY 83 N -0.08 0.80 3.89 3.75 0.00 -0.81 -5.13 105.19 107.61 2pab n GLY 83 Ca -0.09 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.58 2pab n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2pab s ILE 84 N -0.80 5.46 -0.43 -0.61 1.01 -0.71 -5.00 121.20 120.11 2pab s ILE 84 Ca 0.00 0.02 -0.23 0.00 0.00 0.00 0.00 60.65 60.44 2pab s ILE 84 Cb 0.00 -3.49 0.02 0.00 0.01 0.00 0.00 42.46 39.01 2pab s ILE 84 CO 0.00 0.45 0.76 -0.44 0.00 0.00 0.00 174.94 175.71 2pab s SER 85 N -1.55 6.42 0.53 3.58 0.01 -1.26 -3.52 113.70 117.91 2pab s SER 85 Ca 0.22 -0.05 0.03 0.00 1.31 0.00 0.00 55.95 57.46 2pab s SER 85 Cb -0.12 -2.38 0.04 0.00 0.21 0.00 0.00 66.02 63.76 2pab s SER 85 CO 0.12 -0.86 0.73 -2.16 0.41 0.00 0.00 173.24 171.49 2pab s PRO 86 N 3.19 2.55 -0.17 12.44 0.04 -1.26 -4.85 135.00 146.94 2pab s PRO 86 Ca 0.29 -0.98 -0.02 0.00 0.04 0.00 0.00 61.00 60.33 2pab s PRO 86 Cb -0.13 -2.56 -0.10 0.00 0.04 0.00 0.00 34.50 31.76 2pab s PRO 86 CO 0.21 -0.65 -0.18 0.34 0.04 0.00 0.00 177.00 176.77 2pab n PHE 87 N -2.23 0.00 -3.04 0.56 -0.00 -0.57 -5.01 117.46 107.17 2pab n PHE 87 Ca 0.09 0.00 -0.33 0.00 -0.00 0.00 0.00 57.45 57.21 2pab n PHE 87 Cb 0.60 -0.64 -0.06 0.00 -0.00 0.00 0.00 39.48 39.37 2pab n PHE 87 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.76 175.75 2pab s HIS 88 N -2.33 3.36 0.18 -5.13 0.09 -1.26 -4.97 115.29 105.23 2pab s HIS 88 Ca -0.23 1.34 0.00 0.00 -0.00 0.00 0.00 55.06 56.17 2pab s HIS 88 Cb 0.07 -2.63 0.07 0.00 -0.00 0.00 0.00 32.58 30.09 2pab s HIS 88 CO 0.36 0.04 1.44 0.93 -0.00 0.00 0.00 174.74 177.51 2pab h GLU 89 N 2.18 0.32 -2.31 1.40 4.39 -1.97 -3.38 114.58 115.21 2pab h GLU 89 Ca -0.48 -0.28 0.19 0.00 0.34 0.00 0.00 59.36 59.13 2pab h GLU 89 Cb 1.18 0.06 -0.07 0.00 -0.10 0.00 0.00 28.75 29.82 2pab h GLU 89 CO 0.64 0.93 0.53 -3.38 -1.16 0.00 0.00 179.01 176.58 2pab s HIS 90 N -3.52 -0.07 -0.20 4.33 -3.43 -1.26 -3.66 115.29 107.48 2pab s HIS 90 Ca -0.05 -0.24 -0.05 0.00 -0.80 0.00 0.00 55.06 53.92 2pab s HIS 90 Cb 0.11 0.65 -0.03 0.00 -1.43 0.00 0.00 32.58 31.88 2pab s HIS 90 CO 0.83 -0.81 0.01 0.00 -2.00 0.00 0.00 174.74 172.76 2pab s ALA 91 N -2.95 3.07 -0.01 -1.38 0.00 -0.12 -4.88 121.76 115.49 2pab s ALA 91 Ca 0.15 -0.96 0.08 0.00 0.00 0.00 0.00 51.96 51.23 2pab s ALA 91 Cb -0.01 -1.78 -0.02 0.00 0.00 0.00 0.00 23.12 21.30 2pab s ALA 91 CO 0.03 -0.10 -0.26 -2.00 0.00 0.00 0.00 175.76 173.42 2pab s GLU 92 N 0.92 2.06 -0.17 0.00 -6.30 -1.26 0.55 118.70 114.50 2pab s GLU 92 Ca 0.01 -0.96 -0.02 0.00 -2.50 0.00 0.00 54.97 51.50 2pab s GLU 92 Cb -0.14 -2.03 0.05 0.00 0.00 0.00 0.00 34.13 32.01 2pab s GLU 92 CO 0.02 0.55 0.01 0.08 0.02 0.00 0.00 175.26 175.94 2pab s VAL 93 N -0.64 0.64 -0.20 3.70 1.01 0.05 -4.97 120.40 119.99 2pab s VAL 93 Ca 0.10 -0.46 -0.02 0.00 0.00 0.00 0.00 61.98 61.61 2pab s VAL 93 Cb -0.10 -1.01 0.00 0.00 0.00 0.00 0.00 36.38 35.27 2pab s VAL 93 CO -0.00 -0.05 -0.11 -0.69 0.00 0.00 0.00 175.10 174.25 2pab s VAL 94 N 1.82 2.88 0.11 2.92 1.01 -1.26 -0.47 120.40 127.41 2pab s VAL 94 Ca 0.00 -0.67 0.03 0.00 0.00 0.00 0.00 61.98 61.34 2pab s VAL 94 Cb -0.16 -2.27 -0.04 0.00 0.00 0.00 0.00 36.38 33.91 2pab s VAL 94 CO -0.07 0.47 -0.08 0.72 0.00 0.00 0.00 175.10 176.14 2pab s PHE 95 N 1.32 1.01 -0.20 5.22 -0.71 -0.73 -4.99 117.98 118.90 2pab s PHE 95 Ca 0.04 -0.84 -0.11 0.00 -1.04 0.00 0.00 56.93 54.97 2pab s PHE 95 Cb -0.14 -0.56 -0.05 0.00 -1.21 0.00 0.00 43.02 41.07 2pab s PHE 95 CO -0.06 -0.07 0.20 0.99 -1.34 0.00 0.00 175.22 174.94 2pab s THR 96 N -3.42 5.35 -0.28 -4.49 2.01 -1.26 0.07 115.64 113.63 2pab s THR 96 Ca 0.13 0.31 -0.10 0.00 0.31 0.00 0.00 61.69 62.34 2pab s THR 96 Cb 0.04 -3.54 -0.03 0.00 0.01 0.00 0.00 72.50 68.98 2pab s THR 96 CO -0.03 0.38 0.15 0.00 -0.69 0.00 0.00 174.62 174.43 2pab s ALA 97 N 0.69 3.37 0.00 7.40 0.00 0.08 -4.95 121.76 128.34 2pab s ALA 97 Ca 0.11 -1.18 0.00 0.00 0.00 0.00 0.00 51.96 50.89 2pab s ALA 97 Cb -0.13 -2.35 0.00 0.00 0.00 0.00 0.00 23.12 20.65 2pab s ALA 97 CO 0.02 -0.62 0.00 0.27 0.00 0.00 0.00 175.76 175.43 2pab n ASN 98 N 5.01 0.00 0.00 0.00 2.04 -1.26 -3.06 115.26 117.99 2pab n ASN 98 Ca -0.15 0.00 0.00 0.00 -0.44 0.00 0.00 54.58 53.99 2pab n ASN 98 Cb 0.51 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.76 2pab n ASN 98 CO 0.00 0.00 0.00 0.47 -0.44 0.00 0.00 177.26 177.29 2pab n ASP 99 N 0.00 0.00 -2.69 0.53 9.92 -1.26 -4.97 116.55 118.08 2pab n ASP 99 Ca 0.00 0.00 -0.04 0.00 -0.53 0.00 0.00 54.79 54.22 2pab n ASP 99 Cb 0.00 -0.01 0.05 0.00 -0.64 0.00 0.00 41.12 40.51 2pab n ASP 99 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 2pab n SER 100 N -1.61 -1.85 0.00 -2.24 2.88 -1.26 -5.17 113.62 104.38 2pab n SER 100 Ca 0.00 -1.73 0.00 0.00 -1.33 0.00 0.00 58.87 55.81 2pab n SER 100 Cb 0.00 0.99 0.00 0.00 -0.75 0.00 0.00 64.21 64.45 2pab n SER 100 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2pab n GLY 101 N 2.21 2.15 3.64 0.46 0.00 -1.26 -5.01 105.19 107.37 2pab n GLY 101 Ca 0.09 -0.75 -0.39 0.00 0.00 0.00 0.00 46.02 44.97 2pab n GLY 101 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2pab s PRO 102 N -2.00 4.10 0.00 1.61 0.04 -1.26 -4.70 135.00 132.79 2pab s PRO 102 Ca 0.00 0.14 0.00 0.00 0.04 0.00 0.00 61.00 61.18 2pab s PRO 102 Cb 0.00 -3.60 0.00 0.00 0.04 0.00 0.00 34.50 30.94 2pab s PRO 102 CO 0.00 -0.16 0.00 2.89 0.04 0.00 0.00 177.00 179.77 2pab n ARG 103 N 4.92 3.88 -3.60 4.56 0.00 -1.26 -5.03 116.66 120.13 2pab n ARG 103 Ca -0.08 0.00 -0.04 0.00 -0.00 0.00 0.00 57.85 57.73 2pab n ARG 103 Cb 0.51 0.00 -0.06 0.00 -0.00 0.00 0.00 32.46 32.91 2pab n ARG 103 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 2pab s ARG 104 N 3.27 0.47 -0.13 2.89 0.52 -0.81 -4.84 118.95 120.32 2pab s ARG 104 Ca 0.00 1.22 0.01 0.00 -0.52 0.00 0.00 55.73 56.43 2pab s ARG 104 Cb 0.00 0.58 -0.01 0.00 0.52 0.00 0.00 34.95 36.04 2pab s ARG 104 CO 0.00 -0.27 -0.16 0.71 0.02 0.00 0.00 175.30 175.60 2pab s TYR 105 N 2.77 2.76 -0.20 -0.53 2.02 0.62 -1.90 117.35 122.89 2pab s TYR 105 Ca -0.02 -0.81 0.01 0.00 -0.37 0.00 0.00 57.07 55.89 2pab s TYR 105 Cb -0.12 -1.83 0.04 0.00 -0.40 0.00 0.00 41.96 39.65 2pab s TYR 105 CO -0.17 -0.31 -0.10 0.99 -1.57 0.00 0.00 175.55 174.40 2pab s THR 106 N 0.46 1.64 -0.23 -0.71 2.01 -0.91 0.30 115.64 118.20 2pab s THR 106 Ca -0.11 -1.04 -0.09 0.00 0.31 0.00 0.00 61.69 60.76 2pab s THR 106 Cb -0.16 -1.73 -0.04 0.00 0.01 0.00 0.00 72.50 70.57 2pab s THR 106 CO 0.05 0.14 0.12 -0.63 -0.69 0.00 0.00 174.62 173.61 2pab s ILE 107 N 1.39 5.04 0.06 1.82 1.01 -0.22 -1.19 121.20 129.11 2pab s ILE 107 Ca -0.02 0.07 0.06 0.00 0.00 0.00 0.00 60.65 60.76 2pab s ILE 107 Cb -0.16 -3.33 -0.04 0.00 0.01 0.00 0.00 42.46 38.94 2pab s ILE 107 CO -0.08 0.37 -0.09 0.00 0.00 0.00 0.00 174.94 175.15 2pab s ALA 108 N 0.96 2.96 -0.02 9.38 0.00 0.07 -0.56 121.76 134.56 2pab s ALA 108 Ca 0.06 -1.15 -0.00 0.00 0.00 0.00 0.00 51.96 50.87 2pab s ALA 108 Cb -0.13 -0.98 0.03 0.00 0.00 0.00 0.00 23.12 22.03 2pab s ALA 108 CO 0.03 0.63 0.04 0.00 0.00 0.00 0.00 175.76 176.46 2pab s ALA 109 N -1.12 0.03 -0.28 0.00 0.00 0.59 -1.08 121.76 119.91 2pab s ALA 109 Ca 0.20 0.31 -0.04 0.00 0.00 0.00 0.00 51.96 52.42 2pab s ALA 109 Cb -0.11 -0.24 0.03 0.00 0.00 0.00 0.00 23.12 22.80 2pab s ALA 109 CO 0.11 -0.10 0.01 -1.17 0.00 0.00 0.00 175.76 174.62 2pab s LEU 110 N 0.94 3.68 -0.16 0.00 2.96 -0.21 -0.08 118.68 125.81 2pab s LEU 110 Ca -0.08 -0.94 -0.11 0.00 -0.22 0.00 0.00 54.13 52.78 2pab s LEU 110 Cb -0.11 -1.76 -0.05 0.00 0.50 0.00 0.00 46.19 44.77 2pab s LEU 110 CO -0.03 -0.20 0.20 -0.76 -1.32 0.00 0.00 176.35 174.24 2pab s LEU 111 N 1.37 4.27 0.18 -0.68 1.43 0.98 -2.06 118.68 124.17 2pab s LEU 111 Ca -0.01 0.41 0.06 0.00 -1.03 0.00 0.00 54.13 53.56 2pab s LEU 111 Cb -0.18 -2.21 -0.05 0.00 0.03 0.00 0.00 46.19 43.79 2pab s LEU 111 CO -0.01 0.20 -0.11 -0.44 0.23 0.00 0.00 176.35 176.23 2pab s SER 112 N 0.06 2.12 0.23 2.29 0.01 0.58 -0.99 113.70 118.00 2pab s SER 112 Ca 0.13 -1.04 -0.07 0.00 1.31 0.00 0.00 55.95 56.27 2pab s SER 112 Cb -0.12 -0.06 0.20 0.00 0.21 0.00 0.00 66.02 66.25 2pab s SER 112 CO 0.02 -0.29 1.87 -0.65 0.41 0.00 0.00 173.24 174.60 2pab h PRO 113 N 2.65 1.22 -0.18 12.44 0.11 -1.98 -3.03 132.00 143.22 2pab h PRO 113 Ca -0.37 -0.12 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2pab h PRO 113 Cb 1.21 -0.25 0.00 0.00 0.11 0.00 0.00 31.00 32.07 2pab h PRO 113 CO 0.63 0.87 0.00 0.66 -0.21 0.00 0.00 178.00 179.95 2pab n TYR 114 N -4.38 0.38 -3.64 0.65 4.01 -1.26 -1.51 117.16 111.41 2pab n TYR 114 Ca 0.09 -0.68 -0.15 0.00 -0.16 0.00 0.00 57.90 57.00 2pab n TYR 114 Cb 0.07 -0.12 -0.08 0.00 -0.31 0.00 0.00 39.34 38.90 2pab n TYR 114 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 2pab s SER 115 N -1.55 -0.51 0.01 7.72 0.15 -1.15 -4.99 113.70 113.38 2pab s SER 115 Ca 0.23 0.68 -0.18 0.00 0.70 0.00 0.00 55.95 57.38 2pab s SER 115 Cb 0.17 0.68 0.03 0.00 -1.71 0.00 0.00 66.02 65.19 2pab s SER 115 CO 0.08 -0.43 0.40 -0.72 1.20 0.00 0.00 173.24 173.77 2pab s TYR 116 N -0.74 -0.27 0.07 3.44 -0.85 -1.26 -0.30 117.35 117.44 2pab s TYR 116 Ca -0.08 0.32 0.08 0.00 -0.52 0.00 0.00 57.07 56.86 2pab s TYR 116 Cb -0.03 0.19 -0.03 0.00 0.38 0.00 0.00 41.96 42.47 2pab s TYR 116 CO 0.05 -0.51 -0.21 -1.54 -1.52 0.00 0.00 175.55 171.83 2pab s SER 117 N -1.69 2.52 0.00 -0.18 1.04 -0.88 -4.99 113.70 109.52 2pab s SER 117 Ca -0.09 -0.60 0.04 0.00 0.48 0.00 0.00 55.95 55.78 2pab s SER 117 Cb -0.02 -0.18 -0.01 0.00 0.10 0.00 0.00 66.02 65.91 2pab s SER 117 CO 0.01 0.12 -0.11 0.28 0.98 0.00 0.00 173.24 174.52 2pab s THR 118 N -0.96 0.89 0.06 2.02 -1.32 -1.26 -1.04 115.64 114.02 2pab s THR 118 Ca 0.07 -0.58 0.02 0.00 -1.21 0.00 0.00 61.69 59.98 2pab s THR 118 Cb -0.09 -0.76 -0.03 0.00 -1.51 0.00 0.00 72.50 70.10 2pab s THR 118 CO 0.03 0.17 -0.06 -0.89 -2.21 0.00 0.00 174.62 171.66 2pab s THR 119 N -0.41 0.53 -0.04 5.08 2.01 -0.24 -4.98 115.64 117.59 2pab s THR 119 Ca 0.03 -1.47 0.05 0.00 0.31 0.00 0.00 61.69 60.61 2pab s THR 119 Cb -0.05 -1.09 -0.01 0.00 0.01 0.00 0.00 72.50 71.37 2pab s THR 119 CO -0.00 -0.64 -0.19 0.00 -0.69 0.00 0.00 174.62 173.09 2pab s ALA 120 N -2.51 1.70 -0.25 7.40 0.00 -1.26 -0.75 121.76 126.08 2pab s ALA 120 Ca -0.00 -0.81 0.01 0.00 0.00 0.00 0.00 51.96 51.16 2pab s ALA 120 Cb -0.02 -0.52 0.06 0.00 0.00 0.00 0.00 23.12 22.64 2pab s ALA 120 CO -0.03 0.34 -0.05 0.08 0.00 0.00 0.00 175.76 176.09 2pab s VAL 121 N -0.11 1.67 0.15 0.00 1.01 -0.33 -4.99 120.40 117.79 2pab s VAL 121 Ca -0.01 -1.36 0.05 0.00 0.00 0.00 0.00 61.98 60.65 2pab s VAL 121 Cb -0.11 -1.93 -0.04 0.00 0.00 0.00 0.00 36.38 34.30 2pab s VAL 121 CO 0.02 -0.13 0.09 -0.69 0.00 0.00 0.00 175.10 174.38 2pab s VAL 122 N 1.32 4.29 0.00 2.92 1.01 -1.26 -2.14 120.40 126.54 2pab s VAL 122 Ca -0.05 -1.09 0.00 0.00 0.00 0.00 0.00 61.98 60.83 2pab s VAL 122 Cb -0.19 -3.15 0.00 0.00 0.00 0.00 0.00 36.38 33.04 2pab s VAL 122 CO -0.07 -0.05 0.00 0.41 0.00 0.00 0.00 175.10 175.39