#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vni s ASP 17 N 0.00 6.28 -0.18 2.55 1.01 -0.37 -4.87 116.67 121.10 2vni s ASP 17 Ca 0.00 1.11 0.01 0.00 0.71 0.00 0.00 52.55 54.38 2vni s ASP 17 Cb 0.00 -2.33 0.03 0.00 1.01 0.00 0.00 42.92 41.63 2vni s ASP 17 CO 0.00 -0.65 -0.15 0.00 0.21 0.00 0.00 175.17 174.58 2vni s ALA 18 N -2.84 2.09 0.27 5.23 0.00 -1.26 -0.38 121.76 124.87 2vni s ALA 18 Ca 0.50 -1.13 0.11 0.00 0.00 0.00 0.00 51.96 51.44 2vni s ALA 18 Cb -0.10 -1.18 -0.05 0.00 0.00 0.00 0.00 23.12 21.79 2vni s ALA 18 CO 0.46 -0.51 -0.10 -0.65 0.00 0.00 0.00 175.76 174.96 2vni s GLN 19 N 1.38 2.00 -0.13 0.00 -1.52 -0.82 -4.94 119.66 115.63 2vni s GLN 19 Ca 0.03 -1.57 -0.06 0.00 -1.95 0.00 0.00 55.36 51.80 2vni s GLN 19 Cb -0.14 -1.98 -0.04 0.00 -0.22 0.00 0.00 33.01 30.63 2vni s GLN 19 CO -0.11 0.35 0.11 0.99 -0.25 0.00 0.00 175.29 176.38 2vni s THR 20 N -2.38 5.23 -0.00 -0.19 2.01 -1.26 -1.64 115.64 117.40 2vni s THR 20 Ca 0.30 0.11 -0.30 0.00 0.31 0.00 0.00 61.69 62.11 2vni s THR 20 Cb -0.06 -3.28 -0.05 0.00 0.01 0.00 0.00 72.50 69.12 2vni s THR 20 CO 0.17 0.59 1.27 -0.69 -0.69 0.00 0.00 174.62 175.27 2vni s VAL 21 N -0.78 4.00 -0.77 3.82 1.01 -0.33 -1.55 120.40 125.80 2vni s VAL 21 Ca 0.13 1.38 0.13 0.00 0.00 0.00 0.00 61.98 63.63 2vni s VAL 21 Cb -0.12 -3.89 -0.11 0.00 0.00 0.00 0.00 36.38 32.27 2vni s VAL 21 CO 0.03 0.03 0.61 0.35 0.00 0.00 0.00 175.10 176.12 2vni n THR 22 N 4.44 0.00 -3.62 3.92 -2.24 0.14 -1.39 114.28 115.52 2vni n THR 22 Ca 0.11 -0.23 -0.05 0.00 -2.27 0.00 0.00 64.05 61.61 2vni n THR 22 Cb 0.45 1.04 -0.05 0.00 -2.10 0.00 0.00 70.33 69.67 2vni n THR 22 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2vni s SER 23 N -2.11 -0.17 0.02 3.42 1.04 -1.23 -4.96 113.70 109.70 2vni s SER 23 Ca 0.06 0.24 0.01 0.00 0.48 0.00 0.00 55.95 56.74 2vni s SER 23 Cb 0.10 0.20 -0.01 0.00 0.10 0.00 0.00 66.02 66.41 2vni s SER 23 CO 0.49 -0.13 -0.05 -0.69 0.98 0.00 0.00 173.24 173.84 2vni s VAL 24 N -0.73 0.33 -0.09 5.02 1.01 -1.26 -1.45 120.40 123.24 2vni s VAL 24 Ca 0.05 -0.61 -0.04 0.00 0.00 0.00 0.00 61.98 61.38 2vni s VAL 24 Cb -0.02 -0.37 0.05 0.00 0.00 0.00 0.00 36.38 36.04 2vni s VAL 24 CO -0.06 -0.19 0.20 -0.13 0.00 0.00 0.00 175.10 174.91 2vni s ARG 25 N -0.86 0.12 -0.18 2.72 0.52 -0.09 -5.00 118.95 116.18 2vni s ARG 25 Ca -0.06 0.54 -0.13 0.00 -0.52 0.00 0.00 55.73 55.56 2vni s ARG 25 Cb -0.06 -0.16 -0.05 0.00 0.52 0.00 0.00 34.95 35.21 2vni s ARG 25 CO -0.00 -0.22 0.25 -1.01 0.02 0.00 0.00 175.30 174.33 2vni s HIS 26 N 1.73 3.43 -0.26 -0.53 3.76 -1.26 -0.91 115.29 121.26 2vni s HIS 26 Ca -0.04 0.50 -0.09 0.00 -0.15 0.00 0.00 55.06 55.28 2vni s HIS 26 Cb -0.11 -2.30 -0.15 0.00 1.11 0.00 0.00 32.58 31.12 2vni s HIS 26 CO -0.07 0.22 -0.21 0.91 -0.85 0.00 0.00 174.74 174.74 2vni n TRP 27 N 3.68 0.20 -3.95 1.40 7.02 -0.11 -4.99 117.44 120.68 2vni n TRP 27 Ca -0.13 0.07 -0.10 0.00 -1.02 0.00 0.00 57.50 56.32 2vni n TRP 27 Cb 0.52 -1.02 -0.03 0.00 -2.42 0.00 0.00 31.31 28.36 2vni n TRP 27 CO 0.00 0.00 0.00 0.25 -2.02 0.00 0.00 177.69 175.92 2vni n THR 28 N -3.91 0.00 0.91 -0.99 -2.24 -1.05 -4.97 114.28 102.04 2vni n THR 28 Ca -0.48 -1.20 0.08 0.00 -2.27 0.00 0.00 64.05 60.18 2vni n THR 28 Cb 0.91 0.69 0.44 0.00 -2.10 0.00 0.00 70.33 70.27 2vni n THR 28 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2vni n ASP 29 N -1.93 0.00 0.00 3.42 5.75 -1.26 -3.00 116.55 119.53 2vni n ASP 29 Ca 0.02 -0.34 0.00 0.00 -0.01 0.00 0.00 54.79 54.46 2vni n ASP 29 Cb 0.36 -0.08 0.00 0.00 -1.03 0.00 0.00 41.12 40.37 2vni n ASP 29 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 2vni n THR 30 N -1.08 0.04 -4.12 2.12 -2.24 -1.26 -4.89 114.28 102.85 2vni n THR 30 Ca 0.11 -0.14 -0.15 0.00 -2.27 0.00 0.00 64.05 61.59 2vni n THR 30 Cb 0.07 1.62 -0.14 0.00 -2.10 0.00 0.00 70.33 69.78 2vni n THR 30 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2vni s LEU 31 N -0.04 2.01 0.08 3.22 1.43 -1.16 -0.38 118.68 123.85 2vni s LEU 31 Ca 0.00 -0.09 -0.21 0.00 -1.03 0.00 0.00 54.13 52.80 2vni s LEU 31 Cb 0.00 -0.23 0.05 0.00 0.03 0.00 0.00 46.19 46.04 2vni s LEU 31 CO 0.00 0.05 0.51 0.72 0.23 0.00 0.00 176.35 177.86 2vni s PHE 32 N -0.13 -0.39 0.13 0.29 -0.71 -0.57 -0.93 117.98 115.67 2vni s PHE 32 Ca 0.02 0.31 0.07 0.00 -1.04 0.00 0.00 56.93 56.28 2vni s PHE 32 Cb -0.02 0.36 -0.04 0.00 -1.21 0.00 0.00 43.02 42.11 2vni s PHE 32 CO -0.00 -0.69 -0.15 -1.54 -1.34 0.00 0.00 175.22 171.49 2vni s SER 33 N -2.30 2.20 0.11 1.98 1.04 -0.09 -0.14 113.70 116.51 2vni s SER 33 Ca -0.02 -0.81 -0.16 0.00 0.48 0.00 0.00 55.95 55.44 2vni s SER 33 Cb -0.00 -0.09 0.03 0.00 0.10 0.00 0.00 66.02 66.06 2vni s SER 33 CO -0.06 -0.10 0.38 0.72 0.98 0.00 0.00 173.24 175.16 2vni s PHE 34 N -2.04 -0.18 0.13 5.02 -0.12 -0.84 -0.91 117.98 119.03 2vni s PHE 34 Ca 0.10 -0.12 0.10 0.00 -0.05 0.00 0.00 56.93 56.97 2vni s PHE 34 Cb -0.05 0.23 -0.04 0.00 -0.63 0.00 0.00 43.02 42.52 2vni s PHE 34 CO 0.04 -0.67 -0.25 1.03 -0.05 0.00 0.00 175.22 175.31 2vni s ARG 35 N -3.66 1.34 0.05 1.99 0.52 -0.53 -1.28 118.95 117.38 2vni s ARG 35 Ca 0.02 -1.31 -0.02 0.00 -0.52 0.00 0.00 55.73 53.90 2vni s ARG 35 Cb 0.02 -1.78 -0.03 0.00 0.52 0.00 0.00 34.95 33.68 2vni s ARG 35 CO -0.11 0.42 -0.01 0.14 0.02 0.00 0.00 175.30 175.76 2vni s VAL 36 N -1.10 0.19 0.44 3.52 -7.23 0.73 -0.69 120.40 116.26 2vni s VAL 36 Ca 0.12 -1.55 -0.25 0.00 -1.81 0.00 0.00 61.98 58.50 2vni s VAL 36 Cb -0.10 -1.22 -0.08 0.00 0.56 0.00 0.00 36.38 35.54 2vni s VAL 36 CO 0.06 -0.85 1.35 0.42 -0.31 0.00 0.00 175.10 175.76 2vni s THR 37 N -3.34 2.38 -0.13 5.32 -4.23 -0.59 -0.96 115.64 114.09 2vni s THR 37 Ca 0.02 0.33 -0.07 0.00 -1.18 0.00 0.00 61.69 60.78 2vni s THR 37 Cb 0.04 -3.19 -0.04 0.00 1.34 0.00 0.00 72.50 70.64 2vni s THR 37 CO -0.08 0.04 0.14 -0.60 -0.54 0.00 0.00 174.62 173.58 2vni s ARG 38 N -2.41 3.54 0.26 3.99 3.52 -1.25 -4.59 118.95 122.01 2vni s ARG 38 Ca 0.60 -0.15 -0.30 0.00 -0.13 0.00 0.00 55.73 55.75 2vni s ARG 38 Cb -0.40 -3.22 -0.11 0.00 -1.56 0.00 0.00 34.95 29.66 2vni s ARG 38 CO 0.51 0.71 1.55 -2.14 -0.81 0.00 0.00 175.30 175.12 2vni s PRO 39 N -0.83 4.18 0.41 5.12 0.02 -1.26 -4.84 135.00 137.80 2vni s PRO 39 Ca 0.14 2.47 0.19 0.00 0.02 0.00 0.00 61.00 63.82 2vni s PRO 39 Cb -0.12 -3.07 1.12 0.00 0.02 0.00 0.00 34.50 32.45 2vni s PRO 39 CO 0.03 -0.57 1.80 1.96 -0.33 0.00 0.00 177.00 179.89 2vni h GLN 40 N 5.22 0.37 0.01 5.54 1.08 -1.98 -2.15 115.11 123.21 2vni h GLN 40 Ca -0.46 -0.02 -0.22 0.00 -1.45 0.00 0.00 58.65 56.50 2vni h GLN 40 Cb 1.22 -0.08 -0.03 0.00 -0.05 0.00 0.00 27.48 28.54 2vni h GLN 40 CO 0.81 0.24 -1.06 1.15 -0.95 0.00 0.00 178.83 179.02 2vni h THR 41 N 0.38 1.65 -1.81 -0.54 2.02 -2.02 -3.46 112.91 109.12 2vni h THR 41 Ca 0.56 -3.35 -0.66 0.00 0.77 0.00 0.00 66.41 63.72 2vni h THR 41 Cb 1.45 2.84 0.01 0.00 -1.74 0.00 0.00 68.15 70.71 2vni h THR 41 CO -0.25 0.94 1.05 -0.11 0.37 0.00 0.00 175.52 177.52 2vni n LEU 42 N -3.35 3.01 -4.20 2.58 -0.00 -0.81 -4.98 117.00 109.26 2vni n LEU 42 Ca -0.02 0.99 -0.27 0.00 -0.00 0.00 0.00 56.01 56.71 2vni n LEU 42 Cb 0.95 -1.28 -0.16 0.00 -0.00 0.00 0.00 43.42 42.94 2vni n LEU 42 CO 0.48 -0.22 -0.52 -0.13 -0.00 0.00 0.00 177.39 177.00 2vni s ARG 43 N 4.01 1.70 0.27 1.96 1.81 -1.26 -4.93 118.95 122.51 2vni s ARG 43 Ca 0.96 -0.70 -0.19 0.00 -1.72 0.00 0.00 55.73 54.07 2vni s ARG 43 Cb -0.84 -1.60 0.01 0.00 -0.45 0.00 0.00 34.95 32.08 2vni s ARG 43 CO 0.57 0.39 0.67 -0.59 -0.68 0.00 0.00 175.30 175.66 2vni s PHE 44 N -0.35 -0.07 -0.16 -0.53 -0.71 -1.26 -4.70 117.98 110.20 2vni s PHE 44 Ca 0.05 -0.37 -0.05 0.00 -1.04 0.00 0.00 56.93 55.52 2vni s PHE 44 Cb -0.09 0.60 -0.03 0.00 -1.21 0.00 0.00 43.02 42.29 2vni s PHE 44 CO 0.00 -1.19 -0.00 1.03 -1.34 0.00 0.00 175.22 173.72 2vni s ARG 45 N -3.94 3.70 0.09 1.99 0.52 -1.26 -4.73 118.95 115.32 2vni s ARG 45 Ca 0.13 -0.45 -0.36 0.00 -0.52 0.00 0.00 55.73 54.54 2vni s ARG 45 Cb -0.05 -3.00 -0.17 0.00 0.52 0.00 0.00 34.95 32.25 2vni s ARG 45 CO 0.07 0.31 1.18 0.43 0.02 0.00 0.00 175.30 177.31 2vni n SER 46 N 3.37 0.96 0.00 0.23 7.64 -1.26 -1.72 113.62 122.83 2vni n SER 46 Ca -0.17 1.14 0.00 0.00 1.01 0.00 0.00 58.87 60.84 2vni n SER 46 Cb 0.52 -1.11 0.00 0.00 -1.01 0.00 0.00 64.21 62.61 2vni n SER 46 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2vni n GLY 47 N 2.09 2.50 3.82 0.23 0.00 -1.26 -4.63 105.19 107.93 2vni n GLY 47 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 2vni n GLY 47 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2vni s GLU 48 N -0.34 1.90 0.33 1.61 2.02 -0.70 -4.54 118.70 118.98 2vni s GLU 48 Ca 0.00 0.48 0.06 0.00 0.02 0.00 0.00 54.97 55.54 2vni s GLU 48 Cb 0.00 -1.91 -0.07 0.00 0.10 0.00 0.00 34.13 32.25 2vni s GLU 48 CO 0.00 -1.71 -0.01 -0.59 0.02 0.00 0.00 175.26 172.97 2vni s PHE 49 N -3.24 2.15 0.20 1.61 -0.71 0.28 -1.82 117.98 116.44 2vni s PHE 49 Ca 0.61 -0.75 -0.05 0.00 -1.04 0.00 0.00 56.93 55.70 2vni s PHE 49 Cb -0.14 -1.37 -0.03 0.00 -1.21 0.00 0.00 43.02 40.27 2vni s PHE 49 CO 0.53 0.27 0.23 0.14 -1.34 0.00 0.00 175.22 175.06 2vni s VAL 50 N -2.98 0.02 -0.07 -2.49 -7.23 -0.11 -1.93 120.40 105.61 2vni s VAL 50 Ca 0.33 -1.76 -0.14 0.00 -1.81 0.00 0.00 61.98 58.61 2vni s VAL 50 Cb 0.07 -2.29 -0.05 0.00 0.56 0.00 0.00 36.38 34.66 2vni s VAL 50 CO 0.15 -0.08 0.35 -0.04 -0.31 0.00 0.00 175.10 175.16 2vni s MET 51 N -4.09 3.98 0.17 4.82 1.00 -1.26 -0.08 119.30 123.85 2vni s MET 51 Ca 0.30 0.25 0.01 0.00 0.00 0.00 0.00 55.69 56.25 2vni s MET 51 Cb 0.05 -3.29 -0.04 0.00 0.00 0.00 0.00 34.83 31.54 2vni s MET 51 CO 0.09 0.53 0.05 0.96 0.00 0.00 0.00 175.02 176.64 2vni s ILE 52 N -0.48 0.41 -0.23 2.53 -4.36 -0.57 -1.18 121.20 117.32 2vni s ILE 52 Ca 0.21 -1.96 0.00 0.00 -0.26 0.00 0.00 60.65 58.64 2vni s ILE 52 Cb -0.15 -2.21 0.00 0.00 1.25 0.00 0.00 42.46 41.35 2vni s ILE 52 CO 0.09 -0.36 0.00 0.61 0.24 0.00 0.00 174.94 175.53 2vni n GLY 53 N -0.23 -1.21 3.22 6.27 0.00 0.29 -0.79 105.19 112.74 2vni n GLY 53 Ca -0.04 -0.81 -0.12 0.00 0.00 0.00 0.00 46.02 45.05 2vni n GLY 53 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2vni s LEU 54 N 0.00 1.16 0.05 0.99 1.43 -0.87 -0.50 118.68 120.94 2vni s LEU 54 Ca 0.00 -1.34 -0.09 0.00 -1.03 0.00 0.00 54.13 51.67 2vni s LEU 54 Cb 0.00 0.45 -0.05 0.00 0.03 0.00 0.00 46.19 46.62 2vni s LEU 54 CO 0.00 -0.85 0.35 -0.76 0.23 0.00 0.00 176.35 175.33 2vni s LEU 55 N -3.14 4.36 0.00 1.79 1.43 -1.26 0.24 118.68 122.10 2vni s LEU 55 Ca 0.37 0.71 0.00 0.00 -1.03 0.00 0.00 54.13 54.18 2vni s LEU 55 Cb 0.07 -2.86 0.00 0.00 0.03 0.00 0.00 46.19 43.42 2vni s LEU 55 CO 0.11 0.20 0.00 -0.90 0.23 0.00 0.00 176.35 175.99 2vni n ASP 56 N 1.00 0.00 0.07 2.29 5.68 0.00 -4.87 116.55 120.72 2vni n ASP 56 Ca -0.09 0.00 -0.15 0.00 -0.50 0.00 0.00 54.79 54.05 2vni n ASP 56 Cb 0.52 0.00 -0.06 0.00 -1.14 0.00 0.00 41.12 40.44 2vni n ASP 56 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 2vni h ASP 57 N 0.00 0.59 0.00 -1.12 3.32 -1.99 -3.07 116.42 114.16 2vni h ASP 57 Ca 0.00 -0.48 0.00 0.00 0.02 0.00 0.00 57.03 56.57 2vni h ASP 57 Cb 0.00 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.37 2vni h ASP 57 CO 0.00 1.29 0.00 0.59 -1.72 0.00 0.00 179.24 179.40 2vni n ASN 58 N -3.75 0.00 0.00 6.45 3.02 -1.26 -4.86 115.26 114.86 2vni n ASN 58 Ca -0.08 -1.38 0.00 0.00 -0.03 0.00 0.00 54.58 53.09 2vni n ASN 58 Cb 0.86 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 40.03 2vni n ASN 58 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2vni n GLY 59 N 0.73 0.44 3.72 7.41 0.00 -1.16 -5.05 105.19 111.28 2vni n GLY 59 Ca 0.13 -0.89 -0.37 0.00 0.00 0.00 0.00 46.02 44.90 2vni n GLY 59 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2vni s LYS 60 N -1.62 4.26 0.36 1.61 2.20 -1.26 -4.74 119.74 120.54 2vni s LYS 60 Ca 0.00 0.13 -0.28 0.00 -0.36 0.00 0.00 55.97 55.45 2vni s LYS 60 Cb 0.00 -3.44 -0.11 0.00 -1.51 0.00 0.00 37.83 32.77 2vni s LYS 60 CO 0.00 0.20 1.52 -2.30 -0.36 0.00 0.00 175.35 174.41 2vni n PRO 61 N 3.68 2.71 -4.00 4.03 -0.02 -1.26 -0.82 135.00 139.32 2vni n PRO 61 Ca -0.11 0.95 -0.32 0.00 -2.02 0.00 0.00 63.50 62.00 2vni n PRO 61 Cb 0.52 -2.70 -0.15 0.00 -0.02 0.00 0.00 33.50 31.15 2vni n PRO 61 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2vni s ILE 62 N -0.90 2.43 0.03 4.25 1.01 0.14 -4.87 121.20 123.28 2vni s ILE 62 Ca 0.55 -1.91 0.03 0.00 0.00 0.00 0.00 60.65 59.32 2vni s ILE 62 Cb -0.47 -2.59 -0.04 0.00 0.01 0.00 0.00 42.46 39.37 2vni s ILE 62 CO 0.61 -0.32 -0.03 -0.04 0.00 0.00 0.00 174.94 175.16 2vni s MET 63 N 1.05 2.60 -0.02 2.79 -1.94 -1.26 -2.05 119.30 120.47 2vni s MET 63 Ca 0.01 -0.73 -0.09 0.00 -1.71 0.00 0.00 55.69 53.17 2vni s MET 63 Cb -0.20 -2.55 0.01 0.00 2.01 0.00 0.00 34.83 34.10 2vni s MET 63 CO -0.06 0.59 0.19 1.03 -0.01 0.00 0.00 175.02 176.76 2vni s ARG 64 N -1.71 0.47 0.34 2.03 1.81 0.03 -4.95 118.95 116.96 2vni s ARG 64 Ca 0.20 -0.21 -0.28 0.00 -1.72 0.00 0.00 55.73 53.73 2vni s ARG 64 Cb -0.11 0.20 -0.09 0.00 -0.45 0.00 0.00 34.95 34.49 2vni s ARG 64 CO 0.11 -0.11 1.18 0.00 -0.68 0.00 0.00 175.30 175.80 2vni s ALA 65 N -1.04 3.34 -0.10 2.13 0.00 -1.26 -1.51 121.76 123.32 2vni s ALA 65 Ca -0.11 1.02 -0.05 0.00 0.00 0.00 0.00 51.96 52.82 2vni s ALA 65 Cb -0.06 -3.38 0.05 0.00 0.00 0.00 0.00 23.12 19.73 2vni s ALA 65 CO 0.02 -0.41 0.23 0.71 0.00 0.00 0.00 175.76 176.31 2vni s TYR 66 N -1.25 -0.32 0.41 0.00 1.51 0.89 -4.91 117.35 113.67 2vni s TYR 66 Ca 0.50 0.78 -0.26 0.00 -1.01 0.00 0.00 57.07 57.08 2vni s TYR 66 Cb -0.33 -0.00 -0.08 0.00 -0.11 0.00 0.00 41.96 41.43 2vni s TYR 66 CO 0.43 -0.25 1.27 -1.12 -1.11 0.00 0.00 175.55 174.77 2vni s SER 67 N 1.54 6.35 -0.48 2.29 0.01 -1.26 -0.94 113.70 121.21 2vni s SER 67 Ca -0.07 2.57 -0.26 0.00 1.31 0.00 0.00 55.95 59.50 2vni s SER 67 Cb -0.11 -2.63 0.03 0.00 0.21 0.00 0.00 66.02 63.52 2vni s SER 67 CO -0.08 -0.82 0.99 -0.63 0.41 0.00 0.00 173.24 173.11 2vni s ILE 68 N -1.30 4.38 -0.65 1.44 1.01 -0.76 -4.68 121.20 120.64 2vni s ILE 68 Ca 0.57 0.83 0.20 0.00 0.00 0.00 0.00 60.65 62.26 2vni s ILE 68 Cb -0.36 -4.50 0.20 0.00 0.01 0.00 0.00 42.46 37.82 2vni s ILE 68 CO 0.46 -0.92 1.63 0.00 0.00 0.00 0.00 174.94 176.11 2vni n ALA 69 N 7.41 1.66 -2.87 9.38 0.00 -0.45 -4.52 120.51 131.12 2vni n ALA 69 Ca 0.07 0.04 -0.31 0.00 0.00 0.00 0.00 53.44 53.25 2vni n ALA 69 Cb 0.49 -1.34 -0.05 0.00 0.00 0.00 0.00 19.45 18.55 2vni n ALA 69 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2vni s SER 70 N -3.83 6.09 0.79 0.00 1.04 -1.24 -1.83 113.70 114.72 2vni s SER 70 Ca 0.05 0.18 -0.12 0.00 0.48 0.00 0.00 55.95 56.54 2vni s SER 70 Cb 0.09 -1.80 0.07 0.00 0.10 0.00 0.00 66.02 64.48 2vni s SER 70 CO 0.35 0.17 1.14 -2.16 0.98 0.00 0.00 173.24 173.72 2vni s PRO 71 N -2.49 1.90 0.53 4.02 0.04 -1.26 -4.71 135.00 133.03 2vni s PRO 71 Ca 0.33 1.47 0.24 0.00 0.04 0.00 0.00 61.00 63.08 2vni s PRO 71 Cb -0.13 -1.83 1.40 0.00 0.04 0.00 0.00 34.50 33.98 2vni s PRO 71 CO 0.26 -1.96 2.02 0.00 0.04 0.00 0.00 177.00 177.36 2vni h ALA 72 N -1.01 2.38 0.00 8.56 0.00 -1.86 -2.02 119.26 125.31 2vni h ALA 72 Ca -0.45 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2vni h ALA 72 Cb 1.26 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.08 2vni h ALA 72 CO 0.48 -0.54 -0.31 -2.67 0.00 0.00 0.00 179.25 176.21 2vni n TRP 73 N -4.35 0.56 -2.18 0.00 4.27 -1.26 -4.87 117.44 109.61 2vni n TRP 73 Ca 0.07 0.16 -0.42 0.00 -3.89 0.00 0.00 57.50 53.42 2vni n TRP 73 Cb 0.52 -0.70 -0.03 0.00 -1.36 0.00 0.00 31.31 29.75 2vni n TRP 73 CO 0.00 0.00 0.00 0.34 -2.29 0.00 0.00 177.69 175.74 2vni s ASP 74 N -4.05 6.79 0.28 -0.67 -1.08 -0.76 -4.89 116.67 112.29 2vni s ASP 74 Ca 0.09 2.04 0.20 0.00 -0.52 0.00 0.00 52.55 54.36 2vni s ASP 74 Cb 0.14 -2.54 1.04 0.00 -1.46 0.00 0.00 42.92 40.10 2vni s ASP 74 CO 0.65 -0.83 1.60 -0.62 0.52 0.00 0.00 175.17 176.48 2vni n GLU 75 N 6.61 0.13 -4.43 4.34 1.02 -1.26 -4.60 120.64 122.45 2vni n GLU 75 Ca 0.15 0.60 -0.25 0.00 -0.02 0.00 0.00 57.16 57.65 2vni n GLU 75 Cb 0.44 -1.90 -0.10 0.00 -0.02 0.00 0.00 31.44 29.85 2vni n GLU 75 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2vni s GLU 76 N -3.47 1.70 -0.11 3.49 2.02 -1.26 -3.94 118.70 117.12 2vni s GLU 76 Ca -0.02 -1.63 -0.05 0.00 0.02 0.00 0.00 54.97 53.30 2vni s GLU 76 Cb 0.06 -1.85 -0.04 0.00 0.10 0.00 0.00 34.13 32.40 2vni s GLU 76 CO 0.19 0.36 0.06 -0.51 0.02 0.00 0.00 175.26 175.39 2vni s LEU 77 N -3.20 3.93 0.17 1.80 1.43 -0.13 -4.91 118.68 117.77 2vni s LEU 77 Ca 0.27 0.26 0.11 0.00 -1.03 0.00 0.00 54.13 53.74 2vni s LEU 77 Cb -0.06 -1.94 -0.04 0.00 0.03 0.00 0.00 46.19 44.18 2vni s LEU 77 CO 0.14 0.36 -0.25 -0.70 0.23 0.00 0.00 176.35 176.13 2vni s GLU 78 N -0.76 1.46 -0.00 1.70 2.12 -1.26 -0.19 118.70 121.76 2vni s GLU 78 Ca 0.12 -1.45 -0.02 0.00 0.36 0.00 0.00 54.97 53.99 2vni s GLU 78 Cb -0.12 -1.84 -0.00 0.00 0.26 0.00 0.00 34.13 32.43 2vni s GLU 78 CO 0.03 0.41 0.03 -0.06 -0.54 0.00 0.00 175.26 175.13 2vni s PHE 79 N -1.45 0.05 -0.17 5.30 0.08 -0.40 -1.35 117.98 120.04 2vni s PHE 79 Ca 0.18 -0.09 -0.01 0.00 0.12 0.00 0.00 56.93 57.12 2vni s PHE 79 Cb -0.09 -0.05 -0.00 0.00 -0.57 0.00 0.00 43.02 42.31 2vni s PHE 79 CO 0.08 -0.10 -0.12 -0.47 -0.10 0.00 0.00 175.22 174.51 2vni s TYR 80 N -0.55 2.84 0.06 0.36 5.04 -1.26 -1.98 117.35 121.87 2vni s TYR 80 Ca -0.06 -1.05 0.06 0.00 -2.44 0.00 0.00 57.07 53.58 2vni s TYR 80 Cb -0.04 -1.95 -0.03 0.00 0.35 0.00 0.00 41.96 40.29 2vni s TYR 80 CO -0.00 -0.51 -0.16 0.45 -1.34 0.00 0.00 175.55 173.99 2vni s SER 81 N 1.02 1.86 0.62 4.32 0.15 0.80 -4.94 113.70 117.52 2vni s SER 81 Ca -0.01 -0.57 -0.05 0.00 0.70 0.00 0.00 55.95 56.01 2vni s SER 81 Cb -0.15 -0.09 0.03 0.00 -1.71 0.00 0.00 66.02 64.10 2vni s SER 81 CO -0.02 -0.01 0.92 -0.51 1.20 0.00 0.00 173.24 174.82 2vni s ILE 82 N -1.10 3.10 -0.25 6.45 1.10 -1.26 -1.51 121.20 127.74 2vni s ILE 82 Ca 0.01 -0.16 0.00 0.00 -0.51 0.00 0.00 60.65 59.99 2vni s ILE 82 Cb -0.09 -3.26 0.07 0.00 0.15 0.00 0.00 42.46 39.33 2vni s ILE 82 CO 0.02 -0.26 -0.01 -0.54 -2.11 0.00 0.00 174.94 172.04 2vni s LYS 83 N -5.05 1.33 -0.75 3.50 1.02 0.49 -4.85 119.74 115.43 2vni s LYS 83 Ca 0.56 -0.98 -0.02 0.00 0.02 0.00 0.00 55.97 55.56 2vni s LYS 83 Cb -0.11 -2.48 0.19 0.00 -0.52 0.00 0.00 37.83 34.91 2vni s LYS 83 CO 0.44 -0.68 0.59 0.08 -0.92 0.00 0.00 175.35 174.86 2vni s VAL 84 N 1.46 3.93 0.22 3.17 1.01 -1.26 -4.82 120.40 124.11 2vni s VAL 84 Ca -0.02 -3.46 -0.32 0.00 0.00 0.00 0.00 61.98 58.18 2vni s VAL 84 Cb -0.18 -3.51 -0.13 0.00 0.00 0.00 0.00 36.38 32.56 2vni s VAL 84 CO -0.09 -0.98 1.53 -2.65 0.00 0.00 0.00 175.10 172.91 2vni n PRO 85 N 2.86 2.24 -0.11 2.72 -0.02 -1.26 0.25 135.00 141.69 2vni n PRO 85 Ca 0.15 0.80 0.00 0.00 -2.02 0.00 0.00 63.50 62.43 2vni n PRO 85 Cb 0.37 -2.54 0.00 0.00 -0.02 0.00 0.00 33.50 31.31 2vni n PRO 85 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2vni n ASP 86 N 2.79 0.00 -4.62 2.55 8.00 -1.26 -5.00 116.55 119.00 2vni n ASP 86 Ca 0.14 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.22 2vni n ASP 86 Cb 0.32 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.37 2vni n ASP 86 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 2vni s GLY 87 N -1.66 1.70 0.24 0.44 0.00 0.71 -4.95 107.32 103.80 2vni s GLY 87 Ca 0.00 -0.35 -0.06 0.00 0.00 0.00 0.00 44.72 44.32 2vni s GLY 87 CO 0.00 1.80 1.33 -1.05 0.00 0.00 0.00 173.10 175.17 2vni n PRO 88 N 6.22 -0.08 -0.07 2.90 -0.02 -1.26 -1.23 135.00 141.47 2vni n PRO 88 Ca 0.05 1.32 -0.07 0.00 -2.02 0.00 0.00 63.50 62.77 2vni n PRO 88 Cb 0.48 -1.99 -0.05 0.00 -0.02 0.00 0.00 33.50 31.93 2vni n PRO 88 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2vni h LEU 89 N 0.00 0.00 -0.93 2.45 5.85 -1.92 -3.39 115.31 117.37 2vni h LEU 89 Ca 0.42 -0.27 0.00 0.00 0.84 0.00 0.00 57.88 58.87 2vni h LEU 89 Cb 0.68 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.71 2vni h LEU 89 CO -0.87 0.83 0.00 0.71 -0.34 0.00 0.00 178.44 178.77 2vni h THR 90 N -1.00 0.00 -0.03 1.05 1.35 -1.82 0.26 112.91 112.73 2vni h THR 90 Ca -0.06 -0.31 -0.06 0.00 -0.55 0.00 0.00 66.41 65.43 2vni h THR 90 Cb 0.55 1.12 -0.01 0.00 -1.73 0.00 0.00 68.15 68.07 2vni h THR 90 CO -0.03 0.00 -0.27 0.77 -0.25 0.00 0.00 175.52 175.74 2vni h SER 91 N 0.00 0.05 0.00 5.36 4.64 -1.30 -2.15 113.55 120.15 2vni h SER 91 Ca 0.00 -0.01 -0.15 0.00 -0.47 0.00 0.00 61.79 61.16 2vni h SER 91 Cb 0.40 -0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 62.46 2vni h SER 91 CO 0.00 0.32 -1.05 0.54 -0.87 0.00 0.00 176.83 175.77 2vni n ARG 92 N -4.20 0.52 -0.16 4.77 1.74 -0.64 -4.45 116.66 114.24 2vni n ARG 92 Ca -0.02 0.52 0.23 0.00 -0.77 0.00 0.00 57.85 57.81 2vni n ARG 92 Cb 0.33 -1.69 0.63 0.00 -1.02 0.00 0.00 32.46 30.71 2vni n ARG 92 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 2vni h LEU 93 N -1.00 0.17 -2.51 0.55 5.85 -0.54 0.43 115.31 118.26 2vni h LEU 93 Ca -0.22 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.51 2vni h LEU 93 Cb 1.00 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 42.01 2vni h LEU 93 CO -0.13 0.07 -0.01 0.06 -0.34 0.00 0.00 178.44 178.09 2vni h GLN 94 N 0.17 0.00 0.00 1.25 3.07 -1.60 -1.63 115.11 116.37 2vni h GLN 94 Ca 0.40 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.14 2vni h GLN 94 Cb 1.32 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.88 2vni h GLN 94 CO -0.07 0.01 -0.62 0.72 0.09 0.00 0.00 178.83 178.95 2vni n HIS 95 N -3.15 0.27 -1.54 0.06 8.25 0.14 -4.96 115.22 114.29 2vni n HIS 95 Ca -0.02 0.08 -0.49 0.00 -0.26 0.00 0.00 57.72 57.02 2vni n HIS 95 Cb 0.14 -0.45 -0.04 0.00 1.12 0.00 0.00 29.99 30.76 2vni n HIS 95 CO 0.00 0.00 0.00 1.51 0.64 0.00 0.00 176.34 178.49 2vni n ILE 96 N -1.82 1.10 -4.43 1.59 0.13 -0.61 -4.99 119.36 110.33 2vni n ILE 96 Ca 0.04 -0.28 -0.24 0.00 -1.10 0.00 0.00 62.75 61.18 2vni n ILE 96 Cb 0.39 -0.61 -0.09 0.00 -0.84 0.00 0.00 39.64 38.49 2vni n ILE 96 CO 0.00 0.00 0.00 -0.54 2.80 0.00 0.00 176.55 178.81 2vni s LYS 97 N -0.58 1.85 0.27 9.51 -0.14 -1.26 -5.02 119.74 124.36 2vni s LYS 97 Ca 0.72 -1.71 -0.31 0.00 -1.36 0.00 0.00 55.97 53.32 2vni s LYS 97 Cb -0.90 -1.86 -0.11 0.00 -1.68 0.00 0.00 37.83 33.28 2vni s LYS 97 CO 0.54 0.31 1.62 0.08 -0.76 0.00 0.00 175.35 177.15 2vni s VAL 98 N -2.48 2.09 0.00 3.17 1.01 -1.26 -1.49 120.40 121.45 2vni s VAL 98 Ca 0.31 0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.36 2vni s VAL 98 Cb -0.04 -3.05 0.00 0.00 0.00 0.00 0.00 36.38 33.29 2vni s VAL 98 CO 0.16 0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.88 2vni n GLY 99 N 2.69 3.32 3.95 4.51 0.00 -0.49 -5.00 105.19 114.18 2vni n GLY 99 Ca 0.10 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.85 2vni n GLY 99 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2vni s GLU 100 N -0.76 1.36 0.24 1.61 2.02 -0.55 -4.77 118.70 117.85 2vni s GLU 100 Ca 0.00 -0.56 0.06 0.00 0.02 0.00 0.00 54.97 54.49 2vni s GLU 100 Cb 0.00 -2.07 -0.05 0.00 0.10 0.00 0.00 34.13 32.11 2vni s GLU 100 CO 0.00 -1.83 -0.06 -0.65 0.02 0.00 0.00 175.26 172.74 2vni s GLN 101 N -5.51 1.41 0.10 1.61 -0.21 -1.26 -1.19 119.66 114.61 2vni s GLN 101 Ca 0.68 -1.69 0.06 0.00 0.02 0.00 0.00 55.36 54.42 2vni s GLN 101 Cb -0.06 -0.97 -0.03 0.00 1.00 0.00 0.00 33.01 32.95 2vni s GLN 101 CO 0.48 0.03 -0.14 0.96 -2.12 0.00 0.00 175.29 174.50 2vni s ILE 102 N -3.13 1.25 0.00 1.08 -4.36 -0.65 -4.96 121.20 110.42 2vni s ILE 102 Ca 0.27 -1.53 -0.26 0.00 -0.26 0.00 0.00 60.65 58.87 2vni s ILE 102 Cb 0.03 -1.33 -0.04 0.00 1.25 0.00 0.00 42.46 42.37 2vni s ILE 102 CO 0.09 -0.32 0.81 -0.63 0.24 0.00 0.00 174.94 175.13 2vni s ILE 103 N -1.72 4.84 -0.07 8.37 1.01 0.34 -1.95 121.20 132.03 2vni s ILE 103 Ca 0.04 1.70 -0.01 0.00 0.00 0.00 0.00 60.65 62.38 2vni s ILE 103 Cb -0.07 -4.15 0.03 0.00 0.01 0.00 0.00 42.46 38.27 2vni s ILE 103 CO 0.03 0.28 -0.02 -0.22 0.00 0.00 0.00 174.94 175.01 2vni s LEU 104 N 0.45 0.86 -0.70 2.97 2.96 0.49 -0.54 118.68 125.17 2vni s LEU 104 Ca 0.42 -0.12 -0.20 0.00 -0.22 0.00 0.00 54.13 54.01 2vni s LEU 104 Cb -0.20 -0.49 0.10 0.00 0.50 0.00 0.00 46.19 46.11 2vni s LEU 104 CO 0.23 -0.15 0.89 -0.60 -1.32 0.00 0.00 176.35 175.40 2vni s ARG 105 N 1.65 3.22 -0.05 1.98 3.52 -0.33 -1.24 118.95 127.71 2vni s ARG 105 Ca 0.01 -1.31 -0.01 0.00 -0.13 0.00 0.00 55.73 54.28 2vni s ARG 105 Cb -0.13 -4.40 -0.04 0.00 -1.56 0.00 0.00 34.95 28.82 2vni s ARG 105 CO -0.04 -1.67 1.05 -0.35 -0.81 0.00 0.00 175.30 173.48 2vni n PRO 106 N 6.72 0.36 -3.68 5.12 -0.04 -1.26 -4.13 135.00 138.09 2vni n PRO 106 Ca 0.01 -0.27 -0.30 0.00 -0.04 0.00 0.00 63.50 62.90 2vni n PRO 106 Cb 0.45 -1.68 -0.14 0.00 -0.04 0.00 0.00 33.50 32.09 2vni n PRO 106 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 2vni s LYS 107 N 3.03 0.92 0.45 0.54 1.02 -1.26 -4.85 119.74 119.59 2vni s LYS 107 Ca 0.11 -1.49 -0.23 0.00 0.02 0.00 0.00 55.97 54.38 2vni s LYS 107 Cb 0.05 -2.01 -0.08 0.00 -0.52 0.00 0.00 37.83 35.27 2vni s LYS 107 CO -0.00 -1.10 1.12 -1.25 -0.92 0.00 0.00 175.35 173.20 2vni s PRO 108 N 1.01 3.84 0.34 -1.68 0.04 -1.26 -4.70 135.00 132.59 2vni s PRO 108 Ca 0.14 1.66 -0.08 0.00 0.04 0.00 0.00 61.00 62.76 2vni s PRO 108 Cb -0.21 -2.38 0.03 0.00 0.04 0.00 0.00 34.50 31.98 2vni s PRO 108 CO -0.11 -0.46 0.59 1.33 0.04 0.00 0.00 177.00 178.40 2vni n VAL 109 N -0.48 0.00 0.00 -0.36 0.24 -0.81 -4.96 118.33 111.96 2vni n VAL 109 Ca 0.07 -1.22 0.00 0.00 -2.04 0.00 0.00 64.34 61.15 2vni n VAL 109 Cb 0.49 0.94 0.00 0.00 -1.47 0.00 0.00 33.84 33.80 2vni n VAL 109 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2vni n GLY 110 N -0.50 3.53 0.38 7.63 0.00 -1.26 -0.56 105.19 114.41 2vni n GLY 110 Ca -0.04 -1.83 0.09 0.00 0.00 0.00 0.00 46.02 44.24 2vni n GLY 110 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2vni n THR 111 N -1.39 0.00 -1.76 2.61 -2.24 -1.26 -4.69 114.28 105.55 2vni n THR 111 Ca 0.00 -0.27 -0.34 0.00 -2.27 0.00 0.00 64.05 61.17 2vni n THR 111 Cb 0.00 1.20 -0.03 0.00 -2.10 0.00 0.00 70.33 69.40 2vni n THR 111 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2vni n LEU 112 N -0.24 7.35 -4.54 3.22 4.77 -1.26 -4.71 117.00 121.58 2vni n LEU 112 Ca 0.07 -4.51 -0.33 0.00 -0.03 0.00 0.00 56.01 51.21 2vni n LEU 112 Cb 0.39 -1.31 -0.12 0.00 -2.33 0.00 0.00 43.42 40.05 2vni n LEU 112 CO 0.26 1.92 -0.41 0.68 -1.33 0.00 0.00 177.39 178.51 2vni s VAL 113 N -1.55 3.42 0.42 4.08 -7.23 -1.26 -4.33 120.40 113.95 2vni s VAL 113 Ca 0.56 -0.67 0.13 0.00 -1.81 0.00 0.00 61.98 60.19 2vni s VAL 113 Cb 0.27 -2.40 0.33 0.00 0.56 0.00 0.00 36.38 35.13 2vni s VAL 113 CO -0.15 0.53 1.97 0.40 -0.31 0.00 0.00 175.10 177.54 2vni h ILE 114 N 4.14 0.89 0.00 -0.62 1.08 -1.92 -1.92 117.51 119.17 2vni h ILE 114 Ca -0.48 -0.16 0.00 0.00 -0.39 0.00 0.00 64.86 63.84 2vni h ILE 114 Cb 1.16 0.40 0.00 0.00 -3.07 0.00 0.00 36.82 35.31 2vni h ILE 114 CO 0.52 0.08 0.00 0.47 -0.69 0.00 0.00 178.15 178.53 2vni n ASP 115 N -4.47 0.57 -0.87 1.72 8.00 -1.26 -1.75 116.55 118.49 2vni n ASP 115 Ca 0.11 0.72 0.09 0.00 0.71 0.00 0.00 54.79 56.41 2vni n ASP 115 Cb 0.38 -0.81 0.25 0.00 -0.02 0.00 0.00 41.12 40.92 2vni n ASP 115 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2vni n ALA 116 N -1.76 2.44 -2.38 2.24 0.00 -0.72 -4.81 120.51 115.52 2vni n ALA 116 Ca -0.00 -0.81 -0.29 0.00 0.00 0.00 0.00 53.44 52.34 2vni n ALA 116 Cb 0.10 -0.98 -0.16 0.00 0.00 0.00 0.00 19.45 18.42 2vni n ALA 116 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2vni s LEU 117 N -1.16 2.05 0.52 0.00 1.43 -0.72 -3.29 118.68 117.51 2vni s LEU 117 Ca 0.33 -0.42 -0.21 0.00 -1.03 0.00 0.00 54.13 52.81 2vni s LEU 117 Cb 0.18 -1.18 -0.06 0.00 0.03 0.00 0.00 46.19 45.16 2vni s LEU 117 CO 0.24 0.28 1.17 -0.76 0.23 0.00 0.00 176.35 177.51 2vni s LEU 118 N -0.55 3.83 0.85 1.79 1.43 0.21 -4.83 118.68 121.41 2vni s LEU 118 Ca 0.09 2.30 -0.11 0.00 -1.03 0.00 0.00 54.13 55.38 2vni s LEU 118 Cb -0.09 -4.45 0.11 0.00 0.03 0.00 0.00 46.19 41.79 2vni s LEU 118 CO -0.01 -1.21 1.15 -2.16 0.23 0.00 0.00 176.35 174.35 2vni s PRO 119 N -3.07 1.47 0.00 1.29 0.04 -1.26 -4.96 135.00 128.51 2vni s PRO 119 Ca 0.70 1.51 0.00 0.00 0.04 0.00 0.00 61.00 63.26 2vni s PRO 119 Cb -0.28 -1.78 0.00 0.00 0.04 0.00 0.00 34.50 32.48 2vni s PRO 119 CO 0.32 -2.29 0.00 0.41 0.04 0.00 0.00 177.00 175.48 2vni n GLY 120 N -0.04 1.62 0.11 0.56 0.00 -1.25 -5.03 105.19 101.16 2vni n GLY 120 Ca 0.12 -0.77 -0.15 0.00 0.00 0.00 0.00 46.02 45.22 2vni n GLY 120 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2vni n LYS 121 N 0.00 0.52 -4.76 1.61 4.81 -0.82 -4.37 118.16 115.15 2vni n LYS 121 Ca 0.00 0.12 -0.31 0.00 -0.87 0.00 0.00 58.31 57.26 2vni n LYS 121 Cb 0.00 -1.41 -0.17 0.00 0.02 0.00 0.00 35.03 33.47 2vni n LYS 121 CO 0.00 0.00 0.00 0.50 1.17 0.00 0.00 177.40 179.07 2vni s ARG 122 N -2.42 2.75 -0.19 1.64 3.52 -0.25 -0.59 118.95 123.41 2vni s ARG 122 Ca -0.28 -0.76 -0.03 0.00 -0.13 0.00 0.00 55.73 54.53 2vni s ARG 122 Cb 0.07 -2.20 -0.01 0.00 -1.56 0.00 0.00 34.95 31.25 2vni s ARG 122 CO 0.48 0.03 -0.07 -1.17 -0.81 0.00 0.00 175.30 173.76 2vni s LEU 123 N 0.72 2.87 -0.07 -0.88 2.96 0.67 -0.48 118.68 124.48 2vni s LEU 123 Ca -0.11 -0.36 -0.03 0.00 -0.22 0.00 0.00 54.13 53.42 2vni s LEU 123 Cb -0.16 -1.71 -0.04 0.00 0.50 0.00 0.00 46.19 44.79 2vni s LEU 123 CO 0.01 0.04 0.08 0.26 -1.32 0.00 0.00 176.35 175.42 2vni s TRP 124 N 1.10 3.36 -0.24 5.38 0.52 0.22 -0.80 118.94 128.48 2vni s TRP 124 Ca 0.01 0.32 0.01 0.00 0.02 0.00 0.00 56.10 56.45 2vni s TRP 124 Cb -0.15 -1.83 0.04 0.00 -1.15 0.00 0.00 33.47 30.39 2vni s TRP 124 CO -0.01 0.59 -0.11 -0.06 0.02 0.00 0.00 176.95 177.38 2vni s PHE 125 N -1.04 3.08 -0.30 -1.98 2.99 0.65 -1.05 117.98 120.32 2vni s PHE 125 Ca 0.17 -1.86 -0.03 0.00 0.00 0.00 0.00 56.93 55.22 2vni s PHE 125 Cb -0.12 -1.98 0.04 0.00 0.00 0.00 0.00 43.02 40.96 2vni s PHE 125 CO 0.07 -0.80 0.02 -0.51 -0.00 0.00 0.00 175.22 173.99 2vni s LEU 126 N 1.24 3.93 0.04 -0.37 1.43 0.28 -0.94 118.68 124.29 2vni s LEU 126 Ca -0.02 -1.19 -0.02 0.00 -1.03 0.00 0.00 54.13 51.86 2vni s LEU 126 Cb -0.17 -1.75 -0.03 0.00 0.03 0.00 0.00 46.19 44.28 2vni s LEU 126 CO -0.06 -0.26 0.01 0.00 0.23 0.00 0.00 176.35 176.26 2vni s ALA 127 N 1.30 0.25 0.05 4.21 0.00 -0.53 -0.38 121.76 126.66 2vni s ALA 127 Ca -0.04 -0.88 0.04 0.00 0.00 0.00 0.00 51.96 51.07 2vni s ALA 127 Cb -0.19 0.25 -0.02 0.00 0.00 0.00 0.00 23.12 23.15 2vni s ALA 127 CO -0.00 -0.32 -0.11 0.95 0.00 0.00 0.00 175.76 176.28 2vni s THR 128 N -3.05 0.81 0.00 0.00 -4.23 -1.06 -1.12 115.64 106.99 2vni s THR 128 Ca -0.01 -1.12 0.00 0.00 -1.18 0.00 0.00 61.69 59.38 2vni s THR 128 Cb 0.02 -0.81 0.00 0.00 1.34 0.00 0.00 72.50 73.04 2vni s THR 128 CO -0.07 -0.26 0.00 0.61 -0.54 0.00 0.00 174.62 174.36 2vni n GLY 129 N 1.50 2.85 0.00 3.99 0.00 -1.15 -0.86 105.19 111.51 2vni n GLY 129 Ca -0.21 -0.19 0.09 0.00 0.00 0.00 0.00 46.02 45.71 2vni n GLY 129 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2vni n THR 130 N 0.00 0.38 0.15 2.61 -2.24 -1.26 -3.20 114.28 110.72 2vni n THR 130 Ca 0.00 0.09 0.02 0.00 -2.27 0.00 0.00 64.05 61.89 2vni n THR 130 Cb 0.00 -0.80 0.08 0.00 -2.10 0.00 0.00 70.33 67.52 2vni n THR 130 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2vni n GLY 131 N 0.24 -0.52 0.10 3.38 0.00 -0.04 -0.96 105.19 107.38 2vni n GLY 131 Ca 0.10 -0.01 0.13 0.00 0.00 0.00 0.00 46.02 46.23 2vni n GLY 131 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2vni n ILE 132 N -1.40 0.62 -0.12 -0.61 3.06 -1.19 -4.18 119.36 115.53 2vni n ILE 132 Ca 0.01 -0.18 -0.07 0.00 -2.50 0.00 0.00 62.75 60.02 2vni n ILE 132 Cb 0.04 -0.69 -0.01 0.00 0.54 0.00 0.00 39.64 39.52 2vni n ILE 132 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 2vni h ALA 133 N 2.50 -0.11 0.00 1.51 0.00 -1.35 0.16 119.26 121.97 2vni h ALA 133 Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2vni h ALA 133 Cb 0.66 0.66 0.00 0.00 0.00 0.00 0.00 17.79 19.11 2vni h ALA 133 CO 0.00 -0.68 0.00 -1.00 0.00 0.00 0.00 179.25 177.57 2vni h PRO 134 N -0.22 0.00 0.00 0.00 0.13 -1.81 -1.93 132.00 128.17 2vni h PRO 134 Ca 0.18 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.28 2vni h PRO 134 Cb 0.52 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.64 2vni h PRO 134 CO -0.54 0.00 -1.41 1.19 -0.23 0.00 0.00 178.00 177.01 2vni n PHE 135 N -2.39 0.64 0.19 1.56 0.99 -0.22 -1.83 117.46 116.40 2vni n PHE 135 Ca 0.01 0.19 0.04 0.00 -0.00 0.00 0.00 57.45 57.70 2vni n PHE 135 Cb 0.20 -0.84 0.47 0.00 -1.00 0.00 0.00 39.48 38.31 2vni n PHE 135 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 2vni h ALA 136 N 1.89 1.65 0.00 4.37 0.00 0.04 0.26 119.26 127.47 2vni h ALA 136 Ca -0.04 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 2vni h ALA 136 Cb 1.12 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 2vni h ALA 136 CO 0.01 0.26 -0.01 1.03 0.00 0.00 0.00 179.25 180.54 2vni h SER 137 N 0.08 0.00 0.23 0.00 0.87 -1.21 -3.34 113.55 110.19 2vni h SER 137 Ca 0.02 -0.59 -0.03 0.00 -1.23 0.00 0.00 61.79 59.95 2vni h SER 137 Cb 0.32 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.28 2vni h SER 137 CO 0.02 0.80 -0.16 -0.07 -0.53 0.00 0.00 176.83 176.89 2vni h LEU 138 N -1.00 0.00 -1.35 2.23 3.38 -1.18 -1.67 115.31 115.71 2vni h LEU 138 Ca -0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 2vni h LEU 138 Cb 0.60 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.34 2vni h LEU 138 CO -0.00 0.16 -0.08 0.24 0.09 0.00 0.00 178.44 178.85 2vni h MET 139 N 0.00 0.00 -0.51 1.13 2.86 -0.65 -2.20 114.93 115.56 2vni h MET 139 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2vni h MET 139 Cb 0.33 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.99 2vni h MET 139 CO 0.02 0.08 0.00 0.54 1.06 0.00 0.00 176.91 178.61 2vni n ARG 140 N -3.21 3.41 -3.43 1.72 1.74 -0.66 -4.90 116.66 111.32 2vni n ARG 140 Ca 0.00 -2.71 -0.42 0.00 -0.77 0.00 0.00 57.85 53.95 2vni n ARG 140 Cb 0.34 -1.76 -0.10 0.00 -1.02 0.00 0.00 32.46 29.93 2vni n ARG 140 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 2vni s GLU 141 N -1.86 3.20 0.29 5.56 2.56 -0.83 -4.80 118.70 122.82 2vni s GLU 141 Ca 0.44 -0.79 0.04 0.00 0.00 0.00 0.00 54.97 54.65 2vni s GLU 141 Cb 0.29 -3.92 0.75 0.00 2.00 0.00 0.00 34.13 33.25 2vni s GLU 141 CO 0.20 -0.68 1.67 -1.35 -0.56 0.00 0.00 175.26 174.54 2vni h PRO 142 N 8.60 0.28 -0.88 4.30 0.11 -1.90 -1.23 132.00 141.27 2vni h PRO 142 Ca -0.28 -0.02 0.20 0.00 0.11 0.00 0.00 66.00 66.01 2vni h PRO 142 Cb 1.13 -0.06 -0.06 0.00 0.11 0.00 0.00 31.00 32.11 2vni h PRO 142 CO 0.72 0.18 0.59 1.49 -0.21 0.00 0.00 178.00 180.77 2vni h GLU 143 N 0.28 0.40 -0.97 1.05 4.81 -1.94 -1.11 114.58 117.11 2vni h GLU 143 Ca 0.57 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.78 2vni h GLU 143 Cb 1.14 -0.09 -0.05 0.00 0.63 0.00 0.00 28.75 30.38 2vni h GLU 143 CO -0.60 0.27 0.62 0.00 -0.73 0.00 0.00 179.01 178.56 2vni h ALA 144 N 1.61 1.23 -0.00 2.92 0.00 -1.50 -0.64 119.26 122.87 2vni h ALA 144 Ca 0.46 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.29 2vni h ALA 144 Cb 1.13 -0.39 0.00 0.00 0.00 0.00 0.00 17.79 18.52 2vni h ALA 144 CO -0.17 0.64 -0.16 0.66 0.00 0.00 0.00 179.25 180.23 2vni n TYR 145 N -4.38 0.00 0.05 0.00 4.01 -0.45 -2.59 117.16 113.79 2vni n TYR 145 Ca 0.11 0.00 0.07 0.00 -0.16 0.00 0.00 57.90 57.92 2vni n TYR 145 Cb 0.03 -0.29 -0.10 0.00 -0.31 0.00 0.00 39.34 38.67 2vni n TYR 145 CO 0.00 0.00 0.00 -0.85 -0.46 0.00 0.00 176.86 175.55 2vni n GLU 146 N -1.24 0.59 0.00 -0.72 0.28 -0.96 -4.43 120.64 114.17 2vni n GLU 146 Ca 0.10 -0.12 0.10 0.00 -0.16 0.00 0.00 57.16 57.09 2vni n GLU 146 Cb 0.30 -1.31 -0.02 0.00 1.43 0.00 0.00 31.44 31.84 2vni n GLU 146 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 2vni n LYS 147 N -1.92 1.21 -3.84 3.44 4.81 -0.29 -4.94 118.16 116.63 2vni n LYS 147 Ca -0.02 -0.76 -0.12 0.00 -0.87 0.00 0.00 58.31 56.54 2vni n LYS 147 Cb 0.35 -1.42 -0.11 0.00 0.02 0.00 0.00 35.03 33.87 2vni n LYS 147 CO 0.00 0.00 0.00 -0.06 1.17 0.00 0.00 177.40 178.51 2vni s PHE 148 N -2.40 -0.08 0.01 5.64 0.08 -1.07 -3.95 117.98 116.21 2vni s PHE 148 Ca 0.15 0.16 0.11 0.00 0.12 0.00 0.00 56.93 57.47 2vni s PHE 148 Cb 0.16 0.01 -0.18 0.00 -0.57 0.00 0.00 43.02 42.44 2vni s PHE 148 CO 0.57 -0.20 1.04 -0.44 -0.10 0.00 0.00 175.22 176.10 2vni h ASP 149 N 5.01 0.00 -3.92 1.36 3.32 -1.07 -3.39 116.42 117.73 2vni h ASP 149 Ca -0.28 0.00 -0.35 0.00 0.02 0.00 0.00 57.03 56.42 2vni h ASP 149 Cb 1.20 0.00 -0.29 0.00 0.22 0.00 0.00 39.33 40.46 2vni h ASP 149 CO 0.40 0.91 -0.76 -1.61 -1.72 0.00 0.00 179.24 176.46 2vni s GLU 150 N -2.72 0.55 -0.19 3.56 2.02 -0.35 -4.72 118.70 116.86 2vni s GLU 150 Ca -0.01 -0.22 0.01 0.00 0.02 0.00 0.00 54.97 54.77 2vni s GLU 150 Cb 0.09 -0.53 0.03 0.00 0.10 0.00 0.00 34.13 33.82 2vni s GLU 150 CO 0.81 0.13 -0.14 0.08 0.02 0.00 0.00 175.26 176.16 2vni s VAL 151 N -0.08 1.78 -0.25 2.63 1.01 0.20 -0.24 120.40 125.45 2vni s VAL 151 Ca 0.02 -0.96 -0.08 0.00 0.00 0.00 0.00 61.98 60.96 2vni s VAL 151 Cb -0.03 -1.75 -0.03 0.00 0.00 0.00 0.00 36.38 34.57 2vni s VAL 151 CO -0.00 0.31 0.09 -0.63 0.00 0.00 0.00 175.10 174.86 2vni s ILE 152 N 1.36 4.43 -0.46 2.22 -1.09 0.02 -0.63 121.20 127.05 2vni s ILE 152 Ca 0.01 -0.13 -0.11 0.00 -2.23 0.00 0.00 60.65 58.19 2vni s ILE 152 Cb -0.15 -3.08 0.10 0.00 -1.58 0.00 0.00 42.46 37.75 2vni s ILE 152 CO -0.10 0.33 0.34 -0.32 -1.23 0.00 0.00 174.94 173.96 2vni s MET 153 N 1.63 2.63 -0.35 2.79 -2.45 -0.07 -0.26 119.30 123.22 2vni s MET 153 Ca 0.06 -1.62 -0.13 0.00 -1.25 0.00 0.00 55.69 52.76 2vni s MET 153 Cb -0.15 -3.94 -0.01 0.00 1.25 0.00 0.00 34.83 31.98 2vni s MET 153 CO 0.05 -1.12 0.24 -1.64 1.05 0.00 0.00 175.02 173.60 2vni s MET 154 N 1.44 3.33 -0.18 4.11 -1.94 -0.12 -0.20 119.30 125.74 2vni s MET 154 Ca 0.04 -0.75 0.01 0.00 -1.71 0.00 0.00 55.69 53.28 2vni s MET 154 Cb -0.25 -3.81 0.03 0.00 2.01 0.00 0.00 34.83 32.81 2vni s MET 154 CO 0.01 -0.52 -0.17 -1.58 -0.01 0.00 0.00 175.02 172.76 2vni s HIS 155 N 1.69 2.63 -0.16 -0.03 2.46 -1.11 -1.45 115.29 119.32 2vni s HIS 155 Ca 0.05 -1.58 -0.01 0.00 0.47 0.00 0.00 55.06 54.00 2vni s HIS 155 Cb -0.18 -1.82 -0.01 0.00 -0.13 0.00 0.00 32.58 30.45 2vni s HIS 155 CO 0.10 -0.77 -0.13 0.00 -2.47 0.00 0.00 174.74 171.46 2vni s ALA 156 N 1.34 2.58 0.23 1.58 0.00 -0.27 -0.85 121.76 126.36 2vni s ALA 156 Ca 0.04 -1.03 0.01 0.00 0.00 0.00 0.00 51.96 50.97 2vni s ALA 156 Cb -0.14 -1.31 -0.05 0.00 0.00 0.00 0.00 23.12 21.63 2vni s ALA 156 CO -0.11 -0.04 0.08 0.00 0.00 0.00 0.00 175.76 175.68 2vni h ARG 158 N 2.51 0.55 -5.68 0.00 3.08 -1.94 -1.88 114.38 111.01 2vni h ARG 158 Ca -0.37 -0.35 -0.62 0.00 0.07 0.00 0.00 59.98 58.71 2vni h ARG 158 Cb 1.24 0.04 -0.12 0.00 0.08 0.00 0.00 29.97 31.20 2vni h ARG 158 CO 0.60 0.96 -0.58 0.95 -1.07 0.00 0.00 179.97 180.83 2vni s THR 159 N -4.07 2.02 0.21 2.04 -4.23 -1.26 -2.09 115.64 108.25 2vni s THR 159 Ca -0.13 -1.95 -0.00 0.00 -1.18 0.00 0.00 61.69 58.43 2vni s THR 159 Cb 0.07 -2.97 -0.05 0.00 1.34 0.00 0.00 72.50 70.89 2vni s THR 159 CO 0.81 0.00 1.52 0.58 -0.54 0.00 0.00 174.62 176.99 2vni h VAL 160 N 1.70 1.35 -0.61 2.29 2.07 -1.91 -3.22 116.25 117.92 2vni h VAL 160 Ca -0.44 -1.87 -0.05 0.00 0.82 0.00 0.00 66.70 65.16 2vni h VAL 160 Cb 1.24 1.87 -0.03 0.00 -1.52 0.00 0.00 31.29 32.86 2vni h VAL 160 CO 0.79 0.57 0.19 0.00 0.02 0.00 0.00 177.57 179.14 2vni h ALA 161 N 1.05 1.18 0.00 1.67 0.00 -1.97 -2.22 119.26 118.97 2vni h ALA 161 Ca -0.00 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2vni h ALA 161 Cb 1.11 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.65 2vni h ALA 161 CO 0.10 0.57 0.00 0.39 0.00 0.00 0.00 179.25 180.31 2vni n GLU 162 N -4.28 0.06 0.01 0.00 1.02 -1.21 -1.90 120.64 114.34 2vni n GLU 162 Ca 0.05 0.26 0.11 0.00 -0.02 0.00 0.00 57.16 57.55 2vni n GLU 162 Cb 0.21 -1.50 -0.02 0.00 -0.02 0.00 0.00 31.44 30.11 2vni n GLU 162 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2vni n LEU 163 N -1.43 0.73 -0.02 -4.62 4.77 -0.84 -4.61 117.00 110.99 2vni n LEU 163 Ca 0.04 -0.25 -0.10 0.00 -0.03 0.00 0.00 56.01 55.67 2vni n LEU 163 Cb 0.12 -0.07 -0.04 0.00 -2.33 0.00 0.00 43.42 41.11 2vni n LEU 163 CO 0.10 0.16 0.65 -0.08 -1.33 0.00 0.00 177.39 176.89 2vni h GLU 164 N 0.00 -0.35 -0.54 3.23 4.57 -1.41 -0.39 114.58 119.69 2vni h GLU 164 Ca 0.00 0.02 0.11 0.00 -1.18 0.00 0.00 59.36 58.31 2vni h GLU 164 Cb 0.60 0.08 -0.10 0.00 -0.16 0.00 0.00 28.75 29.17 2vni h GLU 164 CO 0.00 -0.23 -0.12 -0.92 -1.18 0.00 0.00 179.01 176.56 2vni h TYR 165 N -0.36 -0.25 -0.66 0.92 3.20 -1.81 0.13 116.97 118.13 2vni h TYR 165 Ca 0.11 0.05 -0.07 0.00 3.14 0.00 0.00 58.73 61.96 2vni h TYR 165 Cb 0.54 0.20 -0.03 0.00 1.54 0.00 0.00 36.73 38.97 2vni h TYR 165 CO -0.42 -0.22 0.16 0.78 -1.64 0.00 0.00 178.16 176.82 2vni h GLY 166 N 0.02 1.14 0.99 1.82 0.00 -1.77 -2.16 103.07 103.10 2vni h GLY 166 Ca 0.26 -0.72 -0.01 0.00 0.00 0.00 0.00 47.33 46.86 2vni h GLY 166 CO -0.55 0.67 -0.13 -0.09 0.00 0.00 0.00 176.54 176.45 2vni h ARG 167 N 0.98 -0.34 -0.89 4.80 2.43 0.61 0.50 114.38 122.48 2vni h ARG 167 Ca 0.21 0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.43 2vni h ARG 167 Cb 0.37 0.08 -0.05 0.00 -0.42 0.00 0.00 29.97 29.94 2vni h ARG 167 CO 0.00 -0.21 0.58 1.96 -1.51 0.00 0.00 179.97 180.79 2vni h GLN 168 N -0.37 1.11 0.42 0.20 4.20 -0.81 0.44 115.11 120.30 2vni h GLN 168 Ca -0.04 -0.07 -0.02 0.00 0.06 0.00 0.00 58.65 58.59 2vni h GLN 168 Cb 0.28 -0.25 0.00 0.00 0.30 0.00 0.00 27.48 27.82 2vni h GLN 168 CO 0.06 0.73 -0.20 1.25 -0.67 0.00 0.00 178.83 180.00 2vni h LEU 169 N 1.14 -0.47 -0.81 1.46 6.46 -1.16 -0.73 115.31 121.20 2vni h LEU 169 Ca 0.35 -0.01 0.04 0.00 -0.12 0.00 0.00 57.88 58.13 2vni h LEU 169 Cb -0.03 0.12 -0.05 0.00 -0.73 0.00 0.00 40.66 39.97 2vni h LEU 169 CO -0.11 -0.30 0.51 0.58 -0.62 0.00 0.00 178.44 178.51 2vni h VAL 170 N -0.61 1.10 -0.28 1.05 2.07 -0.44 -2.58 116.25 116.56 2vni h VAL 170 Ca -0.06 -0.34 0.01 0.00 0.82 0.00 0.00 66.70 67.14 2vni h VAL 170 Cb 0.46 0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.24 2vni h VAL 170 CO 0.09 0.18 0.15 -0.08 0.02 0.00 0.00 177.57 177.93 2vni h GLU 171 N 0.98 0.30 0.00 1.57 4.81 0.08 -2.41 114.58 119.92 2vni h GLU 171 Ca 0.33 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.54 2vni h GLU 171 Cb 0.05 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.36 2vni h GLU 171 CO -0.13 0.20 -0.02 0.00 -0.73 0.00 0.00 179.01 178.34 2vni h ALA 172 N 1.13 1.75 0.07 2.92 0.00 -0.75 -0.86 119.26 123.53 2vni h ALA 172 Ca 0.11 -0.01 -0.28 0.00 0.00 0.00 0.00 54.91 54.73 2vni h ALA 172 Cb 0.02 -0.00 0.02 0.00 0.00 0.00 0.00 17.79 17.82 2vni h ALA 172 CO -0.06 0.02 -1.15 -0.07 0.00 0.00 0.00 179.25 177.99 2vni h LEU 173 N 0.00 0.81 -0.11 0.00 3.38 -1.14 -2.60 115.31 115.66 2vni h LEU 173 Ca -0.00 -0.71 0.00 0.00 0.09 0.00 0.00 57.88 57.26 2vni h LEU 173 Cb 0.03 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.53 2vni h LEU 173 CO 0.00 1.52 0.00 1.56 0.09 0.00 0.00 178.44 181.61 2vni h GLN 174 N 0.29 0.00 0.00 1.13 4.20 -0.92 -3.19 115.11 116.62 2vni h GLN 174 Ca -0.15 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.56 2vni h GLN 174 Cb 1.81 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.59 2vni h GLN 174 CO 0.22 0.00 -1.17 0.39 -0.67 0.00 0.00 178.83 177.59 2vni n GLU 175 N -2.50 0.29 -1.66 1.46 4.71 -0.39 -4.26 120.64 118.29 2vni n GLU 175 Ca 0.05 -0.04 -0.54 0.00 -0.01 0.00 0.00 57.16 56.62 2vni n GLU 175 Cb 0.44 -1.48 -0.06 0.00 -1.01 0.00 0.00 31.44 29.33 2vni n GLU 175 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 177.13 173.75 2vni n ASP 176 N -1.64 2.31 -0.34 1.62 2.03 -0.98 -4.72 116.55 114.84 2vni n ASP 176 Ca 0.02 1.08 0.16 0.00 0.52 0.00 0.00 54.79 56.57 2vni n ASP 176 Cb 0.37 -1.21 0.38 0.00 -0.72 0.00 0.00 41.12 39.94 2vni n ASP 176 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 2vni h PRO 177 N 6.45 0.61 0.10 -0.67 0.11 -1.92 0.96 132.00 137.64 2vni h PRO 177 Ca -0.47 -0.04 -0.29 0.00 0.11 0.00 0.00 66.00 65.31 2vni h PRO 177 Cb 1.31 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 2vni h PRO 177 CO 0.89 0.40 -1.53 -0.07 -0.21 0.00 0.00 178.00 177.48 2vni h LEU 178 N 0.63 0.35 -1.67 2.35 4.07 -1.97 -3.42 115.31 115.65 2vni h LEU 178 Ca 0.61 -0.83 0.00 0.00 0.08 0.00 0.00 57.88 57.73 2vni h LEU 178 Cb 1.13 -0.11 0.00 0.00 1.08 0.00 0.00 40.66 42.75 2vni h LEU 178 CO -0.41 1.66 0.00 2.30 -1.08 0.00 0.00 178.44 180.91 2vni n ILE 179 N -3.88 0.34 0.33 1.22 -5.35 -1.18 -4.69 119.36 106.15 2vni n ILE 179 Ca -0.27 -0.66 0.17 0.00 -0.27 0.00 0.00 62.75 61.72 2vni n ILE 179 Cb 0.91 0.84 0.93 0.00 -1.74 0.00 0.00 39.64 40.58 2vni n ILE 179 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 2vni h GLY 180 N 0.00 0.00 0.00 3.28 0.00 0.97 0.85 103.07 108.17 2vni h GLY 180 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.11 2vni h GLY 180 CO 0.00 0.00 -2.09 -1.84 0.00 0.00 0.00 176.54 172.61 2vni n GLU 181 N -2.93 0.99 -0.10 4.80 0.28 -1.26 -3.38 120.64 119.05 2vni n GLU 181 Ca -0.02 -0.06 -0.12 0.00 -0.16 0.00 0.00 57.16 56.80 2vni n GLU 181 Cb 0.29 -1.45 -0.04 0.00 1.43 0.00 0.00 31.44 31.67 2vni n GLU 181 CO 0.00 0.00 0.00 1.25 -0.16 0.00 0.00 177.13 178.22 2vni h LEU 182 N 0.00 0.68 0.39 -1.84 5.85 -1.32 -3.27 115.31 115.79 2vni h LEU 182 Ca -0.33 -0.43 -0.02 0.00 0.84 0.00 0.00 57.88 57.94 2vni h LEU 182 Cb 1.72 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 42.56 2vni h LEU 182 CO 0.02 0.96 -0.19 0.58 -0.34 0.00 0.00 178.44 179.47 2vni h VAL 183 N 0.39 0.41 -2.03 1.05 2.07 -1.13 -3.39 116.25 113.63 2vni h VAL 183 Ca 0.06 -0.64 -0.64 0.00 0.82 0.00 0.00 66.70 66.30 2vni h VAL 183 Cb 0.73 0.62 0.09 0.00 -1.52 0.00 0.00 31.29 31.22 2vni h VAL 183 CO 0.05 0.08 0.11 1.21 0.02 0.00 0.00 177.57 179.05 2vni n GLU 184 N -5.15 1.08 0.00 1.57 0.00 -1.22 0.67 120.64 117.59 2vni n GLU 184 Ca -0.09 0.38 0.00 0.00 0.00 0.00 0.00 57.16 57.45 2vni n GLU 184 Cb 0.28 -1.77 0.00 0.00 0.00 0.00 0.00 31.44 29.95 2vni n GLU 184 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2vni n GLY 185 N 1.68 2.77 0.08 8.31 0.00 -1.26 -4.66 105.19 112.10 2vni n GLY 185 Ca 0.13 -0.13 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 2vni n GLY 185 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2vni n LYS 186 N 0.00 0.86 -3.99 1.61 5.02 0.21 -4.89 118.16 116.98 2vni n LYS 186 Ca 0.00 -0.04 -0.35 0.00 -2.02 0.00 0.00 58.31 55.90 2vni n LYS 186 Cb 0.00 -1.48 -0.14 0.00 -0.02 0.00 0.00 35.03 33.39 2vni n LYS 186 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 2vni s LEU 187 N -5.20 2.97 -0.24 -0.35 0.20 0.28 -0.63 118.68 115.71 2vni s LEU 187 Ca -0.09 -0.34 -0.04 0.00 0.69 0.00 0.00 54.13 54.35 2vni s LEU 187 Cb 0.07 -1.75 0.01 0.00 -0.43 0.00 0.00 46.19 44.08 2vni s LEU 187 CO 0.79 0.01 -0.03 -0.54 -0.29 0.00 0.00 176.35 176.28 2vni s LYS 188 N 1.32 3.16 -0.26 1.98 1.02 0.20 -4.72 119.74 122.45 2vni s LYS 188 Ca 0.04 -0.77 -0.15 0.00 0.02 0.00 0.00 55.97 55.11 2vni s LYS 188 Cb -0.14 -3.05 -0.04 0.00 -0.52 0.00 0.00 37.83 34.08 2vni s LYS 188 CO -0.01 -0.30 0.38 -0.47 -0.92 0.00 0.00 175.35 174.03 2vni s TYR 189 N 1.43 3.26 -0.63 3.18 5.04 -1.26 -0.90 117.35 127.48 2vni s TYR 189 Ca 0.04 0.44 0.05 0.00 -2.44 0.00 0.00 57.07 55.16 2vni s TYR 189 Cb -0.15 -2.57 0.19 0.00 0.35 0.00 0.00 41.96 39.78 2vni s TYR 189 CO -0.03 -0.21 0.54 0.98 -1.34 0.00 0.00 175.55 175.49 2vni n TYR 190 N 5.24 2.53 -3.00 4.97 9.36 0.72 -4.96 117.16 132.01 2vni n TYR 190 Ca -0.08 -4.09 -0.36 0.00 3.32 0.00 0.00 57.90 56.69 2vni n TYR 190 Cb 0.51 -0.46 -0.06 0.00 -0.63 0.00 0.00 39.34 38.69 2vni n TYR 190 CO 0.00 0.00 0.00 -1.25 0.22 0.00 0.00 176.86 175.83 2vni s PRO 191 N -1.48 4.36 0.04 2.98 0.04 -1.26 -2.75 135.00 136.93 2vni s PRO 191 Ca 0.30 1.01 -0.02 0.00 0.04 0.00 0.00 61.00 62.33 2vni s PRO 191 Cb 0.03 -2.87 -0.03 0.00 0.04 0.00 0.00 34.50 31.67 2vni s PRO 191 CO -0.13 0.37 0.02 0.95 0.04 0.00 0.00 177.00 178.24 2vni s THR 192 N -1.53 0.17 0.28 1.26 -4.23 -0.03 -4.69 115.64 106.87 2vni s THR 192 Ca 0.45 -1.37 0.11 0.00 -1.18 0.00 0.00 61.69 59.70 2vni s THR 192 Cb -0.17 -1.05 -0.05 0.00 1.34 0.00 0.00 72.50 72.56 2vni s THR 192 CO 0.22 -0.76 -0.15 0.42 -0.54 0.00 0.00 174.62 173.81 2vni s THR 193 N -3.00 2.66 0.00 3.99 -4.23 -1.14 -2.16 115.64 111.76 2vni s THR 193 Ca -0.02 -2.29 0.00 0.00 -1.18 0.00 0.00 61.69 58.21 2vni s THR 193 Cb 0.01 -2.44 0.00 0.00 1.34 0.00 0.00 72.50 71.41 2vni s THR 193 CO -0.07 -0.38 0.16 0.35 -0.54 0.00 0.00 174.62 174.15 2vni n THR 194 N -0.69 0.00 0.02 3.99 -2.24 -0.71 -1.87 114.28 112.77 2vni n THR 194 Ca -0.05 -0.46 -0.00 0.00 -2.27 0.00 0.00 64.05 61.27 2vni n THR 194 Cb 0.60 1.03 -0.00 0.00 -2.10 0.00 0.00 70.33 69.86 2vni n THR 194 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2vni n ARG 195 N -0.59 0.00 -2.41 -0.78 3.00 -0.89 -4.92 116.66 110.07 2vni n ARG 195 Ca 0.00 0.00 -0.36 0.00 -0.01 0.00 0.00 57.85 57.48 2vni n ARG 195 Cb 0.01 -0.17 -0.02 0.00 0.00 0.00 0.00 32.46 32.27 2vni n ARG 195 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.63 175.63 2vni s GLU 196 N -1.33 3.78 0.34 5.56 2.12 -0.98 -4.99 118.70 123.21 2vni s GLU 196 Ca -0.00 1.56 -0.29 0.00 0.36 0.00 0.00 54.97 56.61 2vni s GLU 196 Cb 0.00 -2.27 -0.11 0.00 0.26 0.00 0.00 34.13 32.01 2vni s GLU 196 CO 0.00 -0.48 1.46 -2.00 -0.54 0.00 0.00 175.26 173.70 2vni s GLU 197 N -2.92 4.17 -0.17 4.30 2.56 -1.26 -4.78 118.70 120.60 2vni s GLU 197 Ca 0.65 2.48 -0.29 0.00 0.00 0.00 0.00 54.97 57.81 2vni s GLU 197 Cb -0.23 -3.01 0.11 0.00 2.00 0.00 0.00 34.13 33.01 2vni s GLU 197 CO 0.27 -0.47 0.94 0.12 -0.56 0.00 0.00 175.26 175.57 2vni s PHE 198 N -0.86 -0.46 0.66 5.30 5.36 -1.26 -4.93 117.98 121.80 2vni s PHE 198 Ca 0.54 0.87 0.30 0.00 -0.96 0.00 0.00 56.93 57.68 2vni s PHE 198 Cb -0.45 0.42 1.62 0.00 -0.34 0.00 0.00 43.02 44.27 2vni s PHE 198 CO 0.57 -0.36 1.92 1.12 -1.46 0.00 0.00 175.22 177.00 2vni h HIS 199 N 3.06 0.00 -3.29 10.12 2.07 -1.96 -3.37 115.15 121.79 2vni h HIS 199 Ca -0.22 0.00 -0.41 0.00 -2.85 0.00 0.00 60.37 56.88 2vni h HIS 199 Cb 1.16 0.00 -0.38 0.00 2.57 0.00 0.00 27.41 30.76 2vni h HIS 199 CO 0.32 0.00 -0.76 -1.01 -3.07 0.00 0.00 177.93 173.41 2vni s HIS 200 N -4.13 0.51 0.37 6.12 3.76 -1.26 -5.15 115.29 115.51 2vni s HIS 200 Ca -0.03 -0.06 0.02 0.00 -0.15 0.00 0.00 55.06 54.83 2vni s HIS 200 Cb 0.09 -0.70 -0.01 0.00 1.11 0.00 0.00 32.58 33.08 2vni s HIS 200 CO 0.29 -0.28 0.06 -1.33 -0.85 0.00 0.00 174.74 172.64 2vni n MET 201 N 5.08 0.81 0.00 1.40 0.00 -1.26 -2.90 117.12 120.25 2vni n MET 201 Ca -0.08 -2.93 0.00 0.00 0.00 0.00 0.00 57.70 54.69 2vni n MET 201 Cb 0.50 1.20 0.00 0.00 0.00 0.00 0.00 33.22 34.92 2vni n MET 201 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2vni n GLY 202 N -0.12 1.91 3.74 3.03 0.00 -0.78 -4.81 105.19 108.16 2vni n GLY 202 Ca -0.11 -1.68 -0.33 0.00 0.00 0.00 0.00 46.02 43.90 2vni n GLY 202 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2vni s ARG 203 N -4.23 2.35 0.11 1.61 0.52 -1.26 -4.69 118.95 113.36 2vni s ARG 203 Ca 0.00 1.58 -0.21 0.00 -0.52 0.00 0.00 55.73 56.58 2vni s ARG 203 Cb 0.00 -1.88 -0.08 0.00 0.52 0.00 0.00 34.95 33.51 2vni s ARG 203 CO 0.00 -1.63 1.73 0.82 0.02 0.00 0.00 175.30 176.24 2vni h ILE 204 N -0.28 0.93 -0.06 1.52 1.08 -1.96 -1.45 117.51 117.29 2vni h ILE 204 Ca -0.47 -0.02 0.04 0.00 -0.39 0.00 0.00 64.86 64.02 2vni h ILE 204 Cb 1.27 0.86 -0.05 0.00 -3.07 0.00 0.00 36.82 35.83 2vni h ILE 204 CO 0.51 0.01 -0.25 0.71 -0.69 0.00 0.00 178.15 178.44 2vni h THR 205 N 0.06 0.41 -0.65 -0.27 1.35 -1.94 -1.20 112.91 110.68 2vni h THR 205 Ca 0.06 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.92 2vni h THR 205 Cb 0.06 0.41 -0.03 0.00 -1.73 0.00 0.00 68.15 66.86 2vni h THR 205 CO -0.09 0.00 0.42 0.44 -0.25 0.00 0.00 175.52 176.04 2vni h ASP 206 N -0.36 0.75 1.00 5.36 3.32 -1.90 0.01 116.42 124.60 2vni h ASP 206 Ca 0.08 -0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.10 2vni h ASP 206 Cb 0.47 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 39.84 2vni h ASP 206 CO -0.27 0.55 -0.03 0.78 -1.72 0.00 0.00 179.24 178.56 2vni h ASN 207 N 0.88 0.00 0.14 6.45 2.35 -0.99 -1.02 115.58 123.39 2vni h ASN 207 Ca 0.24 0.00 -0.30 0.00 -0.55 0.00 0.00 56.30 55.69 2vni h ASN 207 Cb -0.08 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.29 2vni h ASN 207 CO -0.05 0.03 -1.50 -0.07 -1.65 0.00 0.00 177.43 174.18 2vni h LEU 208 N 0.00 0.47 0.12 1.61 3.38 -0.75 -2.54 115.31 117.61 2vni h LEU 208 Ca -0.00 -0.89 -0.01 0.00 0.09 0.00 0.00 57.88 57.07 2vni h LEU 208 Cb 0.53 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.13 2vni h LEU 208 CO 0.00 1.67 -0.06 0.00 0.09 0.00 0.00 178.44 180.14 2vni h ALA 209 N 0.01 -0.16 0.00 1.53 0.00 -0.84 -2.90 119.26 116.90 2vni h ALA 209 Ca -0.31 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.49 2vni h ALA 209 Cb 1.87 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.73 2vni h ALA 209 CO 0.11 -0.51 0.00 0.66 0.00 0.00 0.00 179.25 179.51 2vni h SER 210 N -0.33 0.00 0.00 0.00 4.64 -1.37 -3.46 113.55 113.03 2vni h SER 210 Ca -0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 2vni h SER 210 Cb 0.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 2vni h SER 210 CO 0.03 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.60 2vni n GLY 211 N 0.09 0.76 0.27 -0.77 0.00 -1.10 -4.94 105.19 99.50 2vni n GLY 211 Ca 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.03 2vni n GLY 211 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2vni h LYS 212 N 2.69 0.67 -0.56 1.61 3.64 -1.77 -2.08 116.57 120.76 2vni h LYS 212 Ca 0.00 -0.04 -0.07 0.00 -1.27 0.00 0.00 60.65 59.27 2vni h LYS 212 Cb 0.00 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.65 2vni h LYS 212 CO 0.00 0.44 0.08 -0.24 -2.27 0.00 0.00 179.45 177.46 2vni h VAL 213 N 0.69 1.24 -0.62 2.00 3.04 -1.83 0.30 116.25 121.07 2vni h VAL 213 Ca 0.33 -0.95 -0.04 0.00 -1.01 0.00 0.00 66.70 65.03 2vni h VAL 213 Cb 0.25 0.73 -0.03 0.00 -2.01 0.00 0.00 31.29 30.23 2vni h VAL 213 CO -0.21 0.35 0.23 -0.26 -1.01 0.00 0.00 177.57 176.66 2vni h PHE 214 N 0.86 0.94 0.35 3.17 0.04 -1.70 -2.18 116.94 118.42 2vni h PHE 214 Ca 0.18 -0.06 -0.02 0.00 2.80 0.00 0.00 57.97 60.86 2vni h PHE 214 Cb 0.39 -0.28 0.00 0.00 2.20 0.00 0.00 35.95 38.26 2vni h PHE 214 CO 0.02 0.73 -0.17 1.49 -0.60 0.00 0.00 178.31 179.79 2vni h GLU 215 N 0.90 -0.45 -0.35 1.51 4.81 -0.66 -0.56 114.58 119.78 2vni h GLU 215 Ca 0.21 0.03 0.05 0.00 -0.13 0.00 0.00 59.36 59.52 2vni h GLU 215 Cb 0.21 0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.68 2vni h GLU 215 CO -0.01 -0.14 0.24 -0.44 -0.73 0.00 0.00 179.01 177.92 2vni h ASP 216 N -0.82 0.22 0.13 1.04 3.32 -0.34 -1.53 116.42 118.44 2vni h ASP 216 Ca -0.05 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.00 2vni h ASP 216 Cb 0.53 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.03 2vni h ASP 216 CO 0.08 0.14 -0.33 0.18 -1.72 0.00 0.00 179.24 177.60 2vni n LEU 217 N -4.48 1.44 -3.35 1.55 4.77 -0.83 -4.98 117.00 111.12 2vni n LEU 217 Ca 0.04 -0.46 -0.16 0.00 -0.03 0.00 0.00 56.01 55.39 2vni n LEU 217 Cb 0.24 -0.07 0.08 0.00 -2.33 0.00 0.00 43.42 41.34 2vni n LEU 217 CO 0.35 0.27 0.09 0.61 -1.33 0.00 0.00 177.39 177.38 2vni n GLY 218 N 1.36 -0.50 3.24 -0.72 0.00 -0.58 -5.03 105.19 102.97 2vni n GLY 218 Ca 0.11 0.19 -0.14 0.00 0.00 0.00 0.00 46.02 46.18 2vni n GLY 218 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2vni s ILE 219 N -3.36 1.08 0.69 -0.61 -4.36 -0.31 -5.05 121.20 109.28 2vni s ILE 219 Ca 0.09 -2.04 -0.13 0.00 -0.26 0.00 0.00 60.65 58.31 2vni s ILE 219 Cb -0.01 -1.84 0.01 0.00 1.25 0.00 0.00 42.46 41.87 2vni s ILE 219 CO 0.72 -0.75 1.09 0.00 0.24 0.00 0.00 174.94 176.24 2vni s ALA 220 N -3.39 2.44 1.12 2.27 0.00 -1.26 -4.55 121.76 118.40 2vni s ALA 220 Ca 0.16 0.41 -0.17 0.00 0.00 0.00 0.00 51.96 52.36 2vni s ALA 220 Cb 0.03 -3.28 0.19 0.00 0.00 0.00 0.00 23.12 20.06 2vni s ALA 220 CO -0.00 -1.38 0.33 -2.30 0.00 0.00 0.00 175.76 172.41 2vni n PRO 221 N -2.78 -2.50 -3.11 0.00 -0.02 -1.26 -4.93 135.00 120.40 2vni n PRO 221 Ca 0.10 -0.73 -0.39 0.00 -2.02 0.00 0.00 63.50 60.45 2vni n PRO 221 Cb 0.52 -1.63 -0.06 0.00 -0.02 0.00 0.00 33.50 32.32 2vni n PRO 221 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 2vni s MET 222 N -3.73 4.40 -0.15 -0.52 1.75 -1.26 -5.04 119.30 114.75 2vni s MET 222 Ca 0.48 0.94 -0.11 0.00 -1.25 0.00 0.00 55.69 55.75 2vni s MET 222 Cb -0.09 -3.30 0.05 0.00 2.84 0.00 0.00 34.83 34.33 2vni s MET 222 CO 0.48 0.48 0.38 0.54 -0.65 0.00 0.00 175.02 176.25 2vni s ASN 223 N -0.69 -0.43 0.52 1.11 6.03 -1.26 -4.86 114.94 115.35 2vni s ASN 223 Ca 0.34 0.79 0.41 0.00 -1.03 0.00 0.00 52.86 53.37 2vni s ASN 223 Cb -0.21 0.74 1.59 0.00 -3.03 0.00 0.00 41.25 40.35 2vni s ASN 223 CO 0.22 -0.16 1.65 -0.65 -2.03 0.00 0.00 177.10 176.13 2vni h PRO 224 N 6.36 0.03 -0.38 3.55 0.11 -1.82 0.56 132.00 140.42 2vni h PRO 224 Ca -0.32 -0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.64 2vni h PRO 224 Cb 1.18 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 2vni h PRO 224 CO 0.29 0.02 -0.34 1.49 -0.21 0.00 0.00 178.00 179.25 2vni h GLU 225 N 0.04 0.90 0.00 1.05 4.57 -1.95 -3.38 114.58 115.80 2vni h GLU 225 Ca 0.80 -0.46 -0.07 0.00 -1.18 0.00 0.00 59.36 58.45 2vni h GLU 225 Cb 3.01 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 31.60 2vni h GLU 225 CO -0.12 1.11 -1.55 0.25 -1.18 0.00 0.00 179.01 177.52 2vni n THR 226 N -4.11 0.26 -3.69 0.32 -2.24 -0.25 -4.74 114.28 99.83 2vni n THR 226 Ca -0.02 -0.31 -0.37 0.00 -2.27 0.00 0.00 64.05 61.08 2vni n THR 226 Cb 0.52 -0.14 -0.06 0.00 -2.10 0.00 0.00 70.33 68.55 2vni n THR 226 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2vni s ASP 227 N -3.59 6.54 0.04 3.42 1.01 0.03 -1.09 116.67 123.03 2vni s ASP 227 Ca -0.04 0.64 0.05 0.00 0.71 0.00 0.00 52.55 53.90 2vni s ASP 227 Cb 0.05 -2.15 -0.02 0.00 1.01 0.00 0.00 42.92 41.81 2vni s ASP 227 CO 0.42 0.32 -0.13 -0.13 0.21 0.00 0.00 175.17 175.86 2vni s ARG 228 N -0.76 0.88 0.03 8.23 1.81 0.37 -4.66 118.95 124.85 2vni s ARG 228 Ca 0.18 -0.74 -0.02 0.00 -1.72 0.00 0.00 55.73 53.43 2vni s ARG 228 Cb -0.14 -0.86 -0.02 0.00 -0.45 0.00 0.00 34.95 33.48 2vni s ARG 228 CO 0.07 0.21 0.00 0.00 -0.68 0.00 0.00 175.30 174.90 2vni s ALA 229 N -0.88 0.16 -0.06 2.13 0.00 0.07 0.73 121.76 123.91 2vni s ALA 229 Ca 0.01 -0.71 0.02 0.00 0.00 0.00 0.00 51.96 51.27 2vni s ALA 229 Cb -0.08 0.20 0.01 0.00 0.00 0.00 0.00 23.12 23.25 2vni s ALA 229 CO 0.01 -0.25 -0.11 -1.64 0.00 0.00 0.00 175.76 173.77 2vni s MET 230 N -2.30 1.49 -0.07 0.00 -1.94 -0.21 -1.68 119.30 114.59 2vni s MET 230 Ca -0.08 -0.37 0.05 0.00 -1.71 0.00 0.00 55.69 53.58 2vni s MET 230 Cb -0.04 -1.27 -0.01 0.00 2.01 0.00 0.00 34.83 35.53 2vni s MET 230 CO -0.04 0.04 -0.25 0.08 -0.01 0.00 0.00 175.02 174.85 2vni s VAL 231 N 0.58 2.05 -0.24 -6.03 1.01 -0.37 -0.56 120.40 116.84 2vni s VAL 231 Ca -0.12 -1.04 -0.03 0.00 0.00 0.00 0.00 61.98 60.79 2vni s VAL 231 Cb -0.14 -1.74 0.11 0.00 0.00 0.00 0.00 36.38 34.60 2vni s VAL 231 CO 0.03 0.56 0.25 0.00 0.00 0.00 0.00 175.10 175.94 2vni n GLY 233 N 5.31 2.39 3.65 0.00 0.00 -1.24 -2.56 105.19 112.75 2vni n GLY 233 Ca -0.04 -0.64 -0.29 0.00 0.00 0.00 0.00 46.02 45.04 2vni n GLY 233 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2vni s SER 234 N 2.00 2.53 0.20 1.61 1.04 -1.26 0.67 113.70 120.49 2vni s SER 234 Ca 0.00 1.44 -0.11 0.00 0.48 0.00 0.00 55.95 57.75 2vni s SER 234 Cb 0.00 -2.12 0.14 0.00 0.10 0.00 0.00 66.02 64.14 2vni s SER 234 CO 0.00 -3.22 1.86 0.25 0.98 0.00 0.00 173.24 173.10 2vni h LEU 235 N -1.95 0.73 -0.78 2.42 5.85 -1.80 -0.21 115.31 119.57 2vni h LEU 235 Ca -0.54 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.16 2vni h LEU 235 Cb 1.31 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 42.13 2vni h LEU 235 CO 0.54 0.52 0.46 0.00 -0.34 0.00 0.00 178.44 179.61 2vni h ALA 236 N 1.26 0.99 0.38 1.25 0.00 -1.91 -0.54 119.26 120.69 2vni h ALA 236 Ca 0.25 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 2vni h ALA 236 Cb -0.06 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.42 2vni h ALA 236 CO -0.07 0.47 -0.18 0.35 0.00 0.00 0.00 179.25 179.82 2vni h PHE 237 N 1.06 -0.47 -0.60 0.00 3.57 -1.79 -1.35 116.94 117.37 2vni h PHE 237 Ca 0.28 -0.01 0.12 0.00 3.53 0.00 0.00 57.97 61.89 2vni h PHE 237 Cb -0.02 0.16 -0.10 0.00 2.79 0.00 0.00 35.95 38.78 2vni h PHE 237 CO -0.00 -0.27 0.02 -0.91 -2.23 0.00 0.00 178.31 174.92 2vni h ASN 238 N -0.55 -0.23 0.07 0.41 4.21 -0.68 0.22 115.58 119.03 2vni h ASN 238 Ca -0.05 0.14 -0.00 0.00 1.21 0.00 0.00 56.30 57.60 2vni h ASN 238 Cb 0.42 0.25 0.00 0.00 -1.12 0.00 0.00 38.32 37.86 2vni h ASN 238 CO 0.09 -0.09 -0.04 0.58 -1.29 0.00 0.00 177.43 176.68 2vni h VAL 239 N 0.13 0.98 -0.54 2.81 2.07 -0.91 -0.31 116.25 120.50 2vni h VAL 239 Ca 0.31 -0.19 -0.02 0.00 0.82 0.00 0.00 66.70 67.62 2vni h VAL 239 Cb 0.50 1.11 -0.03 0.00 -1.52 0.00 0.00 31.29 31.34 2vni h VAL 239 CO -0.49 0.05 0.25 0.44 0.02 0.00 0.00 177.57 177.83 2vni h ASP 240 N -0.18 0.68 -0.20 0.57 3.32 -0.58 -2.49 116.42 117.55 2vni h ASP 240 Ca -0.01 -0.07 -0.18 0.00 0.02 0.00 0.00 57.03 56.80 2vni h ASP 240 Cb 0.15 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 39.53 2vni h ASP 240 CO 0.02 0.59 -0.53 0.58 -1.72 0.00 0.00 179.24 178.18 2vni h VAL 241 N 0.75 1.29 -0.69 -1.35 2.07 -0.38 -2.91 116.25 115.04 2vni h VAL 241 Ca 0.19 -1.73 0.03 0.00 0.82 0.00 0.00 66.70 66.01 2vni h VAL 241 Cb 0.10 1.64 -0.04 0.00 -1.52 0.00 0.00 31.29 31.46 2vni h VAL 241 CO -0.02 0.56 0.43 0.24 0.02 0.00 0.00 177.57 178.79 2vni h MET 242 N 0.61 0.80 -0.79 1.57 2.86 -0.62 -0.55 114.93 118.81 2vni h MET 242 Ca 0.02 -0.05 0.02 0.00 -2.06 0.00 0.00 59.70 57.63 2vni h MET 242 Cb 1.12 -0.18 -0.04 0.00 0.06 0.00 0.00 31.60 32.55 2vni h MET 242 CO 0.11 0.53 0.51 0.87 1.06 0.00 0.00 176.91 180.00 2vni h LYS 243 N 0.83 0.99 -0.54 1.72 6.56 -1.41 0.67 116.57 125.40 2vni h LYS 243 Ca 0.28 -0.06 -0.10 0.00 -1.06 0.00 0.00 60.65 59.71 2vni h LYS 243 Cb 0.04 -0.22 -0.02 0.00 -0.57 0.00 0.00 32.23 31.46 2vni h LYS 243 CO -0.12 0.66 -0.06 0.28 -2.06 0.00 0.00 179.45 178.15 2vni h VAL 244 N 1.02 1.27 -0.44 0.50 2.07 -1.20 -1.68 116.25 117.79 2vni h VAL 244 Ca 0.30 -1.19 -0.05 0.00 0.82 0.00 0.00 66.70 66.58 2vni h VAL 244 Cb -0.06 0.95 -0.02 0.00 -1.52 0.00 0.00 31.29 30.65 2vni h VAL 244 CO -0.09 0.42 0.09 -0.07 0.02 0.00 0.00 177.57 177.95 2vni h LEU 245 N 0.86 0.69 -1.61 2.57 3.38 -0.62 -2.67 115.31 117.91 2vni h LEU 245 Ca 0.14 -0.25 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 2vni h LEU 245 Cb 0.61 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.18 2vni h LEU 245 CO 0.04 0.76 -0.11 -0.33 0.09 0.00 0.00 178.44 178.89 2vni h GLU 246 N 0.59 0.00 -0.00 1.13 5.08 -0.79 -1.77 114.58 118.82 2vni h GLU 246 Ca 0.14 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 2vni h GLU 246 Cb 0.35 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.60 2vni h GLU 246 CO 0.01 0.11 -0.01 -1.13 -1.00 0.00 0.00 179.01 176.99 2vni n SER 247 N -3.34 0.03 -0.32 1.42 3.41 -0.64 -2.69 113.62 111.49 2vni n SER 247 Ca -0.01 -0.20 0.07 0.00 -0.26 0.00 0.00 58.87 58.48 2vni n SER 247 Cb 0.31 -0.26 -0.00 0.00 -0.26 0.00 0.00 64.21 63.99 2vni n SER 247 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 2vni n TYR 248 N -1.26 0.00 0.00 7.33 4.02 -0.69 -4.99 117.16 121.57 2vni n TYR 248 Ca 0.15 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.04 2vni n TYR 248 Cb 0.24 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.56 2vni n TYR 248 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2vni n GLY 249 N 1.05 1.61 3.81 2.72 0.00 -1.09 -4.22 105.19 109.07 2vni n GLY 249 Ca 0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.75 2vni n GLY 249 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2vni s LEU 250 N 0.00 3.59 0.12 0.99 1.02 -1.04 -4.60 118.68 118.76 2vni s LEU 250 Ca 0.00 1.81 0.05 0.00 0.02 0.00 0.00 54.13 56.01 2vni s LEU 250 Cb 0.00 -4.54 -0.04 0.00 0.02 0.00 0.00 46.19 41.64 2vni s LEU 250 CO 0.00 -1.01 -0.13 -0.13 0.02 0.00 0.00 176.35 175.10 2vni s ARG 251 N -3.89 1.00 0.26 1.70 0.52 -1.26 -3.92 118.95 113.37 2vni s ARG 251 Ca 0.64 -1.25 -0.29 0.00 -0.52 0.00 0.00 55.73 54.31 2vni s ARG 251 Cb -0.15 -0.82 -0.09 0.00 0.52 0.00 0.00 34.95 34.41 2vni s ARG 251 CO 0.32 0.15 1.17 -2.00 0.02 0.00 0.00 175.30 174.96 2vni s GLU 252 N -2.79 4.54 0.28 3.54 2.12 -1.26 -1.46 118.70 123.67 2vni s GLU 252 Ca 0.09 1.91 0.01 0.00 0.36 0.00 0.00 54.97 57.34 2vni s GLU 252 Cb -0.04 -3.18 -0.00 0.00 0.26 0.00 0.00 34.13 31.17 2vni s GLU 252 CO 0.02 0.04 0.03 0.41 -0.54 0.00 0.00 175.26 175.23 2vni n GLY 253 N 1.41 3.73 3.70 -1.50 0.00 0.17 -4.70 105.19 108.00 2vni n GLY 253 Ca 0.01 -2.20 -0.10 0.00 0.00 0.00 0.00 46.02 43.72 2vni n GLY 253 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2vni s ALA 254 N -2.58 -0.34 0.30 4.61 0.00 -1.00 -4.77 121.76 117.98 2vni s ALA 254 Ca 0.05 -0.91 0.26 0.00 0.00 0.00 0.00 51.96 51.36 2vni s ALA 254 Cb 0.00 0.88 1.21 0.00 0.00 0.00 0.00 23.12 25.22 2vni s ALA 254 CO 0.03 -0.92 1.96 -0.97 0.00 0.00 0.00 175.76 175.86 2vni h ASN 255 N 2.06 0.00 0.40 0.00 -1.24 -1.87 -1.68 115.58 113.26 2vni h ASN 255 Ca -0.28 0.00 -0.31 0.00 0.71 0.00 0.00 56.30 56.41 2vni h ASN 255 Cb 1.25 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 40.28 2vni h ASN 255 CO 0.37 0.17 -1.65 0.77 -1.29 0.00 0.00 177.43 175.80 2vni h SER 256 N 0.00 0.32 -2.43 1.15 4.64 -1.95 -3.42 113.55 111.86 2vni h SER 256 Ca -0.00 -0.51 -0.59 0.00 -0.47 0.00 0.00 61.79 60.21 2vni h SER 256 Cb 0.52 -0.10 -0.39 0.00 -0.31 0.00 0.00 62.40 62.11 2vni h SER 256 CO 0.02 1.44 -0.89 1.21 -0.87 0.00 0.00 176.83 177.75 2vni n GLU 257 N -3.38 0.82 -1.61 4.77 4.07 -1.12 -5.12 120.64 119.07 2vni n GLU 257 Ca -0.19 -3.58 -0.45 0.00 -0.06 0.00 0.00 57.16 52.88 2vni n GLU 257 Cb 1.04 -1.76 -0.02 0.00 -0.06 0.00 0.00 31.44 30.65 2vni n GLU 257 CO 0.00 0.00 0.00 -2.30 -0.06 0.00 0.00 177.13 174.77 2vni n PRO 258 N 2.21 1.51 0.00 5.31 -0.02 -0.65 -2.37 135.00 141.00 2vni n PRO 258 Ca 0.26 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 62.27 2vni n PRO 258 Cb 0.46 -1.98 0.00 0.00 -0.02 0.00 0.00 33.50 31.96 2vni n PRO 258 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2vni n ARG 259 N 1.00 0.32 -0.05 -0.52 5.12 -1.21 -4.62 116.66 116.70 2vni n ARG 259 Ca 0.10 0.00 -0.09 0.00 -1.93 0.00 0.00 57.85 55.93 2vni n ARG 259 Cb 0.31 0.00 -0.15 0.00 -1.16 0.00 0.00 32.46 31.47 2vni n ARG 259 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 2vni n GLU 260 N 0.00 0.66 -3.92 5.56 4.71 -0.70 -0.62 120.64 126.32 2vni n GLU 260 Ca 0.00 0.15 -0.08 0.00 -0.01 0.00 0.00 57.16 57.22 2vni n GLU 260 Cb 0.00 -1.67 -0.08 0.00 -1.01 0.00 0.00 31.44 28.68 2vni n GLU 260 CO 0.00 0.00 0.00 -0.59 0.09 0.00 0.00 177.13 176.63 2vni s PHE 261 N -2.57 0.25 0.01 -0.32 -0.12 -0.53 -0.75 117.98 113.95 2vni s PHE 261 Ca -0.07 -0.70 -0.02 0.00 -0.05 0.00 0.00 56.93 56.08 2vni s PHE 261 Cb 0.07 -0.15 -0.01 0.00 -0.63 0.00 0.00 43.02 42.30 2vni s PHE 261 CO 0.83 -0.49 0.03 0.14 -0.05 0.00 0.00 175.22 175.68 2vni s VAL 262 N -3.77 0.09 0.11 -2.49 -7.23 -0.67 -0.66 120.40 105.78 2vni s VAL 262 Ca 0.05 -0.76 0.03 0.00 -1.81 0.00 0.00 61.98 59.49 2vni s VAL 262 Cb 0.05 -0.30 -0.04 0.00 0.56 0.00 0.00 36.38 36.65 2vni s VAL 262 CO -0.10 -0.42 -0.08 0.68 -0.31 0.00 0.00 175.10 174.87 2vni s VAL 263 N -1.30 0.84 -0.18 1.32 -7.23 -1.26 -1.23 120.40 111.35 2vni s VAL 263 Ca -0.14 -1.96 -0.17 0.00 -1.81 0.00 0.00 61.98 57.90 2vni s VAL 263 Cb -0.08 -1.72 0.05 0.00 0.56 0.00 0.00 36.38 35.18 2vni s VAL 263 CO -0.00 -0.83 0.49 -0.70 -0.31 0.00 0.00 175.10 173.75 2vni s GLU 264 N -3.77 0.57 0.17 4.82 2.12 -0.60 -4.74 118.70 117.27 2vni s GLU 264 Ca 0.13 0.69 -0.31 0.00 0.36 0.00 0.00 54.97 55.84 2vni s GLU 264 Cb 0.04 0.27 -0.09 0.00 0.26 0.00 0.00 34.13 34.61 2vni s GLU 264 CO -0.03 -0.07 1.46 0.15 -0.54 0.00 0.00 175.26 176.23 2vni s LYS 265 N 0.29 4.28 0.29 4.30 1.02 -1.26 -3.58 119.74 125.07 2vni s LYS 265 Ca -0.00 2.22 0.14 0.00 0.02 0.00 0.00 55.97 58.36 2vni s LYS 265 Cb -0.04 -3.18 0.32 0.00 -0.52 0.00 0.00 37.83 34.41 2vni s LYS 265 CO 0.00 -0.48 1.56 0.00 -0.92 0.00 0.00 175.35 175.51 2vni h ALA 266 N 6.32 0.80 -2.27 5.17 0.00 -0.06 -3.46 119.26 125.76 2vni h ALA 266 Ca -0.43 -0.51 0.18 0.00 0.00 0.00 0.00 54.91 54.15 2vni h ALA 266 Cb 1.21 -0.09 -0.09 0.00 0.00 0.00 0.00 17.79 18.82 2vni h ALA 266 CO 0.86 0.70 0.51 -0.59 0.00 0.00 0.00 179.25 180.72 2vni s PHE 267 N -3.29 -0.16 -0.09 0.00 -0.12 -1.26 -4.84 117.98 108.22 2vni s PHE 267 Ca 0.01 -0.11 -0.11 0.00 -0.05 0.00 0.00 56.93 56.67 2vni s PHE 267 Cb 0.10 0.62 -0.05 0.00 -0.63 0.00 0.00 43.02 43.06 2vni s PHE 267 CO 0.74 -0.75 0.26 0.08 -0.05 0.00 0.00 175.22 175.50 2vni s VAL 268 N -3.21 5.30 0.00 -2.49 1.01 -1.26 -4.54 120.40 115.22 2vni s VAL 268 Ca 0.11 0.49 0.00 0.00 0.00 0.00 0.00 61.98 62.58 2vni s VAL 268 Cb -0.01 -3.55 0.00 0.00 0.00 0.00 0.00 36.38 32.82 2vni s VAL 268 CO 0.00 0.55 0.00 0.61 0.00 0.00 0.00 175.10 176.27 2vni n GLY 269 N 2.25 -1.90 0.17 4.51 0.00 -1.26 -4.58 105.19 104.38 2vni n GLY 269 Ca -0.16 -2.05 0.12 0.00 0.00 0.00 0.00 46.02 43.93 2vni n GLY 269 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2vni h GLU 270 N 0.00 0.00 0.00 1.61 5.08 -2.03 -3.41 114.58 115.83 2vni h GLU 270 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2vni h GLU 270 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2vni h GLU 270 CO 0.00 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.42 2vni n GLY 271 N 1.19 -1.67 0.00 -3.84 0.00 -1.26 -5.02 105.19 94.59 2vni n GLY 271 Ca 0.05 -1.41 0.13 0.00 0.00 0.00 0.00 46.02 44.79 2vni n GLY 271 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61