#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m4p s PRO 12 N 0.00 3.17 0.19 1.09 0.04 -1.26 -5.00 135.00 133.24 3m4p s PRO 12 Ca 0.00 0.56 -0.14 0.00 0.04 0.00 0.00 61.00 61.46 3m4p s PRO 12 Cb 0.00 -4.18 -0.07 0.00 0.04 0.00 0.00 34.50 30.28 3m4p s PRO 12 CO 0.00 -2.09 0.59 0.42 0.04 0.00 0.00 177.00 175.96 3m4p s ILE 13 N 6.71 4.83 0.24 0.56 1.01 -1.26 -5.08 121.20 128.20 3m4p s ILE 13 Ca 0.57 0.80 -0.09 0.00 0.00 0.00 0.00 60.65 61.93 3m4p s ILE 13 Cb -0.12 -3.70 -0.07 0.00 0.01 0.00 0.00 42.46 38.57 3m4p s ILE 13 CO 0.25 0.11 0.55 -0.69 0.00 0.00 0.00 174.94 175.16 3m4p s VAL 14 N -1.62 4.94 -0.40 2.92 1.01 -1.26 -4.78 120.40 121.21 3m4p s VAL 14 Ca 0.43 0.44 -0.09 0.00 0.00 0.00 0.00 61.98 62.76 3m4p s VAL 14 Cb -0.14 -3.63 0.07 0.00 0.00 0.00 0.00 36.38 32.68 3m4p s VAL 14 CO 0.20 -0.10 0.23 0.00 0.00 0.00 0.00 175.10 175.43 3m4p s ASN 16 N 1.94 5.90 0.28 0.00 -0.87 -1.26 -0.76 114.94 120.16 3m4p s ASN 16 Ca 0.02 0.81 0.00 0.00 -1.57 0.00 0.00 52.86 52.13 3m4p s ASN 16 Cb -0.22 -2.53 -0.02 0.00 -0.02 0.00 0.00 41.25 38.45 3m4p s ASN 16 CO 0.03 -1.79 0.30 0.27 -2.57 0.00 0.00 177.10 173.34 3m4p s ILE 17 N 6.89 0.00 0.53 0.60 -4.36 -0.91 -4.96 121.20 118.99 3m4p s ILE 17 Ca 0.68 -1.84 0.09 0.00 -0.26 0.00 0.00 60.65 59.33 3m4p s ILE 17 Cb -0.16 -2.50 0.06 0.00 1.25 0.00 0.00 42.46 41.11 3m4p s ILE 17 CO 0.29 0.00 0.72 0.00 0.24 0.00 0.00 174.94 176.19 3m4p s ARG 18 N -3.64 2.45 0.18 0.37 1.70 -1.26 -4.42 118.95 114.33 3m4p s ARG 18 Ca 0.36 -1.54 -0.04 0.00 -0.47 0.00 0.00 55.73 54.04 3m4p s ARG 18 Cb 0.03 -2.66 0.07 0.00 -0.57 0.00 0.00 34.95 31.81 3m4p s ARG 18 CO 0.19 -0.69 1.46 -0.44 -1.08 0.00 0.00 175.30 174.74 3m4p h ASP 19 N 0.32 0.61 -0.96 -2.89 3.32 -1.92 -3.23 116.42 111.68 3m4p h ASP 19 Ca -0.33 -0.36 0.12 0.00 0.02 0.00 0.00 57.03 56.48 3m4p h ASP 19 Cb 1.29 -0.18 -0.08 0.00 0.22 0.00 0.00 39.33 40.58 3m4p h ASP 19 CO 0.42 1.09 0.59 0.00 -1.72 0.00 0.00 179.24 179.62 3m4p h ALA 20 N 0.92 1.43 -0.30 3.45 0.00 -1.94 -1.79 119.26 121.03 3m4p h ALA 20 Ca -0.01 0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 3m4p h ALA 20 Cb 1.19 -0.18 -0.06 0.00 0.00 0.00 0.00 17.79 18.74 3m4p h ALA 20 CO 0.12 0.18 0.13 0.00 0.00 0.00 0.00 179.25 179.67 3m4p n ALA 21 N -2.36 3.36 -2.99 0.00 0.00 -1.22 -4.82 120.51 112.49 3m4p n ALA 21 Ca 0.18 -0.92 -0.44 0.00 0.00 0.00 0.00 53.44 52.26 3m4p n ALA 21 Cb 0.34 -1.11 -0.08 0.00 0.00 0.00 0.00 19.45 18.60 3m4p n ALA 21 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3m4p s GLY 22 N -0.08 2.03 -0.43 0.00 0.00 -0.68 -4.91 107.32 103.25 3m4p s GLY 22 Ca 0.21 -2.15 0.06 0.00 0.00 0.00 0.00 44.72 42.85 3m4p s GLY 22 CO 0.05 1.05 0.56 1.04 0.00 0.00 0.00 173.10 175.80 3m4p n LEU 23 N 5.14 -1.14 -3.66 0.66 4.77 -1.26 -4.92 117.00 116.60 3m4p n LEU 23 Ca -0.12 -4.08 -0.13 0.00 -0.03 0.00 0.00 56.01 51.66 3m4p n LEU 23 Cb 0.43 0.66 -0.08 0.00 -2.33 0.00 0.00 43.42 42.11 3m4p n LEU 23 CO 0.46 1.97 0.32 -1.61 -1.33 0.00 0.00 177.39 177.20 3m4p s GLU 24 N -0.14 0.72 -0.53 3.23 2.02 -1.26 -5.04 118.70 117.71 3m4p s GLU 24 Ca 0.33 0.93 -0.03 0.00 0.02 0.00 0.00 54.97 56.21 3m4p s GLU 24 Cb 0.11 0.32 0.14 0.00 0.10 0.00 0.00 34.13 34.80 3m4p s GLU 24 CO -0.15 -0.10 2.55 0.41 0.02 0.00 0.00 175.26 177.99 3m4p n GLY 25 N 3.00 4.60 3.57 -1.39 0.00 -1.26 -4.58 105.19 109.14 3m4p n GLY 25 Ca -0.15 -1.95 -0.27 0.00 0.00 0.00 0.00 46.02 43.65 3m4p n GLY 25 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3m4p s LYS 26 N -2.24 1.96 -0.19 1.61 1.02 -1.26 -4.79 119.74 115.85 3m4p s LYS 26 Ca 0.56 -2.20 -0.24 0.00 0.02 0.00 0.00 55.97 54.11 3m4p s LYS 26 Cb 0.39 -0.89 -0.01 0.00 -0.52 0.00 0.00 37.83 36.79 3m4p s LYS 26 CO -0.24 -0.40 0.79 -1.17 -0.92 0.00 0.00 175.35 173.41 3m4p s LEU 27 N -3.66 4.15 0.04 3.17 2.96 -1.26 -2.06 118.68 122.01 3m4p s LEU 27 Ca 0.21 1.07 0.03 0.00 -0.22 0.00 0.00 54.13 55.22 3m4p s LEU 27 Cb 0.03 -3.15 -0.02 0.00 0.50 0.00 0.00 46.19 43.55 3m4p s LEU 27 CO 0.12 -0.40 -0.09 -0.69 -1.32 0.00 0.00 176.35 173.98 3m4p s VAL 28 N 2.25 0.63 -0.13 1.68 1.01 -0.10 -1.59 120.40 124.15 3m4p s VAL 28 Ca 0.36 -0.93 0.03 0.00 0.00 0.00 0.00 61.98 61.43 3m4p s VAL 28 Cb -0.16 -0.64 0.00 0.00 0.00 0.00 0.00 36.38 35.58 3m4p s VAL 28 CO 0.11 -0.24 -0.21 -0.89 0.00 0.00 0.00 175.10 173.87 3m4p s THR 29 N -1.08 2.19 0.06 3.92 2.01 0.06 -1.21 115.64 121.59 3m4p s THR 29 Ca -0.06 -0.95 0.03 0.00 0.31 0.00 0.00 61.69 61.02 3m4p s THR 29 Cb -0.08 -1.87 -0.04 0.00 0.01 0.00 0.00 72.50 70.52 3m4p s THR 29 CO 0.01 0.55 0.04 -0.36 -0.69 0.00 0.00 174.62 174.16 3m4p s PHE 30 N 0.63 3.11 -0.14 4.92 0.08 0.49 -2.14 117.98 124.93 3m4p s PHE 30 Ca -0.11 0.06 0.02 0.00 0.12 0.00 0.00 56.93 57.02 3m4p s PHE 30 Cb -0.16 -1.61 0.01 0.00 -0.57 0.00 0.00 43.02 40.69 3m4p s PHE 30 CO 0.03 0.50 -0.21 0.15 -0.10 0.00 0.00 175.22 175.58 3m4p s LYS 31 N -2.16 2.95 0.00 0.44 1.02 -1.26 -0.86 119.74 119.86 3m4p s LYS 31 Ca 0.26 -0.83 0.00 0.00 0.02 0.00 0.00 55.97 55.42 3m4p s LYS 31 Cb -0.12 -2.39 0.00 0.00 -0.52 0.00 0.00 37.83 34.80 3m4p s LYS 31 CO 0.18 -0.03 0.00 0.41 -0.92 0.00 0.00 175.35 174.99 3m4p n GLY 32 N 4.12 1.57 3.37 -3.33 0.00 -0.76 -4.70 105.19 105.45 3m4p n GLY 32 Ca -0.20 -0.50 -0.25 0.00 0.00 0.00 0.00 46.02 45.07 3m4p n GLY 32 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3m4p s TRP 33 N -1.76 2.04 -1.07 1.61 0.51 0.13 -0.57 118.94 119.85 3m4p s TRP 33 Ca 0.00 -0.41 -0.18 0.00 -2.12 0.00 0.00 56.10 53.39 3m4p s TRP 33 Cb 0.00 -1.03 0.12 0.00 -0.81 0.00 0.00 33.47 31.75 3m4p s TRP 33 CO 0.00 0.38 1.34 0.00 -0.51 0.00 0.00 176.95 178.16 3m4p s ALA 34 N -1.71 3.44 0.19 0.98 0.00 0.56 -0.99 121.76 124.22 3m4p s ALA 34 Ca 0.16 -2.87 -0.11 0.00 0.00 0.00 0.00 51.96 49.14 3m4p s ALA 34 Cb -0.07 -4.22 0.11 0.00 0.00 0.00 0.00 23.12 18.93 3m4p s ALA 34 CO 0.08 -3.06 1.79 -0.92 0.00 0.00 0.00 175.76 173.64 3m4p h TYR 35 N 8.37 0.92 -3.20 0.00 3.20 -1.74 0.90 116.97 125.41 3m4p h TYR 35 Ca 0.24 -0.03 -0.13 0.00 3.14 0.00 0.00 58.73 61.95 3m4p h TYR 35 Cb 0.96 -0.29 -0.21 0.00 1.54 0.00 0.00 36.73 38.73 3m4p h TYR 35 CO 1.20 0.67 -0.36 -1.58 -1.64 0.00 0.00 178.16 176.44 3m4p s HIS 36 N -5.79 -0.12 -0.04 -3.82 2.46 -1.25 -4.68 115.29 102.05 3m4p s HIS 36 Ca -0.13 0.19 0.01 0.00 0.47 0.00 0.00 55.06 55.60 3m4p s HIS 36 Cb 0.14 0.05 0.02 0.00 -0.13 0.00 0.00 32.58 32.65 3m4p s HIS 36 CO 0.79 -0.32 -0.06 0.42 -2.47 0.00 0.00 174.74 173.10 3m4p s ILE 37 N -1.16 0.62 -0.31 0.89 1.01 -1.26 -2.00 121.20 119.00 3m4p s ILE 37 Ca -0.12 -0.18 0.03 0.00 0.00 0.00 0.00 60.65 60.38 3m4p s ILE 37 Cb -0.06 -0.62 0.08 0.00 0.01 0.00 0.00 42.46 41.87 3m4p s ILE 37 CO 0.03 0.24 -0.02 -0.13 0.00 0.00 0.00 174.94 175.06 3m4p s ARG 38 N 0.81 1.86 -1.23 2.79 3.00 -0.22 -5.01 118.95 120.96 3m4p s ARG 38 Ca -0.12 -1.63 -0.07 0.00 0.00 0.00 0.00 55.73 53.91 3m4p s ARG 38 Cb -0.14 -3.08 0.20 0.00 0.00 0.00 0.00 34.95 31.93 3m4p s ARG 38 CO 0.01 -0.77 1.84 1.63 0.00 0.00 0.00 175.30 178.01 3m4p n LYS 39 N 4.35 4.02 -0.00 3.54 5.02 -1.26 -0.63 118.16 133.20 3m4p n LYS 39 Ca -0.05 -3.81 0.00 0.00 -2.02 0.00 0.00 58.31 52.44 3m4p n LYS 39 Cb 0.42 -2.77 0.30 0.00 -0.02 0.00 0.00 35.03 32.96 3m4p n LYS 39 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3m4p h ALA 40 N 5.47 1.39 -2.45 7.82 0.00 -1.95 -3.45 119.26 126.09 3m4p h ALA 40 Ca 0.39 -0.19 -0.24 0.00 0.00 0.00 0.00 54.91 54.87 3m4p h ALA 40 Cb 0.57 -0.15 -0.15 0.00 0.00 0.00 0.00 17.79 18.07 3m4p h ALA 40 CO 1.53 0.43 -0.64 -0.98 0.00 0.00 0.00 179.25 179.59 3m4p s ARG 41 N -5.00 1.11 0.51 0.00 1.04 -1.01 -5.02 118.95 110.58 3m4p s ARG 41 Ca -0.08 -1.56 0.26 0.00 -1.04 0.00 0.00 55.73 53.32 3m4p s ARG 41 Cb 0.16 0.12 1.39 0.00 -2.04 0.00 0.00 34.95 34.58 3m4p s ARG 41 CO 0.76 -0.29 2.05 0.87 -0.04 0.00 0.00 175.30 178.65 3m4p h LYS 42 N 2.69 0.00 0.00 3.89 1.57 -2.02 -2.90 116.57 119.80 3m4p h LYS 42 Ca -0.36 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.42 3m4p h LYS 42 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.53 3m4p h LYS 42 CO 0.58 0.13 -0.03 -2.37 -0.57 0.00 0.00 179.45 177.18 3m4p n THR 43 N -3.66 1.29 -3.68 -0.16 5.66 -1.26 -4.98 114.28 107.50 3m4p n THR 43 Ca -0.02 -1.47 -0.19 0.00 -3.05 0.00 0.00 64.05 59.32 3m4p n THR 43 Cb 0.25 0.18 -0.17 0.00 -1.55 0.00 0.00 70.33 69.04 3m4p n THR 43 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 175.07 171.80 3m4p s LEU 44 N -1.76 0.19 -0.09 1.09 2.96 -1.10 -3.08 118.68 116.88 3m4p s LEU 44 Ca 0.15 0.14 -0.02 0.00 -0.22 0.00 0.00 54.13 54.18 3m4p s LEU 44 Cb 0.13 -0.02 0.04 0.00 0.50 0.00 0.00 46.19 46.84 3m4p s LEU 44 CO 0.01 -0.24 0.03 -0.63 -1.32 0.00 0.00 176.35 174.21 3m4p s ILE 45 N 2.07 0.22 -0.17 6.68 1.01 -1.24 -2.41 121.20 127.36 3m4p s ILE 45 Ca 0.03 0.07 -0.23 0.00 0.00 0.00 0.00 60.65 60.52 3m4p s ILE 45 Cb -0.12 -0.51 -0.02 0.00 0.01 0.00 0.00 42.46 41.82 3m4p s ILE 45 CO -0.04 0.11 0.74 -0.36 0.00 0.00 0.00 174.94 175.40 3m4p s PHE 46 N 2.03 3.42 -0.17 3.97 0.08 0.20 -2.31 117.98 125.20 3m4p s PHE 46 Ca 0.04 1.13 0.01 0.00 0.12 0.00 0.00 56.93 58.23 3m4p s PHE 46 Cb -0.13 -2.91 0.02 0.00 -0.57 0.00 0.00 43.02 39.43 3m4p s PHE 46 CO -0.05 -0.18 -0.20 0.08 -0.10 0.00 0.00 175.22 174.76 3m4p s VAL 47 N 1.91 2.04 -0.75 -0.44 1.01 0.34 -1.05 120.40 123.45 3m4p s VAL 47 Ca 0.34 -0.94 -0.16 0.00 0.00 0.00 0.00 61.98 61.23 3m4p s VAL 47 Cb -0.16 -1.83 0.16 0.00 0.00 0.00 0.00 36.38 34.55 3m4p s VAL 47 CO 0.12 0.54 0.78 -1.61 0.00 0.00 0.00 175.10 174.93 3m4p s GLU 48 N 1.18 3.38 0.13 2.72 0.41 -0.85 0.22 118.70 125.91 3m4p s GLU 48 Ca 0.02 -1.97 -0.29 0.00 -0.41 0.00 0.00 54.97 52.32 3m4p s GLU 48 Cb -0.14 -4.46 -0.07 0.00 -1.78 0.00 0.00 34.13 27.69 3m4p s GLU 48 CO -0.10 -1.44 0.91 -1.17 -0.49 0.00 0.00 175.26 172.97 3m4p s LEU 49 N 1.40 4.53 -0.10 1.80 2.96 -0.26 -2.08 118.68 126.94 3m4p s LEU 49 Ca 0.17 1.76 -0.00 0.00 -0.22 0.00 0.00 54.13 55.84 3m4p s LEU 49 Cb -0.15 -3.51 -0.03 0.00 0.50 0.00 0.00 46.19 43.00 3m4p s LEU 49 CO -0.04 0.02 -0.08 -0.60 -1.32 0.00 0.00 176.35 174.33 3m4p s ARG 50 N -0.38 3.08 0.00 1.98 3.52 -0.16 -0.96 118.95 126.04 3m4p s ARG 50 Ca 0.43 -0.58 0.00 0.00 -0.13 0.00 0.00 55.73 55.45 3m4p s ARG 50 Cb -0.23 -2.66 0.00 0.00 -1.56 0.00 0.00 34.95 30.50 3m4p s ARG 50 CO 0.29 0.47 0.55 -0.40 -0.81 0.00 0.00 175.30 175.40 3m4p n ASP 51 N 2.81 0.78 0.00 -2.12 5.75 -1.00 0.21 116.55 122.97 3m4p n ASP 51 Ca -0.18 -1.30 0.00 0.00 -0.01 0.00 0.00 54.79 53.31 3m4p n ASP 51 Cb 0.53 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.62 3m4p n ASP 51 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3m4p n GLY 52 N -0.15 2.84 0.09 6.12 0.00 -1.26 -4.75 105.19 108.08 3m4p n GLY 52 Ca 0.00 -0.19 -0.11 0.00 0.00 0.00 0.00 46.02 45.72 3m4p n GLY 52 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3m4p h SER 53 N 0.00 0.15 0.00 1.61 0.02 -1.98 -3.50 113.55 109.84 3m4p h SER 53 Ca 0.00 -0.21 0.00 0.00 -0.84 0.00 0.00 61.79 60.74 3m4p h SER 53 Cb 0.00 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.49 3m4p h SER 53 CO 0.00 1.18 0.00 0.61 -1.14 0.00 0.00 176.83 177.48 3m4p n GLY 54 N 1.54 1.10 3.30 -3.77 0.00 -1.26 -4.53 105.19 101.57 3m4p n GLY 54 Ca -0.12 -0.50 -0.16 0.00 0.00 0.00 0.00 46.02 45.24 3m4p n GLY 54 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3m4p s TYR 55 N -1.75 1.45 -0.22 1.61 2.02 -0.47 -2.37 117.35 117.62 3m4p s TYR 55 Ca 0.00 -0.82 -0.12 0.00 -0.37 0.00 0.00 57.07 55.76 3m4p s TYR 55 Cb 0.00 -0.79 0.07 0.00 -0.40 0.00 0.00 41.96 40.84 3m4p s TYR 55 CO 0.00 0.06 0.54 0.00 -1.57 0.00 0.00 175.55 174.57 3m4p s GLN 57 N 1.62 4.33 -0.14 0.00 0.74 -1.26 -1.10 119.66 123.84 3m4p s GLN 57 Ca -0.09 1.72 0.01 0.00 0.05 0.00 0.00 55.36 57.05 3m4p s GLN 57 Cb -0.07 -3.57 0.02 0.00 1.10 0.00 0.00 33.01 30.48 3m4p s GLN 57 CO -0.16 -0.49 -0.16 0.00 -0.55 0.00 0.00 175.29 173.93 3m4p s VAL 59 N 1.26 4.72 -0.51 0.00 -7.23 -0.19 -0.51 120.40 117.96 3m4p s VAL 59 Ca 0.01 -0.07 -0.00 0.00 -1.81 0.00 0.00 61.98 60.10 3m4p s VAL 59 Cb -0.14 -3.07 0.13 0.00 0.56 0.00 0.00 36.38 33.87 3m4p s VAL 59 CO -0.08 0.54 0.29 -0.63 -0.31 0.00 0.00 175.10 174.90 3m4p s ILE 60 N -0.27 3.17 -0.02 -0.62 1.01 -0.98 -1.25 121.20 122.24 3m4p s ILE 60 Ca 0.08 -2.71 -0.15 0.00 0.00 0.00 0.00 60.65 57.87 3m4p s ILE 60 Cb -0.12 -3.15 -0.06 0.00 0.01 0.00 0.00 42.46 39.15 3m4p s ILE 60 CO 0.02 -0.77 0.41 0.12 0.00 0.00 0.00 174.94 174.71 3m4p s PHE 61 N 0.34 3.70 0.00 3.97 5.36 -1.26 -3.64 117.98 126.45 3m4p s PHE 61 Ca 0.14 0.97 0.00 0.00 -0.96 0.00 0.00 56.93 57.08 3m4p s PHE 61 Cb -0.22 -2.31 0.00 0.00 -0.34 0.00 0.00 43.02 40.15 3m4p s PHE 61 CO -0.04 0.59 0.00 0.41 -1.46 0.00 0.00 175.22 174.72 3m4p n GLY 62 N 2.01 2.53 0.25 13.12 0.00 -1.18 -4.71 105.19 117.21 3m4p n GLY 62 Ca -0.13 -1.33 0.09 0.00 0.00 0.00 0.00 46.02 44.65 3m4p n GLY 62 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3m4p h LYS 63 N 0.00 0.00 -0.65 1.61 1.57 -1.92 -2.39 116.57 114.79 3m4p h LYS 63 Ca 0.00 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.74 3m4p h LYS 63 Cb 0.00 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.28 3m4p h LYS 63 CO 0.00 0.10 0.26 1.49 -0.57 0.00 0.00 179.45 180.72 3m4p h GLU 64 N 0.00 0.95 -0.80 3.15 4.22 -1.98 -2.54 114.58 117.58 3m4p h GLU 64 Ca -0.00 -0.16 -0.45 0.00 0.08 0.00 0.00 59.36 58.83 3m4p h GLU 64 Cb 0.19 -0.16 -0.26 0.00 0.50 0.00 0.00 28.75 29.03 3m4p h GLU 64 CO 0.01 0.78 0.40 1.28 -2.18 0.00 0.00 179.01 179.31 3m4p n LEU 65 N -4.31 6.08 -2.71 1.64 7.99 -0.92 -4.44 117.00 120.34 3m4p n LEU 65 Ca 0.06 -3.85 -0.07 0.00 -0.01 0.00 0.00 56.01 52.14 3m4p n LEU 65 Cb 0.17 -0.78 0.04 0.00 -0.11 0.00 0.00 43.42 42.74 3m4p n LEU 65 CO 0.39 1.25 -0.08 0.00 -1.51 0.00 0.00 177.39 177.45 3m4p s GLU 67 N -3.35 3.41 0.30 0.00 2.02 -1.25 -4.83 118.70 114.99 3m4p s GLU 67 Ca 0.28 1.99 0.08 0.00 0.02 0.00 0.00 54.97 57.34 3m4p s GLU 67 Cb 0.41 -4.27 0.87 0.00 0.10 0.00 0.00 34.13 31.25 3m4p s GLU 67 CO 0.01 -1.78 1.40 -2.30 0.02 0.00 0.00 175.26 172.60 3m4p n PRO 68 N 8.38 -0.06 0.07 0.39 -0.02 -1.26 -0.34 135.00 142.16 3m4p n PRO 68 Ca 0.26 1.29 -0.10 0.00 -2.02 0.00 0.00 63.50 62.94 3m4p n PRO 68 Cb 0.45 -2.15 0.01 0.00 -0.02 0.00 0.00 33.50 31.78 3m4p n PRO 68 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3m4p h GLU 69 N 0.00 0.29 0.00 -0.52 4.57 -2.00 -1.78 114.58 115.13 3m4p h GLU 69 Ca 0.62 -0.28 -0.13 0.00 -1.18 0.00 0.00 59.36 58.39 3m4p h GLU 69 Cb 1.44 0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 30.09 3m4p h GLU 69 CO -0.78 0.97 -0.63 -0.22 -1.18 0.00 0.00 179.01 177.17 3m4p h LYS 70 N 0.18 0.00 0.00 1.92 3.64 -1.07 -3.17 116.57 118.07 3m4p h LYS 70 Ca -0.05 0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.23 3m4p h LYS 70 Cb 1.44 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.24 3m4p h LYS 70 CO 0.13 0.63 -0.50 0.28 -2.27 0.00 0.00 179.45 177.72 3m4p h VAL 71 N 0.00 1.12 -0.20 2.00 2.07 -0.83 -3.06 116.25 117.35 3m4p h VAL 71 Ca -0.01 -1.89 0.03 0.00 0.82 0.00 0.00 66.70 65.64 3m4p h VAL 71 Cb 1.37 2.10 -0.01 0.00 -1.52 0.00 0.00 31.29 33.23 3m4p h VAL 71 CO 0.08 0.49 0.14 0.11 0.02 0.00 0.00 177.57 178.41 3m4p h LYS 72 N 0.00 0.15 0.00 1.57 6.56 -1.29 -1.22 116.57 122.34 3m4p h LYS 72 Ca -0.01 -0.01 -0.05 0.00 -1.06 0.00 0.00 60.65 59.53 3m4p h LYS 72 Cb 1.06 -0.03 -0.01 0.00 -0.57 0.00 0.00 32.23 32.67 3m4p h LYS 72 CO 0.07 0.10 -0.23 -0.07 -2.06 0.00 0.00 179.45 177.26 3m4p h LEU 73 N 0.16 0.00 -8.84 2.94 3.38 -1.65 -3.43 115.31 107.86 3m4p h LEU 73 Ca 0.08 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.49 3m4p h LEU 73 Cb 0.14 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.84 3m4p h LEU 73 CO -0.01 0.23 1.03 -0.22 0.09 0.00 0.00 178.44 179.55 3m4p s LEU 74 N -6.48 3.69 0.15 1.67 2.96 -0.46 -4.64 118.68 115.57 3m4p s LEU 74 Ca 0.03 0.93 -0.02 0.00 -0.22 0.00 0.00 54.13 54.85 3m4p s LEU 74 Cb 0.08 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 43.19 3m4p s LEU 74 CO 0.67 -1.30 0.10 0.42 -1.32 0.00 0.00 176.35 174.91 3m4p s THR 75 N 5.02 0.07 0.31 3.68 -4.23 -1.26 -5.02 115.64 114.21 3m4p s THR 75 Ca 0.59 -1.89 -0.29 0.00 -1.18 0.00 0.00 61.69 58.91 3m4p s THR 75 Cb -0.14 -2.15 -0.11 0.00 1.34 0.00 0.00 72.50 71.43 3m4p s THR 75 CO 0.29 -0.32 1.52 -0.60 -0.54 0.00 0.00 174.62 174.97 3m4p s ARG 76 N -4.07 4.16 -1.20 3.99 3.52 -1.26 -2.48 118.95 121.61 3m4p s ARG 76 Ca 0.28 2.51 0.00 0.00 -0.13 0.00 0.00 55.73 58.39 3m4p s ARG 76 Cb 0.07 -3.02 0.00 0.00 -1.56 0.00 0.00 34.95 30.43 3m4p s ARG 76 CO 0.04 -0.55 0.00 0.39 -0.81 0.00 0.00 175.30 174.38 3m4p n GLU 77 N 1.65 -0.85 -2.34 5.12 -0.58 0.31 -4.78 120.64 119.19 3m4p n GLU 77 Ca 0.05 0.89 -0.28 0.00 -0.42 0.00 0.00 57.16 57.40 3m4p n GLU 77 Cb 0.39 -4.88 0.01 0.00 -0.57 0.00 0.00 31.44 26.39 3m4p n GLU 77 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3m4p s SER 79 N -4.19 6.46 -0.01 0.00 1.04 -0.60 -0.33 113.70 116.06 3m4p s SER 79 Ca 0.52 0.54 0.01 0.00 0.48 0.00 0.00 55.95 57.50 3m4p s SER 79 Cb -0.11 -2.09 0.01 0.00 0.10 0.00 0.00 66.02 63.93 3m4p s SER 79 CO 0.48 0.38 -0.03 -0.76 0.98 0.00 0.00 173.24 174.28 3m4p s LEU 80 N -1.15 1.72 -0.46 2.42 1.43 0.27 -0.89 118.68 122.02 3m4p s LEU 80 Ca 0.18 -0.07 -0.17 0.00 -1.03 0.00 0.00 54.13 53.04 3m4p s LEU 80 Cb -0.13 -0.24 0.05 0.00 0.03 0.00 0.00 46.19 45.90 3m4p s LEU 80 CO 0.07 0.00 0.47 -0.70 0.23 0.00 0.00 176.35 176.42 3m4p s GLU 81 N 0.29 3.06 -0.10 1.70 2.12 -0.86 -1.83 118.70 123.09 3m4p s GLU 81 Ca -0.03 -0.98 0.04 0.00 0.36 0.00 0.00 54.97 54.36 3m4p s GLU 81 Cb -0.06 -4.05 0.00 0.00 0.26 0.00 0.00 34.13 30.28 3m4p s GLU 81 CO -0.01 -1.00 -0.23 -1.50 -0.54 0.00 0.00 175.26 171.99 3m4p s ILE 82 N 2.10 2.00 -0.07 -3.70 2.07 -0.04 -1.87 121.20 121.69 3m4p s ILE 82 Ca 0.10 -0.98 0.02 0.00 -1.41 0.00 0.00 60.65 58.38 3m4p s ILE 82 Cb -0.20 -1.74 0.01 0.00 0.13 0.00 0.00 42.46 40.67 3m4p s ILE 82 CO 0.11 0.55 -0.12 -0.89 -1.91 0.00 0.00 174.94 172.67 3m4p s THR 83 N 0.41 1.14 0.22 4.00 2.01 0.64 -0.38 115.64 123.68 3m4p s THR 83 Ca -0.18 -0.48 -0.19 0.00 0.31 0.00 0.00 61.69 61.16 3m4p s THR 83 Cb -0.18 -1.05 0.07 0.00 0.01 0.00 0.00 72.50 71.35 3m4p s THR 83 CO 0.08 0.36 0.91 0.61 -0.69 0.00 0.00 174.62 175.89 3m4p n GLY 84 N 3.88 0.74 3.74 4.40 0.00 -0.35 0.12 105.19 117.72 3m4p n GLY 84 Ca -0.22 -1.16 -0.35 0.00 0.00 0.00 0.00 46.02 44.28 3m4p n GLY 84 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3m4p s ARG 85 N -2.06 4.17 -0.19 1.61 3.52 -0.29 -0.93 118.95 124.80 3m4p s ARG 85 Ca 0.20 -0.14 -0.20 0.00 -0.13 0.00 0.00 55.73 55.46 3m4p s ARG 85 Cb -0.03 -3.41 -0.03 0.00 -1.56 0.00 0.00 34.95 29.92 3m4p s ARG 85 CO 0.07 0.31 0.59 -0.51 -0.81 0.00 0.00 175.30 174.94 3m4p s LEU 86 N 0.32 4.16 0.15 -0.88 1.43 -0.87 -1.02 118.68 121.98 3m4p s LEU 86 Ca 0.10 0.80 0.10 0.00 -1.03 0.00 0.00 54.13 54.10 3m4p s LEU 86 Cb -0.12 -2.83 -0.04 0.00 0.03 0.00 0.00 46.19 43.24 3m4p s LEU 86 CO -0.00 -0.22 -0.22 0.20 0.23 0.00 0.00 176.35 176.34 3m4p s ASN 87 N 1.12 2.97 0.39 2.29 0.01 0.16 -4.00 114.94 117.89 3m4p s ASN 87 Ca 0.27 -0.81 -0.26 0.00 -0.71 0.00 0.00 52.86 51.36 3m4p s ASN 87 Cb -0.16 -0.19 -0.09 0.00 0.41 0.00 0.00 41.25 41.22 3m4p s ASN 87 CO 0.11 0.07 1.26 0.00 -1.51 0.00 0.00 177.10 177.02 3m4p s ALA 88 N -1.58 3.26 0.13 0.60 0.00 -1.26 -1.03 121.76 121.87 3m4p s ALA 88 Ca 0.15 1.15 -0.31 0.00 0.00 0.00 0.00 51.96 52.95 3m4p s ALA 88 Cb -0.08 -3.45 -0.08 0.00 0.00 0.00 0.00 23.12 19.51 3m4p s ALA 88 CO 0.07 -0.70 1.35 0.71 0.00 0.00 0.00 175.76 177.18 3m4p s TYR 89 N -1.28 3.27 0.81 0.00 2.02 -1.26 -4.83 117.35 116.08 3m4p s TYR 89 Ca 0.56 1.06 -0.11 0.00 -0.37 0.00 0.00 57.07 58.21 3m4p s TYR 89 Cb -0.36 -3.63 0.08 0.00 -0.40 0.00 0.00 41.96 37.65 3m4p s TYR 89 CO 0.46 -2.12 1.09 0.00 -1.57 0.00 0.00 175.55 173.41 3m4p s ALA 90 N 0.87 2.04 0.63 3.71 0.00 -1.26 -4.91 121.76 122.84 3m4p s ALA 90 Ca 0.62 0.05 0.34 0.00 0.00 0.00 0.00 51.96 52.97 3m4p s ALA 90 Cb -0.36 -3.21 1.93 0.00 0.00 0.00 0.00 23.12 21.49 3m4p s ALA 90 CO 0.32 -1.91 2.18 0.78 0.00 0.00 0.00 175.76 177.13 3m4p h GLY 91 N -1.23 0.00 0.15 0.00 0.00 -2.05 -3.09 103.07 96.85 3m4p h GLY 91 Ca -0.46 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 46.86 3m4p h GLY 91 CO 0.54 0.00 -0.07 0.07 0.00 0.00 0.00 176.54 177.08 3m4p h LYS 92 N 0.00 -0.20 -5.85 4.80 2.10 -2.03 -3.48 116.57 111.91 3m4p h LYS 92 Ca 0.03 0.01 -0.51 0.00 -2.00 0.00 0.00 60.65 58.18 3m4p h LYS 92 Cb 0.29 0.04 -0.16 0.00 -0.90 0.00 0.00 32.23 31.51 3m4p h LYS 92 CO -0.00 -0.13 -0.76 0.54 -2.00 0.00 0.00 179.45 177.10 3m4p s ASN 93 N -2.71 2.85 0.40 7.07 4.22 -1.17 -5.16 114.94 120.44 3m4p s ASN 93 Ca -0.03 -0.97 0.08 0.00 -2.14 0.00 0.00 52.86 49.80 3m4p s ASN 93 Cb 0.00 -0.18 -0.00 0.00 1.28 0.00 0.00 41.25 42.35 3m4p s ASN 93 CO 0.09 -0.07 0.50 -1.00 -2.04 0.00 0.00 177.10 174.58 3m4p s HIS 94 N -2.53 2.84 0.83 1.54 3.76 -1.26 -4.11 115.29 116.36 3m4p s HIS 94 Ca 0.22 -0.39 -0.11 0.00 -0.15 0.00 0.00 55.06 54.63 3m4p s HIS 94 Cb -0.03 -2.25 0.09 0.00 1.11 0.00 0.00 32.58 31.50 3m4p s HIS 94 CO 0.09 -0.26 1.09 -1.25 -0.85 0.00 0.00 174.74 173.55 3m4p s PRO 95 N -4.26 1.75 0.71 8.40 0.04 -1.26 -5.04 135.00 135.34 3m4p s PRO 95 Ca 0.51 1.00 -0.13 0.00 0.04 0.00 0.00 61.00 62.42 3m4p s PRO 95 Cb -0.08 -1.85 0.02 0.00 0.04 0.00 0.00 34.50 32.63 3m4p s PRO 95 CO 0.31 -1.95 1.10 -1.25 0.04 0.00 0.00 177.00 175.25 3m4p s PRO 96 N -4.92 2.58 -1.35 0.56 0.04 -1.26 -4.91 135.00 125.74 3m4p s PRO 96 Ca 0.62 1.28 -0.17 0.00 0.04 0.00 0.00 61.00 62.78 3m4p s PRO 96 Cb -0.18 -1.93 0.06 0.00 0.04 0.00 0.00 34.50 32.49 3m4p s PRO 96 CO 0.56 -1.41 1.91 -1.91 0.04 0.00 0.00 177.00 176.19 3m4p n GLU 97 N -2.90 3.08 -4.48 4.56 2.13 -1.26 -4.90 120.64 116.87 3m4p n GLU 97 Ca 0.10 -3.05 -0.22 0.00 0.66 0.00 0.00 57.16 54.64 3m4p n GLU 97 Cb 0.52 -3.43 -0.14 0.00 0.27 0.00 0.00 31.44 28.67 3m4p n GLU 97 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 3m4p s ILE 98 N 3.89 1.34 0.51 6.31 1.01 -1.26 -5.13 121.20 127.86 3m4p s ILE 98 Ca 0.52 -1.07 -0.22 0.00 0.00 0.00 0.00 60.65 59.88 3m4p s ILE 98 Cb 0.07 -1.18 -0.06 0.00 0.01 0.00 0.00 42.46 41.30 3m4p s ILE 98 CO 0.02 0.10 1.24 0.00 0.00 0.00 0.00 174.94 176.30 3m4p s ALA 99 N -0.81 2.87 -1.34 9.38 0.00 -1.26 -2.99 121.76 127.61 3m4p s ALA 99 Ca 0.04 1.09 0.00 0.00 0.00 0.00 0.00 51.96 53.10 3m4p s ALA 99 Cb -0.08 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 19.58 3m4p s ALA 99 CO 0.01 -0.98 0.00 -0.25 0.00 0.00 0.00 175.76 174.54 3m4p n ASP 100 N -0.80 -4.12 -4.75 0.00 8.00 -1.26 -4.47 116.55 109.14 3m4p n ASP 100 Ca 0.09 0.23 -0.41 0.00 0.71 0.00 0.00 54.79 55.42 3m4p n ASP 100 Cb 0.47 -3.60 -0.04 0.00 -0.02 0.00 0.00 41.12 37.93 3m4p n ASP 100 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 3m4p s ILE 101 N -2.51 3.38 0.25 0.53 1.10 -1.16 -1.37 121.20 121.43 3m4p s ILE 101 Ca 0.00 1.31 -0.30 0.00 -0.51 0.00 0.00 60.65 61.16 3m4p s ILE 101 Cb 0.00 -3.84 -0.09 0.00 0.15 0.00 0.00 42.46 38.68 3m4p s ILE 101 CO 0.00 0.28 1.22 -0.22 -2.11 0.00 0.00 174.94 174.11 3m4p s LEU 102 N -1.13 4.47 0.00 8.50 2.96 -0.62 -4.90 118.68 127.96 3m4p s LEU 102 Ca 0.48 2.39 0.00 0.00 -0.22 0.00 0.00 54.13 56.78 3m4p s LEU 102 Cb -0.33 -3.62 0.00 0.00 0.50 0.00 0.00 46.19 42.73 3m4p s LEU 102 CO 0.42 -0.38 0.93 -3.20 -1.32 0.00 0.00 176.35 172.80 3m4p n ASN 103 N 1.75 2.75 -3.82 3.68 2.85 -1.26 -4.74 115.26 116.47 3m4p n ASN 103 Ca 0.02 -1.97 -0.12 0.00 -0.11 0.00 0.00 54.58 52.40 3m4p n ASN 103 Cb 0.44 -0.49 -0.10 0.00 1.24 0.00 0.00 39.78 40.87 3m4p n ASN 103 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 3m4p s LEU 104 N 0.00 1.24 -0.08 1.20 1.43 -1.26 -4.42 118.68 116.79 3m4p s LEU 104 Ca 0.00 -0.02 0.01 0.00 -1.03 0.00 0.00 54.13 53.09 3m4p s LEU 104 Cb 0.00 0.91 -0.03 0.00 0.03 0.00 0.00 46.19 47.10 3m4p s LEU 104 CO 0.00 -0.37 -0.09 -0.70 0.23 0.00 0.00 176.35 175.43 3m4p s GLU 105 N -1.19 2.84 -0.22 1.70 2.12 -0.19 -4.60 118.70 119.17 3m4p s GLU 105 Ca -0.13 -0.59 -0.14 0.00 0.36 0.00 0.00 54.97 54.48 3m4p s GLU 105 Cb -0.06 -2.58 -0.04 0.00 0.26 0.00 0.00 34.13 31.70 3m4p s GLU 105 CO 0.02 0.58 0.31 1.41 -0.54 0.00 0.00 175.26 177.04 3m4p s MET 106 N -0.58 4.13 -0.31 4.30 -2.45 -0.89 0.40 119.30 123.91 3m4p s MET 106 Ca 0.09 0.03 -0.17 0.00 -1.25 0.00 0.00 55.69 54.38 3m4p s MET 106 Cb -0.12 -3.54 -0.02 0.00 1.25 0.00 0.00 34.83 32.40 3m4p s MET 106 CO 0.02 -0.01 0.47 1.14 1.05 0.00 0.00 175.02 177.69 3m4p s GLN 107 N 1.25 3.82 0.14 4.11 -2.07 -0.18 -1.02 119.66 125.71 3m4p s GLN 107 Ca 0.15 -0.01 -0.30 0.00 -1.82 0.00 0.00 55.36 53.38 3m4p s GLN 107 Cb -0.14 -3.73 -0.07 0.00 -1.09 0.00 0.00 33.01 27.98 3m4p s GLN 107 CO 0.07 -0.48 1.03 0.08 -1.32 0.00 0.00 175.29 174.67 3m4p s VAL 108 N 2.28 4.20 -0.24 3.63 1.01 -0.38 -1.13 120.40 129.76 3m4p s VAL 108 Ca 0.18 1.85 0.06 0.00 0.00 0.00 0.00 61.98 64.07 3m4p s VAL 108 Cb -0.16 -4.18 -0.18 0.00 0.00 0.00 0.00 36.38 31.86 3m4p s VAL 108 CO 0.11 0.30 -0.15 0.35 0.00 0.00 0.00 175.10 175.71 3m4p n THR 109 N 2.62 1.42 -3.60 3.92 -2.24 0.12 -4.66 114.28 111.85 3m4p n THR 109 Ca 0.03 -0.62 -0.11 0.00 -2.27 0.00 0.00 64.05 61.08 3m4p n THR 109 Cb 0.48 -1.16 -0.04 0.00 -2.10 0.00 0.00 70.33 67.51 3m4p n THR 109 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 3m4p s GLU 110 N -2.50 1.13 0.14 -0.78 -1.05 -0.77 -5.04 118.70 109.83 3m4p s GLU 110 Ca -0.28 -0.67 -0.23 0.00 -0.15 0.00 0.00 54.97 53.64 3m4p s GLU 110 Cb 0.08 0.50 0.07 0.00 -0.44 0.00 0.00 34.13 34.33 3m4p s GLU 110 CO 0.64 -0.45 0.60 1.67 0.95 0.00 0.00 175.26 178.66 3m4p s TRP 111 N -3.80 -0.53 -0.21 4.83 1.48 -1.26 -0.26 118.94 119.18 3m4p s TRP 111 Ca 0.03 0.37 -0.22 0.00 -1.06 0.00 0.00 56.10 55.22 3m4p s TRP 111 Cb 0.01 0.54 0.06 0.00 -1.16 0.00 0.00 33.47 32.92 3m4p s TRP 111 CO -0.12 -0.82 0.62 -1.59 -4.06 0.00 0.00 176.95 170.98 3m4p s LYS 112 N -3.56 0.76 0.04 3.25 -2.85 -0.78 -5.02 119.74 111.58 3m4p s LYS 112 Ca 0.00 0.78 -0.30 0.00 -1.00 0.00 0.00 55.97 55.44 3m4p s LYS 112 Cb -0.01 0.37 -0.05 0.00 -2.06 0.00 0.00 37.83 36.08 3m4p s LYS 112 CO -0.11 -0.11 1.20 0.08 0.10 0.00 0.00 175.35 176.50 3m4p s VAL 113 N 0.13 4.09 -0.19 1.79 1.01 -1.26 -2.02 120.40 123.94 3m4p s VAL 113 Ca -0.01 1.49 -0.17 0.00 0.00 0.00 0.00 61.98 63.29 3m4p s VAL 113 Cb -0.04 -3.96 -0.13 0.00 0.00 0.00 0.00 36.38 32.25 3m4p s VAL 113 CO 0.02 0.10 0.04 -0.38 0.00 0.00 0.00 175.10 174.87 3m4p n ILE 114 N 4.04 1.50 -4.06 2.22 5.41 -0.07 -4.90 119.36 123.51 3m4p n ILE 114 Ca 0.09 0.03 -0.25 0.00 1.00 0.00 0.00 62.75 63.62 3m4p n ILE 114 Cb 0.46 -2.15 -0.17 0.00 -0.71 0.00 0.00 39.64 37.08 3m4p n ILE 114 CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 3m4p s GLY 115 N -4.71 0.72 1.09 7.39 0.00 -1.22 -5.00 107.32 105.59 3m4p s GLY 115 Ca -0.25 -0.40 -0.14 0.00 0.00 0.00 0.00 44.72 43.93 3m4p s GLY 115 CO 0.46 0.67 1.08 -0.54 0.00 0.00 0.00 173.10 174.77 3m4p s GLU 116 N 1.43 -0.35 -0.34 2.90 2.02 -1.26 -1.56 118.70 121.54 3m4p s GLU 116 Ca -0.01 0.41 0.02 0.00 0.02 0.00 0.00 54.97 55.41 3m4p s GLU 116 Cb -0.13 -1.66 0.15 0.00 0.10 0.00 0.00 34.13 32.59 3m4p s GLU 116 CO -0.04 -3.23 0.38 0.45 0.02 0.00 0.00 175.26 172.84 3m4p s SER 117 N -3.38 0.90 0.70 -0.19 0.15 -1.26 -4.77 113.70 105.85 3m4p s SER 117 Ca 0.67 -1.08 -0.17 0.00 0.70 0.00 0.00 55.95 56.08 3m4p s SER 117 Cb -0.18 0.78 -0.06 0.00 -1.71 0.00 0.00 66.02 64.85 3m4p s SER 117 CO 0.59 -0.30 0.43 -2.65 1.20 0.00 0.00 173.24 172.51 3m4p n PRO 118 N 4.74 0.30 0.26 5.44 -0.02 -1.26 -4.65 135.00 139.80 3m4p n PRO 118 Ca 0.06 0.14 0.15 0.00 -2.02 0.00 0.00 63.50 61.83 3m4p n PRO 118 Cb 0.47 -1.72 0.59 0.00 -0.02 0.00 0.00 33.50 32.82 3m4p n PRO 118 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 3m4p h ILE 119 N -0.28 0.12 0.00 4.25 2.04 -2.01 -2.81 117.51 118.82 3m4p h ILE 119 Ca -0.45 -0.69 0.00 0.00 1.00 0.00 0.00 64.86 64.72 3m4p h ILE 119 Cb 1.36 1.61 0.00 0.00 -0.74 0.00 0.00 36.82 39.05 3m4p h ILE 119 CO 0.42 0.05 0.00 -0.90 0.00 0.00 0.00 178.15 177.72 3m4p n ASP 120 N -3.16 0.00 -0.02 1.72 5.68 -1.26 -0.52 116.55 118.99 3m4p n ASP 120 Ca 0.01 -0.20 0.03 0.00 -0.50 0.00 0.00 54.79 54.12 3m4p n ASP 120 Cb 0.35 -0.02 0.38 0.00 -1.14 0.00 0.00 41.12 40.70 3m4p n ASP 120 CO 0.00 0.00 0.00 0.25 -1.33 0.00 0.00 177.20 176.12 3m4p h LEU 121 N 0.00 0.51 -1.89 -2.12 5.85 -1.86 -3.21 115.31 112.59 3m4p h LEU 121 Ca 0.00 -0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.67 3m4p h LEU 121 Cb 0.00 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 40.90 3m4p h LEU 121 CO 0.00 0.41 -0.13 -0.33 -0.34 0.00 0.00 178.44 178.05 3m4p h GLU 122 N 0.59 0.00 -0.12 1.25 4.39 -1.07 -2.71 114.58 116.90 3m4p h GLU 122 Ca 0.15 0.00 -0.22 0.00 0.34 0.00 0.00 59.36 59.63 3m4p h GLU 122 Cb 0.00 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.66 3m4p h GLU 122 CO -0.03 0.13 -0.81 -0.91 -1.16 0.00 0.00 179.01 176.23 3m4p h ASN 123 N 0.00 0.87 -0.90 1.42 2.35 -1.75 -3.35 115.58 114.21 3m4p h ASN 123 Ca -0.00 -0.59 0.06 0.00 -0.55 0.00 0.00 56.30 55.22 3m4p h ASN 123 Cb 0.29 -0.26 -0.06 0.00 0.05 0.00 0.00 38.32 38.34 3m4p h ASN 123 CO 0.02 1.38 0.57 0.40 -1.65 0.00 0.00 177.43 178.15 3m4p h ILE 124 N 0.48 1.07 -3.13 2.81 2.04 -1.60 -3.40 117.51 115.78 3m4p h ILE 124 Ca -0.06 -0.36 -0.35 0.00 1.00 0.00 0.00 64.86 65.09 3m4p h ILE 124 Cb 1.44 -0.07 -0.38 0.00 -0.74 0.00 0.00 36.82 37.07 3m4p h ILE 124 CO 0.16 0.19 -0.69 -0.63 0.00 0.00 0.00 178.15 177.18 3m4p s ILE 125 N -6.06 -0.18 0.22 -0.67 -1.09 -1.25 -4.88 121.20 107.29 3m4p s ILE 125 Ca -0.13 0.28 -0.01 0.00 -2.23 0.00 0.00 60.65 58.57 3m4p s ILE 125 Cb 0.19 -0.30 0.00 0.00 -1.58 0.00 0.00 42.46 40.77 3m4p s ILE 125 CO 0.80 0.08 0.30 -0.46 -1.23 0.00 0.00 174.94 174.43 3m4p n ASN 126 N 5.31 -0.83 -0.13 3.58 0.23 -1.26 -4.81 115.26 117.35 3m4p n ASN 126 Ca -0.04 -2.21 -0.03 0.00 -0.53 0.00 0.00 54.58 51.76 3m4p n ASN 126 Cb 0.50 1.57 -0.03 0.00 -2.08 0.00 0.00 39.78 39.73 3m4p n ASN 126 CO 0.00 0.00 0.00 2.29 -0.93 0.00 0.00 177.26 178.62 3m4p n LYS 127 N -0.37 -0.13 -2.14 -3.83 -0.00 -1.26 -2.50 118.16 107.93 3m4p n LYS 127 Ca 0.01 0.96 -0.39 0.00 -0.00 0.00 0.00 58.31 58.89 3m4p n LYS 127 Cb 0.37 -1.43 0.03 0.00 -0.00 0.00 0.00 35.03 34.00 3m4p n LYS 127 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 3m4p n ASP 128 N -3.64 7.29 -4.77 -5.58 5.68 -1.26 -4.95 116.55 109.32 3m4p n ASP 128 Ca 0.01 -3.80 -0.39 0.00 -0.50 0.00 0.00 54.79 50.11 3m4p n ASP 128 Cb 0.08 -1.05 -0.06 0.00 -1.14 0.00 0.00 41.12 38.95 3m4p n ASP 128 CO 0.00 0.00 0.00 -0.44 -1.33 0.00 0.00 177.20 175.43 3m4p s SER 129 N -1.32 6.94 1.14 -1.12 0.01 -1.04 -5.08 113.70 113.22 3m4p s SER 129 Ca 0.49 1.12 -0.15 0.00 1.31 0.00 0.00 55.95 58.71 3m4p s SER 129 Cb 0.38 -2.35 0.26 0.00 0.21 0.00 0.00 66.02 64.52 3m4p s SER 129 CO -0.33 0.12 1.07 -0.94 0.41 0.00 0.00 173.24 173.57 3m4p s SER 130 N -0.25 1.40 0.01 2.44 1.04 -1.26 -4.85 113.70 112.24 3m4p s SER 130 Ca 0.30 1.04 -0.25 0.00 0.48 0.00 0.00 55.95 57.52 3m4p s SER 130 Cb -0.18 -1.58 -0.18 0.00 0.10 0.00 0.00 66.02 64.17 3m4p s SER 130 CO 0.16 -3.87 1.39 0.40 0.98 0.00 0.00 173.24 172.30 3m4p h ILE 131 N -2.40 1.15 -0.94 -1.02 2.04 -1.99 -2.64 117.51 111.71 3m4p h ILE 131 Ca -0.53 -0.73 0.17 0.00 1.00 0.00 0.00 64.86 64.77 3m4p h ILE 131 Cb 1.33 1.63 -0.10 0.00 -0.74 0.00 0.00 36.82 38.94 3m4p h ILE 131 CO 0.47 0.18 0.54 -0.65 0.00 0.00 0.00 178.15 178.70 3m4p h PRO 132 N -0.41 0.71 -0.99 2.37 0.11 -1.99 -0.26 132.00 131.54 3m4p h PRO 132 Ca -0.01 -0.04 0.03 0.00 0.11 0.00 0.00 66.00 66.09 3m4p h PRO 132 Cb 0.36 -0.16 -0.06 0.00 0.11 0.00 0.00 31.00 31.26 3m4p h PRO 132 CO 0.01 0.47 0.65 0.37 -0.21 0.00 0.00 178.00 179.29 3m4p h GLN 133 N 0.73 1.24 0.00 1.05 4.15 -1.90 0.11 115.11 120.49 3m4p h GLN 133 Ca 0.53 -0.07 -0.08 0.00 0.77 0.00 0.00 58.65 59.80 3m4p h GLN 133 Cb 0.77 -0.28 -0.01 0.00 0.21 0.00 0.00 27.48 28.17 3m4p h GLN 133 CO -0.37 0.82 -0.37 0.87 -1.93 0.00 0.00 178.83 177.85 3m4p h LYS 134 N 1.28 0.00 0.10 1.69 1.57 -0.72 -2.39 116.57 118.09 3m4p h LYS 134 Ca 0.39 0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.90 3m4p h LYS 134 Cb -0.04 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 3m4p h LYS 134 CO -0.11 0.37 -1.39 0.52 -0.57 0.00 0.00 179.45 178.27 3m4p h MET 135 N 0.00 0.20 -0.62 3.15 2.86 -0.86 -2.66 114.93 116.99 3m4p h MET 135 Ca -0.00 -0.34 0.12 0.00 -2.06 0.00 0.00 59.70 57.41 3m4p h MET 135 Cb 1.03 0.13 -0.09 0.00 0.06 0.00 0.00 31.60 32.73 3m4p h MET 135 CO 0.05 1.16 0.12 0.37 1.06 0.00 0.00 176.91 179.67 3m4p h GLN 136 N -0.39 0.24 -1.56 1.72 5.75 -0.84 -2.01 115.11 118.00 3m4p h GLN 136 Ca -0.31 -0.01 -0.70 0.00 -0.15 0.00 0.00 58.65 57.48 3m4p h GLN 136 Cb 1.69 -0.05 -0.32 0.00 1.07 0.00 0.00 27.48 29.87 3m4p h GLN 136 CO 0.02 0.16 0.53 0.09 -2.65 0.00 0.00 178.83 176.98 3m4p n ASN 137 N -5.15 6.84 0.22 -0.69 3.02 -0.90 -4.38 115.26 114.22 3m4p n ASN 137 Ca 0.10 -3.80 0.08 0.00 -0.03 0.00 0.00 54.58 50.92 3m4p n ASN 137 Cb 0.35 -0.87 0.53 0.00 -0.61 0.00 0.00 39.78 39.18 3m4p n ASN 137 CO 0.00 0.00 0.00 -0.09 -2.62 0.00 0.00 177.26 174.55 3m4p h ARG 138 N 2.61 0.00 -0.35 3.52 2.43 -0.98 -1.89 114.38 119.73 3m4p h ARG 138 Ca 0.51 0.00 0.10 0.00 -0.81 0.00 0.00 59.98 59.78 3m4p h ARG 138 Cb 0.51 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.04 3m4p h ARG 138 CO 1.31 0.23 0.25 1.12 -1.51 0.00 0.00 179.97 181.37 3m4p h HIS 139 N 0.00 0.00 0.20 2.20 2.07 -1.84 0.40 115.15 118.17 3m4p h HIS 139 Ca -0.00 0.00 -0.29 0.00 -2.85 0.00 0.00 60.37 57.23 3m4p h HIS 139 Cb 0.50 -0.00 0.03 0.00 2.57 0.00 0.00 27.41 30.51 3m4p h HIS 139 CO 0.00 0.00 -1.25 0.82 -3.07 0.00 0.00 177.93 174.43 3m4p h ILE 140 N 0.00 1.34 -0.10 6.12 1.08 -1.72 -3.36 117.51 120.88 3m4p h ILE 140 Ca 0.16 -2.60 -0.04 0.00 -0.39 0.00 0.00 64.86 62.00 3m4p h ILE 140 Cb 0.66 3.01 -0.01 0.00 -3.07 0.00 0.00 36.82 37.42 3m4p h ILE 140 CO -0.00 0.77 -0.11 0.58 -0.69 0.00 0.00 178.15 178.70 3m4p h VAL 141 N 0.03 1.14 0.00 1.67 2.07 -0.58 -1.89 116.25 118.69 3m4p h VAL 141 Ca -0.21 -0.60 0.00 0.00 0.82 0.00 0.00 66.70 66.70 3m4p h VAL 141 Cb 1.97 1.19 0.00 0.00 -1.52 0.00 0.00 31.29 32.93 3m4p h VAL 141 CO 0.24 0.19 0.00 2.30 0.02 0.00 0.00 177.57 180.31 3m4p n ILE 142 N -4.33 0.88 1.49 4.57 -5.35 0.11 -1.46 119.36 115.27 3m4p n ILE 142 Ca -0.01 0.23 0.14 0.00 -0.27 0.00 0.00 62.75 62.84 3m4p n ILE 142 Cb 0.23 -1.08 0.68 0.00 -1.74 0.00 0.00 39.64 37.72 3m4p n ILE 142 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 3m4p n ARG 143 N -1.96 0.74 -2.60 6.28 1.74 -0.71 -3.46 116.66 116.69 3m4p n ARG 143 Ca 0.03 -0.20 -0.35 0.00 -0.77 0.00 0.00 57.85 56.55 3m4p n ARG 143 Cb 0.21 -1.50 -0.04 0.00 -1.02 0.00 0.00 32.46 30.11 3m4p n ARG 143 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3m4p s SER 144 N -2.40 6.63 0.17 0.55 1.04 -0.54 -4.91 113.70 114.24 3m4p s SER 144 Ca 0.32 1.92 -0.18 0.00 0.48 0.00 0.00 55.95 58.49 3m4p s SER 144 Cb 0.20 -2.57 0.10 0.00 0.10 0.00 0.00 66.02 63.86 3m4p s SER 144 CO 0.45 -0.58 1.65 -0.08 0.98 0.00 0.00 173.24 175.66 3m4p h GLU 145 N 2.01 -0.07 -0.19 4.02 4.81 -1.88 -0.55 114.58 122.74 3m4p h GLU 145 Ca -0.49 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 58.73 3m4p h GLU 145 Cb 1.21 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.60 3m4p h GLU 145 CO 0.61 -0.05 0.04 1.25 -0.73 0.00 0.00 179.01 180.13 3m4p h HIS 146 N -0.07 0.32 -0.26 0.92 2.76 -1.93 -1.52 115.15 115.37 3m4p h HIS 146 Ca 0.19 -0.04 -0.10 0.00 -2.20 0.00 0.00 60.37 58.23 3m4p h HIS 146 Cb 0.37 -0.09 -0.00 0.00 1.55 0.00 0.00 27.41 29.23 3m4p h HIS 146 CO -0.40 0.44 -0.22 1.15 -1.30 0.00 0.00 177.93 177.60 3m4p h THR 147 N 0.11 1.31 -0.52 6.26 2.02 -1.79 -2.14 112.91 118.17 3m4p h THR 147 Ca 0.06 -1.37 0.09 0.00 0.77 0.00 0.00 66.41 65.96 3m4p h THR 147 Cb 0.28 1.61 -0.10 0.00 -1.74 0.00 0.00 68.15 68.20 3m4p h THR 147 CO 0.00 0.43 -0.36 -0.61 0.37 0.00 0.00 175.52 175.35 3m4p h GLN 148 N 0.34 -0.21 -0.46 6.66 4.15 -1.03 -1.79 115.11 122.76 3m4p h GLN 148 Ca 0.05 0.01 -0.05 0.00 0.77 0.00 0.00 58.65 59.43 3m4p h GLN 148 Cb 0.77 0.05 -0.02 0.00 0.21 0.00 0.00 27.48 28.49 3m4p h GLN 148 CO 0.06 -0.14 0.09 1.96 -1.93 0.00 0.00 178.83 178.87 3m4p h GLN 149 N -0.21 0.70 -0.46 1.69 1.08 -1.10 -1.04 115.11 115.77 3m4p h GLN 149 Ca 0.20 -0.14 -0.04 0.00 -1.45 0.00 0.00 58.65 57.22 3m4p h GLN 149 Cb 0.55 -0.11 -0.02 0.00 -0.05 0.00 0.00 27.48 27.86 3m4p h GLN 149 CO -0.63 0.66 0.15 0.28 -0.95 0.00 0.00 178.83 178.33 3m4p h VAL 150 N 0.68 1.22 -0.09 -0.54 2.07 -0.77 0.15 116.25 118.98 3m4p h VAL 150 Ca 0.15 -0.74 -0.12 0.00 0.82 0.00 0.00 66.70 66.81 3m4p h VAL 150 Cb 0.29 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 3m4p h VAL 150 CO 0.00 0.27 -0.49 -0.07 0.02 0.00 0.00 177.57 177.30 3m4p h LEU 151 N 0.61 0.25 -0.19 2.57 3.38 -0.82 0.40 115.31 121.51 3m4p h LEU 151 Ca 0.15 -0.12 -0.09 0.00 0.09 0.00 0.00 57.88 57.91 3m4p h LEU 151 Cb 0.26 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 3m4p h LEU 151 CO -0.01 0.70 -0.23 1.56 0.09 0.00 0.00 178.44 180.56 3m4p h GLN 152 N 0.19 0.48 -0.58 1.13 4.20 -0.94 -2.41 115.11 117.17 3m4p h GLN 152 Ca 0.01 -0.27 -0.03 0.00 0.06 0.00 0.00 58.65 58.42 3m4p h GLN 152 Cb 0.93 0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.70 3m4p h GLN 152 CO 0.07 0.85 0.26 -0.07 -0.67 0.00 0.00 178.83 179.28 3m4p h LEU 153 N 0.14 0.75 -0.93 1.46 3.38 -0.57 -1.88 115.31 117.66 3m4p h LEU 153 Ca 0.02 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 3m4p h LEU 153 Cb 0.79 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.30 3m4p h LEU 153 CO 0.05 0.66 0.55 -0.09 0.09 0.00 0.00 178.44 179.70 3m4p h ARG 154 N 0.83 1.28 -0.62 1.13 2.43 -0.89 0.03 114.38 118.56 3m4p h ARG 154 Ca 0.20 -0.12 -0.01 0.00 -0.81 0.00 0.00 59.98 59.24 3m4p h ARG 154 Cb 0.12 -0.26 -0.03 0.00 -0.42 0.00 0.00 29.97 29.38 3m4p h ARG 154 CO -0.02 0.90 0.37 1.03 -1.51 0.00 0.00 179.97 180.73 3m4p h SER 155 N 1.29 0.76 -0.33 -3.80 0.87 -0.83 -1.61 113.55 109.90 3m4p h SER 155 Ca 0.33 -0.07 -0.04 0.00 -1.23 0.00 0.00 61.79 60.79 3m4p h SER 155 Cb -0.03 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 61.72 3m4p h SER 155 CO -0.06 0.60 0.06 -0.33 -0.53 0.00 0.00 176.83 176.58 3m4p h GLU 156 N 0.84 0.54 -0.52 2.24 4.39 -1.04 -1.59 114.58 119.44 3m4p h GLU 156 Ca 0.22 -0.14 0.07 0.00 0.34 0.00 0.00 59.36 59.85 3m4p h GLU 156 Cb -0.00 -0.07 -0.06 0.00 -0.10 0.00 0.00 28.75 28.52 3m4p h GLU 156 CO -0.04 0.62 0.21 0.82 -1.16 0.00 0.00 179.01 179.46 3m4p h ILE 157 N 0.37 0.86 -0.75 3.13 2.04 -0.74 -1.38 117.51 121.05 3m4p h ILE 157 Ca 0.10 -0.14 -0.02 0.00 1.00 0.00 0.00 64.86 65.80 3m4p h ILE 157 Cb 0.33 0.41 -0.04 0.00 -0.74 0.00 0.00 36.82 36.79 3m4p h ILE 157 CO 0.00 0.07 0.38 1.56 0.00 0.00 0.00 178.15 180.17 3m4p h GLN 158 N 0.41 1.06 -0.07 2.37 4.20 -1.17 -1.72 115.11 120.18 3m4p h GLN 158 Ca 0.25 -0.14 0.03 0.00 0.06 0.00 0.00 58.65 58.85 3m4p h GLN 158 Cb 0.24 -0.20 -0.03 0.00 0.30 0.00 0.00 27.48 27.79 3m4p h GLN 158 CO -0.23 0.80 -0.11 2.35 -0.67 0.00 0.00 178.83 180.97 3m4p h TRP 159 N 1.06 -0.27 0.00 2.96 2.91 -0.26 -1.25 115.95 121.10 3m4p h TRP 159 Ca 0.26 0.01 -0.08 0.00 1.13 0.00 0.00 58.89 60.21 3m4p h TRP 159 Cb 0.08 0.13 -0.01 0.00 -0.51 0.00 0.00 29.16 28.85 3m4p h TRP 159 CO 0.01 -0.17 -0.40 1.88 -1.03 0.00 0.00 178.44 178.74 3m4p h TYR 160 N -0.15 0.00 0.32 2.65 0.05 -1.01 0.26 116.97 119.09 3m4p h TYR 160 Ca 0.07 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.83 3m4p h TYR 160 Cb 0.24 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.99 3m4p h TYR 160 CO -0.21 0.40 -0.15 0.74 -1.05 0.00 0.00 178.16 177.89 3m4p h PHE 161 N 0.00 -0.40 -0.66 4.88 0.04 -1.01 -0.98 116.94 118.82 3m4p h PHE 161 Ca -0.00 -0.01 0.03 0.00 2.80 0.00 0.00 57.97 60.78 3m4p h PHE 161 Cb 0.80 0.13 -0.04 0.00 2.20 0.00 0.00 35.95 39.04 3m4p h PHE 161 CO 0.00 -0.23 0.41 0.00 -0.60 0.00 0.00 178.31 177.89 3m4p h ARG 162 N -0.46 0.79 -0.93 1.51 3.08 -0.64 -1.96 114.38 115.77 3m4p h ARG 162 Ca -0.04 -0.05 0.03 0.00 0.07 0.00 0.00 59.98 59.99 3m4p h ARG 162 Cb 0.35 -0.18 -0.05 0.00 0.08 0.00 0.00 29.97 30.17 3m4p h ARG 162 CO 0.07 0.52 0.61 -0.22 -1.07 0.00 0.00 179.97 179.89 3m4p h LYS 163 N 0.81 1.15 -0.30 0.04 3.64 -0.45 -1.73 116.57 119.73 3m4p h LYS 163 Ca 0.26 -0.07 0.01 0.00 -1.27 0.00 0.00 60.65 59.59 3m4p h LYS 163 Cb 0.01 -0.26 -0.02 0.00 -0.41 0.00 0.00 32.23 31.55 3m4p h LYS 163 CO -0.10 0.76 0.17 -0.92 -2.27 0.00 0.00 179.45 177.09 3m4p h TYR 164 N 1.19 0.32 0.00 1.91 3.20 -0.41 -0.00 116.97 123.17 3m4p h TYR 164 Ca 0.36 0.01 -0.08 0.00 3.14 0.00 0.00 58.73 62.16 3m4p h TYR 164 Cb -0.02 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.14 3m4p h TYR 164 CO -0.00 0.19 -0.39 1.88 -1.64 0.00 0.00 178.16 178.19 3m4p h TYR 165 N 0.35 0.00 -0.03 -3.82 0.05 -1.04 -0.73 116.97 111.75 3m4p h TYR 165 Ca 0.12 0.00 -0.10 0.00 0.05 0.00 0.00 58.73 58.80 3m4p h TYR 165 Cb 0.01 0.00 0.01 0.00 1.01 0.00 0.00 36.73 37.75 3m4p h TYR 165 CO -0.08 0.39 -0.36 1.25 -1.05 0.00 0.00 178.16 178.31 3m4p h HIS 166 N 0.00 0.42 -0.88 4.88 2.76 -1.09 0.21 115.15 121.46 3m4p h HIS 166 Ca -0.00 -0.21 0.08 0.00 -2.20 0.00 0.00 60.37 58.04 3m4p h HIS 166 Cb 0.73 -0.06 -0.07 0.00 1.55 0.00 0.00 27.41 29.57 3m4p h HIS 166 CO 0.00 0.99 0.54 -0.44 -1.30 0.00 0.00 177.93 177.72 3m4p h ASP 167 N -0.26 0.81 -0.50 3.26 3.32 -0.71 -2.40 116.42 119.94 3m4p h ASP 167 Ca -0.04 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.04 3m4p h ASP 167 Cb 1.07 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.48 3m4p h ASP 167 CO 0.07 0.49 0.00 0.59 -1.72 0.00 0.00 179.24 178.67 3m4p n ASN 168 N -4.65 3.47 -2.98 6.45 3.02 -0.31 -4.95 115.26 115.32 3m4p n ASN 168 Ca 0.14 -2.24 -0.19 0.00 -0.03 0.00 0.00 54.58 52.26 3m4p n ASN 168 Cb 0.24 -0.46 0.06 0.00 -0.61 0.00 0.00 39.78 39.01 3m4p n ASN 168 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 3m4p n HIS 169 N 0.87 -2.29 -3.10 3.10 8.25 -0.84 -5.01 115.22 116.21 3m4p n HIS 169 Ca 0.19 0.81 -0.39 0.00 -0.26 0.00 0.00 57.72 58.07 3m4p n HIS 169 Cb 0.63 -4.25 -0.06 0.00 1.12 0.00 0.00 29.99 27.44 3m4p n HIS 169 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 3m4p s PHE 170 N -3.26 3.77 -0.20 4.41 0.08 0.69 -4.77 117.98 118.70 3m4p s PHE 170 Ca 0.45 1.39 -0.24 0.00 0.12 0.00 0.00 56.93 58.64 3m4p s PHE 170 Cb -0.20 -2.69 -0.01 0.00 -0.57 0.00 0.00 43.02 39.55 3m4p s PHE 170 CO 0.58 0.40 0.79 0.99 -0.10 0.00 0.00 175.22 177.89 3m4p s THR 171 N -0.49 4.89 0.30 0.64 2.01 -0.29 -4.60 115.64 118.09 3m4p s THR 171 Ca 0.34 1.52 -0.28 0.00 0.31 0.00 0.00 61.69 63.58 3m4p s THR 171 Cb -0.20 -4.09 -0.09 0.00 0.01 0.00 0.00 72.50 68.12 3m4p s THR 171 CO 0.21 0.00 1.05 -0.70 -0.69 0.00 0.00 174.62 174.50 3m4p s GLU 172 N 2.36 4.59 0.23 4.92 2.12 -1.26 -1.19 118.70 130.47 3m4p s GLU 172 Ca 0.35 1.67 0.05 0.00 0.36 0.00 0.00 54.97 57.40 3m4p s GLU 172 Cb -0.16 -3.06 -0.05 0.00 0.26 0.00 0.00 34.13 31.11 3m4p s GLU 172 CO 0.10 0.21 -0.06 0.96 -0.54 0.00 0.00 175.26 175.93 3m4p s ILE 173 N -1.28 1.37 -0.67 -3.70 -4.36 -0.54 -4.91 121.20 107.11 3m4p s ILE 173 Ca 0.47 -2.10 0.05 0.00 -0.26 0.00 0.00 60.65 58.81 3m4p s ILE 173 Cb -0.28 -2.27 0.17 0.00 1.25 0.00 0.00 42.46 41.32 3m4p s ILE 173 CO 0.36 -0.41 0.48 1.67 0.24 0.00 0.00 174.94 177.28 3m4p n GLN 174 N -0.44 1.61 -1.26 0.37 -0.06 -1.26 -4.61 117.38 111.73 3m4p n GLN 174 Ca -0.06 -4.31 -0.30 0.00 -2.00 0.00 0.00 57.00 50.33 3m4p n GLN 174 Cb 0.63 -2.20 0.11 0.00 -4.06 0.00 0.00 30.24 24.72 3m4p n GLN 174 CO 0.00 0.00 0.00 -1.25 -0.20 0.00 0.00 177.06 175.61 3m4p s PRO 175 N -1.27 1.74 0.54 3.69 0.04 -1.26 -5.00 135.00 133.48 3m4p s PRO 175 Ca 0.26 0.94 -0.18 0.00 0.04 0.00 0.00 61.00 62.06 3m4p s PRO 175 Cb -0.03 -1.85 -0.06 0.00 0.04 0.00 0.00 34.50 32.59 3m4p s PRO 175 CO -0.17 -1.94 1.04 -1.25 0.04 0.00 0.00 177.00 174.71 3m4p s PRO 176 N -4.94 3.61 0.00 0.56 0.04 -1.26 -4.98 135.00 128.03 3m4p s PRO 176 Ca 0.62 1.24 0.11 0.00 0.04 0.00 0.00 61.00 63.01 3m4p s PRO 176 Cb -0.17 -2.07 -0.06 0.00 0.04 0.00 0.00 34.50 32.24 3m4p s PRO 176 CO 0.56 -0.57 0.58 0.25 0.04 0.00 0.00 177.00 177.86 3m4p n THR 177 N -1.51 0.00 -3.76 1.26 -2.24 -1.26 -4.89 114.28 101.89 3m4p n THR 177 Ca 0.09 -0.31 -0.37 0.00 -2.27 0.00 0.00 64.05 61.18 3m4p n THR 177 Cb 0.53 1.07 -0.13 0.00 -2.10 0.00 0.00 70.33 69.70 3m4p n THR 177 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3m4p s ILE 178 N -1.75 4.01 0.17 2.28 1.01 -1.26 -0.86 121.20 124.80 3m4p s ILE 178 Ca 0.07 -0.66 0.10 0.00 0.00 0.00 0.00 60.65 60.15 3m4p s ILE 178 Cb 0.09 -3.06 -0.04 0.00 0.01 0.00 0.00 42.46 39.46 3m4p s ILE 178 CO 0.36 0.09 -0.21 0.68 0.00 0.00 0.00 174.94 175.86 3m4p s VAL 179 N 1.51 2.07 -0.03 2.92 -7.23 -0.11 -4.94 120.40 114.58 3m4p s VAL 179 Ca 0.03 -1.93 0.12 0.00 -1.81 0.00 0.00 61.98 58.39 3m4p s VAL 179 Cb -0.17 -1.95 -0.17 0.00 0.56 0.00 0.00 36.38 34.65 3m4p s VAL 179 CO 0.03 -0.19 0.95 0.11 -0.31 0.00 0.00 175.10 175.69 3m4p h LYS 180 N 3.33 0.00 -7.32 4.82 1.57 -1.92 -2.25 116.57 114.81 3m4p h LYS 180 Ca -0.45 0.00 -0.41 0.00 -1.87 0.00 0.00 60.65 57.93 3m4p h LYS 180 Cb 1.20 0.00 0.20 0.00 0.08 0.00 0.00 32.23 33.71 3m4p h LYS 180 CO 0.48 0.58 0.08 0.95 -0.57 0.00 0.00 179.45 180.96 3m4p s THR 181 N -2.74 1.51 0.55 -0.16 -4.23 -1.26 -4.92 115.64 104.40 3m4p s THR 181 Ca -0.02 0.00 -0.07 0.00 -1.18 0.00 0.00 61.69 60.43 3m4p s THR 181 Cb 0.09 -2.39 0.12 0.00 1.34 0.00 0.00 72.50 71.65 3m4p s THR 181 CO 0.81 0.00 0.75 0.35 -0.54 0.00 0.00 174.62 175.99 3m4p n THR 188 N -4.96 0.00 -4.20 3.99 -2.24 -1.26 -5.10 114.28 100.51 3m4p n THR 188 Ca 0.13 -0.75 -0.12 0.00 -2.27 0.00 0.00 64.05 61.04 3m4p n THR 188 Cb 0.60 -1.46 -0.10 0.00 -2.10 0.00 0.00 70.33 67.26 3m4p n THR 188 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3m4p s LEU 189 N 0.00 1.24 -0.29 3.22 1.43 -1.26 -4.27 118.68 118.75 3m4p s LEU 189 Ca 0.45 -1.37 -0.25 0.00 -1.03 0.00 0.00 54.13 51.93 3m4p s LEU 189 Cb -0.02 0.36 0.00 0.00 0.03 0.00 0.00 46.19 46.57 3m4p s LEU 189 CO 0.31 -0.82 0.88 -0.36 0.23 0.00 0.00 176.35 176.59 3m4p s PHE 190 N -4.14 3.22 0.07 0.29 0.08 -1.26 -4.83 117.98 111.41 3m4p s PHE 190 Ca 0.37 1.01 -0.23 0.00 0.12 0.00 0.00 56.93 58.20 3m4p s PHE 190 Cb 0.07 -3.30 -0.06 0.00 -0.57 0.00 0.00 43.02 39.16 3m4p s PHE 190 CO 0.11 -0.58 0.71 -1.59 -0.10 0.00 0.00 175.22 173.77 3m4p s LYS 191 N 3.12 4.44 0.15 0.44 -2.85 -1.26 -1.81 119.74 121.98 3m4p s LYS 191 Ca 0.37 0.99 0.07 0.00 -1.00 0.00 0.00 55.97 56.39 3m4p s LYS 191 Cb -0.14 -3.32 -0.04 0.00 -2.06 0.00 0.00 37.83 32.27 3m4p s LYS 191 CO 0.12 0.41 -0.16 -0.48 0.10 0.00 0.00 175.35 175.35 3m4p s LEU 192 N -0.48 2.45 -0.52 2.77 2.34 0.11 -4.97 118.68 120.38 3m4p s LEU 192 Ca 0.35 -0.88 -0.20 0.00 0.06 0.00 0.00 54.13 53.46 3m4p s LEU 192 Cb -0.21 -0.67 0.05 0.00 -0.56 0.00 0.00 46.19 44.81 3m4p s LEU 192 CO 0.22 -0.11 0.70 -1.58 -1.06 0.00 0.00 176.35 174.52 3m4p s GLN 193 N -2.94 3.17 -1.00 1.48 2.00 -1.26 -0.69 119.66 120.41 3m4p s GLN 193 Ca 0.14 -0.75 -0.13 0.00 -2.00 0.00 0.00 55.36 52.63 3m4p s GLN 193 Cb -0.04 -4.09 0.22 0.00 0.80 0.00 0.00 33.01 29.90 3m4p s GLN 193 CO 0.05 -1.28 1.04 -0.47 -0.50 0.00 0.00 175.29 174.12 3m4p s TYR 194 N 2.94 3.83 0.00 1.67 5.04 -0.86 -4.93 117.35 125.03 3m4p s TYR 194 Ca 0.19 -2.19 0.00 0.00 -2.44 0.00 0.00 57.07 52.63 3m4p s TYR 194 Cb -0.18 -3.96 0.00 0.00 0.35 0.00 0.00 41.96 38.17 3m4p s TYR 194 CO 0.14 -1.10 0.00 1.19 -1.34 0.00 0.00 175.55 174.43 3m4p n PHE 195 N 4.09 0.00 0.14 4.97 3.72 -1.26 -3.18 117.46 125.94 3m4p n PHE 195 Ca 0.22 0.00 -0.00 0.00 -0.05 0.00 0.00 57.45 57.62 3m4p n PHE 195 Cb 0.44 0.03 0.16 0.00 -0.94 0.00 0.00 39.48 39.17 3m4p n PHE 195 CO 0.00 0.00 0.00 -0.91 -0.05 0.00 0.00 176.76 175.80 3m4p h ASN 196 N 5.49 0.00 -3.61 4.37 4.21 -2.03 -3.44 115.58 120.56 3m4p h ASN 196 Ca 0.00 0.00 -0.48 0.00 1.21 0.00 0.00 56.30 57.03 3m4p h ASN 196 Cb 0.00 0.00 0.05 0.00 -1.12 0.00 0.00 38.32 37.25 3m4p h ASN 196 CO 0.00 0.61 0.16 -1.83 -1.29 0.00 0.00 177.43 175.08 3m4p s GLU 197 N -3.45 3.00 0.16 0.81 -1.05 -1.19 -5.11 118.70 111.87 3m4p s GLU 197 Ca -0.00 0.01 0.03 0.00 -0.15 0.00 0.00 54.97 54.85 3m4p s GLU 197 Cb 0.12 -2.29 -0.03 0.00 -0.44 0.00 0.00 34.13 31.48 3m4p s GLU 197 CO 0.75 -0.63 0.28 -1.25 0.95 0.00 0.00 175.26 175.37 3m4p s PRO 198 N -4.95 3.41 0.35 -4.83 0.04 -1.26 -2.03 135.00 125.72 3m4p s PRO 198 Ca 0.53 -0.63 -0.05 0.00 0.04 0.00 0.00 61.00 60.89 3m4p s PRO 198 Cb -0.10 -2.94 0.01 0.00 0.04 0.00 0.00 34.50 31.51 3m4p s PRO 198 CO 0.45 0.51 0.53 0.00 0.04 0.00 0.00 177.00 178.53 3m4p s ALA 199 N -1.77 0.45 0.03 8.56 0.00 0.13 -4.77 121.76 124.39 3m4p s ALA 199 Ca 0.34 -1.35 -0.04 0.00 0.00 0.00 0.00 51.96 50.91 3m4p s ALA 199 Cb -0.11 1.06 -0.01 0.00 0.00 0.00 0.00 23.12 24.06 3m4p s ALA 199 CO 0.28 -0.83 0.07 0.71 0.00 0.00 0.00 175.76 175.99 3m4p s TYR 200 N -2.95 0.23 0.07 0.00 2.02 -0.85 0.06 117.35 115.93 3m4p s TYR 200 Ca 0.27 -0.54 -0.24 0.00 -0.37 0.00 0.00 57.07 56.20 3m4p s TYR 200 Cb -0.01 -0.17 -0.06 0.00 -0.40 0.00 0.00 41.96 41.32 3m4p s TYR 200 CO 0.18 -0.34 0.71 -0.51 -1.57 0.00 0.00 175.55 174.03 3m4p s LEU 201 N -2.06 4.49 0.56 -1.29 1.43 -0.75 -0.93 118.68 120.12 3m4p s LEU 201 Ca -0.06 1.42 -0.20 0.00 -1.03 0.00 0.00 54.13 54.26 3m4p s LEU 201 Cb -0.02 -3.15 -0.04 0.00 0.03 0.00 0.00 46.19 43.01 3m4p s LEU 201 CO -0.04 0.11 1.24 0.28 0.23 0.00 0.00 176.35 178.17 3m4p s THR 202 N -0.49 2.56 -0.16 5.49 -1.32 -0.04 -4.59 115.64 117.10 3m4p s THR 202 Ca 0.35 0.38 0.08 0.00 -1.21 0.00 0.00 61.69 61.29 3m4p s THR 202 Cb -0.21 -3.17 -0.10 0.00 -1.51 0.00 0.00 72.50 67.51 3m4p s THR 202 CO 0.22 -0.05 0.23 0.00 -2.21 0.00 0.00 174.62 172.82 3m4p n GLN 203 N -1.26 2.04 -3.64 7.08 10.64 -1.26 -1.00 117.38 129.99 3m4p n GLN 203 Ca 0.12 -0.04 -0.13 0.00 -1.83 0.00 0.00 57.00 55.11 3m4p n GLN 203 Cb 0.48 -1.05 -0.07 0.00 -0.86 0.00 0.00 30.24 28.74 3m4p n GLN 203 CO 0.00 0.00 0.00 0.45 -1.83 0.00 0.00 177.06 175.68 3m4p s SER 204 N -2.40 -0.75 -0.05 2.61 0.15 -1.26 -4.57 113.70 107.42 3m4p s SER 204 Ca -0.00 1.43 0.18 0.00 0.70 0.00 0.00 55.95 58.25 3m4p s SER 204 Cb 0.05 1.43 0.60 0.00 -1.71 0.00 0.00 66.02 66.40 3m4p s SER 204 CO 0.32 -0.24 1.50 -1.20 1.20 0.00 0.00 173.24 174.81 3m4p n SER 205 N 2.83 3.85 -0.13 5.45 7.64 -1.26 -4.61 113.62 127.39 3m4p n SER 205 Ca -0.14 -2.21 -0.04 0.00 1.01 0.00 0.00 58.87 57.48 3m4p n SER 205 Cb 0.55 -0.49 0.02 0.00 -1.01 0.00 0.00 64.21 63.29 3m4p n SER 205 CO 0.00 0.00 0.00 -0.61 -3.01 0.00 0.00 175.04 171.42 3m4p h GLN 206 N 3.64 0.02 -0.42 1.43 4.15 -1.97 -2.14 115.11 119.82 3m4p h GLN 206 Ca 0.00 -0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.40 3m4p h GLN 206 Cb 1.10 -0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.76 3m4p h GLN 206 CO 0.11 0.01 0.17 -0.07 -1.93 0.00 0.00 178.83 177.12 3m4p h LEU 207 N 0.02 0.54 -0.67 -2.39 4.07 -2.00 -1.42 115.31 113.45 3m4p h LEU 207 Ca 0.20 -0.06 -0.14 0.00 0.08 0.00 0.00 57.88 57.96 3m4p h LEU 207 Cb 0.31 -0.14 -0.01 0.00 1.08 0.00 0.00 40.66 41.90 3m4p h LEU 207 CO -0.42 0.50 -0.55 1.88 -1.08 0.00 0.00 178.44 178.77 3m4p h TYR 208 N 0.60 0.40 0.07 1.13 0.05 -1.75 -2.55 116.97 114.92 3m4p h TYR 208 Ca 0.15 -0.14 -0.00 0.00 0.05 0.00 0.00 58.73 58.78 3m4p h TYR 208 Cb 0.13 -0.08 0.00 0.00 1.01 0.00 0.00 36.73 37.79 3m4p h TYR 208 CO 0.01 0.80 -0.03 -0.07 -1.05 0.00 0.00 178.16 177.81 3m4p h LEU 209 N 0.25 -0.07 -1.93 3.88 3.38 -0.83 -2.88 115.31 117.10 3m4p h LEU 209 Ca 0.00 -0.12 0.12 0.00 0.09 0.00 0.00 57.88 57.97 3m4p h LEU 209 Cb 1.05 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.79 3m4p h LEU 209 CO 0.09 0.07 0.32 -0.33 0.09 0.00 0.00 178.44 178.68 3m4p h GLU 210 N -0.22 0.07 0.00 1.13 5.08 -1.22 0.69 114.58 120.11 3m4p h GLU 210 Ca -0.01 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3m4p h GLU 210 Cb 0.19 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.42 3m4p h GLU 210 CO 0.01 0.05 0.00 -1.13 -1.00 0.00 0.00 179.01 176.94 3m4p n SER 211 N -4.43 0.00 -0.04 1.42 3.41 -0.97 -3.95 113.62 109.06 3m4p n SER 211 Ca 0.08 0.16 -0.04 0.00 -0.26 0.00 0.00 58.87 58.80 3m4p n SER 211 Cb 0.47 -0.37 -0.06 0.00 -0.26 0.00 0.00 64.21 64.00 3m4p n SER 211 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 3m4p n VAL 212 N -1.37 0.53 0.17 -3.33 0.31 0.21 -4.69 118.33 110.16 3m4p n VAL 212 Ca 0.09 -0.32 0.16 0.00 -0.01 0.00 0.00 64.34 64.26 3m4p n VAL 212 Cb 0.21 -0.80 0.76 0.00 -0.91 0.00 0.00 33.84 33.11 3m4p n VAL 212 CO 0.00 0.00 0.00 0.16 -1.32 0.00 0.00 176.83 175.67 3m4p h ILE 213 N 0.00 0.64 0.00 2.52 3.07 -1.61 0.20 117.51 122.33 3m4p h ILE 213 Ca -0.21 0.00 -0.02 0.00 1.55 0.00 0.00 64.86 66.18 3m4p h ILE 213 Cb 1.47 0.85 -0.00 0.00 -0.27 0.00 0.00 36.82 38.86 3m4p h ILE 213 CO 0.01 0.00 -0.08 0.00 -1.05 0.00 0.00 178.15 177.02 3m4p h ALA 214 N 1.81 1.14 0.00 0.16 0.00 -1.83 -1.65 119.26 118.89 3m4p h ALA 214 Ca 0.11 -0.08 -0.20 0.00 0.00 0.00 0.00 54.91 54.74 3m4p h ALA 214 Cb 0.51 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 3m4p h ALA 214 CO -0.00 0.11 -1.64 0.45 0.00 0.00 0.00 179.25 178.17 3m4p n SER 215 N -3.39 1.85 -0.21 0.00 2.88 0.58 -4.73 113.62 110.60 3m4p n SER 215 Ca -0.01 0.32 0.12 0.00 -1.33 0.00 0.00 58.87 57.96 3m4p n SER 215 Cb 0.25 -0.73 0.25 0.00 -0.75 0.00 0.00 64.21 63.22 3m4p n SER 215 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 3m4p n LEU 216 N -4.28 1.05 0.00 2.46 4.77 -0.39 -5.06 117.00 115.54 3m4p n LEU 216 Ca -0.31 -0.29 0.00 0.00 -0.03 0.00 0.00 56.01 55.38 3m4p n LEU 216 Cb 0.66 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.63 3m4p n LEU 216 CO 0.12 0.21 0.00 0.61 -1.33 0.00 0.00 177.39 176.99 3m4p n GLY 217 N 1.40 0.43 3.44 -0.72 0.00 -0.62 -4.68 105.19 104.44 3m4p n GLY 217 Ca 0.10 -0.90 -0.62 0.00 0.00 0.00 0.00 46.02 44.59 3m4p n GLY 217 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3m4p n LYS 218 N 0.00 0.00 -4.24 1.61 5.02 -1.26 -4.40 118.16 114.89 3m4p n LYS 218 Ca 0.00 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.15 3m4p n LYS 218 Cb 0.00 -1.38 -0.10 0.00 -0.02 0.00 0.00 35.03 33.53 3m4p n LYS 218 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 3m4p s SER 219 N 2.69 1.49 0.18 4.39 0.01 -1.10 -1.14 113.70 120.22 3m4p s SER 219 Ca 0.96 -1.08 -0.08 0.00 1.31 0.00 0.00 55.95 57.06 3m4p s SER 219 Cb -1.37 0.05 -0.01 0.00 0.21 0.00 0.00 66.02 64.89 3m4p s SER 219 CO 0.75 -0.45 0.28 0.72 0.41 0.00 0.00 173.24 174.95 3m4p s PHE 220 N -3.50 0.54 0.03 2.43 -0.12 -0.34 -2.17 117.98 114.85 3m4p s PHE 220 Ca 0.19 -0.88 -0.17 0.00 -0.05 0.00 0.00 56.93 56.02 3m4p s PHE 220 Cb 0.05 -0.12 0.03 0.00 -0.63 0.00 0.00 43.02 42.34 3m4p s PHE 220 CO 0.01 -0.74 0.37 0.00 -0.05 0.00 0.00 175.22 174.81 3m4p s MET 222 N -2.22 0.52 0.23 0.00 0.00 -1.26 -0.57 119.30 116.01 3m4p s MET 222 Ca -0.07 -0.61 -0.07 0.00 0.00 0.00 0.00 55.69 54.94 3m4p s MET 222 Cb -0.02 -0.72 0.03 0.00 0.00 0.00 0.00 34.83 34.12 3m4p s MET 222 CO -0.01 -1.13 0.42 1.47 0.00 0.00 0.00 175.02 175.77 3m4p n LEU 223 N 4.63 0.00 -4.74 4.11 -0.00 -0.74 -4.90 117.00 115.37 3m4p n LEU 223 Ca 0.06 -1.61 -0.41 0.00 -0.00 0.00 0.00 56.01 54.05 3m4p n LEU 223 Cb 0.45 2.08 -0.03 0.00 -0.00 0.00 0.00 43.42 45.92 3m4p n LEU 223 CO 0.06 -0.48 1.02 -0.44 -0.00 0.00 0.00 177.39 177.55 3m4p s SER 224 N -2.26 6.82 0.19 1.45 0.01 -1.26 0.27 113.70 118.92 3m4p s SER 224 Ca 0.12 2.50 0.08 0.00 1.31 0.00 0.00 55.95 59.96 3m4p s SER 224 Cb -0.02 -2.62 -0.04 0.00 0.21 0.00 0.00 66.02 63.55 3m4p s SER 224 CO 0.09 -0.58 -0.05 -0.44 0.41 0.00 0.00 173.24 172.67 3m4p s SER 225 N 0.32 4.48 0.06 2.44 0.01 -0.30 -4.82 113.70 115.89 3m4p s SER 225 Ca 0.57 -0.53 0.07 0.00 1.31 0.00 0.00 55.95 57.38 3m4p s SER 225 Cb -0.38 -0.84 -0.03 0.00 0.21 0.00 0.00 66.02 64.98 3m4p s SER 225 CO 0.40 0.08 -0.20 -0.31 0.41 0.00 0.00 173.24 173.62 3m4p s TYR 226 N -1.83 1.74 -0.09 2.43 2.02 -0.17 -1.83 117.35 119.62 3m4p s TYR 226 Ca 0.27 -0.38 -0.03 0.00 -0.37 0.00 0.00 57.07 56.56 3m4p s TYR 226 Cb -0.08 -1.02 0.04 0.00 -0.40 0.00 0.00 41.96 40.50 3m4p s TYR 226 CO 0.17 0.11 0.07 1.03 -1.57 0.00 0.00 175.55 175.36 3m4p s ARG 227 N -1.37 0.02 -0.38 -0.62 1.81 0.12 -4.28 118.95 114.26 3m4p s ARG 227 Ca 0.06 0.20 0.07 0.00 -1.72 0.00 0.00 55.73 54.34 3m4p s ARG 227 Cb -0.09 -1.00 0.66 0.00 -0.45 0.00 0.00 34.95 34.07 3m4p s ARG 227 CO 0.02 -0.44 1.79 0.00 -0.68 0.00 0.00 175.30 175.99 3m4p n ALA 228 N 5.28 4.99 -1.80 2.13 0.00 -1.26 -4.26 120.51 125.58 3m4p n ALA 228 Ca -0.05 -2.75 -0.41 0.00 0.00 0.00 0.00 53.44 50.23 3m4p n ALA 228 Cb 0.50 -1.24 -0.02 0.00 0.00 0.00 0.00 19.45 18.69 3m4p n ALA 228 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3m4p s GLU 229 N -3.18 4.23 0.00 0.00 -6.30 -1.26 -4.86 118.70 107.33 3m4p s GLU 229 Ca 0.54 2.39 0.12 0.00 -2.50 0.00 0.00 54.97 55.52 3m4p s GLU 229 Cb 0.45 -3.05 0.67 0.00 0.00 0.00 0.00 34.13 32.20 3m4p s GLU 229 CO 0.10 -0.42 1.17 1.04 0.02 0.00 0.00 175.26 177.17 3m4p n GLN 230 N 1.39 0.31 -4.29 4.30 6.02 -1.26 -4.79 117.38 119.06 3m4p n GLN 230 Ca 0.04 0.05 -0.16 0.00 -0.01 0.00 0.00 57.00 56.92 3m4p n GLN 230 Cb 0.40 -1.50 -0.10 0.00 1.02 0.00 0.00 30.24 30.06 3m4p n GLN 230 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 3m4p s SER 231 N -2.15 1.82 0.32 1.08 1.04 -1.26 -5.00 113.70 109.55 3m4p s SER 231 Ca 0.16 -1.11 0.07 0.00 0.48 0.00 0.00 55.95 55.55 3m4p s SER 231 Cb 0.08 -0.00 -0.02 0.00 0.10 0.00 0.00 66.02 66.18 3m4p s SER 231 CO 0.15 -0.42 0.34 -0.60 0.98 0.00 0.00 173.24 173.69 3m4p s ARG 232 N -3.80 2.90 0.18 4.02 3.52 -1.26 -4.91 118.95 119.60 3m4p s ARG 232 Ca 0.22 -1.16 -0.23 0.00 -0.13 0.00 0.00 55.73 54.43 3m4p s ARG 232 Cb 0.04 -2.61 0.06 0.00 -1.56 0.00 0.00 34.95 30.87 3m4p s ARG 232 CO 0.05 0.14 0.74 0.99 -0.81 0.00 0.00 175.30 176.40 3m4p s THR 233 N -2.23 0.00 -0.37 4.11 2.01 -1.26 -5.01 115.64 112.89 3m4p s THR 233 Ca 0.41 -0.46 0.07 0.00 0.31 0.00 0.00 61.69 62.02 3m4p s THR 233 Cb -0.07 -1.51 0.59 0.00 0.01 0.00 0.00 72.50 71.52 3m4p s THR 233 CO 0.28 0.00 1.65 1.33 -0.69 0.00 0.00 174.62 177.19 3m4p n VAL 234 N -0.40 2.56 -0.61 3.82 0.24 -1.26 -3.65 118.33 119.03 3m4p n VAL 234 Ca -0.10 -1.38 0.00 0.00 -2.04 0.00 0.00 64.34 60.83 3m4p n VAL 234 Cb 0.62 -0.47 0.00 0.00 -1.47 0.00 0.00 33.84 32.52 3m4p n VAL 234 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 3m4p n ARG 235 N -0.28 1.13 -4.54 7.34 3.00 -1.26 -2.86 116.66 119.20 3m4p n ARG 235 Ca 0.38 -0.87 -0.25 0.00 -0.01 0.00 0.00 57.85 57.10 3m4p n ARG 235 Cb 1.28 -0.70 -0.14 0.00 0.00 0.00 0.00 32.46 32.90 3m4p n ARG 235 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.63 176.62 3m4p s HIS 236 N -0.38 1.76 0.13 -1.55 4.02 -1.24 -5.00 115.29 113.03 3m4p s HIS 236 Ca 0.00 -0.38 0.04 0.00 1.02 0.00 0.00 55.06 55.74 3m4p s HIS 236 Cb 0.00 -1.03 -0.04 0.00 -1.02 0.00 0.00 32.58 30.49 3m4p s HIS 236 CO 0.00 0.11 -0.11 -0.51 1.02 0.00 0.00 174.74 175.25 3m4p s LEU 237 N -1.33 2.49 0.28 0.89 1.43 -1.26 -4.58 118.68 116.59 3m4p s LEU 237 Ca 0.07 -0.94 0.02 0.00 -1.03 0.00 0.00 54.13 52.25 3m4p s LEU 237 Cb -0.09 -0.37 0.40 0.00 0.03 0.00 0.00 46.19 46.17 3m4p s LEU 237 CO 0.02 -0.29 1.72 0.00 0.23 0.00 0.00 176.35 178.03 3m4p h ALA 238 N 3.06 1.10 -3.71 4.21 0.00 -0.71 -3.39 119.26 119.81 3m4p h ALA 238 Ca -0.37 -0.34 -0.36 0.00 0.00 0.00 0.00 54.91 53.84 3m4p h ALA 238 Cb 1.19 -0.12 -0.31 0.00 0.00 0.00 0.00 17.79 18.55 3m4p h ALA 238 CO 0.59 0.56 -0.76 -2.00 0.00 0.00 0.00 179.25 177.64 3m4p s GLU 239 N -4.51 0.54 -0.02 0.00 2.12 -1.24 -0.70 118.70 114.88 3m4p s GLU 239 Ca -0.07 -0.12 -0.14 0.00 0.36 0.00 0.00 54.97 54.99 3m4p s GLU 239 Cb 0.14 -0.56 0.02 0.00 0.26 0.00 0.00 34.13 33.99 3m4p s GLU 239 CO 0.79 0.02 0.31 1.52 -0.54 0.00 0.00 175.26 177.36 3m4p s TYR 240 N 0.38 -0.19 -0.49 5.30 -0.85 -0.76 -4.66 117.35 116.07 3m4p s TYR 240 Ca -0.04 0.31 -0.29 0.00 -0.52 0.00 0.00 57.07 56.53 3m4p s TYR 240 Cb -0.08 0.09 0.02 0.00 0.38 0.00 0.00 41.96 42.38 3m4p s TYR 240 CO -0.00 -0.37 1.26 -1.17 -1.52 0.00 0.00 175.55 173.75 3m4p s LEU 241 N -1.20 3.55 -0.30 -3.49 2.96 -1.26 -1.15 118.68 117.78 3m4p s LEU 241 Ca -0.12 0.47 -0.11 0.00 -0.22 0.00 0.00 54.13 54.14 3m4p s LEU 241 Cb -0.05 -3.41 -0.03 0.00 0.50 0.00 0.00 46.19 43.20 3m4p s LEU 241 CO 0.04 -1.41 0.20 -2.28 -1.32 0.00 0.00 176.35 171.58 3m4p s HIS 242 N 5.05 3.21 -0.35 5.38 5.65 0.14 -2.78 115.29 131.59 3m4p s HIS 242 Ca 0.51 -0.10 -0.14 0.00 0.25 0.00 0.00 55.06 55.58 3m4p s HIS 242 Cb -0.09 -2.41 -0.01 0.00 -1.18 0.00 0.00 32.58 28.89 3m4p s HIS 242 CO 0.30 -0.28 0.30 -1.17 -0.65 0.00 0.00 174.74 173.24 3m4p s LEU 243 N 1.72 4.56 0.09 8.88 2.96 -0.62 -1.78 118.68 134.49 3m4p s LEU 243 Ca 0.06 -0.41 0.08 0.00 -0.22 0.00 0.00 54.13 53.65 3m4p s LEU 243 Cb -0.17 -2.22 -0.03 0.00 0.50 0.00 0.00 46.19 44.27 3m4p s LEU 243 CO 0.10 -0.31 -0.21 -1.61 -1.32 0.00 0.00 176.35 173.00 3m4p s GLU 244 N 1.84 1.23 -0.14 1.98 2.02 0.27 0.16 118.70 126.06 3m4p s GLU 244 Ca 0.08 -1.11 -0.15 0.00 0.02 0.00 0.00 54.97 53.81 3m4p s GLU 244 Cb -0.17 -1.47 0.04 0.00 0.10 0.00 0.00 34.13 32.63 3m4p s GLU 244 CO 0.11 0.35 0.42 0.00 0.02 0.00 0.00 175.26 176.16 3m4p s ALA 245 N -1.04 -1.04 0.04 5.21 0.00 -0.75 -0.55 121.76 123.64 3m4p s ALA 245 Ca 0.07 1.11 0.06 0.00 0.00 0.00 0.00 51.96 53.20 3m4p s ALA 245 Cb -0.10 -0.60 -0.02 0.00 0.00 0.00 0.00 23.12 22.40 3m4p s ALA 245 CO 0.04 -0.21 -0.16 -2.00 0.00 0.00 0.00 175.76 173.42 3m4p s GLU 246 N 0.03 1.09 -0.07 0.00 2.56 -0.92 -1.24 118.70 120.15 3m4p s GLU 246 Ca -0.02 -0.82 0.01 0.00 0.00 0.00 0.00 54.97 54.14 3m4p s GLU 246 Cb -0.03 -1.14 0.02 0.00 2.00 0.00 0.00 34.13 34.98 3m4p s GLU 246 CO 0.01 0.29 -0.06 -0.51 -0.56 0.00 0.00 175.26 174.43 3m4p s LEU 247 N -1.15 1.25 0.38 2.70 1.02 0.14 -2.72 118.68 120.30 3m4p s LEU 247 Ca 0.04 -0.19 -0.14 0.00 0.02 0.00 0.00 54.13 53.85 3m4p s LEU 247 Cb -0.08 -0.61 -0.08 0.00 0.02 0.00 0.00 46.19 45.43 3m4p s LEU 247 CO 0.01 -0.07 0.80 -2.16 0.02 0.00 0.00 176.35 174.96 3m4p s PRO 248 N 1.19 3.95 -1.00 1.29 0.04 -1.26 -1.61 135.00 137.59 3m4p s PRO 248 Ca -0.06 0.69 -0.09 0.00 0.04 0.00 0.00 61.00 61.58 3m4p s PRO 248 Cb -0.14 -2.35 -0.04 0.00 0.04 0.00 0.00 34.50 32.01 3m4p s PRO 248 CO -0.02 0.02 0.83 1.19 0.04 0.00 0.00 177.00 179.07 3m4p n PHE 249 N -0.84 -2.40 -4.19 0.56 3.72 0.15 -4.95 117.46 109.51 3m4p n PHE 249 Ca 0.04 0.80 -0.11 0.00 -0.05 0.00 0.00 57.45 58.13 3m4p n PHE 249 Cb 0.54 -3.88 -0.10 0.00 -0.94 0.00 0.00 39.48 35.10 3m4p n PHE 249 CO 0.00 0.00 0.00 0.96 -0.05 0.00 0.00 176.76 177.67 3m4p s ILE 250 N -3.32 0.16 0.50 4.37 -4.36 -1.13 -5.04 121.20 112.38 3m4p s ILE 250 Ca 0.36 -1.95 0.04 0.00 -0.26 0.00 0.00 60.65 58.83 3m4p s ILE 250 Cb -0.08 -2.25 -0.01 0.00 1.25 0.00 0.00 42.46 41.38 3m4p s ILE 250 CO 0.78 -0.28 0.16 -0.94 0.24 0.00 0.00 174.94 174.90 3m4p s SER 251 N -3.12 4.32 0.24 4.36 1.04 -1.26 -4.51 113.70 114.77 3m4p s SER 251 Ca 0.30 -1.42 -0.06 0.00 0.48 0.00 0.00 55.95 55.25 3m4p s SER 251 Cb 0.07 0.27 0.28 0.00 0.10 0.00 0.00 66.02 66.74 3m4p s SER 251 CO 0.06 -0.86 1.89 0.15 0.98 0.00 0.00 173.24 175.46 3m4p h PHE 252 N 1.20 1.09 -0.64 5.02 3.57 -1.99 -1.38 116.94 123.81 3m4p h PHE 252 Ca -0.42 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.12 3m4p h PHE 252 Cb 1.30 -0.36 -0.03 0.00 2.79 0.00 0.00 35.95 39.64 3m4p h PHE 252 CO 1.16 0.63 0.42 0.93 -2.23 0.00 0.00 178.31 179.23 3m4p h GLU 253 N 1.13 0.84 -0.83 1.11 4.39 -1.99 -1.30 114.58 117.93 3m4p h GLU 253 Ca 0.36 -0.05 0.03 0.00 0.34 0.00 0.00 59.36 60.04 3m4p h GLU 253 Cb -0.00 -0.19 -0.05 0.00 -0.10 0.00 0.00 28.75 28.41 3m4p h GLU 253 CO -0.12 0.56 0.53 -0.44 -1.16 0.00 0.00 179.01 178.38 3m4p h ASP 254 N 0.87 0.88 -0.03 1.42 3.32 -1.67 0.57 116.42 121.78 3m4p h ASP 254 Ca 0.24 -0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.28 3m4p h ASP 254 Cb -0.09 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 39.26 3m4p h ASP 254 CO -0.05 0.60 0.01 0.25 -1.72 0.00 0.00 179.24 178.32 3m4p h LEU 255 N 1.03 0.04 -0.73 1.55 5.85 -0.93 0.06 115.31 122.18 3m4p h LEU 255 Ca 0.33 -0.24 -0.02 0.00 0.84 0.00 0.00 57.88 58.80 3m4p h LEU 255 Cb 0.02 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 3m4p h LEU 255 CO -0.12 0.27 0.38 -0.07 -0.34 0.00 0.00 178.44 178.56 3m4p h LEU 256 N -0.19 0.93 -0.95 2.25 3.38 -0.98 -0.93 115.31 118.81 3m4p h LEU 256 Ca 0.01 -0.11 -0.07 0.00 0.09 0.00 0.00 57.88 57.80 3m4p h LEU 256 Cb 0.24 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 3m4p h LEU 256 CO 0.00 0.78 0.05 0.78 0.09 0.00 0.00 178.44 180.14 3m4p h ASN 257 N 1.01 0.77 0.14 -0.43 2.35 -0.82 -1.98 115.58 116.63 3m4p h ASN 257 Ca 0.25 -0.17 -0.01 0.00 -0.55 0.00 0.00 56.30 55.83 3m4p h ASN 257 Cb 0.08 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 38.24 3m4p h ASN 257 CO -0.04 0.81 -0.07 -0.74 -1.65 0.00 0.00 177.43 175.75 3m4p h HIS 258 N 0.77 -0.18 -0.76 1.19 -0.00 -0.48 -0.85 115.15 114.84 3m4p h HIS 258 Ca 0.16 -0.00 0.07 0.00 -0.00 0.00 0.00 60.37 60.59 3m4p h HIS 258 Cb 0.40 0.06 -0.06 0.00 -0.00 0.00 0.00 27.41 27.80 3m4p h HIS 258 CO 0.02 -0.00 0.44 -0.07 -0.00 0.00 0.00 177.93 178.32 3m4p h LEU 259 N -0.32 0.65 -0.32 0.26 3.38 -1.12 0.51 115.31 118.34 3m4p h LEU 259 Ca -0.02 0.03 0.05 0.00 0.09 0.00 0.00 57.88 58.04 3m4p h LEU 259 Cb 0.26 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 40.86 3m4p h LEU 259 CO 0.03 0.41 0.02 -0.33 0.09 0.00 0.00 178.44 178.66 3m4p h GLU 260 N 0.78 0.12 -0.58 1.13 5.08 -1.24 -1.83 114.58 118.04 3m4p h GLU 260 Ca 0.34 -0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.65 3m4p h GLU 260 Cb 0.23 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 3m4p h GLU 260 CO -0.20 0.08 0.18 0.22 -1.00 0.00 0.00 179.01 178.29 3m4p h ASP 261 N 0.12 0.84 0.85 1.42 3.58 0.40 -1.97 116.42 121.66 3m4p h ASP 261 Ca 0.15 -0.21 -0.04 0.00 0.42 0.00 0.00 57.03 57.36 3m4p h ASP 261 Cb 0.20 -0.22 0.01 0.00 1.72 0.00 0.00 39.33 41.03 3m4p h ASP 261 CO -0.24 0.82 -0.43 0.25 -2.88 0.00 0.00 179.24 176.77 3m4p h LEU 262 N 0.81 -1.02 -0.00 2.28 5.85 0.12 -1.64 115.31 121.71 3m4p h LEU 262 Ca 0.19 0.04 0.02 0.00 0.84 0.00 0.00 57.88 58.96 3m4p h LEU 262 Cb 0.28 0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.56 3m4p h LEU 262 CO -0.01 -0.71 -0.12 0.58 -0.34 0.00 0.00 178.44 177.84 3m4p h VAL 263 N -1.17 0.70 0.03 1.05 2.07 -1.39 -0.79 116.25 116.75 3m4p h VAL 263 Ca -0.12 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.40 3m4p h VAL 263 Cb 0.90 0.70 0.00 0.00 -1.52 0.00 0.00 31.29 31.37 3m4p h VAL 263 CO 0.18 0.00 -0.02 0.00 0.02 0.00 0.00 177.57 177.76 3m4p h THR 265 N -0.13 1.10 0.55 0.00 2.02 -1.22 0.12 112.91 115.35 3m4p h THR 265 Ca -0.00 -0.19 -0.03 0.00 0.77 0.00 0.00 66.41 66.96 3m4p h THR 265 Cb 0.11 0.57 0.01 0.00 -1.74 0.00 0.00 68.15 67.10 3m4p h THR 265 CO 0.01 0.10 -0.26 0.58 0.37 0.00 0.00 175.52 176.31 3m4p h VAL 266 N 0.50 0.41 -0.63 3.16 2.07 -1.07 -0.01 116.25 120.68 3m4p h VAL 266 Ca 0.13 -0.21 0.10 0.00 0.82 0.00 0.00 66.70 67.54 3m4p h VAL 266 Cb -0.05 0.50 -0.07 0.00 -1.52 0.00 0.00 31.29 30.15 3m4p h VAL 266 CO -0.03 0.03 0.25 0.40 0.02 0.00 0.00 177.57 178.24 3m4p h ILE 267 N -0.88 0.77 -0.90 4.57 1.08 -1.29 -0.49 117.51 120.37 3m4p h ILE 267 Ca -0.08 -0.15 0.02 0.00 -0.39 0.00 0.00 64.86 64.26 3m4p h ILE 267 Cb 0.62 0.30 -0.05 0.00 -3.07 0.00 0.00 36.82 34.62 3m4p h ILE 267 CO 0.12 0.08 0.59 0.44 -0.69 0.00 0.00 178.15 178.69 3m4p h ASP 268 N 0.44 1.01 -0.53 1.72 5.19 -0.59 0.02 116.42 123.67 3m4p h ASP 268 Ca 0.32 -0.02 -0.12 0.00 -0.62 0.00 0.00 57.03 56.59 3m4p h ASP 268 Cb 0.39 -0.24 -0.02 0.00 0.18 0.00 0.00 39.33 39.64 3m4p h ASP 268 CO -0.31 0.72 -0.13 0.78 -3.12 0.00 0.00 179.24 177.17 3m4p h ASN 269 N 1.18 1.03 -0.41 6.45 2.35 0.12 -0.31 115.58 125.99 3m4p h ASN 269 Ca 0.34 -0.36 -0.10 0.00 -0.55 0.00 0.00 56.30 55.62 3m4p h ASN 269 Cb -0.09 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 37.98 3m4p h ASN 269 CO -0.09 1.16 -0.12 0.58 -1.65 0.00 0.00 177.43 177.31 3m4p h VAL 270 N 0.90 1.26 -0.14 2.81 2.07 -0.78 -2.98 116.25 119.39 3m4p h VAL 270 Ca 0.13 -1.22 -0.11 0.00 0.82 0.00 0.00 66.70 66.32 3m4p h VAL 270 Cb 0.71 1.02 -0.01 0.00 -1.52 0.00 0.00 31.29 31.49 3m4p h VAL 270 CO 0.05 0.42 -0.41 0.24 0.02 0.00 0.00 177.57 177.90 3m4p h MET 271 N 0.78 0.31 -0.70 1.57 2.86 -0.81 0.39 114.93 119.34 3m4p h MET 271 Ca 0.13 -0.15 0.07 0.00 -2.06 0.00 0.00 59.70 57.69 3m4p h MET 271 Cb 0.63 -0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.25 3m4p h MET 271 CO 0.04 0.67 0.46 0.00 1.06 0.00 0.00 176.91 179.14 3m4p h ALA 272 N 1.32 1.77 0.00 6.32 0.00 -0.89 0.45 119.26 128.23 3m4p h ALA 272 Ca 0.02 -0.02 -0.33 0.00 0.00 0.00 0.00 54.91 54.59 3m4p h ALA 272 Cb 0.83 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 18.40 3m4p h ALA 272 CO 0.07 0.10 -2.24 0.28 0.00 0.00 0.00 179.25 177.46 3m4p n VAL 273 N -4.48 1.25 -0.52 0.00 0.31 -1.14 -4.68 118.33 109.07 3m4p n VAL 273 Ca 0.11 -0.53 0.05 0.00 -0.01 0.00 0.00 64.34 63.96 3m4p n VAL 273 Cb 0.27 -1.14 0.10 0.00 -0.91 0.00 0.00 33.84 32.15 3m4p n VAL 273 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 3m4p n HIS 274 N -3.05 0.16 -0.01 3.52 8.25 0.12 -4.85 115.22 119.36 3m4p n HIS 274 Ca -0.37 -0.72 -0.10 0.00 -0.26 0.00 0.00 57.72 56.27 3m4p n HIS 274 Cb 0.94 -0.11 -0.04 0.00 1.12 0.00 0.00 29.99 31.90 3m4p n HIS 274 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 3m4p h GLY 275 N 0.44 -0.39 0.18 -1.41 0.00 -0.99 -1.41 103.07 99.49 3m4p h GLY 275 Ca 0.00 0.38 0.11 0.00 0.00 0.00 0.00 47.33 47.82 3m4p h GLY 275 CO 0.02 -0.22 0.13 -0.55 0.00 0.00 0.00 176.54 175.93 3m4p h ASP 276 N -0.37 0.00 -0.03 0.19 3.32 -1.89 -1.11 116.42 116.54 3m4p h ASP 276 Ca 0.10 0.11 0.01 0.00 0.02 0.00 0.00 57.03 57.27 3m4p h ASP 276 Cb 0.53 0.15 -0.01 0.00 0.22 0.00 0.00 39.33 40.23 3m4p h ASP 276 CO -0.36 0.01 -0.02 0.50 -1.72 0.00 0.00 179.24 177.65 3m4p h LYS 277 N 0.26 -0.02 -0.46 3.56 3.64 -1.75 -2.92 116.57 118.88 3m4p h LYS 277 Ca 0.32 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.59 3m4p h LYS 277 Cb 0.47 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.28 3m4p h LYS 277 CO -0.40 -0.01 -0.12 0.82 -2.27 0.00 0.00 179.45 177.46 3m4p h ILE 278 N -0.02 1.27 0.00 2.00 2.04 -0.58 -2.26 117.51 119.96 3m4p h ILE 278 Ca 0.02 -1.25 -0.02 0.00 1.00 0.00 0.00 64.86 64.61 3m4p h ILE 278 Cb 0.04 1.13 -0.00 0.00 -0.74 0.00 0.00 36.82 37.25 3m4p h ILE 278 CO -0.04 0.43 -0.11 0.03 0.00 0.00 0.00 178.15 178.46 3m4p h ARG 279 N 0.73 0.00 -0.16 2.37 3.08 -1.26 0.30 114.38 119.45 3m4p h ARG 279 Ca 0.12 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 60.04 3m4p h ARG 279 Cb 0.67 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.72 3m4p h ARG 279 CO 0.05 0.11 -0.38 -0.22 -1.07 0.00 0.00 179.97 178.46 3m4p h LYS 280 N 0.00 0.54 -0.10 0.04 3.64 -1.25 -3.19 116.57 116.26 3m4p h LYS 280 Ca -0.00 -0.37 -0.10 0.00 -1.27 0.00 0.00 60.65 58.91 3m4p h LYS 280 Cb 0.21 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.07 3m4p h LYS 280 CO 0.01 0.98 -0.39 0.52 -2.27 0.00 0.00 179.45 178.31 3m4p h MET 281 N 0.18 0.21 -3.03 1.90 2.86 -0.90 -3.39 114.93 112.75 3m4p h MET 281 Ca -0.00 -0.09 -0.62 0.00 -2.06 0.00 0.00 59.70 56.93 3m4p h MET 281 Cb 0.98 -0.01 -0.41 0.00 0.06 0.00 0.00 31.60 32.23 3m4p h MET 281 CO 0.08 0.57 -0.68 1.21 1.06 0.00 0.00 176.91 179.14 3m4p s ASN 282 N -6.88 3.94 0.61 1.22 3.84 0.10 -4.81 114.94 112.96 3m4p s ASN 282 Ca -0.04 -3.23 0.30 0.00 0.21 0.00 0.00 52.86 50.10 3m4p s ASN 282 Cb 0.14 -1.31 1.72 0.00 -0.55 0.00 0.00 41.25 41.25 3m4p s ASN 282 CO 0.76 -0.18 2.09 -0.65 -2.79 0.00 0.00 177.10 176.34 3m4p h PRO 283 N 6.03 0.00 -0.47 0.43 0.11 -1.77 -2.83 132.00 133.50 3m4p h PRO 283 Ca 0.07 0.00 -0.22 0.00 0.11 0.00 0.00 66.00 65.96 3m4p h PRO 283 Cb 0.85 0.00 -0.13 0.00 0.11 0.00 0.00 31.00 31.83 3m4p h PRO 283 CO 0.60 0.00 0.07 -2.39 -0.21 0.00 0.00 178.00 176.07 3m4p n HIS 284 N -3.61 1.47 -2.48 0.65 1.44 -1.26 -5.00 115.22 106.42 3m4p n HIS 284 Ca 0.01 -1.53 -0.43 0.00 -2.01 0.00 0.00 57.72 53.76 3m4p n HIS 284 Cb 0.33 -0.56 -0.02 0.00 0.12 0.00 0.00 29.99 29.86 3m4p n HIS 284 CO 0.00 0.00 0.00 -1.17 -2.81 0.00 0.00 176.34 172.36 3m4p s LEU 285 N -3.19 4.19 -0.18 2.39 2.96 -1.07 -5.00 118.68 118.78 3m4p s LEU 285 Ca 0.47 1.65 0.01 0.00 -0.22 0.00 0.00 54.13 56.04 3m4p s LEU 285 Cb 0.41 -3.54 0.02 0.00 0.50 0.00 0.00 46.19 43.58 3m4p s LEU 285 CO 0.03 -0.70 -0.20 -0.54 -1.32 0.00 0.00 176.35 173.63 3m4p s LYS 286 N 3.15 2.94 0.07 1.98 1.02 -1.26 -5.11 119.74 122.54 3m4p s LYS 286 Ca 0.53 -0.81 -0.29 0.00 0.02 0.00 0.00 55.97 55.41 3m4p s LYS 286 Cb -0.21 -2.53 -0.05 0.00 -0.52 0.00 0.00 37.83 34.52 3m4p s LYS 286 CO 0.14 -0.20 0.94 -0.51 -0.92 0.00 0.00 175.35 174.81 3m4p s LEU 287 N 1.27 4.46 0.24 3.17 1.43 -1.26 -5.01 118.68 122.99 3m4p s LEU 287 Ca 0.04 1.72 -0.30 0.00 -1.03 0.00 0.00 54.13 54.56 3m4p s LEU 287 Cb -0.13 -3.54 -0.09 0.00 0.03 0.00 0.00 46.19 42.46 3m4p s LEU 287 CO -0.12 -0.11 1.15 -2.16 0.23 0.00 0.00 176.35 175.34 3m4p s PRO 288 N 0.26 4.56 0.05 1.29 0.04 -1.26 -5.04 135.00 134.90 3m4p s PRO 288 Ca 0.47 1.85 0.07 0.00 0.04 0.00 0.00 61.00 63.43 3m4p s PRO 288 Cb -0.22 -3.21 -0.03 0.00 0.04 0.00 0.00 34.50 31.08 3m4p s PRO 288 CO 0.28 0.06 -0.19 0.95 0.04 0.00 0.00 177.00 178.15 3m4p s THR 289 N -0.67 1.49 0.35 1.26 -4.23 -1.26 -4.87 115.64 107.72 3m4p s THR 289 Ca 0.48 -1.18 -0.27 0.00 -1.18 0.00 0.00 61.69 59.54 3m4p s THR 289 Cb -0.32 -1.32 -0.09 0.00 1.34 0.00 0.00 72.50 72.10 3m4p s THR 289 CO 0.40 0.10 1.19 -0.13 -0.54 0.00 0.00 174.62 175.64 3m4p s ARG 290 N -1.27 4.27 0.69 3.99 1.81 -1.26 -4.08 118.95 123.10 3m4p s ARG 290 Ca 0.05 1.92 -0.10 0.00 -1.72 0.00 0.00 55.73 55.89 3m4p s ARG 290 Cb -0.09 -2.89 0.03 0.00 -0.45 0.00 0.00 34.95 31.55 3m4p s ARG 290 CO 0.02 -0.16 1.05 -1.25 -0.68 0.00 0.00 175.30 174.28 3m4p s PRO 291 N -1.98 2.68 0.21 3.54 0.04 -1.26 -5.14 135.00 133.10 3m4p s PRO 291 Ca 0.52 0.21 -0.12 0.00 0.04 0.00 0.00 61.00 61.65 3m4p s PRO 291 Cb -0.33 -2.09 -0.07 0.00 0.04 0.00 0.00 34.50 32.04 3m4p s PRO 291 CO 0.43 -1.05 0.58 -0.06 0.04 0.00 0.00 177.00 176.94 3m4p s PHE 292 N -3.28 3.49 0.53 0.56 0.40 -1.26 -5.04 117.98 113.38 3m4p s PHE 292 Ca 0.58 1.00 -0.22 0.00 -0.60 0.00 0.00 56.93 57.68 3m4p s PHE 292 Cb -0.11 -2.34 -0.06 0.00 0.51 0.00 0.00 43.02 41.02 3m4p s PHE 292 CO 0.49 0.31 1.36 1.17 0.70 0.00 0.00 175.22 179.24 3m4p n LYS 293 N 0.20 1.77 -4.95 0.44 4.81 -1.24 -4.84 118.16 114.35 3m4p n LYS 293 Ca -0.01 0.65 -0.27 0.00 -0.87 0.00 0.00 58.31 57.80 3m4p n LYS 293 Cb 0.52 -2.57 -0.15 0.00 0.02 0.00 0.00 35.03 32.85 3m4p n LYS 293 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 3m4p s ARG 294 N -2.78 1.64 -0.23 1.64 0.52 -1.26 -1.10 118.95 117.39 3m4p s ARG 294 Ca 0.70 -0.79 -0.05 0.00 -0.52 0.00 0.00 55.73 55.07 3m4p s ARG 294 Cb -0.43 -1.62 0.12 0.00 0.52 0.00 0.00 34.95 33.54 3m4p s ARG 294 CO 0.51 0.44 0.41 1.41 0.02 0.00 0.00 175.30 178.09 3m4p s MET 295 N -0.64 0.35 0.60 3.54 1.75 0.10 -4.96 119.30 120.03 3m4p s MET 295 Ca 0.08 0.80 -0.17 0.00 -1.25 0.00 0.00 55.69 55.15 3m4p s MET 295 Cb -0.08 -0.04 -0.03 0.00 2.84 0.00 0.00 34.83 37.52 3m4p s MET 295 CO -0.00 -0.46 1.12 -0.08 -0.65 0.00 0.00 175.02 174.95 3m4p s THR 296 N 2.60 3.19 0.43 10.11 -1.32 -1.26 -0.85 115.64 128.54 3m4p s THR 296 Ca 0.06 0.65 0.20 0.00 -1.21 0.00 0.00 61.69 61.40 3m4p s THR 296 Cb -0.14 -3.20 0.40 0.00 -1.51 0.00 0.00 72.50 68.05 3m4p s THR 296 CO -0.15 -0.25 1.83 0.22 -2.21 0.00 0.00 174.62 174.07 3m4p h TYR 297 N 0.66 0.51 -0.63 9.09 3.20 -1.34 0.56 116.97 129.02 3m4p h TYR 297 Ca -0.49 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.38 3m4p h TYR 297 Cb 1.26 -0.15 -0.03 0.00 1.54 0.00 0.00 36.73 39.34 3m4p h TYR 297 CO 0.53 0.10 0.29 0.00 -1.64 0.00 0.00 178.16 177.44 3m4p h ALA 298 N 1.60 1.33 -0.31 1.82 0.00 -1.85 -1.71 119.26 120.14 3m4p h ALA 298 Ca 0.51 -0.13 -0.16 0.00 0.00 0.00 0.00 54.91 55.12 3m4p h ALA 298 Cb 1.37 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.90 3m4p h ALA 298 CO -0.19 0.52 -0.43 -0.44 0.00 0.00 0.00 179.25 178.70 3m4p h ASP 299 N 0.89 0.92 0.16 0.00 3.32 -1.28 -2.86 116.42 117.56 3m4p h ASP 299 Ca 0.22 -0.50 0.01 0.00 0.02 0.00 0.00 57.03 56.77 3m4p h ASP 299 Cb 0.11 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.37 3m4p h ASP 299 CO -0.03 1.24 -0.20 0.00 -1.72 0.00 0.00 179.24 178.53 3m4p h ALA 300 N 0.70 -0.38 -0.59 3.45 0.00 -0.88 0.46 119.26 122.02 3m4p h ALA 300 Ca 0.03 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 3m4p h ALA 300 Cb 1.03 0.31 -0.03 0.00 0.00 0.00 0.00 17.79 19.10 3m4p h ALA 300 CO 0.10 -0.75 0.27 0.82 0.00 0.00 0.00 179.25 179.70 3m4p h ILE 301 N -0.42 1.20 -0.57 0.00 1.08 -1.41 0.34 117.51 117.73 3m4p h ILE 301 Ca 0.01 -0.57 -0.06 0.00 -0.39 0.00 0.00 64.86 63.86 3m4p h ILE 301 Cb 0.41 0.46 -0.02 0.00 -3.07 0.00 0.00 36.82 34.60 3m4p h ILE 301 CO -0.08 0.23 0.12 0.50 -0.69 0.00 0.00 178.15 178.23 3m4p h LYS 302 N 0.83 0.93 0.26 2.37 3.64 -1.18 -2.89 116.57 120.53 3m4p h LYS 302 Ca 0.20 -0.24 -0.01 0.00 -1.27 0.00 0.00 60.65 59.34 3m4p h LYS 302 Cb 0.10 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 31.81 3m4p h LYS 302 CO -0.03 0.87 -0.12 -0.92 -2.27 0.00 0.00 179.45 176.98 3m4p h TYR 303 N 0.83 -0.32 -1.17 1.91 3.20 0.85 -1.96 116.97 120.32 3m4p h TYR 303 Ca 0.18 -0.01 0.33 0.00 3.14 0.00 0.00 58.73 62.37 3m4p h TYR 303 Cb 0.38 0.11 -0.09 0.00 1.54 0.00 0.00 36.73 38.67 3m4p h TYR 303 CO 0.03 0.02 0.78 0.00 -1.64 0.00 0.00 178.16 177.35 3m4p h ASN 305 N 0.21 0.54 0.34 0.00 4.21 -1.48 -2.46 115.58 116.94 3m4p h ASN 305 Ca 0.64 -0.92 -0.01 0.00 1.21 0.00 0.00 56.30 57.23 3m4p h ASN 305 Cb 2.00 -0.18 -0.00 0.00 -1.12 0.00 0.00 38.32 39.02 3m4p h ASN 305 CO -0.23 1.57 -0.04 0.44 -1.29 0.00 0.00 177.43 177.87 3m4p h ASP 306 N -0.20 0.00 -5.04 5.81 5.19 -0.43 -3.43 116.42 118.33 3m4p h ASP 306 Ca -0.24 0.00 -0.47 0.00 -0.62 0.00 0.00 57.03 55.71 3m4p h ASP 306 Cb 1.84 0.00 -0.06 0.00 0.18 0.00 0.00 39.33 41.29 3m4p h ASP 306 CO 0.15 0.04 -0.27 1.41 -3.12 0.00 0.00 179.24 177.46 3m4p n HIS 307 N -3.35 -0.19 -1.52 4.55 8.25 -0.36 -5.05 115.22 117.56 3m4p n HIS 307 Ca -0.02 -1.84 -0.28 0.00 -0.26 0.00 0.00 57.72 55.32 3m4p n HIS 307 Cb 0.18 -0.31 -0.06 0.00 1.12 0.00 0.00 29.99 30.92 3m4p n HIS 307 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3m4p n GLY 308 N 0.04 4.38 3.10 -1.41 0.00 -1.26 -4.82 105.19 105.23 3m4p n GLY 308 Ca -0.07 -1.88 -0.34 0.00 0.00 0.00 0.00 46.02 43.73 3m4p n GLY 308 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3m4p s ILE 309 N -2.03 2.94 0.20 -0.61 1.01 -0.93 -5.09 121.20 116.69 3m4p s ILE 309 Ca 0.59 -2.03 -0.02 0.00 0.00 0.00 0.00 60.65 59.19 3m4p s ILE 309 Cb 0.36 -3.00 -0.05 0.00 0.01 0.00 0.00 42.46 39.79 3m4p s ILE 309 CO -0.20 -0.57 0.40 -0.76 0.00 0.00 0.00 174.94 173.81 3m4p s LEU 310 N 1.09 4.22 -0.68 2.97 1.43 -1.26 -4.42 118.68 122.03 3m4p s LEU 310 Ca 0.07 0.47 -0.23 0.00 -1.03 0.00 0.00 54.13 53.41 3m4p s LEU 310 Cb -0.21 -3.23 0.07 0.00 0.03 0.00 0.00 46.19 42.84 3m4p s LEU 310 CO -0.05 -0.04 1.02 0.21 0.23 0.00 0.00 176.35 177.72 3m4p s ASN 311 N -3.00 6.18 0.00 2.29 2.47 0.20 -4.78 114.94 118.30 3m4p s ASN 311 Ca 0.39 -0.94 0.00 0.00 0.42 0.00 0.00 52.86 52.74 3m4p s ASN 311 Cb -0.11 -2.44 0.00 0.00 -1.45 0.00 0.00 41.25 37.25 3m4p s ASN 311 CO 0.28 -1.49 0.00 2.29 -3.72 0.00 0.00 177.10 174.46 3m4p n LYS 312 N 7.94 0.00 -0.42 0.43 0.00 -1.26 -1.44 118.16 123.40 3m4p n LYS 312 Ca -0.02 0.00 0.02 0.00 -0.00 0.00 0.00 58.31 58.31 3m4p n LYS 312 Cb 0.46 0.00 0.03 0.00 -0.00 0.00 0.00 35.03 35.52 3m4p n LYS 312 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 3m4p n ASP 313 N 0.60 0.52 -3.46 -5.58 5.75 -1.26 -5.10 116.55 108.01 3m4p n ASP 313 Ca 0.00 -2.24 -0.13 0.00 -0.01 0.00 0.00 54.79 52.41 3m4p n ASP 313 Cb 0.00 -0.25 -0.03 0.00 -1.03 0.00 0.00 41.12 39.81 3m4p n ASP 313 CO 0.00 0.00 0.00 -1.59 -0.11 0.00 0.00 177.20 175.50 3m4p s LYS 314 N -0.62 1.14 0.26 0.11 0.00 -0.52 -5.14 119.74 114.97 3m4p s LYS 314 Ca 0.07 -0.23 -0.30 0.00 0.00 0.00 0.00 55.97 55.52 3m4p s LYS 314 Cb 0.07 0.53 -0.09 0.00 0.00 0.00 0.00 37.83 38.33 3m4p s LYS 314 CO 0.00 -0.46 1.11 -1.25 0.00 0.00 0.00 175.35 174.75 3m4p s PRO 315 N -2.87 4.62 0.21 1.78 0.04 -1.26 0.58 135.00 138.10 3m4p s PRO 315 Ca -0.02 1.80 -0.32 0.00 0.04 0.00 0.00 61.00 62.50 3m4p s PRO 315 Cb -0.01 -3.21 -0.12 0.00 0.04 0.00 0.00 34.50 31.21 3m4p s PRO 315 CO -0.06 0.17 1.71 1.19 0.04 0.00 0.00 177.00 180.05 3m4p n PHE 316 N 1.47 2.73 -3.51 0.56 3.72 -1.26 -4.83 117.46 116.34 3m4p n PHE 316 Ca -0.00 0.07 -0.20 0.00 -0.05 0.00 0.00 57.45 57.27 3m4p n PHE 316 Cb 0.45 -2.66 -0.02 0.00 -0.94 0.00 0.00 39.48 36.31 3m4p n PHE 316 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 3m4p s GLU 317 N 1.04 2.76 0.69 -1.08 2.02 -1.26 -4.90 118.70 117.97 3m4p s GLU 317 Ca 0.75 -1.31 -0.16 0.00 0.02 0.00 0.00 54.97 54.27 3m4p s GLU 317 Cb -0.52 -2.56 0.02 0.00 0.10 0.00 0.00 34.13 31.16 3m4p s GLU 317 CO 0.34 -0.08 1.20 -0.47 0.02 0.00 0.00 175.26 176.27 3m4p s TYR 318 N -2.34 2.20 0.00 1.61 5.04 -1.26 -3.19 117.35 119.40 3m4p s TYR 318 Ca 0.47 1.57 0.00 0.00 -2.44 0.00 0.00 57.07 56.67 3m4p s TYR 318 Cb -0.06 -3.45 0.00 0.00 0.35 0.00 0.00 41.96 38.80 3m4p s TYR 318 CO 0.29 -2.43 0.00 0.41 -1.34 0.00 0.00 175.55 172.48 3m4p n GLY 319 N 0.33 2.73 3.81 8.97 0.00 -1.26 -5.02 105.19 114.74 3m4p n GLY 319 Ca 0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.81 3m4p n GLY 319 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3m4p s GLU 320 N -0.32 4.34 0.66 1.61 2.02 -1.19 -4.97 118.70 120.84 3m4p s GLU 320 Ca 0.00 1.18 -0.12 0.00 0.02 0.00 0.00 54.97 56.05 3m4p s GLU 320 Cb 0.00 -2.38 -0.01 0.00 0.10 0.00 0.00 34.13 31.84 3m4p s GLU 320 CO 0.00 0.07 1.06 0.34 0.02 0.00 0.00 175.26 176.74 3m4p s ASP 321 N -2.00 5.57 -0.24 -0.19 3.68 -1.26 -5.02 116.67 117.20 3m4p s ASP 321 Ca 0.58 1.66 0.02 0.00 2.13 0.00 0.00 52.55 56.94 3m4p s ASP 321 Cb -0.12 -2.51 0.06 0.00 -1.45 0.00 0.00 42.92 38.90 3m4p s ASP 321 CO 0.16 -1.31 -0.08 -0.63 0.13 0.00 0.00 175.17 173.44 3m4p s ILE 322 N -2.87 1.77 0.31 4.11 1.01 -1.26 -5.08 121.20 119.19 3m4p s ILE 322 Ca 0.59 -1.35 -0.05 0.00 0.00 0.00 0.00 60.65 59.84 3m4p s ILE 322 Cb -0.14 -1.97 0.07 0.00 0.01 0.00 0.00 42.46 40.43 3m4p s ILE 322 CO 0.49 -0.05 0.42 -1.20 0.00 0.00 0.00 174.94 174.60 3m4p n SER 323 N 4.58 0.03 0.42 3.58 7.64 -1.26 -4.80 113.62 123.82 3m4p n SER 323 Ca -0.13 -1.15 -0.18 0.00 1.01 0.00 0.00 58.87 58.42 3m4p n SER 323 Cb 0.43 -0.32 -0.09 0.00 -1.01 0.00 0.00 64.21 63.23 3m4p n SER 323 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 3m4p h GLU 324 N 0.00 -1.07 -0.51 1.43 4.81 -2.00 -2.27 114.58 114.96 3m4p h GLU 324 Ca -0.14 0.07 0.05 0.00 -0.13 0.00 0.00 59.36 59.21 3m4p h GLU 324 Cb 0.37 0.24 -0.06 0.00 0.63 0.00 0.00 28.75 29.93 3m4p h GLU 324 CO 0.10 -0.72 -0.32 0.87 -0.73 0.00 0.00 179.01 178.21 3m4p h LYS 325 N -1.11 -0.02 -0.53 1.92 1.57 -1.99 0.47 116.57 116.88 3m4p h LYS 325 Ca -0.11 0.00 0.08 0.00 -1.87 0.00 0.00 60.65 58.75 3m4p h LYS 325 Cb 0.87 0.01 -0.06 0.00 0.08 0.00 0.00 32.23 33.12 3m4p h LYS 325 CO 0.15 -0.02 0.17 -1.35 -0.57 0.00 0.00 179.45 177.83 3m4p h PRO 326 N -0.02 0.32 -0.03 3.15 0.11 -1.89 0.19 132.00 133.83 3m4p h PRO 326 Ca 0.08 -0.02 0.02 0.00 0.11 0.00 0.00 66.00 66.19 3m4p h PRO 326 Cb 0.23 -0.07 -0.04 0.00 0.11 0.00 0.00 31.00 31.23 3m4p h PRO 326 CO -0.49 0.21 -0.39 0.93 -0.21 0.00 0.00 178.00 178.05 3m4p h GLU 327 N 0.33 -0.44 -0.12 1.05 5.08 0.11 0.33 114.58 120.91 3m4p h GLU 327 Ca 0.26 0.03 0.04 0.00 -1.00 0.00 0.00 59.36 58.69 3m4p h GLU 327 Cb 0.31 0.10 -0.05 0.00 0.50 0.00 0.00 28.75 29.61 3m4p h GLU 327 CO -0.29 -0.30 -0.22 -0.09 -1.00 0.00 0.00 179.01 177.12 3m4p h ARG 328 N -0.46 -0.27 -0.51 2.33 2.43 -0.00 0.81 114.38 118.70 3m4p h ARG 328 Ca 0.01 0.02 0.09 0.00 -0.81 0.00 0.00 59.98 59.29 3m4p h ARG 328 Cb 0.51 0.06 -0.07 0.00 -0.42 0.00 0.00 29.97 30.04 3m4p h ARG 328 CO -0.28 -0.18 0.09 1.96 -1.51 0.00 0.00 179.97 180.05 3m4p h GLN 329 N -0.28 0.21 -0.51 0.20 4.20 -0.21 0.21 115.11 118.93 3m4p h GLN 329 Ca 0.10 -0.01 -0.11 0.00 0.06 0.00 0.00 58.65 58.69 3m4p h GLN 329 Cb 0.43 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.14 3m4p h GLN 329 CO -0.29 0.14 -0.11 1.98 -0.67 0.00 0.00 178.83 179.89 3m4p h MET 330 N 0.22 0.97 -0.39 1.46 4.05 -0.05 -2.58 114.93 118.62 3m4p h MET 330 Ca 0.26 -0.36 -0.10 0.00 -0.28 0.00 0.00 59.70 59.22 3m4p h MET 330 Cb 0.36 -0.06 -0.02 0.00 -0.80 0.00 0.00 31.60 31.09 3m4p h MET 330 CO -0.35 1.03 -0.16 1.15 0.23 0.00 0.00 176.91 178.81 3m4p h THR 331 N 0.83 1.26 -0.02 -0.77 2.02 0.12 -2.47 112.91 113.89 3m4p h THR 331 Ca 0.13 -1.21 -0.13 0.00 0.77 0.00 0.00 66.41 65.97 3m4p h THR 331 Cb 0.66 1.14 -0.02 0.00 -1.74 0.00 0.00 68.15 68.19 3m4p h THR 331 CO 0.05 0.41 -0.59 0.44 0.37 0.00 0.00 175.52 176.19 3m4p h ASP 332 N 0.64 0.07 0.05 4.18 3.32 -0.57 -0.81 116.42 123.30 3m4p h ASP 332 Ca 0.10 -0.04 -0.17 0.00 0.02 0.00 0.00 57.03 56.95 3m4p h ASP 332 Cb 0.63 -0.02 0.02 0.00 0.22 0.00 0.00 39.33 40.17 3m4p h ASP 332 CO 0.04 0.64 -0.69 -0.33 -1.72 0.00 0.00 179.24 177.19 3m4p h GLU 333 N 0.05 0.38 -0.73 3.56 5.08 -1.36 -3.25 114.58 118.30 3m4p h GLU 333 Ca -0.01 -0.47 -0.07 0.00 -1.00 0.00 0.00 59.36 57.82 3m4p h GLU 333 Cb 1.06 0.15 -0.03 0.00 0.50 0.00 0.00 28.75 30.43 3m4p h GLU 333 CO 0.08 1.16 0.20 0.82 -1.00 0.00 0.00 179.01 180.27 3m4p h ILE 334 N -0.19 1.26 -0.30 3.13 2.04 -1.51 -3.48 117.51 118.47 3m4p h ILE 334 Ca -0.10 -0.95 0.00 0.00 1.00 0.00 0.00 64.86 64.81 3m4p h ILE 334 Cb 1.44 0.49 0.00 0.00 -0.74 0.00 0.00 36.82 38.01 3m4p h ILE 334 CO 0.13 0.37 0.00 0.61 0.00 0.00 0.00 178.15 179.26 3m4p n GLY 335 N -0.71 0.74 3.83 5.37 0.00 -0.31 -5.05 105.19 109.05 3m4p n GLY 335 Ca 0.06 -0.70 -0.06 0.00 0.00 0.00 0.00 46.02 45.32 3m4p n GLY 335 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3m4p n PRO 337 N -0.47 1.66 -3.65 0.00 -0.02 -1.26 -4.36 135.00 126.90 3m4p n PRO 337 Ca -0.05 0.59 -0.20 0.00 -2.02 0.00 0.00 63.50 61.82 3m4p n PRO 337 Cb 0.60 -2.23 -0.17 0.00 -0.02 0.00 0.00 33.50 31.68 3m4p n PRO 337 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3m4p s ILE 338 N -1.23 -0.15 -0.23 4.25 1.01 -0.35 -3.66 121.20 120.85 3m4p s ILE 338 Ca 0.62 0.27 -0.29 0.00 0.00 0.00 0.00 60.65 61.25 3m4p s ILE 338 Cb -0.53 -0.29 -0.00 0.00 0.01 0.00 0.00 42.46 41.65 3m4p s ILE 338 CO 0.57 0.06 1.23 -0.36 0.00 0.00 0.00 174.94 176.44 3m4p s PHE 339 N 2.20 2.89 -0.28 3.97 0.08 -0.26 -0.14 117.98 126.43 3m4p s PHE 339 Ca 0.04 1.04 -0.09 0.00 0.12 0.00 0.00 56.93 58.04 3m4p s PHE 339 Cb -0.13 -3.62 -0.02 0.00 -0.57 0.00 0.00 43.02 38.68 3m4p s PHE 339 CO -0.05 -1.46 0.13 1.41 -0.10 0.00 0.00 175.22 175.15 3m4p s MET 340 N 3.69 3.58 0.32 0.44 1.75 0.70 -0.72 119.30 129.06 3m4p s MET 340 Ca 0.53 -0.55 0.06 0.00 -1.25 0.00 0.00 55.69 54.48 3m4p s MET 340 Cb -0.18 -3.50 -0.06 0.00 2.84 0.00 0.00 34.83 33.93 3m4p s MET 340 CO 0.16 -0.29 -0.02 0.96 -0.65 0.00 0.00 175.02 175.19 3m4p s ILE 341 N 1.64 1.65 -1.10 10.11 -4.36 -0.03 -0.68 121.20 128.44 3m4p s ILE 341 Ca 0.06 -2.08 -0.05 0.00 -0.26 0.00 0.00 60.65 58.32 3m4p s ILE 341 Cb -0.16 -2.66 -0.05 0.00 1.25 0.00 0.00 42.46 40.85 3m4p s ILE 341 CO 0.06 -0.16 0.94 1.41 0.24 0.00 0.00 174.94 177.43 3m4p n HIS 342 N -0.70 -2.36 -2.43 1.37 8.25 -0.88 -1.21 115.22 117.26 3m4p n HIS 342 Ca -0.04 0.87 -0.33 0.00 -0.26 0.00 0.00 57.72 57.96 3m4p n HIS 342 Cb 0.65 -4.40 -0.03 0.00 1.12 0.00 0.00 29.99 27.33 3m4p n HIS 342 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 3m4p s PHE 343 N -3.39 3.13 0.72 4.41 0.08 -1.26 -4.26 117.98 117.43 3m4p s PHE 343 Ca 0.32 1.54 -0.16 0.00 0.12 0.00 0.00 56.93 58.75 3m4p s PHE 343 Cb -0.04 -2.96 0.03 0.00 -0.57 0.00 0.00 43.02 39.48 3m4p s PHE 343 CO 0.74 -0.70 1.26 -2.14 -0.10 0.00 0.00 175.22 174.28 3m4p s PRO 344 N -3.61 2.11 0.07 0.24 0.02 -1.26 -1.34 135.00 131.24 3m4p s PRO 344 Ca 0.64 1.94 -0.30 0.00 0.02 0.00 0.00 61.00 63.29 3m4p s PRO 344 Cb -0.14 -1.81 -0.18 0.00 0.02 0.00 0.00 34.50 32.39 3m4p s PRO 344 CO 0.25 -1.90 1.63 0.77 -0.33 0.00 0.00 177.00 177.43 3m4p h SER 345 N -0.13 -0.56 0.00 2.53 0.02 -1.12 -2.60 113.55 111.69 3m4p h SER 345 Ca -0.49 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.47 3m4p h SER 345 Cb 1.32 0.14 0.00 0.00 0.14 0.00 0.00 62.40 64.00 3m4p h SER 345 CO 0.50 -0.38 0.04 0.29 -1.14 0.00 0.00 176.83 176.13 3m4p n LYS 346 N -5.37 0.00 -0.00 3.45 4.01 -1.26 -1.70 118.16 117.29 3m4p n LYS 346 Ca -0.12 0.27 0.09 0.00 -0.51 0.00 0.00 58.31 58.04 3m4p n LYS 346 Cb 0.28 -1.54 -0.11 0.00 -0.51 0.00 0.00 35.03 33.15 3m4p n LYS 346 CO 0.00 0.00 0.00 -0.12 -1.11 0.00 0.00 177.40 176.17 3m4p n MET 347 N -1.24 0.60 -4.34 1.97 0.00 -0.98 -5.01 117.12 108.11 3m4p n MET 347 Ca 0.00 -0.01 -0.18 0.00 0.00 0.00 0.00 57.70 57.51 3m4p n MET 347 Cb 0.04 -1.42 -0.10 0.00 0.00 0.00 0.00 33.22 31.74 3m4p n MET 347 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 175.97 176.12 3m4p s LYS 348 N -2.88 1.47 0.81 2.12 -0.14 -0.69 -5.02 119.74 115.42 3m4p s LYS 348 Ca 0.06 -1.81 -0.12 0.00 -1.36 0.00 0.00 55.97 52.74 3m4p s LYS 348 Cb 0.14 -0.35 0.09 0.00 -1.68 0.00 0.00 37.83 36.03 3m4p s LYS 348 CO 0.80 -0.30 1.18 0.00 -0.76 0.00 0.00 175.35 176.27 3m4p s ALA 349 N -3.66 1.84 0.47 5.17 0.00 -1.26 -4.91 121.76 119.41 3m4p s ALA 349 Ca 0.37 0.72 0.26 0.00 0.00 0.00 0.00 51.96 53.31 3m4p s ALA 349 Cb 0.08 -3.45 1.50 0.00 0.00 0.00 0.00 23.12 21.25 3m4p s ALA 349 CO 0.14 -2.27 2.12 0.27 0.00 0.00 0.00 175.76 176.02 3m4p h PHE 350 N -1.05 0.00 -0.00 0.00 -5.15 -1.93 -3.17 116.94 105.64 3m4p h PHE 350 Ca -0.45 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.32 3m4p h PHE 350 Cb 1.28 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.45 3m4p h PHE 350 CO 0.49 0.09 -0.02 2.48 -2.00 0.00 0.00 178.31 179.35 3m4p n TYR 351 N -3.81 0.00 -2.93 6.09 0.18 -1.26 -4.86 117.16 110.58 3m4p n TYR 351 Ca -0.02 0.00 -0.41 0.00 1.88 0.00 0.00 57.90 59.35 3m4p n TYR 351 Cb 0.19 -0.06 -0.04 0.00 -0.38 0.00 0.00 39.34 39.05 3m4p n TYR 351 CO 0.00 0.00 0.00 -1.64 -2.08 0.00 0.00 176.86 173.14 3m4p s MET 352 N -2.14 4.29 0.62 -3.48 -1.94 -1.20 -1.38 119.30 114.07 3m4p s MET 352 Ca 0.40 0.96 -0.18 0.00 -1.71 0.00 0.00 55.69 55.16 3m4p s MET 352 Cb 0.21 -3.57 -0.02 0.00 2.01 0.00 0.00 34.83 33.46 3m4p s MET 352 CO 0.39 -0.30 1.21 -1.54 -0.01 0.00 0.00 175.02 174.77 3m4p s SER 353 N 1.15 5.02 0.57 3.03 1.04 -0.54 -4.60 113.70 119.37 3m4p s SER 353 Ca 0.37 2.39 -0.05 0.00 0.48 0.00 0.00 55.95 59.14 3m4p s SER 353 Cb -0.16 -2.60 0.01 0.00 0.10 0.00 0.00 66.02 63.36 3m4p s SER 353 CO 0.12 -1.71 0.87 -0.54 0.98 0.00 0.00 173.24 172.97 3m4p s LYS 354 N -3.43 2.96 0.02 4.02 -0.14 -1.26 -1.59 119.74 120.32 3m4p s LYS 354 Ca 0.77 -0.04 -0.30 0.00 -1.36 0.00 0.00 55.97 55.04 3m4p s LYS 354 Cb -0.30 -2.30 -0.04 0.00 -1.68 0.00 0.00 37.83 33.50 3m4p s LYS 354 CO 0.35 -0.64 1.12 0.08 -0.76 0.00 0.00 175.35 175.50 3m4p s VAL 355 N -2.94 4.37 0.06 3.17 1.01 -0.22 -4.51 120.40 121.34 3m4p s VAL 355 Ca 0.53 1.70 -0.33 0.00 0.00 0.00 0.00 61.98 63.88 3m4p s VAL 355 Cb -0.10 -4.09 -0.12 0.00 0.00 0.00 0.00 36.38 32.07 3m4p s VAL 355 CO 0.44 0.11 1.77 -0.81 0.00 0.00 0.00 175.10 176.61 3m4p n PRO 356 N 4.11 2.37 0.00 2.72 -0.04 -1.26 -0.87 135.00 142.04 3m4p n PRO 356 Ca 0.08 0.86 0.00 0.00 -0.04 0.00 0.00 63.50 64.41 3m4p n PRO 356 Cb 0.48 -2.70 0.00 0.00 -0.04 0.00 0.00 33.50 31.24 3m4p n PRO 356 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3m4p n GLY 357 N 4.02 3.02 2.42 0.55 0.00 -1.26 -4.95 105.19 108.99 3m4p n GLY 357 Ca 0.19 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.94 3m4p n GLY 357 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3m4p n HIS 358 N -2.00 -0.37 0.26 1.61 8.25 -0.05 -4.99 115.22 117.94 3m4p n HIS 358 Ca 0.00 -3.45 0.17 0.00 -0.26 0.00 0.00 57.72 54.18 3m4p n HIS 358 Cb 0.00 0.09 0.87 0.00 1.12 0.00 0.00 29.99 32.06 3m4p n HIS 358 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 3m4p h PRO 359 N 5.37 0.00 0.00 -0.41 0.11 -1.93 -1.10 132.00 134.04 3m4p h PRO 359 Ca 0.23 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.31 3m4p h PRO 359 Cb 0.89 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.99 3m4p h PRO 359 CO 0.42 0.00 -0.16 0.38 -0.21 0.00 0.00 178.00 178.44 3m4p h ASP 360 N 0.00 0.00 -2.82 -2.05 2.03 -1.94 -3.45 116.42 108.19 3m4p h ASP 360 Ca 0.00 0.00 -0.59 0.00 -0.73 0.00 0.00 57.03 55.71 3m4p h ASP 360 Cb 0.06 0.00 -0.10 0.00 -0.83 0.00 0.00 39.33 38.46 3m4p h ASP 360 CO 0.00 0.16 -0.63 -0.76 -1.03 0.00 0.00 179.24 176.98 3m4p s LEU 361 N -6.71 3.47 0.19 0.15 1.43 -0.42 -0.54 118.68 116.25 3m4p s LEU 361 Ca 0.00 -0.31 0.08 0.00 -1.03 0.00 0.00 54.13 52.87 3m4p s LEU 361 Cb 0.10 -2.11 -0.04 0.00 0.03 0.00 0.00 46.19 44.17 3m4p s LEU 361 CO 0.60 0.08 -0.01 0.42 0.23 0.00 0.00 176.35 177.67 3m4p s THR 362 N -1.73 3.60 -1.30 5.49 -4.23 -0.45 -1.05 115.64 115.98 3m4p s THR 362 Ca 0.29 -1.52 -0.10 0.00 -1.18 0.00 0.00 61.69 59.17 3m4p s THR 362 Cb -0.10 -2.82 0.15 0.00 1.34 0.00 0.00 72.50 71.07 3m4p s THR 362 CO 0.20 -0.15 1.91 -0.62 -0.54 0.00 0.00 174.62 175.42 3m4p n GLU 363 N -0.20 3.53 -4.42 3.99 1.02 -0.62 -3.77 120.64 120.16 3m4p n GLU 363 Ca -0.09 -3.43 -0.29 0.00 -0.02 0.00 0.00 57.16 53.33 3m4p n GLU 363 Cb 0.56 -2.97 -0.13 0.00 -0.02 0.00 0.00 31.44 28.87 3m4p n GLU 363 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 3m4p s SER 364 N 1.18 3.30 0.01 1.62 1.04 -1.26 -1.41 113.70 118.18 3m4p s SER 364 Ca 0.41 -0.74 0.03 0.00 0.48 0.00 0.00 55.95 56.12 3m4p s SER 364 Cb 0.10 -0.22 -0.01 0.00 0.10 0.00 0.00 66.02 65.98 3m4p s SER 364 CO -0.01 0.18 -0.09 0.54 0.98 0.00 0.00 173.24 174.85 3m4p s VAL 365 N -1.04 0.71 -0.13 5.02 0.11 -0.16 -2.07 120.40 122.83 3m4p s VAL 365 Ca 0.14 -0.52 0.00 0.00 -2.93 0.00 0.00 61.98 58.67 3m4p s VAL 365 Cb -0.10 -0.62 0.02 0.00 -1.53 0.00 0.00 36.38 34.15 3m4p s VAL 365 CO 0.06 0.10 -0.12 -1.81 -3.33 0.00 0.00 175.10 170.00 3m4p s ASP 366 N -0.47 2.50 -0.52 3.54 1.01 0.14 -1.06 116.67 121.81 3m4p s ASP 366 Ca 0.02 -0.42 -0.22 0.00 0.71 0.00 0.00 52.55 52.63 3m4p s ASP 366 Cb -0.05 -1.06 0.04 0.00 1.01 0.00 0.00 42.92 42.86 3m4p s ASP 366 CO -0.00 -0.07 0.80 -0.22 0.21 0.00 0.00 175.17 175.89 3m4p s LEU 367 N 1.50 4.43 -0.08 1.23 2.96 -0.13 -0.22 118.68 128.38 3m4p s LEU 367 Ca 0.04 -0.50 -0.12 0.00 -0.22 0.00 0.00 54.13 53.32 3m4p s LEU 367 Cb -0.13 -2.71 -0.05 0.00 0.50 0.00 0.00 46.19 43.80 3m4p s LEU 367 CO -0.09 -1.05 0.30 -0.76 -1.32 0.00 0.00 176.35 173.43 3m4p s LEU 368 N 3.36 4.39 -0.11 -0.68 1.43 0.80 -1.22 118.68 126.65 3m4p s LEU 368 Ca 0.25 0.69 0.01 0.00 -1.03 0.00 0.00 54.13 54.05 3m4p s LEU 368 Cb -0.15 -2.37 0.02 0.00 0.03 0.00 0.00 46.19 43.72 3m4p s LEU 368 CO 0.17 0.29 -0.12 -0.32 0.23 0.00 0.00 176.35 176.60 3m4p s MET 369 N -0.66 1.90 0.03 1.70 1.75 0.45 -1.21 119.30 123.27 3m4p s MET 369 Ca 0.19 -0.43 -0.35 0.00 -1.25 0.00 0.00 55.69 53.85 3m4p s MET 369 Cb -0.14 -1.71 -0.14 0.00 2.84 0.00 0.00 34.83 35.67 3m4p s MET 369 CO 0.08 -0.13 1.62 -2.30 -0.65 0.00 0.00 175.02 173.64 3m4p n PRO 370 N 4.42 1.82 0.00 4.11 -0.02 -1.26 -0.88 135.00 143.20 3m4p n PRO 370 Ca -0.18 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 61.97 3m4p n PRO 370 Cb 0.51 -2.41 0.00 0.00 -0.02 0.00 0.00 33.50 31.58 3m4p n PRO 370 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3m4p n GLY 371 N 3.55 2.55 0.00 -1.23 0.00 -1.26 -4.78 105.19 104.02 3m4p n GLY 371 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 3m4p n GLY 371 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3m4p n VAL 372 N -0.46 0.00 -1.71 1.61 0.24 -0.87 -5.01 118.33 112.12 3m4p n VAL 372 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 3m4p n VAL 372 Cb 0.00 -0.13 0.00 0.00 -1.47 0.00 0.00 33.84 32.24 3m4p n VAL 372 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3m4p n GLY 373 N 1.67 0.68 3.67 7.63 0.00 -0.06 -4.89 105.19 113.89 3m4p n GLY 373 Ca 0.00 -1.35 -0.42 0.00 0.00 0.00 0.00 46.02 44.25 3m4p n GLY 373 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3m4p s GLU 374 N 0.00 4.18 -0.01 1.61 2.12 -1.26 -0.41 118.70 124.94 3m4p s GLU 374 Ca 0.00 2.29 0.06 0.00 0.36 0.00 0.00 54.97 57.68 3m4p s GLU 374 Cb 0.00 -3.87 -0.09 0.00 0.26 0.00 0.00 34.13 30.43 3m4p s GLU 374 CO 0.00 -0.82 0.13 0.44 -0.54 0.00 0.00 175.26 174.48 3m4p n ILE 375 N 5.21 0.00 -4.05 -3.70 -5.35 -0.36 -4.92 119.36 106.19 3m4p n ILE 375 Ca 0.17 -0.14 -0.16 0.00 -0.27 0.00 0.00 62.75 62.34 3m4p n ILE 375 Cb 0.42 0.41 -0.15 0.00 -1.74 0.00 0.00 39.64 38.57 3m4p n ILE 375 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 3m4p s VAL 376 N -2.35 0.30 -0.10 7.28 1.01 -1.22 -1.04 120.40 124.30 3m4p s VAL 376 Ca -0.02 -0.07 -0.01 0.00 0.00 0.00 0.00 61.98 61.88 3m4p s VAL 376 Cb 0.04 -0.32 0.03 0.00 0.00 0.00 0.00 36.38 36.12 3m4p s VAL 376 CO 0.24 0.13 -0.06 -0.83 0.00 0.00 0.00 175.10 174.58 3m4p s GLY 377 N 0.46 0.74 0.34 4.51 0.00 -0.30 -0.96 107.32 112.10 3m4p s GLY 377 Ca -0.05 -0.43 -0.03 0.00 0.00 0.00 0.00 44.72 44.20 3m4p s GLY 377 CO -0.01 0.86 0.48 -0.32 0.00 0.00 0.00 173.10 174.11 3m4p s GLY 378 N 1.73 1.39 0.10 0.20 0.00 -0.23 -1.05 107.32 109.47 3m4p s GLY 378 Ca 0.04 -1.46 -0.26 0.00 0.00 0.00 0.00 44.72 43.04 3m4p s GLY 378 CO -0.07 -0.96 1.07 -1.35 0.00 0.00 0.00 173.10 171.79 3m4p s SER 379 N -3.22 -0.13 0.34 1.64 1.04 -0.72 -0.99 113.70 111.68 3m4p s SER 379 Ca 0.30 -0.34 -0.10 0.00 0.48 0.00 0.00 55.95 56.29 3m4p s SER 379 Cb -0.00 0.39 -0.07 0.00 0.10 0.00 0.00 66.02 66.43 3m4p s SER 379 CO 0.19 -0.72 0.69 -0.04 0.98 0.00 0.00 173.24 174.34 3m4p s MET 380 N -2.94 3.79 0.06 4.02 -1.94 -0.50 -1.93 119.30 119.86 3m4p s MET 380 Ca 0.14 0.38 0.03 0.00 -1.71 0.00 0.00 55.69 54.53 3m4p s MET 380 Cb 0.00 -2.49 -0.04 0.00 2.01 0.00 0.00 34.83 34.32 3m4p s MET 380 CO 0.01 0.10 0.04 1.03 -0.01 0.00 0.00 175.02 176.18 3m4p s ARG 381 N -3.49 2.78 0.08 2.03 1.81 -0.55 -1.47 118.95 120.14 3m4p s ARG 381 Ca 0.50 -0.70 -0.31 0.00 -1.72 0.00 0.00 55.73 53.50 3m4p s ARG 381 Cb -0.10 -2.67 -0.09 0.00 -0.45 0.00 0.00 34.95 31.63 3m4p s ARG 381 CO 0.27 0.58 1.70 0.42 -0.68 0.00 0.00 175.30 177.59 3m4p s ILE 382 N -1.29 2.94 -0.08 1.52 1.01 -0.48 -4.32 121.20 120.50 3m4p s ILE 382 Ca 0.26 0.39 0.10 0.00 0.00 0.00 0.00 60.65 61.39 3m4p s ILE 382 Cb -0.12 -3.25 0.16 0.00 0.01 0.00 0.00 42.46 39.26 3m4p s ILE 382 CO 0.18 -0.00 1.09 -2.67 0.00 0.00 0.00 174.94 173.53 3m4p n TRP 383 N 5.70 0.03 -4.21 3.97 4.27 -1.26 -4.93 117.44 121.01 3m4p n TRP 383 Ca 0.16 -0.75 -0.34 0.00 -3.89 0.00 0.00 57.50 52.68 3m4p n TRP 383 Cb 0.40 -0.10 -0.14 0.00 -1.36 0.00 0.00 31.31 30.11 3m4p n TRP 383 CO 0.00 0.00 0.00 1.21 -2.29 0.00 0.00 177.69 176.61 3m4p s ASN 384 N -1.94 4.25 0.12 -0.67 3.84 -1.26 -4.66 114.94 114.62 3m4p s ASN 384 Ca 0.17 -0.35 -0.31 0.00 0.21 0.00 0.00 52.86 52.58 3m4p s ASN 384 Cb 0.15 -1.70 -0.09 0.00 -0.55 0.00 0.00 41.25 39.06 3m4p s ASN 384 CO 0.02 0.05 1.57 0.22 -2.79 0.00 0.00 177.10 176.18 3m4p h TYR 385 N 7.55 -1.32 -1.00 0.43 3.20 -1.94 -0.79 116.97 123.11 3m4p h TYR 385 Ca -0.36 0.05 0.02 0.00 3.14 0.00 0.00 58.73 61.58 3m4p h TYR 385 Cb 1.18 0.58 -0.05 0.00 1.54 0.00 0.00 36.73 39.98 3m4p h TYR 385 CO 0.55 -0.51 0.66 -0.44 -1.64 0.00 0.00 178.16 176.78 3m4p h ASP 386 N -0.57 1.13 -0.05 -2.11 5.19 -1.97 -0.08 116.42 117.96 3m4p h ASP 386 Ca 0.05 -0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.44 3m4p h ASP 386 Cb 0.66 -0.27 -0.00 0.00 0.18 0.00 0.00 39.33 39.90 3m4p h ASP 386 CO -0.37 0.80 0.02 -0.08 -3.12 0.00 0.00 179.24 176.49 3m4p h GLU 387 N 1.32 0.05 -0.44 3.56 4.81 -1.87 -1.33 114.58 120.69 3m4p h GLU 387 Ca 0.38 -0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.59 3m4p h GLU 387 Cb -0.09 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.26 3m4p h GLU 387 CO -0.10 0.03 0.19 1.25 -0.73 0.00 0.00 179.01 179.66 3m4p h LEU 388 N 0.05 0.59 -1.28 1.64 5.85 -0.53 0.40 115.31 122.04 3m4p h LEU 388 Ca 0.02 -0.15 -0.01 0.00 0.84 0.00 0.00 57.88 58.58 3m4p h LEU 388 Cb 0.01 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 40.86 3m4p h LEU 388 CO -0.02 0.57 0.30 0.24 -0.34 0.00 0.00 178.44 179.19 3m4p h MET 389 N 0.57 0.79 -0.01 1.25 2.86 -0.97 0.28 114.93 119.70 3m4p h MET 389 Ca 0.15 -0.09 -0.11 0.00 -2.06 0.00 0.00 59.70 57.59 3m4p h MET 389 Cb 0.16 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 31.64 3m4p h MET 389 CO -0.02 0.59 -0.52 0.78 1.06 0.00 0.00 176.91 178.81 3m4p h GLY 390 N 0.87 0.03 0.99 8.32 0.00 -0.65 -2.79 103.07 109.85 3m4p h GLY 390 Ca 0.20 -0.04 -0.04 0.00 0.00 0.00 0.00 47.33 47.46 3m4p h GLY 390 CO -0.03 0.03 0.22 0.00 0.00 0.00 0.00 176.54 176.76 3m4p h ALA 391 N 1.45 0.76 -0.80 3.60 0.00 0.17 -1.02 119.26 123.42 3m4p h ALA 391 Ca -0.00 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 3m4p h ALA 391 Cb 0.93 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.46 3m4p h ALA 391 CO 0.07 0.38 0.37 1.88 0.00 0.00 0.00 179.25 181.95 3m4p h TYR 392 N 0.80 1.17 -0.22 0.00 0.05 -0.98 -2.55 116.97 115.24 3m4p h TYR 392 Ca 0.19 -0.06 -0.05 0.00 0.05 0.00 0.00 58.73 58.86 3m4p h TYR 392 Cb 0.22 -0.36 -0.01 0.00 1.01 0.00 0.00 36.73 37.60 3m4p h TYR 392 CO 0.01 0.86 -0.04 -0.22 -1.05 0.00 0.00 178.16 177.72 3m4p h LYS 393 N 1.14 0.42 -0.70 4.88 3.64 -1.33 -0.27 116.57 124.35 3m4p h LYS 393 Ca 0.27 -0.15 0.01 0.00 -1.27 0.00 0.00 60.65 59.51 3m4p h LYS 393 Cb 0.14 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 31.90 3m4p h LYS 393 CO -0.03 0.65 0.46 0.00 -2.27 0.00 0.00 179.45 178.26 3m4p h ALA 394 N 0.76 1.53 -0.01 5.00 0.00 -1.14 -1.78 119.26 123.62 3m4p h ALA 394 Ca 0.06 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3m4p h ALA 394 Cb 0.49 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3m4p h ALA 394 CO 0.02 0.42 -0.11 0.09 0.00 0.00 0.00 179.25 179.68 3m4p n ASN 395 N -4.44 1.60 -2.06 0.00 3.02 -0.97 -4.96 115.26 107.45 3m4p n ASN 395 Ca 0.08 -1.39 -0.16 0.00 -0.03 0.00 0.00 54.58 53.07 3m4p n ASN 395 Cb 0.06 0.07 0.01 0.00 -0.61 0.00 0.00 39.78 39.31 3m4p n ASN 395 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3m4p n GLY 396 N 1.26 -0.25 3.85 7.41 0.00 -0.25 -5.01 105.19 112.21 3m4p n GLY 396 Ca 0.16 -0.16 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 3m4p n GLY 396 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3m4p s LEU 397 N -4.83 4.20 -0.04 0.99 1.43 -0.43 -5.03 118.68 114.96 3m4p s LEU 397 Ca 0.11 0.34 -0.30 0.00 -1.03 0.00 0.00 54.13 53.25 3m4p s LEU 397 Cb -0.05 -2.25 -0.03 0.00 0.03 0.00 0.00 46.19 43.89 3m4p s LEU 397 CO 0.14 0.34 1.17 0.21 0.23 0.00 0.00 176.35 178.44 3m4p s ASN 398 N -1.42 7.09 0.00 2.29 3.84 -1.26 -4.46 114.94 121.02 3m4p s ASN 398 Ca 0.20 1.80 0.27 0.00 0.21 0.00 0.00 52.86 55.34 3m4p s ASN 398 Cb -0.12 -2.56 0.96 0.00 -0.55 0.00 0.00 41.25 38.97 3m4p s ASN 398 CO 0.10 -0.54 1.73 -0.81 -2.79 0.00 0.00 177.10 174.79 3m4p n PRO 399 N 4.97 0.04 -0.24 0.43 -0.04 -1.26 -4.37 135.00 134.52 3m4p n PRO 399 Ca 0.10 -0.01 -0.07 0.00 -0.04 0.00 0.00 63.50 63.48 3m4p n PRO 399 Cb 0.47 -1.50 0.04 0.00 -0.04 0.00 0.00 33.50 32.47 3m4p n PRO 399 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 3m4p h ASP 400 N 0.03 0.98 0.68 3.54 3.32 -2.01 -2.07 116.42 120.88 3m4p h ASP 400 Ca 0.00 -0.20 -0.01 0.00 0.02 0.00 0.00 57.03 56.84 3m4p h ASP 400 Cb 0.49 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 39.79 3m4p h ASP 400 CO 0.00 0.92 -0.04 -0.65 -1.72 0.00 0.00 179.24 177.76 3m4p h PRO 401 N 0.98 0.00 -0.72 3.56 0.11 -2.02 -3.09 132.00 130.81 3m4p h PRO 401 Ca 0.22 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 66.23 3m4p h PRO 401 Cb 0.29 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 31.34 3m4p h PRO 401 CO -0.01 0.04 0.13 0.66 -0.21 0.00 0.00 178.00 178.60 3m4p n TYR 402 N -3.19 1.98 -0.30 0.65 4.01 -0.78 -4.63 117.16 114.90 3m4p n TYR 402 Ca -0.01 -0.85 0.14 0.00 -0.16 0.00 0.00 57.90 57.02 3m4p n TYR 402 Cb 0.25 -0.54 0.31 0.00 -0.31 0.00 0.00 39.34 39.05 3m4p n TYR 402 CO 0.00 0.00 0.00 0.10 -0.46 0.00 0.00 176.86 176.50 3m4p h TYR 403 N 2.85 0.40 -0.24 -0.72 -0.00 -1.51 0.12 116.97 117.88 3m4p h TYR 403 Ca 0.12 0.05 -0.09 0.00 0.00 0.00 0.00 58.73 58.81 3m4p h TYR 403 Cb 1.96 -0.03 -0.01 0.00 0.00 0.00 0.00 36.73 38.65 3m4p h TYR 403 CO 1.04 -0.22 -0.24 0.11 -0.00 0.00 0.00 178.16 178.85 3m4p h TRP 404 N 0.21 0.49 0.10 0.10 5.08 -1.90 0.79 115.95 120.82 3m4p h TRP 404 Ca 0.58 -0.10 -0.27 0.00 1.08 0.00 0.00 58.89 60.18 3m4p h TRP 404 Cb 1.19 -0.12 0.01 0.00 -3.00 0.00 0.00 29.16 27.23 3m4p h TRP 404 CO -0.25 0.65 -1.17 -0.92 -1.28 0.00 0.00 178.44 175.48 3m4p h TYR 405 N 0.39 0.63 0.00 0.12 3.20 -1.35 -3.31 116.97 116.66 3m4p h TYR 405 Ca 0.06 -0.42 -0.22 0.00 3.14 0.00 0.00 58.73 61.29 3m4p h TYR 405 Cb 0.64 -0.04 0.00 0.00 1.54 0.00 0.00 36.73 38.87 3m4p h TYR 405 CO 0.02 1.29 -0.94 1.15 -1.64 0.00 0.00 178.16 178.04 3m4p h THR 406 N 0.15 1.41 0.00 1.81 2.02 -0.67 -3.14 112.91 114.49 3m4p h THR 406 Ca -0.13 -2.46 0.00 0.00 0.77 0.00 0.00 66.41 64.58 3m4p h THR 406 Cb 1.86 2.42 0.00 0.00 -1.74 0.00 0.00 68.15 70.69 3m4p h THR 406 CO 0.20 0.73 0.00 0.00 0.37 0.00 0.00 175.52 176.83 3m4p n GLN 407 N -3.74 0.09 0.20 6.66 6.02 0.26 -1.63 117.38 125.24 3m4p n GLN 407 Ca -0.06 0.44 0.04 0.00 -0.01 0.00 0.00 57.00 57.41 3m4p n GLN 407 Cb 0.83 -1.72 0.42 0.00 1.02 0.00 0.00 30.24 30.79 3m4p n GLN 407 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 177.06 178.01 3m4p h GLN 408 N 0.00 0.00 0.00 -1.09 1.08 -1.63 -1.44 115.11 112.04 3m4p h GLN 408 Ca 0.00 0.00 -0.19 0.00 -1.45 0.00 0.00 58.65 57.01 3m4p h GLN 408 Cb 0.18 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.58 3m4p h GLN 408 CO 0.00 0.31 -0.92 0.00 -0.95 0.00 0.00 178.83 177.27 3m4p h ARG 409 N 0.00 0.00 0.02 1.46 -0.00 -1.50 -3.26 114.38 111.10 3m4p h ARG 409 Ca -0.00 0.00 -0.15 0.00 -0.50 0.00 0.00 59.98 59.32 3m4p h ARG 409 Cb 0.57 0.00 0.01 0.00 0.00 0.00 0.00 29.97 30.55 3m4p h ARG 409 CO 0.04 0.85 -0.61 -0.22 0.00 0.00 0.00 179.97 180.03 3m4p h LYS 410 N 0.00 0.38 -3.54 0.04 3.64 -1.43 -3.37 116.57 112.29 3m4p h LYS 410 Ca -0.02 -0.43 -0.72 0.00 -1.27 0.00 0.00 60.65 58.21 3m4p h LYS 410 Cb 1.69 0.13 -0.34 0.00 -0.41 0.00 0.00 32.23 33.30 3m4p h LYS 410 CO 0.11 1.11 -0.20 0.71 -2.27 0.00 0.00 179.45 178.91 3m4p s TYR 411 N -3.11 3.60 -0.52 1.91 2.02 -0.58 -4.75 117.35 115.93 3m4p s TYR 411 Ca -0.13 -2.69 -0.00 0.00 -0.37 0.00 0.00 57.07 53.87 3m4p s TYR 411 Cb 0.03 -3.32 -0.00 0.00 -0.40 0.00 0.00 41.96 38.26 3m4p s TYR 411 CO 0.82 -0.84 0.48 0.41 -1.57 0.00 0.00 175.55 174.85 3m4p n GLY 412 N 3.23 -0.88 3.86 0.71 0.00 -1.26 -4.85 105.19 105.99 3m4p n GLY 412 Ca 0.13 0.25 -0.31 0.00 0.00 0.00 0.00 46.02 46.10 3m4p n GLY 412 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3m4p s SER 413 N -2.73 5.82 0.06 1.61 0.15 -1.23 -4.92 113.70 112.46 3m4p s SER 413 Ca 0.03 1.40 -0.12 0.00 0.70 0.00 0.00 55.95 57.96 3m4p s SER 413 Cb -0.00 -2.35 0.01 0.00 -1.71 0.00 0.00 66.02 61.97 3m4p s SER 413 CO 0.50 -1.13 0.27 0.00 1.20 0.00 0.00 173.24 174.08 3m4p s PRO 415 N -2.89 4.25 0.05 0.00 0.04 -1.26 -4.79 135.00 130.40 3m4p s PRO 415 Ca -0.03 2.00 -0.04 0.00 0.04 0.00 0.00 61.00 62.98 3m4p s PRO 415 Cb 0.00 -3.69 -0.02 0.00 0.04 0.00 0.00 34.50 30.83 3m4p s PRO 415 CO -0.06 -0.66 0.05 -3.38 0.04 0.00 0.00 177.00 172.99 3m4p s HIS 416 N 2.92 0.31 0.17 0.56 -3.43 -1.26 0.31 115.29 114.87 3m4p s HIS 416 Ca 0.65 -0.72 -0.07 0.00 -0.80 0.00 0.00 55.06 54.12 3m4p s HIS 416 Cb -0.31 -0.22 -0.02 0.00 -1.43 0.00 0.00 32.58 30.60 3m4p s HIS 416 CO 0.26 -0.38 0.25 0.20 -2.00 0.00 0.00 174.74 173.07 3m4p s GLY 417 N -2.46 0.68 0.04 -1.38 0.00 -0.63 -1.48 107.32 102.08 3m4p s GLY 417 Ca -0.00 -1.07 -0.27 0.00 0.00 0.00 0.00 44.72 43.37 3m4p s GLY 417 CO -0.07 -0.96 1.22 -0.32 0.00 0.00 0.00 173.10 172.96 3m4p s GLY 418 N -3.01 -0.14 0.14 0.20 0.00 -0.81 0.26 107.32 103.97 3m4p s GLY 418 Ca 0.21 0.09 -0.14 0.00 0.00 0.00 0.00 44.72 44.88 3m4p s GLY 418 CO 0.03 3.45 0.38 -2.52 0.00 0.00 0.00 173.10 174.44 3m4p s TYR 419 N -2.19 -0.04 0.09 1.90 -0.85 -0.38 -1.75 117.35 114.13 3m4p s TYR 419 Ca 0.24 -0.30 0.09 0.00 -0.52 0.00 0.00 57.07 56.57 3m4p s TYR 419 Cb 0.00 0.20 -0.04 0.00 0.38 0.00 0.00 41.96 42.50 3m4p s TYR 419 CO 0.00 -0.73 -0.21 0.20 -1.52 0.00 0.00 175.55 173.29 3m4p s GLY 420 N -2.85 1.61 -0.03 5.49 0.00 -0.21 -1.80 107.32 109.51 3m4p s GLY 420 Ca 0.07 -1.33 0.03 0.00 0.00 0.00 0.00 44.72 43.49 3m4p s GLY 420 CO -0.08 -1.27 -0.10 -2.27 0.00 0.00 0.00 173.10 169.38 3m4p s LEU 421 N -1.84 1.78 -0.51 0.66 0.20 0.12 -1.15 118.68 117.95 3m4p s LEU 421 Ca 0.16 -0.21 -0.25 0.00 0.69 0.00 0.00 54.13 54.51 3m4p s LEU 421 Cb -0.10 -0.62 0.03 0.00 -0.43 0.00 0.00 46.19 45.07 3m4p s LEU 421 CO 0.07 0.07 0.92 -0.83 -0.29 0.00 0.00 176.35 176.30 3m4p s GLY 422 N 0.22 1.45 0.03 7.98 0.00 -0.20 -1.59 107.32 115.20 3m4p s GLY 422 Ca -0.04 -1.04 -0.25 0.00 0.00 0.00 0.00 44.72 43.40 3m4p s GLY 422 CO 0.01 2.02 1.47 -2.08 0.00 0.00 0.00 173.10 174.52 3m4p h VAL 423 N 6.04 1.22 0.00 1.40 2.07 -1.84 -2.03 116.25 123.12 3m4p h VAL 423 Ca -0.25 -0.66 -0.08 0.00 0.82 0.00 0.00 66.70 66.54 3m4p h VAL 423 Cb 1.08 1.67 -0.01 0.00 -1.52 0.00 0.00 31.29 32.50 3m4p h VAL 423 CO 1.05 0.17 -0.37 1.05 0.02 0.00 0.00 177.57 179.49 3m4p h GLU 424 N -0.28 0.00 -0.75 1.57 9.09 -1.92 -0.41 114.58 121.87 3m4p h GLU 424 Ca -0.00 0.00 -0.05 0.00 0.05 0.00 0.00 59.36 59.36 3m4p h GLU 424 Cb 0.28 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 27.35 3m4p h GLU 424 CO 0.00 0.37 0.26 0.00 0.05 0.00 0.00 179.01 179.69 3m4p h ARG 425 N 0.00 1.15 0.20 1.06 3.08 -1.92 -0.03 114.38 117.92 3m4p h ARG 425 Ca -0.00 -0.23 -0.01 0.00 0.07 0.00 0.00 59.98 59.80 3m4p h ARG 425 Cb 0.68 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.56 3m4p h ARG 425 CO 0.05 0.96 -0.10 1.25 -1.07 0.00 0.00 179.97 181.07 3m4p h LEU 426 N 1.11 -0.23 -0.70 3.04 5.85 -0.61 -2.06 115.31 121.71 3m4p h LEU 426 Ca 0.25 -0.16 0.13 0.00 0.84 0.00 0.00 57.88 58.94 3m4p h LEU 426 Cb 0.28 0.06 -0.09 0.00 0.37 0.00 0.00 40.66 41.27 3m4p h LEU 426 CO -0.01 0.03 0.24 0.58 -0.34 0.00 0.00 178.44 178.94 3m4p h VAL 427 N -0.49 0.66 -0.26 1.05 2.07 -1.01 0.89 116.25 119.16 3m4p h VAL 427 Ca -0.03 -0.13 0.06 0.00 0.82 0.00 0.00 66.70 67.42 3m4p h VAL 427 Cb 0.37 0.24 -0.07 0.00 -1.52 0.00 0.00 31.29 30.31 3m4p h VAL 427 CO 0.05 0.07 -0.18 -0.03 0.02 0.00 0.00 177.57 177.49 3m4p h MET 428 N 0.38 -0.16 -0.05 1.57 1.85 -0.90 -0.15 114.93 117.47 3m4p h MET 428 Ca 0.38 0.01 -0.00 0.00 -0.61 0.00 0.00 59.70 59.48 3m4p h MET 428 Cb 0.56 0.04 -0.00 0.00 0.43 0.00 0.00 31.60 32.63 3m4p h MET 428 CO -0.40 -0.11 0.03 2.35 -0.40 0.00 0.00 176.91 178.38 3m4p h TRP 429 N -0.16 0.06 0.02 1.39 7.01 -0.38 0.86 115.95 124.76 3m4p h TRP 429 Ca 0.14 -0.00 -0.00 0.00 2.11 0.00 0.00 58.89 61.14 3m4p h TRP 429 Cb 0.38 -0.02 0.00 0.00 -2.10 0.00 0.00 29.16 27.42 3m4p h TRP 429 CO -0.35 0.10 -0.01 1.25 -2.79 0.00 0.00 178.44 176.64 3m4p h LEU 430 N 0.01 -0.03 -0.17 0.65 5.85 -0.58 -2.87 115.31 118.17 3m4p h LEU 430 Ca 0.02 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.60 3m4p h LEU 430 Cb 0.06 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.09 3m4p h LEU 430 CO -0.00 0.12 -0.10 0.18 -0.34 0.00 0.00 178.44 178.29 3m4p n LEU 431 N -5.04 0.37 -2.56 2.25 4.77 -0.10 -4.82 117.00 111.87 3m4p n LEU 431 Ca -0.08 0.08 -0.14 0.00 -0.03 0.00 0.00 56.01 55.84 3m4p n LEU 431 Cb 0.10 -0.21 0.06 0.00 -2.33 0.00 0.00 43.42 41.03 3m4p n LEU 431 CO 0.33 0.07 0.12 0.61 -1.33 0.00 0.00 177.39 177.19 3m4p n GLY 432 N 1.30 -0.06 3.83 -0.72 0.00 0.19 -4.23 105.19 105.50 3m4p n GLY 432 Ca 0.14 -0.08 -0.38 0.00 0.00 0.00 0.00 46.02 45.70 3m4p n GLY 432 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3m4p s GLU 433 N -5.41 3.95 0.23 1.61 2.56 -0.55 -4.92 118.70 116.17 3m4p s GLU 433 Ca 0.21 0.43 0.24 0.00 0.00 0.00 0.00 54.97 55.85 3m4p s GLU 433 Cb -0.09 -3.23 0.48 0.00 2.00 0.00 0.00 34.13 33.28 3m4p s GLU 433 CO 0.48 0.67 1.52 0.38 -0.56 0.00 0.00 175.26 177.75 3m4p h ASP 434 N 4.78 0.00 -3.58 -1.70 2.03 -1.95 -3.44 116.42 112.57 3m4p h ASP 434 Ca -0.51 -0.06 -0.32 0.00 -0.73 0.00 0.00 57.03 55.41 3m4p h ASP 434 Cb 1.22 0.00 -0.32 0.00 -0.83 0.00 0.00 39.33 39.39 3m4p h ASP 434 CO 0.62 0.03 -0.74 -1.00 -1.03 0.00 0.00 179.24 177.12 3m4p s HIS 435 N -3.18 0.23 0.46 4.15 3.76 -1.26 -5.02 115.29 114.43 3m4p s HIS 435 Ca 0.07 0.01 0.12 0.00 -0.15 0.00 0.00 55.06 55.12 3m4p s HIS 435 Cb 0.11 -0.30 1.06 0.00 1.11 0.00 0.00 32.58 34.55 3m4p s HIS 435 CO 0.67 -0.09 2.07 0.97 -0.85 0.00 0.00 174.74 177.51 3m4p h ILE 436 N 5.97 1.00 -0.66 0.60 2.10 -1.84 -1.08 117.51 123.61 3m4p h ILE 436 Ca -0.39 -0.11 0.14 0.00 1.08 0.00 0.00 64.86 65.58 3m4p h ILE 436 Cb 1.15 0.66 -0.04 0.00 -1.09 0.00 0.00 36.82 37.50 3m4p h ILE 436 CO 0.49 0.06 0.45 0.08 -1.08 0.00 0.00 178.15 178.14 3m4p h ARG 437 N 0.31 0.30 0.00 2.19 0.11 -1.93 -2.12 114.38 113.25 3m4p h ARG 437 Ca 0.14 -0.02 0.00 0.00 0.10 0.00 0.00 59.98 60.20 3m4p h ARG 437 Cb 0.15 -0.07 0.00 0.00 1.11 0.00 0.00 29.97 31.17 3m4p h ARG 437 CO -0.03 0.20 0.00 1.63 0.10 0.00 0.00 179.97 181.87 3m4p n LYS 438 N -4.45 0.08 -0.09 0.08 5.02 -0.41 -2.75 118.16 115.65 3m4p n LYS 438 Ca 0.12 0.32 0.10 0.00 -2.02 0.00 0.00 58.31 56.83 3m4p n LYS 438 Cb 0.51 -1.66 0.13 0.00 -0.02 0.00 0.00 35.03 33.99 3m4p n LYS 438 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3m4p n VAL 439 N -1.81 0.30 -4.18 -0.18 0.31 -0.80 -4.93 118.33 107.03 3m4p n VAL 439 Ca 0.03 -0.65 -0.23 0.00 -0.01 0.00 0.00 64.34 63.48 3m4p n VAL 439 Cb 0.20 1.13 -0.06 0.00 -0.91 0.00 0.00 33.84 34.19 3m4p n VAL 439 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3m4p h LEU 441 N 1.68 -0.03 -6.79 0.00 5.85 -1.93 -3.43 115.31 110.67 3m4p h LEU 441 Ca -0.44 0.00 -0.60 0.00 0.84 0.00 0.00 57.88 57.68 3m4p h LEU 441 Cb 1.25 0.01 -0.40 0.00 0.37 0.00 0.00 40.66 41.89 3m4p h LEU 441 CO 0.62 -0.00 -0.79 -0.31 -0.34 0.00 0.00 178.44 177.62 3m4p s TYR 442 N -1.84 1.73 0.72 1.25 2.02 -1.26 -4.92 117.35 115.05 3m4p s TYR 442 Ca -0.00 -2.35 -0.13 0.00 -0.37 0.00 0.00 57.07 54.21 3m4p s TYR 442 Cb 0.00 -1.59 0.03 0.00 -0.40 0.00 0.00 41.96 40.01 3m4p s TYR 442 CO 0.01 -0.77 1.13 -1.25 -1.57 0.00 0.00 175.55 173.10 3m4p s PRO 443 N 0.22 2.40 -0.15 -1.71 0.04 -1.26 -4.93 135.00 129.60 3m4p s PRO 443 Ca 0.22 1.41 -0.02 0.00 0.04 0.00 0.00 61.00 62.66 3m4p s PRO 443 Cb -0.16 -1.90 -0.01 0.00 0.04 0.00 0.00 34.50 32.47 3m4p s PRO 443 CO -0.06 -1.57 -0.10 1.03 0.04 0.00 0.00 177.00 176.35 3m4p s ARG 444 N -4.31 3.42 0.27 4.56 1.81 -1.26 -4.67 118.95 118.78 3m4p s ARG 444 Ca 0.67 -0.65 -0.20 0.00 -1.72 0.00 0.00 55.73 53.84 3m4p s ARG 444 Cb -0.21 -2.76 0.07 0.00 -0.45 0.00 0.00 34.95 31.59 3m4p s ARG 444 CO 0.47 0.12 0.92 1.52 -0.68 0.00 0.00 175.30 177.66 3m4p s TYR 445 N 0.61 0.08 0.07 -0.53 -0.85 -0.97 -0.13 117.35 115.62 3m4p s TYR 445 Ca -0.06 -0.59 -0.37 0.00 -0.52 0.00 0.00 57.07 55.53 3m4p s TYR 445 Cb -0.15 0.76 -0.17 0.00 0.38 0.00 0.00 41.96 42.77 3m4p s TYR 445 CO 0.03 -1.20 1.27 -0.11 -1.52 0.00 0.00 175.55 174.02 3m4p n LEU 446 N -0.61 1.27 -0.90 -3.49 7.94 -1.26 -0.28 117.00 119.66 3m4p n LEU 446 Ca -0.05 1.13 -0.12 0.00 -1.11 0.00 0.00 56.01 55.86 3m4p n LEU 446 Cb 0.60 -1.13 -0.05 0.00 0.53 0.00 0.00 43.42 43.36 3m4p n LEU 446 CO 0.23 -1.25 -0.11 -0.62 -1.11 0.00 0.00 177.39 174.52 3m4p n GLU 447 N 2.26 -1.12 -3.49 1.96 1.02 -1.26 -4.96 120.64 115.05 3m4p n GLU 447 Ca 0.19 0.88 -0.24 0.00 -0.02 0.00 0.00 57.16 57.97 3m4p n GLU 447 Cb 0.17 -5.00 -0.13 0.00 -0.02 0.00 0.00 31.44 26.46 3m4p n GLU 447 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 3m4p s ARG 448 N -2.88 0.24 -0.02 3.49 6.06 0.62 -4.97 118.95 121.49 3m4p s ARG 448 Ca 0.00 -0.34 0.19 0.00 -2.50 0.00 0.00 55.73 53.08 3m4p s ARG 448 Cb 0.00 -0.98 0.34 0.00 0.06 0.00 0.00 34.95 34.37 3m4p s ARG 448 CO 0.00 -1.00 1.14 0.00 -2.50 0.00 0.00 175.30 172.94 3m4p s GLU 450 N -0.36 1.11 0.00 0.00 -1.05 -1.26 -5.11 118.70 112.02 3m4p s GLU 450 Ca 0.28 -0.01 0.00 0.00 -0.15 0.00 0.00 54.97 55.09 3m4p s GLU 450 Cb 0.31 0.52 0.00 0.00 -0.44 0.00 0.00 34.13 34.52 3m4p s GLU 450 CO -0.12 -0.40 0.33 -2.30 0.95 0.00 0.00 175.26 173.72