#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kya s GLU 30 N 0.00 0.79 0.06 7.34 -1.05 -1.26 -4.91 118.70 119.66 3kya s GLU 30 Ca 0.00 -0.16 -0.30 0.00 -0.15 0.00 0.00 54.97 54.36 3kya s GLU 30 Cb 0.00 -1.84 -0.09 0.00 -0.44 0.00 0.00 34.13 31.76 3kya s GLU 30 CO 0.00 -2.35 1.79 0.99 0.95 0.00 0.00 175.26 176.63 3kya s THR 31 N -3.63 2.95 0.00 1.83 2.01 -1.26 -1.63 115.64 115.90 3kya s THR 31 Ca 0.70 0.26 0.00 0.00 0.31 0.00 0.00 61.69 62.96 3kya s THR 31 Cb -0.08 -3.17 0.00 0.00 0.01 0.00 0.00 72.50 69.27 3kya s THR 31 CO 0.52 -0.01 0.00 0.61 -0.69 0.00 0.00 174.62 175.06 3kya n GLY 32 N 4.23 2.24 3.84 4.40 0.00 -1.26 -5.07 105.19 113.57 3kya n GLY 32 Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 3kya n GLY 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kya s ALA 33 N -2.46 3.07 0.22 4.61 0.00 -0.65 -4.29 121.76 122.26 3kya s ALA 33 Ca 0.00 0.20 -0.30 0.00 0.00 0.00 0.00 51.96 51.85 3kya s ALA 33 Cb 0.00 -3.11 -0.10 0.00 0.00 0.00 0.00 23.12 19.91 3kya s ALA 33 CO 0.00 -0.18 1.47 0.12 0.00 0.00 0.00 175.76 177.16 3kya s PHE 34 N -2.56 3.04 -0.34 0.00 5.36 -1.26 -4.72 117.98 117.50 3kya s PHE 34 Ca 0.59 0.92 0.01 0.00 -0.96 0.00 0.00 56.93 57.49 3kya s PHE 34 Cb -0.10 -3.84 0.09 0.00 -0.34 0.00 0.00 43.02 38.83 3kya s PHE 34 CO 0.29 -2.84 0.06 0.34 -1.46 0.00 0.00 175.22 171.61 3kya s ASP 35 N 0.61 4.87 0.00 6.13 -1.08 -1.26 -4.85 116.67 121.08 3kya s ASP 35 Ca 0.62 -1.91 0.09 0.00 -0.52 0.00 0.00 52.55 50.84 3kya s ASP 35 Cb -0.42 -1.68 0.43 0.00 -1.46 0.00 0.00 42.92 39.79 3kya s ASP 35 CO 0.39 -0.38 1.27 -0.81 0.52 0.00 0.00 175.17 176.17 3kya n PRO 36 N 4.41 0.04 0.00 4.34 -0.04 -1.26 -1.71 135.00 140.78 3kya n PRO 36 Ca -0.02 0.30 0.13 0.00 -0.04 0.00 0.00 63.50 63.87 3kya n PRO 36 Cb 0.42 -1.50 0.43 0.00 -0.04 0.00 0.00 33.50 32.81 3kya n PRO 36 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3kya n SER 37 N -1.44 1.07 -4.52 3.54 3.41 -1.26 -4.90 113.62 109.52 3kya n SER 37 Ca 0.03 -0.99 -0.29 0.00 -0.26 0.00 0.00 58.87 57.36 3kya n SER 37 Cb 0.10 0.09 -0.11 0.00 -0.26 0.00 0.00 64.21 64.03 3kya n SER 37 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3kya s LYS 38 N -2.39 1.91 0.89 4.33 -0.14 -0.69 -5.12 119.74 118.52 3kya s LYS 38 Ca 0.28 -1.14 -0.11 0.00 -1.36 0.00 0.00 55.97 53.64 3kya s LYS 38 Cb 0.20 -2.17 0.13 0.00 -1.68 0.00 0.00 37.83 34.30 3kya s LYS 38 CO 0.48 0.49 1.11 -1.25 -0.76 0.00 0.00 175.35 175.41 3kya s PRO 39 N -2.21 1.27 -0.11 -1.68 0.04 -1.26 -4.89 135.00 126.15 3kya s PRO 39 Ca 0.19 1.21 -0.05 0.00 0.04 0.00 0.00 61.00 62.40 3kya s PRO 39 Cb -0.11 -1.78 -0.04 0.00 0.04 0.00 0.00 34.50 32.62 3kya s PRO 39 CO 0.12 -2.35 0.06 0.08 0.04 0.00 0.00 177.00 174.95 3kya s VAL 40 N -2.77 4.85 0.04 -0.36 1.01 -1.26 -4.71 120.40 117.20 3kya s VAL 40 Ca 0.64 -0.04 0.04 0.00 0.00 0.00 0.00 61.98 62.63 3kya s VAL 40 Cb -0.20 -3.09 -0.02 0.00 0.00 0.00 0.00 36.38 33.07 3kya s VAL 40 CO 0.58 0.59 -0.13 0.00 0.00 0.00 0.00 175.10 176.14 3kya s ALA 41 N -0.79 1.06 -0.20 5.51 0.00 -0.96 -4.67 121.76 121.72 3kya s ALA 41 Ca 0.13 -0.78 -0.01 0.00 0.00 0.00 0.00 51.96 51.30 3kya s ALA 41 Cb -0.12 -0.16 0.00 0.00 0.00 0.00 0.00 23.12 22.85 3kya s ALA 41 CO 0.03 0.19 -0.12 0.42 0.00 0.00 0.00 175.76 176.28 3kya s ILE 42 N -0.85 2.77 -0.08 0.00 1.01 -1.26 -1.14 121.20 121.65 3kya s ILE 42 Ca 0.01 -0.70 0.18 0.00 0.00 0.00 0.00 60.65 60.13 3kya s ILE 42 Cb -0.08 -2.22 -0.27 0.00 0.01 0.00 0.00 42.46 39.91 3kya s ILE 42 CO 0.01 0.48 0.29 -1.54 0.00 0.00 0.00 174.94 174.18 3kya n SER 43 N 4.63 0.66 -3.62 3.58 3.41 0.21 -4.73 113.62 117.76 3kya n SER 43 Ca -0.19 0.00 -0.03 0.00 -0.26 0.00 0.00 58.87 58.39 3kya n SER 43 Cb 0.51 1.53 -0.01 0.00 -0.26 0.00 0.00 64.21 65.98 3kya n SER 43 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3kya s ASP 44 N -4.53 -0.16 0.07 4.04 2.15 -1.18 -5.02 116.67 112.04 3kya s ASP 44 Ca -0.08 -0.13 -0.20 0.00 0.43 0.00 0.00 52.55 52.57 3kya s ASP 44 Cb 0.10 0.27 0.05 0.00 -0.30 0.00 0.00 42.92 43.03 3kya s ASP 44 CO 0.76 -0.47 0.47 0.72 -0.17 0.00 0.00 175.17 176.49 3kya s PHE 45 N -2.74 -0.35 -0.15 -5.34 -0.12 -1.26 -0.56 117.98 107.47 3kya s PHE 45 Ca 0.11 0.26 -0.12 0.00 -0.05 0.00 0.00 56.93 57.13 3kya s PHE 45 Cb 0.01 0.31 0.04 0.00 -0.63 0.00 0.00 43.02 42.75 3kya s PHE 45 CO -0.04 -0.66 0.39 -0.08 -0.05 0.00 0.00 175.22 174.79 3kya s THR 46 N -2.88 -0.01 0.92 -4.49 -1.32 -0.16 -4.43 115.64 103.27 3kya s THR 46 Ca -0.03 0.03 -0.12 0.00 -1.21 0.00 0.00 61.69 60.36 3kya s THR 46 Cb -0.00 -0.56 0.14 0.00 -1.51 0.00 0.00 72.50 70.57 3kya s THR 46 CO -0.05 0.01 1.10 -2.16 -2.21 0.00 0.00 174.62 171.32 3kya s PRO 47 N 0.58 1.09 0.34 7.08 0.04 -1.26 -1.26 135.00 141.60 3kya s PRO 47 Ca -0.03 0.55 0.23 0.00 0.04 0.00 0.00 61.00 61.79 3kya s PRO 47 Cb -0.05 -1.81 0.35 0.00 0.04 0.00 0.00 34.50 33.03 3kya s PRO 47 CO -0.03 -2.29 1.51 0.87 0.04 0.00 0.00 177.00 177.10 3kya h LYS 48 N -1.57 0.00 -4.09 4.56 1.79 -1.97 -3.46 116.57 111.83 3kya h LYS 48 Ca -0.51 0.00 -0.14 0.00 -2.18 0.00 0.00 60.65 57.82 3kya h LYS 48 Cb 1.31 0.00 -0.17 0.00 -1.58 0.00 0.00 32.23 31.79 3kya h LYS 48 CO 0.58 0.00 -0.66 -1.83 -1.08 0.00 0.00 179.45 176.46 3kya s GLU 49 N -3.22 0.51 0.00 3.15 1.03 -1.26 -1.07 118.70 117.84 3kya s GLU 49 Ca 0.06 -0.95 0.00 0.00 0.03 0.00 0.00 54.97 54.11 3kya s GLU 49 Cb 0.08 0.18 0.00 0.00 -0.80 0.00 0.00 34.13 33.59 3kya s GLU 49 CO 0.68 -0.10 0.00 0.41 -1.33 0.00 0.00 175.26 174.93 3kya n GLY 50 N 0.69 0.31 3.89 -3.83 0.00 -0.74 -4.95 105.19 100.56 3kya n GLY 50 Ca -0.18 -1.12 -0.27 0.00 0.00 0.00 0.00 46.02 44.44 3kya n GLY 50 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3kya s GLY 51 N 0.00 2.45 0.46 -0.02 0.00 -1.26 -0.22 107.32 108.74 3kya s GLY 51 Ca 0.00 -1.12 -0.23 0.00 0.00 0.00 0.00 44.72 43.37 3kya s GLY 51 CO 0.00 -1.98 1.02 0.00 0.00 0.00 0.00 173.10 172.15 3kya n ALA 52 N -1.73 0.29 -0.57 3.20 0.00 -1.26 -2.01 120.51 118.43 3kya n ALA 52 Ca -0.04 0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.59 3kya n ALA 52 Cb 0.65 -2.10 0.00 0.00 0.00 0.00 0.00 19.45 17.99 3kya n ALA 52 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3kya n TYR 53 N -0.73 0.00 -2.04 0.00 4.02 0.37 -4.96 117.16 113.82 3kya n TYR 53 Ca 0.10 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.58 3kya n TYR 53 Cb 0.41 -0.19 -0.02 0.00 -0.02 0.00 0.00 39.34 39.52 3kya n TYR 53 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 176.86 174.71 3kya s GLN 54 N -0.09 4.29 -0.07 -0.72 2.00 -0.85 -4.69 119.66 119.53 3kya s GLN 54 Ca 0.00 2.29 -0.30 0.00 -2.00 0.00 0.00 55.36 55.35 3kya s GLN 54 Cb 0.00 -3.07 -0.02 0.00 0.80 0.00 0.00 33.01 30.72 3kya s GLN 54 CO 0.00 -0.32 1.00 0.21 -0.50 0.00 0.00 175.29 175.69 3kya s LYS 55 N -1.31 4.47 -0.08 1.67 2.20 -1.26 -0.43 119.74 124.99 3kya s LYS 55 Ca 0.53 1.41 0.04 0.00 -0.36 0.00 0.00 55.97 57.59 3kya s LYS 55 Cb -0.41 -3.51 -0.01 0.00 -1.51 0.00 0.00 37.83 32.38 3kya s LYS 55 CO 0.51 -0.23 -0.21 -1.17 -0.36 0.00 0.00 175.35 173.89 3kya s LEU 56 N 1.68 2.30 -0.24 5.43 2.96 0.75 -4.57 118.68 126.99 3kya s LEU 56 Ca 0.50 -0.45 -0.07 0.00 -0.22 0.00 0.00 54.13 53.89 3kya s LEU 56 Cb -0.19 -1.46 -0.03 0.00 0.50 0.00 0.00 46.19 45.01 3kya s LEU 56 CO 0.21 0.22 0.05 -0.22 -1.32 0.00 0.00 176.35 175.29 3kya s LEU 57 N 0.02 3.38 -0.20 -0.68 2.96 -0.39 -1.18 118.68 122.60 3kya s LEU 57 Ca -0.08 -0.22 -0.03 0.00 -0.22 0.00 0.00 54.13 53.58 3kya s LEU 57 Cb -0.15 -1.90 -0.01 0.00 0.50 0.00 0.00 46.19 44.63 3kya s LEU 57 CO 0.05 -0.02 -0.06 -0.63 -1.32 0.00 0.00 176.35 174.37 3kya s ILE 58 N 1.53 3.36 0.07 6.68 1.01 0.64 -0.99 121.20 133.49 3kya s ILE 58 Ca 0.06 -0.51 -0.05 0.00 0.00 0.00 0.00 60.65 60.15 3kya s ILE 58 Cb -0.15 -2.50 -0.05 0.00 0.01 0.00 0.00 42.46 39.77 3kya s ILE 58 CO 0.03 0.45 0.31 -0.31 0.00 0.00 0.00 174.94 175.41 3kya s TYR 59 N 1.17 3.54 -0.68 3.97 2.02 0.28 -0.55 117.35 127.09 3kya s TYR 59 Ca 0.02 0.54 0.00 0.00 -0.37 0.00 0.00 57.07 57.26 3kya s TYR 59 Cb -0.14 -1.97 0.00 0.00 -0.40 0.00 0.00 41.96 39.44 3kya s TYR 59 CO -0.01 0.54 0.00 0.41 -1.57 0.00 0.00 175.55 174.92 3kya n GLY 60 N 0.64 -0.81 3.10 0.71 0.00 -0.23 -0.62 105.19 107.99 3kya n GLY 60 Ca -0.07 -0.27 -0.11 0.00 0.00 0.00 0.00 46.02 45.56 3kya n GLY 60 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kya s GLU 61 N -0.34 0.44 -0.71 1.61 2.02 -0.29 -4.42 118.70 117.01 3kya s GLU 61 Ca 0.00 -0.27 -0.04 0.00 0.02 0.00 0.00 54.97 54.68 3kya s GLU 61 Cb 0.00 0.19 0.00 0.00 0.10 0.00 0.00 34.13 34.42 3kya s GLU 61 CO 0.00 -0.10 0.53 -1.71 0.02 0.00 0.00 175.26 173.99 3kya n ASN 62 N 1.73 -4.12 0.06 -0.19 5.15 -1.11 -2.27 115.26 114.50 3kya n ASN 62 Ca -0.21 -0.24 0.12 0.00 -0.60 0.00 0.00 54.58 53.65 3kya n ASN 62 Cb 0.56 -2.77 0.15 0.00 -0.53 0.00 0.00 39.78 37.19 3kya n ASN 62 CO 0.00 0.00 0.00 -0.26 1.40 0.00 0.00 177.26 178.40 3kya h PHE 63 N -1.20 0.00 -0.74 1.20 0.04 -1.68 -3.44 116.94 111.12 3kya h PHE 63 Ca -0.28 0.00 0.03 0.00 2.80 0.00 0.00 57.97 60.52 3kya h PHE 63 Cb 1.19 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.33 3kya h PHE 63 CO 0.25 0.00 -0.04 0.41 -0.60 0.00 0.00 178.31 178.33 3kya n GLY 64 N 1.33 -1.83 0.02 -1.45 0.00 -1.26 -4.63 105.19 97.37 3kya n GLY 64 Ca 0.03 -1.32 0.03 0.00 0.00 0.00 0.00 46.02 44.76 3kya n GLY 64 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3kya n THR 65 N -0.99 1.24 -4.11 2.61 -2.24 -1.26 -2.24 114.28 107.30 3kya n THR 65 Ca 0.00 -1.35 -0.33 0.00 -2.27 0.00 0.00 64.05 60.11 3kya n THR 65 Cb 0.05 0.30 -0.16 0.00 -2.10 0.00 0.00 70.33 68.42 3kya n THR 65 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3kya s ASP 66 N -1.52 3.11 0.36 3.42 1.01 -1.26 -4.76 116.67 117.03 3kya s ASP 66 Ca 0.09 -0.65 0.09 0.00 0.71 0.00 0.00 52.55 52.79 3kya s ASP 66 Cb 0.08 -1.44 0.82 0.00 1.01 0.00 0.00 42.92 43.38 3kya s ASP 66 CO 0.01 -0.01 1.88 0.58 0.21 0.00 0.00 175.17 177.84 3kya h VAL 67 N 5.98 0.86 0.00 -1.27 2.07 -1.93 -2.06 116.25 119.89 3kya h VAL 67 Ca -0.44 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 66.84 3kya h VAL 67 Cb 1.14 0.11 0.00 0.00 -1.52 0.00 0.00 31.29 31.02 3kya h VAL 67 CO 0.62 0.13 0.00 0.77 0.02 0.00 0.00 177.57 179.11 3kya h SER 68 N 0.69 0.00 -0.57 0.57 4.64 -1.98 -2.21 113.55 114.69 3kya h SER 68 Ca 0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.74 3kya h SER 68 Cb 0.66 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.75 3kya h SER 68 CO -0.18 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.07 3kya n LYS 69 N -3.08 2.68 -4.84 4.77 4.76 -0.78 -4.94 118.16 116.73 3kya n LYS 69 Ca -0.02 -2.42 -0.26 0.00 -2.87 0.00 0.00 58.31 52.74 3kya n LYS 69 Cb 0.13 -1.48 -0.16 0.00 -1.84 0.00 0.00 35.03 31.68 3kya n LYS 69 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3kya s VAL 70 N -1.06 1.45 -0.03 -0.18 1.01 -0.83 -0.90 120.40 119.85 3kya s VAL 70 Ca 0.40 -0.72 0.04 0.00 0.00 0.00 0.00 61.98 61.69 3kya s VAL 70 Cb 0.21 -1.25 -0.00 0.00 0.00 0.00 0.00 36.38 35.34 3kya s VAL 70 CO 0.28 0.42 -0.13 -0.54 0.00 0.00 0.00 175.10 175.13 3kya s LYS 71 N 0.07 1.31 -0.03 2.72 -0.14 -0.58 -4.95 119.74 118.14 3kya s LYS 71 Ca -0.05 -0.46 0.04 0.00 -1.36 0.00 0.00 55.97 54.14 3kya s LYS 71 Cb -0.12 -1.19 -0.00 0.00 -1.68 0.00 0.00 37.83 34.83 3kya s LYS 71 CO 0.02 0.20 -0.15 0.08 -0.76 0.00 0.00 175.35 174.74 3kya s VAL 72 N 0.02 1.28 -0.02 3.17 1.01 -1.26 -1.25 120.40 123.34 3kya s VAL 72 Ca -0.01 -0.65 0.07 0.00 0.00 0.00 0.00 61.98 61.39 3kya s VAL 72 Cb -0.09 -1.09 -0.02 0.00 0.00 0.00 0.00 36.38 35.18 3kya s VAL 72 CO 0.01 0.37 -0.23 -0.54 0.00 0.00 0.00 175.10 174.71 3kya s LYS 73 N -0.03 1.87 -0.09 2.72 1.02 0.10 -0.70 119.74 124.63 3kya s LYS 73 Ca -0.01 -0.81 0.01 0.00 0.02 0.00 0.00 55.97 55.18 3kya s LYS 73 Cb -0.10 -1.79 0.02 0.00 -0.52 0.00 0.00 37.83 35.44 3kya s LYS 73 CO 0.01 0.48 -0.11 0.42 -0.92 0.00 0.00 175.35 175.23 3kya s ILE 74 N -0.50 1.15 -1.63 2.17 1.01 0.07 -0.90 121.20 122.57 3kya s ILE 74 Ca 0.08 -0.43 -0.02 0.00 0.00 0.00 0.00 60.65 60.28 3kya s ILE 74 Cb -0.09 -1.10 0.01 0.00 0.01 0.00 0.00 42.46 41.29 3kya s ILE 74 CO -0.01 0.37 0.27 0.61 0.00 0.00 0.00 174.94 176.18 3kya n GLY 75 N 4.37 -0.51 3.11 6.18 0.00 0.50 -1.32 105.19 117.52 3kya n GLY 75 Ca -0.18 0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.90 3kya n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kya n GLY 76 N -1.22 1.11 3.72 -0.02 0.00 -1.26 -4.45 105.19 103.06 3kya n GLY 76 Ca -0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.49 3kya n GLY 76 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kya s LYS 77 N -0.08 3.52 0.27 1.61 -0.14 -0.43 -5.05 119.74 119.44 3kya s LYS 77 Ca 0.00 -0.31 -0.30 0.00 -1.36 0.00 0.00 55.97 54.00 3kya s LYS 77 Cb 0.00 -3.08 -0.11 0.00 -1.68 0.00 0.00 37.83 32.96 3kya s LYS 77 CO 0.00 0.55 1.59 -0.51 -0.76 0.00 0.00 175.35 176.22 3kya s ASP 78 N -0.40 6.42 -0.03 2.83 1.01 -1.26 -0.75 116.67 124.48 3kya s ASP 78 Ca 0.09 2.89 0.04 0.00 0.71 0.00 0.00 52.55 56.28 3kya s ASP 78 Cb -0.12 -2.63 -0.03 0.00 1.01 0.00 0.00 42.92 41.16 3kya s ASP 78 CO 0.02 -0.89 -0.12 0.00 0.21 0.00 0.00 175.17 174.38 3kya s ALA 79 N 0.21 2.78 -0.03 5.23 0.00 0.13 -4.76 121.76 125.31 3kya s ALA 79 Ca 0.65 -1.01 -0.30 0.00 0.00 0.00 0.00 51.96 51.30 3kya s ALA 79 Cb -0.47 -1.01 -0.05 0.00 0.00 0.00 0.00 23.12 21.59 3kya s ALA 79 CO 0.44 0.57 1.49 0.42 0.00 0.00 0.00 175.76 178.68 3kya s ILE 80 N -0.83 3.69 -0.18 0.00 -1.09 -1.26 -4.46 121.20 117.07 3kya s ILE 80 Ca 0.13 0.98 -0.17 0.00 -2.23 0.00 0.00 60.65 59.36 3kya s ILE 80 Cb -0.11 -3.63 -0.04 0.00 -1.58 0.00 0.00 42.46 37.11 3kya s ILE 80 CO 0.03 -0.04 0.46 -0.69 -1.23 0.00 0.00 174.94 173.47 3kya s VAL 81 N 3.10 5.16 -0.24 2.92 1.01 -1.26 -1.33 120.40 129.77 3kya s VAL 81 Ca 0.66 0.85 -0.15 0.00 0.00 0.00 0.00 61.98 63.35 3kya s VAL 81 Cb -0.31 -3.79 -0.17 0.00 0.00 0.00 0.00 36.38 32.11 3kya s VAL 81 CO 0.26 0.24 -0.06 -0.38 0.00 0.00 0.00 175.10 175.17 3kya n ILE 82 N 4.26 1.55 -3.64 2.22 5.41 0.17 -4.98 119.36 124.35 3kya n ILE 82 Ca -0.07 -0.30 -0.15 0.00 1.00 0.00 0.00 62.75 63.23 3kya n ILE 82 Cb 0.51 -1.88 -0.08 0.00 -0.71 0.00 0.00 39.64 37.48 3kya n ILE 82 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 176.55 176.75 3kya s ASN 83 N -7.12 -0.47 -0.03 4.38 0.01 -1.16 -4.99 114.94 105.57 3kya s ASN 83 Ca -0.33 0.56 -0.00 0.00 -0.71 0.00 0.00 52.86 52.38 3kya s ASN 83 Cb 0.10 0.57 0.03 0.00 0.41 0.00 0.00 41.25 42.36 3kya s ASN 83 CO 0.57 -0.47 0.02 0.68 -1.51 0.00 0.00 177.10 176.39 3kya s VAL 84 N -0.95 0.04 0.31 1.60 -7.23 -1.26 -1.28 120.40 111.62 3kya s VAL 84 Ca -0.10 0.19 0.08 0.00 -1.81 0.00 0.00 61.98 60.34 3kya s VAL 84 Cb -0.03 -0.18 -0.06 0.00 0.56 0.00 0.00 36.38 36.68 3kya s VAL 84 CO 0.06 0.13 -0.08 -0.54 -0.31 0.00 0.00 175.10 174.35 3kya s LYS 85 N 1.21 1.67 0.43 4.82 3.01 -0.30 -4.26 119.74 126.32 3kya s LYS 85 Ca -0.07 -1.85 0.23 0.00 -1.01 0.00 0.00 55.97 53.28 3kya s LYS 85 Cb -0.13 -1.43 1.23 0.00 -1.01 0.00 0.00 37.83 36.50 3kya s LYS 85 CO -0.03 0.10 1.76 0.77 0.51 0.00 0.00 175.35 178.47 3kya h SER 86 N 2.17 0.33 -0.02 2.83 0.02 -1.66 -2.63 113.55 114.60 3kya h SER 86 Ca -0.41 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 60.61 3kya h SER 86 Cb 1.24 0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.80 3kya h SER 86 CO 0.68 0.04 0.00 0.35 -1.14 0.00 0.00 176.83 176.76 3kya n THR 87 N -4.54 0.48 -3.71 -2.27 -2.24 -1.26 -2.10 114.28 98.64 3kya n THR 87 Ca 0.27 -0.74 -0.13 0.00 -2.27 0.00 0.00 64.05 61.17 3kya n THR 87 Cb 1.02 0.78 -0.07 0.00 -2.10 0.00 0.00 70.33 69.95 3kya n THR 87 CO 0.00 0.00 0.00 -0.72 -0.57 0.00 0.00 175.07 173.78 3kya s TYR 88 N -0.55 -0.24 -0.02 4.78 -0.85 -0.99 -1.06 117.35 118.41 3kya s TYR 88 Ca 0.02 0.29 0.02 0.00 -0.52 0.00 0.00 57.07 56.89 3kya s TYR 88 Cb 0.01 0.16 0.01 0.00 0.38 0.00 0.00 41.96 42.52 3kya s TYR 88 CO 0.02 -0.48 -0.07 0.08 -1.52 0.00 0.00 175.55 173.58 3kya s VAL 89 N -1.85 0.60 -0.12 -3.49 1.01 0.28 -1.15 120.40 115.68 3kya s VAL 89 Ca -0.09 -0.25 -0.04 0.00 0.00 0.00 0.00 61.98 61.60 3kya s VAL 89 Cb -0.03 -0.55 -0.04 0.00 0.00 0.00 0.00 36.38 35.77 3kya s VAL 89 CO 0.02 0.20 0.04 -0.31 0.00 0.00 0.00 175.10 175.04 3kya s TYR 90 N 0.30 3.24 0.25 5.22 2.02 -0.41 -0.26 117.35 127.72 3kya s TYR 90 Ca -0.04 0.18 -0.09 0.00 -0.37 0.00 0.00 57.07 56.75 3kya s TYR 90 Cb -0.08 -1.89 -0.01 0.00 -0.40 0.00 0.00 41.96 39.57 3kya s TYR 90 CO 0.00 0.40 0.40 0.00 -1.57 0.00 0.00 175.55 174.78 3kya s PHE 92 N -3.91 3.38 0.02 0.00 0.08 -0.44 -0.17 117.98 116.94 3kya s PHE 92 Ca 0.27 0.30 -0.30 0.00 0.12 0.00 0.00 56.93 57.32 3kya s PHE 92 Cb 0.01 -1.97 -0.07 0.00 -0.57 0.00 0.00 43.02 40.43 3kya s PHE 92 CO 0.11 0.46 1.52 0.08 -0.10 0.00 0.00 175.22 177.29 3kya s VAL 93 N -0.44 3.42 0.51 -0.44 1.01 0.42 -4.02 120.40 120.86 3kya s VAL 93 Ca 0.10 0.82 -0.17 0.00 0.00 0.00 0.00 61.98 62.73 3kya s VAL 93 Cb -0.12 -3.52 -0.08 0.00 0.00 0.00 0.00 36.38 32.66 3kya s VAL 93 CO 0.02 -0.01 0.98 -2.16 0.00 0.00 0.00 175.10 173.93 3kya s PRO 94 N 2.62 3.96 0.34 2.72 0.04 -1.26 -0.48 135.00 142.94 3kya s PRO 94 Ca 0.69 0.95 -0.29 0.00 0.04 0.00 0.00 61.00 62.39 3kya s PRO 94 Cb -0.35 -2.14 -0.11 0.00 0.04 0.00 0.00 34.50 31.93 3kya s PRO 94 CO 0.29 -0.25 1.53 0.43 0.04 0.00 0.00 177.00 179.04 3kya n SER 95 N -1.52 3.81 -0.45 6.66 7.64 -1.26 -3.14 113.62 125.35 3kya n SER 95 Ca 0.06 1.19 -0.05 0.00 1.01 0.00 0.00 58.87 61.09 3kya n SER 95 Cb 0.54 -1.61 -0.01 0.00 -1.01 0.00 0.00 64.21 62.12 3kya n SER 95 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3kya n GLY 96 N 1.16 0.45 2.34 0.23 0.00 -1.26 -4.94 105.19 103.17 3kya n GLY 96 Ca 0.04 -0.77 -0.23 0.00 0.00 0.00 0.00 46.02 45.06 3kya n GLY 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kya n ALA 97 N -0.09 6.46 -0.22 4.61 0.00 -1.19 -4.78 120.51 125.30 3kya n ALA 97 Ca -0.05 -2.71 0.02 0.00 0.00 0.00 0.00 53.44 50.70 3kya n ALA 97 Cb 0.35 -2.23 0.12 0.00 0.00 0.00 0.00 19.45 17.69 3kya n ALA 97 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 3kya h PHE 98 N 3.07 0.05 0.00 0.00 0.04 -1.87 -1.93 116.94 116.29 3kya h PHE 98 Ca 0.34 0.04 -0.06 0.00 2.80 0.00 0.00 57.97 61.10 3kya h PHE 98 Cb 0.95 0.08 -0.01 0.00 2.20 0.00 0.00 35.95 39.17 3kya h PHE 98 CO 1.57 -0.14 -0.28 0.66 -0.60 0.00 0.00 178.31 179.52 3kya h SER 99 N 0.16 0.00 0.00 2.17 4.64 -1.86 -3.41 113.55 115.24 3kya h SER 99 Ca 0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.67 3kya h SER 99 Cb 0.57 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.66 3kya h SER 99 CO -0.52 0.28 0.00 0.61 -0.87 0.00 0.00 176.83 176.33 3kya n GLY 100 N 0.17 0.45 3.71 -0.77 0.00 -0.73 -4.64 105.19 103.38 3kya n GLY 100 Ca -0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3kya n GLY 100 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3kya s GLU 101 N -0.56 4.27 -0.26 1.61 2.12 -1.26 -0.19 118.70 124.42 3kya s GLU 101 Ca 0.00 2.16 -0.08 0.00 0.36 0.00 0.00 54.97 57.41 3kya s GLU 101 Cb 0.00 -3.36 -0.03 0.00 0.26 0.00 0.00 34.13 31.00 3kya s GLU 101 CO 0.00 -0.56 0.10 0.42 -0.54 0.00 0.00 175.26 174.68 3kya s ILE 102 N 1.65 4.50 -0.05 -3.70 1.01 -1.26 -0.37 121.20 122.97 3kya s ILE 102 Ca 0.67 -0.16 0.04 0.00 0.00 0.00 0.00 60.65 61.20 3kya s ILE 102 Cb -0.38 -3.14 0.00 0.00 0.01 0.00 0.00 42.46 38.95 3kya s ILE 102 CO 0.30 0.28 -0.17 -0.70 0.00 0.00 0.00 174.94 174.66 3kya s GLU 103 N 1.63 1.87 -0.01 2.79 2.12 -0.08 -0.77 118.70 126.25 3kya s GLU 103 Ca 0.06 -0.59 0.04 0.00 0.36 0.00 0.00 54.97 54.84 3kya s GLU 103 Cb -0.16 -1.58 -0.01 0.00 0.26 0.00 0.00 34.13 32.65 3kya s GLU 103 CO 0.05 0.19 -0.12 -1.50 -0.54 0.00 0.00 175.26 173.34 3kya s ILE 104 N 0.21 0.97 -0.11 -3.70 2.07 -0.60 -0.72 121.20 119.32 3kya s ILE 104 Ca -0.08 -0.52 0.01 0.00 -1.41 0.00 0.00 60.65 58.66 3kya s ILE 104 Cb -0.13 -0.82 0.02 0.00 0.13 0.00 0.00 42.46 41.66 3kya s ILE 104 CO 0.03 0.28 -0.13 -0.89 -1.91 0.00 0.00 174.94 172.32 3kya s THR 105 N -0.21 1.35 -0.10 4.00 2.01 -0.38 -1.46 115.64 120.85 3kya s THR 105 Ca 0.03 -0.53 0.01 0.00 0.31 0.00 0.00 61.69 61.51 3kya s THR 105 Cb -0.06 -1.27 -0.02 0.00 0.01 0.00 0.00 72.50 71.16 3kya s THR 105 CO -0.00 0.42 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.53 3kya s VAL 106 N 1.23 3.18 0.00 3.82 1.01 0.02 -1.53 120.40 128.13 3kya s VAL 106 Ca -0.02 -0.64 0.00 0.00 0.00 0.00 0.00 61.98 61.32 3kya s VAL 106 Cb -0.14 -2.31 0.00 0.00 0.00 0.00 0.00 36.38 33.93 3kya s VAL 106 CO -0.05 0.55 0.00 0.61 0.00 0.00 0.00 175.10 176.21 3kya n GLY 107 N 3.05 -0.37 3.07 4.51 0.00 -0.08 -0.57 105.19 114.79 3kya n GLY 107 Ca -0.18 -1.80 -0.11 0.00 0.00 0.00 0.00 46.02 43.94 3kya n GLY 107 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kya s GLU 108 N -1.42 0.56 5.98 1.61 2.02 -1.26 -4.47 118.70 121.71 3kya s GLU 108 Ca 0.00 -0.90 0.00 0.00 0.02 0.00 0.00 54.97 54.09 3kya s GLU 108 Cb 0.00 -0.14 0.00 0.00 0.10 0.00 0.00 34.13 34.09 3kya s GLU 108 CO 0.00 -0.00 0.00 0.41 0.02 0.00 0.00 175.26 175.69 3kya n GLY 109 N 1.02 3.26 0.30 -1.39 0.00 -1.26 -1.95 105.19 105.16 3kya n GLY 109 Ca -0.20 -0.12 0.13 0.00 0.00 0.00 0.00 46.02 45.84 3kya n GLY 109 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3kya h GLU 110 N 0.00 0.00 -0.22 1.61 4.11 -2.03 -1.97 114.58 116.09 3kya h GLU 110 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 3kya h GLU 110 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3kya h GLU 110 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 179.01 179.17 3kya n ASN 111 N -4.14 1.88 -4.72 3.06 3.02 -0.82 -4.94 115.26 108.60 3kya n ASN 111 Ca -0.01 -1.78 -0.42 0.00 -0.03 0.00 0.00 54.58 52.34 3kya n ASN 111 Cb 0.16 -0.14 -0.03 0.00 -0.61 0.00 0.00 39.78 39.16 3kya n ASN 111 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3kya s ALA 112 N -1.72 3.32 -0.06 5.41 0.00 -0.74 -4.30 121.76 123.67 3kya s ALA 112 Ca 0.32 0.75 0.02 0.00 0.00 0.00 0.00 51.96 53.05 3kya s ALA 112 Cb 0.17 -3.38 0.01 0.00 0.00 0.00 0.00 23.12 19.92 3kya s ALA 112 CO 0.25 -0.29 -0.12 0.08 0.00 0.00 0.00 175.76 175.68 3kya s VAL 113 N 0.56 1.14 0.04 0.00 1.01 0.26 -4.95 120.40 118.47 3kya s VAL 113 Ca 0.53 -0.49 0.08 0.00 0.00 0.00 0.00 61.98 62.10 3kya s VAL 113 Cb -0.27 -1.03 -0.03 0.00 0.00 0.00 0.00 36.38 35.05 3kya s VAL 113 CO 0.31 0.35 -0.24 -0.89 0.00 0.00 0.00 175.10 174.63 3kya s THR 114 N 0.58 1.92 0.06 3.92 2.01 -1.26 -0.80 115.64 122.06 3kya s THR 114 Ca -0.13 -1.27 -0.03 0.00 0.31 0.00 0.00 61.69 60.57 3kya s THR 114 Cb -0.15 -1.64 -0.03 0.00 0.01 0.00 0.00 72.50 70.69 3kya s THR 114 CO 0.03 0.32 0.03 0.28 -0.69 0.00 0.00 174.62 174.60 3kya s THR 115 N -0.77 0.19 -0.05 -0.82 -1.32 -0.53 -4.83 115.64 107.50 3kya s THR 115 Ca 0.10 -1.59 0.03 0.00 -1.21 0.00 0.00 61.69 59.02 3kya s THR 115 Cb -0.09 -1.41 0.00 0.00 -1.51 0.00 0.00 72.50 69.49 3kya s THR 115 CO 0.02 -0.88 -0.15 -0.89 -2.21 0.00 0.00 174.62 170.51 3kya s THR 116 N -3.77 1.30 0.45 5.08 2.01 -1.26 -1.56 115.64 117.88 3kya s THR 116 Ca 0.05 -0.62 -0.25 0.00 0.31 0.00 0.00 61.69 61.19 3kya s THR 116 Cb 0.06 -1.14 -0.08 0.00 0.01 0.00 0.00 72.50 71.35 3kya s THR 116 CO -0.10 0.38 1.37 0.00 -0.69 0.00 0.00 174.62 175.59 3kya s ALA 117 N 0.28 3.19 0.26 7.40 0.00 0.05 -4.91 121.76 128.02 3kya s ALA 117 Ca -0.08 1.36 0.12 0.00 0.00 0.00 0.00 51.96 53.36 3kya s ALA 117 Cb -0.13 -3.55 0.46 0.00 0.00 0.00 0.00 23.12 19.90 3kya s ALA 117 CO 0.03 -1.08 1.66 0.66 0.00 0.00 0.00 175.76 177.02 3kya h SER 118 N 2.32 0.00 -3.09 0.00 4.64 -1.91 -3.44 113.55 112.07 3kya h SER 118 Ca -0.50 0.00 -0.62 0.00 -0.47 0.00 0.00 61.79 60.19 3kya h SER 118 Cb 1.26 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 63.25 3kya h SER 118 CO 0.61 0.54 -0.62 -0.89 -0.87 0.00 0.00 176.83 175.60 3kya s THR 119 N -3.67 4.21 0.05 2.95 2.01 -1.26 -5.13 115.64 114.80 3kya s THR 119 Ca -0.01 -1.02 -0.05 0.00 0.31 0.00 0.00 61.69 60.92 3kya s THR 119 Cb 0.12 -3.06 -0.05 0.00 0.01 0.00 0.00 72.50 69.52 3kya s THR 119 CO 0.74 0.03 0.29 0.42 -0.69 0.00 0.00 174.62 175.41 3kya s THR 120 N -1.49 5.28 0.33 -0.82 -4.23 -1.26 -4.67 115.64 108.78 3kya s THR 120 Ca 0.28 0.07 -0.28 0.00 -1.18 0.00 0.00 61.69 60.59 3kya s THR 120 Cb -0.11 -3.59 -0.09 0.00 1.34 0.00 0.00 72.50 70.04 3kya s THR 120 CO 0.20 0.26 1.16 0.12 -0.54 0.00 0.00 174.62 175.83 3kya s PHE 121 N -1.41 3.30 -0.65 3.99 5.36 0.74 -4.97 117.98 124.34 3kya s PHE 121 Ca 0.32 1.59 -0.20 0.00 -0.96 0.00 0.00 56.93 57.68 3kya s PHE 121 Cb -0.13 -3.40 0.10 0.00 -0.34 0.00 0.00 43.02 39.25 3kya s PHE 121 CO 0.20 -1.07 0.81 0.45 -1.46 0.00 0.00 175.22 174.15 3kya s SER 122 N -0.90 6.23 -0.11 6.13 0.15 -0.24 -4.03 113.70 120.94 3kya s SER 122 Ca 0.50 -1.40 -0.30 0.00 0.70 0.00 0.00 55.95 55.45 3kya s SER 122 Cb -0.33 -2.34 -0.02 0.00 -1.71 0.00 0.00 66.02 61.62 3kya s SER 122 CO 0.42 -1.19 1.25 -0.47 1.20 0.00 0.00 173.24 174.45 3kya s TYR 123 N 3.00 2.99 -0.33 3.44 5.04 -1.26 -1.79 117.35 128.44 3kya s TYR 123 Ca 0.16 1.08 -0.17 0.00 -2.44 0.00 0.00 57.07 55.71 3kya s TYR 123 Cb -0.20 -3.48 -0.01 0.00 0.35 0.00 0.00 41.96 38.62 3kya s TYR 123 CO 0.06 -1.59 0.44 -1.21 -1.34 0.00 0.00 175.55 171.91 3kya s GLU 124 N 2.87 3.68 0.50 4.97 2.02 0.70 -4.93 118.70 128.51 3kya s GLU 124 Ca 0.56 -0.19 -0.21 0.00 0.02 0.00 0.00 54.97 55.14 3kya s GLU 124 Cb -0.24 -3.78 -0.07 0.00 0.10 0.00 0.00 34.13 30.15 3kya s GLU 124 CO 0.19 -0.54 1.14 0.15 0.02 0.00 0.00 175.26 176.22 3kya s LYS 125 N 2.22 3.59 0.00 1.61 1.02 -1.26 -4.34 119.74 122.58 3kya s LYS 125 Ca 0.16 1.67 0.00 0.00 0.02 0.00 0.00 55.97 57.82 3kya s LYS 125 Cb -0.16 -2.21 0.00 0.00 -0.52 0.00 0.00 37.83 34.94 3kya s LYS 125 CO 0.12 -0.67 0.00 1.63 -0.92 0.00 0.00 175.35 175.51 3kya n LYS 126 N -0.87 0.00 0.00 1.68 5.02 -1.26 -4.97 118.16 117.77 3kya n LYS 126 Ca 0.09 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.38 3kya n LYS 126 Cb 0.50 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.51 3kya n LYS 126 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 3kya n VAL 128 N 0.00 0.00 -3.13 -0.18 0.24 0.50 -1.61 118.33 114.15 3kya n VAL 128 Ca 0.00 0.00 -0.39 0.00 -2.04 0.00 0.00 64.34 61.91 3kya n VAL 128 Cb 0.00 0.00 -0.06 0.00 -1.47 0.00 0.00 33.84 32.31 3kya n VAL 128 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 3kya s VAL 129 N -2.00 4.61 0.35 3.34 1.01 -0.30 -1.79 120.40 125.63 3kya s VAL 129 Ca 0.00 1.44 0.04 0.00 0.00 0.00 0.00 61.98 63.46 3kya s VAL 129 Cb 0.00 -4.01 -0.03 0.00 0.00 0.00 0.00 36.38 32.33 3kya s VAL 129 CO 0.00 0.51 0.15 -0.83 0.00 0.00 0.00 175.10 174.93 3kya s GLY 130 N -0.94 2.32 -0.19 4.51 0.00 0.38 -1.05 107.32 112.35 3kya s GLY 130 Ca 0.33 -1.59 0.01 0.00 0.00 0.00 0.00 44.72 43.47 3kya s GLY 130 CO 0.22 -1.70 -0.13 -1.59 0.00 0.00 0.00 173.10 169.90 3kya s THR 131 N -3.39 1.78 -0.11 0.90 2.01 -1.26 -1.16 115.64 114.40 3kya s THR 131 Ca 0.31 -0.99 -0.17 0.00 0.31 0.00 0.00 61.69 61.15 3kya s THR 131 Cb 0.04 -1.77 -0.15 0.00 0.01 0.00 0.00 72.50 70.63 3kya s THR 131 CO 0.17 0.28 0.49 0.25 -0.69 0.00 0.00 174.62 175.12 3kya h LEU 132 N 7.96 -0.02 -7.69 4.42 5.85 -1.17 -3.48 115.31 121.19 3kya h LEU 132 Ca -0.33 -0.55 0.04 0.00 0.84 0.00 0.00 57.88 57.89 3kya h LEU 132 Cb 1.11 0.01 -0.07 0.00 0.37 0.00 0.00 40.66 42.07 3kya h LEU 132 CO 0.52 0.74 0.23 0.00 -0.34 0.00 0.00 178.44 179.59 3kya n GLY 134 N -0.43 0.18 3.60 0.00 0.00 -1.24 -1.52 105.19 105.77 3kya n GLY 134 Ca -0.08 -1.69 -0.08 0.00 0.00 0.00 0.00 46.02 44.17 3kya n GLY 134 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3kya s TYR 135 N -2.98 -0.32 -0.15 1.61 1.13 -1.21 -4.84 117.35 110.58 3kya s TYR 135 Ca 0.00 0.07 -0.04 0.00 -1.41 0.00 0.00 57.07 55.70 3kya s TYR 135 Cb 0.00 0.60 0.05 0.00 -1.10 0.00 0.00 41.96 41.51 3kya s TYR 135 CO 0.00 -0.81 0.06 0.50 -2.51 0.00 0.00 175.55 172.79 3kya s ARG 136 N -3.47 0.26 0.99 -3.49 3.52 -1.26 -4.75 118.95 110.75 3kya s ARG 136 Ca 0.07 -0.10 -0.16 0.00 -0.13 0.00 0.00 55.73 55.40 3kya s ARG 136 Cb -0.02 -1.67 0.21 0.00 -1.56 0.00 0.00 34.95 31.91 3kya s ARG 136 CO -0.05 -0.59 1.29 0.54 -0.81 0.00 0.00 175.30 175.69 3kya s ASN 137 N 2.05 2.90 0.51 -2.12 2.20 -1.26 -4.89 114.94 114.33 3kya s ASN 137 Ca 0.02 0.34 0.24 0.00 -0.94 0.00 0.00 52.86 52.52 3kya s ASN 137 Cb -0.15 -0.44 1.38 0.00 -2.00 0.00 0.00 41.25 40.04 3kya s ASN 137 CO -0.08 -2.87 2.09 -0.55 -2.94 0.00 0.00 177.10 172.75 3kya h ASN 138 N -1.74 0.00 0.20 3.54 -1.07 -2.04 -1.66 115.58 112.82 3kya h ASN 138 Ca -0.45 0.00 0.00 0.00 0.07 0.00 0.00 56.30 55.92 3kya h ASN 138 Cb 1.25 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.50 3kya h ASN 138 CO 0.39 0.11 -0.41 0.54 0.07 0.00 0.00 177.43 178.14 3kya n ARG 139 N -3.91 0.73 -3.95 4.14 1.74 -1.26 -4.96 116.66 109.19 3kya n ARG 139 Ca -0.02 -0.50 -0.30 0.00 -0.77 0.00 0.00 57.85 56.26 3kya n ARG 139 Cb 0.21 -1.49 0.01 0.00 -1.02 0.00 0.00 32.46 30.17 3kya n ARG 139 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3kya n ASP 140 N -0.70 -3.86 -0.35 0.55 2.03 -0.62 -4.89 116.55 108.70 3kya n ASP 140 Ca 0.10 -0.84 0.06 0.00 0.52 0.00 0.00 54.79 54.63 3kya n ASP 140 Cb 0.37 -3.64 0.13 0.00 -0.72 0.00 0.00 41.12 37.26 3kya n ASP 140 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 3kya n ASP 141 N -2.83 2.70 0.25 1.67 5.68 -1.26 -4.68 116.55 118.08 3kya n ASP 141 Ca -0.01 -2.55 0.11 0.00 -0.50 0.00 0.00 54.79 51.84 3kya n ASP 141 Cb 0.55 -0.29 0.65 0.00 -1.14 0.00 0.00 41.12 40.88 3kya n ASP 141 CO 0.00 0.00 0.00 0.06 -1.33 0.00 0.00 177.20 175.93 3kya h GLN 142 N 0.80 0.00 0.00 0.11 -0.00 -1.92 -3.48 115.11 110.62 3kya h GLN 142 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 3kya h GLN 142 Cb 0.90 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.38 3kya h GLN 142 CO 0.05 0.15 0.00 0.41 -0.00 0.00 0.00 178.83 179.44 3kya n GLY 143 N -0.66 1.49 3.31 0.06 0.00 -1.26 -4.74 105.19 103.38 3kya n GLY 143 Ca -0.02 -0.64 -0.32 0.00 0.00 0.00 0.00 46.02 45.04 3kya n GLY 143 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3kya s TRP 144 N 0.00 2.45 -0.24 1.61 0.52 -1.26 -2.75 118.94 119.27 3kya s TRP 144 Ca 0.00 -0.58 -0.12 0.00 0.02 0.00 0.00 56.10 55.42 3kya s TRP 144 Cb 0.00 -1.58 0.08 0.00 -1.15 0.00 0.00 33.47 30.82 3kya s TRP 144 CO 0.00 -0.12 0.58 0.50 0.02 0.00 0.00 176.95 177.93 3kya s ARG 145 N -0.33 0.57 0.50 4.98 3.52 -0.11 -4.94 118.95 123.14 3kya s ARG 145 Ca 0.02 1.12 -0.10 0.00 -0.13 0.00 0.00 55.73 56.63 3kya s ARG 145 Cb -0.12 0.21 -0.05 0.00 -1.56 0.00 0.00 34.95 33.42 3kya s ARG 145 CO 0.02 -0.17 0.88 -0.51 -0.81 0.00 0.00 175.30 174.72 3kya s ASP 146 N 1.82 6.40 0.00 -2.12 1.01 -1.26 -1.62 116.67 120.90 3kya s ASP 146 Ca -0.09 1.24 0.00 0.00 0.71 0.00 0.00 52.55 54.42 3kya s ASP 146 Cb -0.07 -2.38 0.00 0.00 1.01 0.00 0.00 42.92 41.48 3kya s ASP 146 CO -0.17 -0.60 0.00 0.61 0.21 0.00 0.00 175.17 175.21 3kya n GLY 147 N -1.97 0.91 3.76 0.21 0.00 -0.65 -4.72 105.19 102.72 3kya n GLY 147 Ca 0.04 -1.85 -0.37 0.00 0.00 0.00 0.00 46.02 43.84 3kya n GLY 147 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3kya s PRO 148 N -2.00 3.29 0.30 1.61 0.04 -1.26 -0.64 135.00 136.34 3kya s PRO 148 Ca 0.00 1.87 0.00 0.00 0.04 0.00 0.00 61.00 62.91 3kya s PRO 148 Cb 0.00 -2.15 0.46 0.00 0.04 0.00 0.00 34.50 32.85 3kya s PRO 148 CO 0.00 -0.96 1.86 0.74 0.04 0.00 0.00 177.00 178.68 3kya h PHE 149 N 1.40 0.80 -2.10 0.56 0.04 -1.57 0.86 116.94 116.93 3kya h PHE 149 Ca -0.50 -0.06 -0.54 0.00 2.80 0.00 0.00 57.97 59.67 3kya h PHE 149 Cb 1.28 -0.24 -0.07 0.00 2.20 0.00 0.00 35.95 39.12 3kya h PHE 149 CO 0.49 0.66 -0.58 -0.51 -0.60 0.00 0.00 178.31 177.77 3kya s ASP 150 N -6.59 4.88 0.00 2.17 1.01 -1.26 -4.49 116.67 112.39 3kya s ASP 150 Ca -0.09 -0.56 0.00 0.00 0.71 0.00 0.00 52.55 52.60 3kya s ASP 150 Cb 0.16 -0.97 0.00 0.00 1.01 0.00 0.00 42.92 43.12 3kya s ASP 150 CO 0.79 -0.10 0.00 0.61 0.21 0.00 0.00 175.17 176.68 3kya n GLY 151 N -1.06 0.98 3.81 0.21 0.00 -1.26 -4.43 105.19 103.44 3kya n GLY 151 Ca -0.06 -2.05 -0.32 0.00 0.00 0.00 0.00 46.02 43.59 3kya n GLY 151 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3kya s PRO 152 N -1.03 3.34 0.32 1.61 0.04 -1.26 -4.48 135.00 133.53 3kya s PRO 152 Ca 0.00 1.12 -0.29 0.00 0.04 0.00 0.00 61.00 61.87 3kya s PRO 152 Cb 0.00 -2.04 -0.12 0.00 0.04 0.00 0.00 34.50 32.38 3kya s PRO 152 CO 0.00 -0.79 1.46 0.39 0.04 0.00 0.00 177.00 178.10 3kya n GLU 153 N -2.17 2.43 0.00 4.56 1.02 -1.26 -0.88 120.64 124.34 3kya n GLU 153 Ca 0.08 0.86 0.00 0.00 -0.02 0.00 0.00 57.16 58.08 3kya n GLU 153 Cb 0.53 -2.55 0.00 0.00 -0.02 0.00 0.00 31.44 29.40 3kya n GLU 153 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3kya n GLY 154 N 1.34 3.05 0.83 0.62 0.00 -1.26 -4.81 105.19 104.95 3kya n GLY 154 Ca 0.06 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.03 3kya n GLY 154 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3kya n VAL 155 N -1.11 0.63 -1.71 1.61 0.31 -0.06 -5.05 118.33 112.95 3kya n VAL 155 Ca 0.00 0.06 -0.38 0.00 -0.01 0.00 0.00 64.34 64.00 3kya n VAL 155 Cb 0.00 -1.63 0.04 0.00 -0.91 0.00 0.00 33.84 31.34 3kya n VAL 155 CO 0.00 0.00 0.00 2.29 -1.32 0.00 0.00 176.83 177.80 3kya n LYS 156 N -3.40 1.48 -1.70 5.55 2.85 -0.66 -4.40 118.16 117.88 3kya n LYS 156 Ca -0.09 0.55 -0.33 0.00 -1.05 0.00 0.00 58.31 57.39 3kya n LYS 156 Cb 0.43 -2.46 0.05 0.00 -0.65 0.00 0.00 35.03 32.40 3kya n LYS 156 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3kya n GLY 159 N -0.42 0.17 2.40 0.00 0.00 -1.11 -0.93 105.19 105.30 3kya n GLY 159 Ca -0.08 -0.22 -0.09 0.00 0.00 0.00 0.00 46.02 45.63 3kya n GLY 159 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3kya n PHE 160 N 0.00 -1.51 0.25 1.61 3.72 -1.26 -4.75 117.46 115.52 3kya n PHE 160 Ca 0.00 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.51 3kya n PHE 160 Cb 0.00 -2.24 -0.05 0.00 -0.94 0.00 0.00 39.48 36.24 3kya n PHE 160 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 3kya n SER 161 N -1.60 0.50 -4.90 4.37 3.41 -1.26 -4.44 113.62 109.69 3kya n SER 161 Ca -0.10 0.00 -0.28 0.00 -0.26 0.00 0.00 58.87 58.23 3kya n SER 161 Cb 0.56 1.09 -0.02 0.00 -0.26 0.00 0.00 64.21 65.58 3kya n SER 161 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 3kya s ASP 162 N -4.54 6.40 0.10 4.04 1.01 -1.26 -4.73 116.67 117.68 3kya s ASP 162 Ca -0.01 0.84 -0.33 0.00 0.71 0.00 0.00 52.55 53.76 3kya s ASP 162 Cb 0.13 -2.20 -0.12 0.00 1.01 0.00 0.00 42.92 41.73 3kya s ASP 162 CO 0.84 -0.36 1.72 -3.20 0.21 0.00 0.00 175.17 174.38 3kya n ASN 163 N -1.49 3.47 -4.37 0.27 2.85 -1.26 -4.80 115.26 109.92 3kya n ASN 163 Ca -0.00 1.03 -0.18 0.00 -0.11 0.00 0.00 54.58 55.31 3kya n ASN 163 Cb 0.55 -1.45 -0.10 0.00 1.24 0.00 0.00 39.78 40.01 3kya n ASN 163 CO 0.00 0.00 0.00 -0.83 -2.11 0.00 0.00 177.26 174.32 3kya s GLY 164 N 2.11 1.83 0.05 8.20 0.00 -1.26 -0.84 107.32 117.42 3kya s GLY 164 Ca 0.83 -1.92 0.04 0.00 0.00 0.00 0.00 44.72 43.66 3kya s GLY 164 CO 0.41 -1.68 -0.11 0.50 0.00 0.00 0.00 173.10 172.21 3kya s ARG 165 N -3.96 0.67 0.09 2.90 1.81 -0.47 -3.02 118.95 116.97 3kya s ARG 165 Ca 0.36 -0.80 0.06 0.00 -1.72 0.00 0.00 55.73 53.64 3kya s ARG 165 Cb 0.08 -0.57 -0.04 0.00 -0.45 0.00 0.00 34.95 33.97 3kya s ARG 165 CO 0.14 0.12 -0.10 -0.51 -0.68 0.00 0.00 175.30 174.27 3kya s LEU 166 N -1.50 3.05 -0.26 2.53 1.43 -1.26 -1.81 118.68 120.86 3kya s LEU 166 Ca -0.05 -0.35 -0.14 0.00 -1.03 0.00 0.00 54.13 52.56 3kya s LEU 166 Cb -0.09 -1.83 0.08 0.00 0.03 0.00 0.00 46.19 44.38 3kya s LEU 166 CO 0.01 0.20 0.64 0.00 0.23 0.00 0.00 176.35 177.43 3kya s ALA 167 N -1.18 -1.76 0.44 4.21 0.00 -0.34 -4.84 121.76 118.30 3kya s ALA 167 Ca 0.21 2.27 -0.21 0.00 0.00 0.00 0.00 51.96 54.22 3kya s ALA 167 Cb -0.11 -1.39 -0.10 0.00 0.00 0.00 0.00 23.12 21.52 3kya s ALA 167 CO 0.13 -0.43 1.00 -0.06 0.00 0.00 0.00 175.76 176.39 3kya s PHE 168 N 1.76 3.19 -0.15 0.00 0.08 -1.26 -0.62 117.98 120.99 3kya s PHE 168 Ca -0.09 1.61 -0.29 0.00 0.12 0.00 0.00 56.93 58.27 3kya s PHE 168 Cb -0.06 -2.97 -0.03 0.00 -0.57 0.00 0.00 43.02 39.38 3kya s PHE 168 CO -0.19 -0.45 1.55 0.34 -0.10 0.00 0.00 175.22 176.38 3kya s ASP 169 N -2.00 6.61 0.64 1.36 -1.08 -0.49 -4.88 116.67 116.83 3kya s ASP 169 Ca 0.63 1.87 0.36 0.00 -0.52 0.00 0.00 52.55 54.89 3kya s ASP 169 Cb -0.14 -2.53 1.99 0.00 -1.46 0.00 0.00 42.92 40.77 3kya s ASP 169 CO 0.18 -1.02 2.19 -0.65 0.52 0.00 0.00 175.17 176.39 3kya h PRO 170 N 9.72 0.00 -0.01 4.34 0.11 -1.94 -0.58 132.00 143.64 3kya h PRO 170 Ca -0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.77 3kya h PRO 170 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3kya h PRO 170 CO 0.98 0.00 -0.43 1.28 -0.21 0.00 0.00 178.00 179.62 3kya n LEU 171 N -3.32 0.97 -3.16 2.35 4.77 -1.26 -4.76 117.00 112.59 3kya n LEU 171 Ca -0.02 -0.26 0.03 0.00 -0.03 0.00 0.00 56.01 55.74 3kya n LEU 171 Cb 0.21 -0.14 -0.00 0.00 -2.33 0.00 0.00 43.42 41.16 3kya n LEU 171 CO 0.21 0.20 0.10 0.21 -1.33 0.00 0.00 177.39 176.78 3kya s ASN 172 N -2.70 -1.60 0.00 -1.43 2.47 -0.23 -5.02 114.94 106.43 3kya s ASN 172 Ca 0.18 -0.06 0.20 0.00 0.42 0.00 0.00 52.86 53.60 3kya s ASN 172 Cb 0.18 2.01 1.17 0.00 -1.45 0.00 0.00 41.25 43.16 3kya s ASN 172 CO 0.61 -0.26 1.57 0.29 -3.72 0.00 0.00 177.10 175.59 3kya n LYS 173 N 5.16 0.60 0.22 0.43 5.02 -1.23 -1.33 118.16 127.02 3kya n LYS 173 Ca 0.07 0.01 0.14 0.00 -2.02 0.00 0.00 58.31 56.51 3kya n LYS 173 Cb 0.55 -1.50 0.46 0.00 -0.02 0.00 0.00 35.03 34.52 3kya n LYS 173 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 3kya h ASP 174 N 0.00 0.00 -3.41 4.39 3.32 -1.95 -3.42 116.42 115.36 3kya h ASP 174 Ca 0.00 0.00 -0.73 0.00 0.02 0.00 0.00 57.03 56.32 3kya h ASP 174 Cb 0.01 0.00 -0.24 0.00 0.22 0.00 0.00 39.33 39.32 3kya h ASP 174 CO 0.00 0.00 -0.41 -1.00 -1.72 0.00 0.00 179.24 176.11 3kya s HIS 175 N -3.41 3.27 -0.31 4.55 3.76 -0.45 -0.55 115.29 122.15 3kya s HIS 175 Ca 0.04 -1.08 -0.07 0.00 -0.15 0.00 0.00 55.06 53.80 3kya s HIS 175 Cb 0.08 -2.95 0.02 0.00 1.11 0.00 0.00 32.58 30.84 3kya s HIS 175 CO 0.57 -0.77 0.10 -1.17 -0.85 0.00 0.00 174.74 172.62 3kya s LEU 176 N 1.57 4.03 0.17 0.89 2.96 -0.63 -1.40 118.68 126.27 3kya s LEU 176 Ca 0.03 -0.84 -0.08 0.00 -0.22 0.00 0.00 54.13 53.02 3kya s LEU 176 Cb -0.23 -1.89 -0.06 0.00 0.50 0.00 0.00 46.19 44.51 3kya s LEU 176 CO 0.06 -0.24 0.47 -0.31 -1.32 0.00 0.00 176.35 175.00 3kya s TYR 177 N 1.48 3.48 -0.04 5.38 2.02 0.21 0.11 117.35 129.98 3kya s TYR 177 Ca 0.01 0.77 0.01 0.00 -0.37 0.00 0.00 57.07 57.49 3kya s TYR 177 Cb -0.18 -2.17 0.02 0.00 -0.40 0.00 0.00 41.96 39.24 3kya s TYR 177 CO 0.03 0.38 -0.05 -1.50 -1.57 0.00 0.00 175.55 172.84 3kya s ILE 178 N -1.67 0.55 0.17 2.71 2.07 -0.59 -1.20 121.20 123.24 3kya s ILE 178 Ca 0.42 -0.13 0.09 0.00 -1.41 0.00 0.00 60.65 59.62 3kya s ILE 178 Cb -0.12 -0.57 -0.04 0.00 0.13 0.00 0.00 42.46 41.86 3kya s ILE 178 CO 0.22 0.23 -0.14 0.00 -1.91 0.00 0.00 174.94 173.34 3kya s TYR 180 N -1.56 0.95 -0.92 0.00 2.02 -1.25 -1.37 117.35 115.22 3kya s TYR 180 Ca 0.23 -0.21 -0.20 0.00 -0.37 0.00 0.00 57.07 56.52 3kya s TYR 180 Cb -0.09 -0.60 0.11 0.00 -0.40 0.00 0.00 41.96 40.98 3kya s TYR 180 CO 0.13 -0.01 1.17 0.34 -1.57 0.00 0.00 175.55 175.61 3kya s ASP 181 N -0.42 6.57 0.00 2.29 -1.08 -0.02 -1.77 116.67 122.25 3kya s ASP 181 Ca 0.03 -1.87 0.00 0.00 -0.52 0.00 0.00 52.55 50.20 3kya s ASP 181 Cb -0.05 -2.43 0.00 0.00 -1.46 0.00 0.00 42.92 38.98 3kya s ASP 181 CO -0.00 -1.17 0.00 0.61 0.52 0.00 0.00 175.17 175.13 3kya n GLY 182 N 5.71 0.48 2.81 2.66 0.00 0.95 -4.17 105.19 113.63 3kya n GLY 182 Ca 0.23 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.01 3kya n GLY 182 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3kya s HIS 183 N -1.48 0.90 0.34 1.61 5.65 -1.13 -4.97 115.29 116.22 3kya s HIS 183 Ca 0.00 -0.33 0.10 0.00 0.25 0.00 0.00 55.06 55.09 3kya s HIS 183 Cb 0.00 -0.92 0.59 0.00 -1.18 0.00 0.00 32.58 31.07 3kya s HIS 183 CO 0.00 -0.38 1.76 -0.22 -0.65 0.00 0.00 174.74 175.26 3kya h LYS 184 N 8.27 0.08 -6.73 2.88 3.64 -1.86 -3.39 116.57 119.46 3kya h LYS 184 Ca -0.23 -0.04 -0.49 0.00 -1.27 0.00 0.00 60.65 58.62 3kya h LYS 184 Cb 1.13 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.92 3kya h LYS 184 CO 0.30 0.48 0.33 0.00 -2.27 0.00 0.00 179.45 178.29 3kya s ALA 185 N -4.13 3.35 -0.24 5.00 0.00 -1.26 -4.77 121.76 119.71 3kya s ALA 185 Ca -0.03 0.59 -0.18 0.00 0.00 0.00 0.00 51.96 52.34 3kya s ALA 185 Cb 0.14 -3.18 -0.03 0.00 0.00 0.00 0.00 23.12 20.05 3kya s ALA 185 CO 0.74 0.22 0.51 0.42 0.00 0.00 0.00 175.76 177.65 3kya s ILE 186 N -1.19 5.09 0.21 0.00 1.01 -0.32 -4.61 121.20 121.38 3kya s ILE 186 Ca 0.41 0.88 0.00 0.00 0.00 0.00 0.00 60.65 61.94 3kya s ILE 186 Cb -0.25 -3.82 -0.04 0.00 0.01 0.00 0.00 42.46 38.35 3kya s ILE 186 CO 0.31 0.12 0.39 -1.10 0.00 0.00 0.00 174.94 174.66 3kya s GLN 187 N 2.05 3.50 -0.23 2.79 -0.21 -0.65 -3.27 119.66 123.63 3kya s GLN 187 Ca 0.22 -0.42 -0.04 0.00 0.02 0.00 0.00 55.36 55.14 3kya s GLN 187 Cb -0.15 -2.85 -0.01 0.00 1.00 0.00 0.00 33.01 31.00 3kya s GLN 187 CO 0.09 0.40 -0.02 -1.17 -2.12 0.00 0.00 175.29 172.47 3kya s LEU 188 N -3.46 3.07 -0.55 2.90 2.96 -0.23 -1.54 118.68 121.83 3kya s LEU 188 Ca 0.38 -0.43 -0.18 0.00 -0.22 0.00 0.00 54.13 53.67 3kya s LEU 188 Cb -0.11 -1.77 0.10 0.00 0.50 0.00 0.00 46.19 44.91 3kya s LEU 188 CO 0.30 -0.05 0.60 -0.63 -1.32 0.00 0.00 176.35 175.25 3kya s ILE 189 N 1.49 4.97 -0.55 6.68 1.01 0.12 -1.54 121.20 133.38 3kya s ILE 189 Ca 0.05 -1.01 -0.20 0.00 0.00 0.00 0.00 60.65 59.49 3kya s ILE 189 Cb -0.15 -4.37 0.07 0.00 0.01 0.00 0.00 42.46 38.02 3kya s ILE 189 CO -0.02 -0.93 0.69 -0.62 0.00 0.00 0.00 174.94 174.06 3kya s ASP 190 N 3.29 6.22 0.51 3.58 -1.08 -1.26 -1.60 116.67 126.32 3kya s ASP 190 Ca 0.09 -1.03 0.30 0.00 -0.52 0.00 0.00 52.55 51.39 3kya s ASP 190 Cb -0.24 -2.31 1.20 0.00 -1.46 0.00 0.00 42.92 40.10 3kya s ASP 190 CO 0.07 -1.02 1.93 -0.07 0.52 0.00 0.00 175.17 176.59 3kya h LEU 191 N 9.99 0.00 0.02 -1.34 3.38 -1.18 0.39 115.31 126.56 3kya h LEU 191 Ca -0.28 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.69 3kya h LEU 191 Cb 1.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.84 3kya h LEU 191 CO 1.03 0.09 -0.01 0.50 0.09 0.00 0.00 178.44 180.14 3kya h LYS 192 N 0.00 -0.02 -0.00 1.13 3.64 -1.92 -3.35 116.57 116.06 3kya h LYS 192 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3kya h LYS 192 Cb 0.59 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.42 3kya h LYS 192 CO 0.01 0.72 -0.30 0.09 -2.27 0.00 0.00 179.45 177.70 3kya n ASN 193 N -4.69 0.42 -2.83 4.20 3.02 -1.23 -5.23 115.26 108.93 3kya n ASN 193 Ca -0.08 -0.16 -0.02 0.00 -0.03 0.00 0.00 54.58 54.29 3kya n ASN 193 Cb 0.36 0.01 0.00 0.00 -0.61 0.00 0.00 39.78 39.54 3kya n ASN 193 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3kya n ARG 194 N -1.35 -2.83 -3.72 3.52 1.74 0.12 -4.91 116.66 109.22 3kya n ARG 194 Ca 0.08 2.37 -0.12 0.00 -0.77 0.00 0.00 57.85 59.41 3kya n ARG 194 Cb 0.33 -4.59 -0.12 0.00 -1.02 0.00 0.00 32.46 27.05 3kya n ARG 194 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 3kya s LEU 196 N -1.63 0.32 0.23 0.55 2.96 0.19 -1.35 118.68 119.97 3kya s LEU 196 Ca 0.03 0.63 0.00 0.00 -0.22 0.00 0.00 54.13 54.57 3kya s LEU 196 Cb -0.01 0.92 -0.05 0.00 0.50 0.00 0.00 46.19 47.55 3kya s LEU 196 CO 0.65 -0.17 0.11 -0.94 -1.32 0.00 0.00 176.35 174.68 3kya s SER 197 N 1.20 0.77 -0.56 3.68 1.04 -0.59 -1.64 113.70 117.60 3kya s SER 197 Ca -0.09 -1.39 0.06 0.00 0.48 0.00 0.00 55.95 55.02 3kya s SER 197 Cb -0.09 0.25 0.24 0.00 0.10 0.00 0.00 66.02 66.52 3kya s SER 197 CO -0.09 -0.77 0.64 -1.20 0.98 0.00 0.00 173.24 172.80 3kya n SER 198 N -0.39 2.40 0.20 7.02 7.64 -1.26 -1.07 113.62 128.16 3kya n SER 198 Ca 0.01 -3.15 0.09 0.00 1.01 0.00 0.00 58.87 56.83 3kya n SER 198 Cb 0.66 -0.66 0.33 0.00 -1.01 0.00 0.00 64.21 63.53 3kya n SER 198 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 3kya h PRO 199 N 4.26 0.00 -4.31 1.43 0.13 -1.89 -3.41 132.00 128.21 3kya h PRO 199 Ca 0.16 0.00 -0.70 0.00 -0.87 0.00 0.00 66.00 64.59 3kya h PRO 199 Cb 0.75 0.00 -0.34 0.00 0.13 0.00 0.00 31.00 31.54 3kya h PRO 199 CO 0.69 0.26 -0.49 -0.51 -0.23 0.00 0.00 178.00 177.72 3kya s LEU 200 N -6.61 5.34 0.00 1.56 1.43 -1.20 -2.47 118.68 116.71 3kya s LEU 200 Ca 0.02 -2.14 0.27 0.00 -1.03 0.00 0.00 54.13 51.24 3kya s LEU 200 Cb 0.09 -1.86 0.79 0.00 0.03 0.00 0.00 46.19 45.24 3kya s LEU 200 CO 0.66 -0.54 1.59 0.59 0.23 0.00 0.00 176.35 178.88 3kya n ASN 201 N 4.47 1.09 -3.55 2.29 3.02 -1.26 -1.18 115.26 120.15 3kya n ASN 201 Ca -0.01 -0.97 -0.18 0.00 -0.03 0.00 0.00 54.58 53.38 3kya n ASN 201 Cb 0.41 0.12 -0.05 0.00 -0.61 0.00 0.00 39.78 39.64 3kya n ASN 201 CO 0.00 0.00 0.00 2.30 -2.62 0.00 0.00 177.26 176.94 3kya n ILE 202 N -0.53 -0.62 -0.04 2.41 -5.35 -1.26 -4.73 119.36 109.23 3kya n ILE 202 Ca 0.13 -0.28 0.20 0.00 -0.27 0.00 0.00 62.75 62.53 3kya n ILE 202 Cb 0.35 -0.61 0.67 0.00 -1.74 0.00 0.00 39.64 38.31 3kya n ILE 202 CO 0.00 0.00 0.00 0.78 -1.76 0.00 0.00 176.55 175.57 3kya h ASN 203 N -0.53 0.05 1.27 7.28 2.35 -1.96 -0.99 115.58 123.05 3kya h ASN 203 Ca -0.37 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.38 3kya h ASN 203 Cb 0.78 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 39.15 3kya h ASN 203 CO 0.39 0.03 -0.01 0.35 -1.65 0.00 0.00 177.43 176.53 3kya n THR 204 N -4.38 0.35 -2.33 2.81 -2.24 -1.26 -4.80 114.28 102.43 3kya n THR 204 Ca 0.11 -0.17 -0.41 0.00 -2.27 0.00 0.00 64.05 61.31 3kya n THR 204 Cb 0.63 -0.54 -0.03 0.00 -2.10 0.00 0.00 70.33 68.29 3kya n THR 204 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3kya s ILE 205 N -3.06 3.54 -1.89 2.28 1.01 -0.38 -4.93 121.20 117.78 3kya s ILE 205 Ca 0.12 1.23 0.02 0.00 0.00 0.00 0.00 60.65 62.03 3kya s ILE 205 Cb 0.15 -3.79 0.07 0.00 0.01 0.00 0.00 42.46 38.90 3kya s ILE 205 CO 0.57 0.17 1.01 -0.81 0.00 0.00 0.00 174.94 175.88 3kya n PRO 206 N 2.92 1.21 -3.66 2.79 -0.04 -1.26 -4.87 135.00 132.08 3kya n PRO 206 Ca 0.06 -0.30 -0.10 0.00 -0.04 0.00 0.00 63.50 63.13 3kya n PRO 206 Cb 0.44 -1.12 -0.03 0.00 -0.04 0.00 0.00 33.50 32.75 3kya n PRO 206 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 3kya s THR 207 N -1.82 0.02 -2.30 0.52 -1.32 -1.26 -5.03 115.64 104.45 3kya s THR 207 Ca 0.05 -0.60 0.23 0.00 -1.21 0.00 0.00 61.69 60.17 3kya s THR 207 Cb 0.03 -1.44 0.50 0.00 -1.51 0.00 0.00 72.50 70.08 3kya s THR 207 CO 0.03 -0.10 1.45 -0.46 -2.21 0.00 0.00 174.62 173.34 3kya n ASN 208 N -0.35 3.66 -4.47 8.08 0.23 -1.26 -4.77 115.26 116.38 3kya n ASN 208 Ca -0.12 -2.00 -0.44 0.00 -0.53 0.00 0.00 54.58 51.50 3kya n ASN 208 Cb 0.63 -0.34 0.00 0.00 -2.08 0.00 0.00 39.78 37.99 3kya n ASN 208 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 3kya n ARG 209 N 1.56 3.36 -3.34 -3.83 1.74 -1.26 -0.04 116.66 114.86 3kya n ARG 209 Ca 0.21 -3.81 -0.38 0.00 -0.77 0.00 0.00 57.85 53.10 3kya n ARG 209 Cb 0.62 -3.07 -0.07 0.00 -1.02 0.00 0.00 32.46 28.92 3kya n ARG 209 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3kya s ILE 210 N 1.71 5.18 -0.11 0.55 -1.09 -0.73 -1.14 121.20 125.57 3kya s ILE 210 Ca 0.44 0.84 0.11 0.00 -2.23 0.00 0.00 60.65 59.81 3kya s ILE 210 Cb -0.02 -3.78 -0.15 0.00 -1.58 0.00 0.00 42.46 36.93 3kya s ILE 210 CO 0.01 0.27 0.07 0.54 -1.23 0.00 0.00 174.94 174.59 3kya n ARG 211 N 4.20 1.90 -3.50 2.79 5.12 0.60 -2.64 116.66 125.13 3kya n ARG 211 Ca -0.07 -0.02 -0.11 0.00 -1.93 0.00 0.00 57.85 55.72 3kya n ARG 211 Cb 0.51 -1.30 -0.03 0.00 -1.16 0.00 0.00 32.46 30.48 3kya n ARG 211 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 3kya s SER 212 N -4.34 -0.47 -0.07 0.55 1.04 -1.17 -4.80 113.70 104.44 3kya s SER 212 Ca -0.06 0.18 0.03 0.00 0.48 0.00 0.00 55.95 56.58 3kya s SER 212 Cb 0.04 0.46 0.01 0.00 0.10 0.00 0.00 66.02 66.63 3kya s SER 212 CO 0.49 -0.67 -0.15 -0.63 0.98 0.00 0.00 173.24 173.26 3kya s ILE 213 N -2.65 1.36 0.24 -1.02 1.01 -1.26 -1.88 121.20 117.00 3kya s ILE 213 Ca 0.00 -0.61 0.01 0.00 0.00 0.00 0.00 60.65 60.06 3kya s ILE 213 Cb -0.01 -1.22 -0.04 0.00 0.01 0.00 0.00 42.46 41.20 3kya s ILE 213 CO -0.05 0.40 0.15 0.00 0.00 0.00 0.00 174.94 175.44 3kya s ALA 214 N 0.60 1.45 0.02 9.38 0.00 0.01 -4.87 121.76 128.35 3kya s ALA 214 Ca -0.15 -1.79 0.02 0.00 0.00 0.00 0.00 51.96 50.04 3kya s ALA 214 Cb -0.16 1.33 -0.01 0.00 0.00 0.00 0.00 23.12 24.27 3kya s ALA 214 CO 0.05 -0.57 -0.07 -0.06 0.00 0.00 0.00 175.76 175.10 3kya s PHE 215 N -3.93 0.65 0.56 0.00 0.40 -1.26 0.06 117.98 114.46 3kya s PHE 215 Ca 0.39 -0.28 -0.19 0.00 -0.60 0.00 0.00 56.93 56.25 3kya s PHE 215 Cb 0.06 -0.40 -0.05 0.00 0.51 0.00 0.00 43.02 43.14 3kya s PHE 215 CO 0.15 -0.03 1.11 0.54 0.70 0.00 0.00 175.22 177.69 3kya s ASN 216 N -0.81 5.73 0.45 1.36 4.22 -0.99 -4.83 114.94 120.07 3kya s ASN 216 Ca -0.03 2.09 -0.08 0.00 -2.14 0.00 0.00 52.86 52.70 3kya s ASN 216 Cb -0.06 -2.57 -0.05 0.00 1.28 0.00 0.00 41.25 39.85 3kya s ASN 216 CO 0.00 -1.21 0.79 -0.54 -2.04 0.00 0.00 177.10 174.10 3kya s LYS 217 N -3.45 3.64 0.26 3.55 -0.14 -1.26 -1.28 119.74 121.06 3kya s LYS 217 Ca 0.70 0.34 -0.30 0.00 -1.36 0.00 0.00 55.97 55.35 3kya s LYS 217 Cb -0.22 -2.37 -0.14 0.00 -1.68 0.00 0.00 37.83 33.42 3kya s LYS 217 CO 0.29 -0.15 1.13 1.17 -0.76 0.00 0.00 175.35 177.03 3kya n LYS 218 N -1.86 1.48 -4.00 1.68 4.81 -1.26 -4.73 118.16 114.28 3kya n LYS 218 Ca 0.02 0.52 -0.31 0.00 -0.87 0.00 0.00 58.31 57.67 3kya n LYS 218 Cb 0.55 -1.98 -0.15 0.00 0.02 0.00 0.00 35.03 33.46 3kya n LYS 218 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 3kya s ILE 219 N -0.72 1.93 0.12 3.15 1.01 0.79 -4.94 121.20 122.55 3kya s ILE 219 Ca 0.63 -1.67 -0.35 0.00 0.00 0.00 0.00 60.65 59.26 3kya s ILE 219 Cb -0.72 -2.20 -0.15 0.00 0.01 0.00 0.00 42.46 39.40 3kya s ILE 219 CO 0.57 -0.22 1.46 -0.62 0.00 0.00 0.00 174.94 176.13 3kya n GLU 220 N 4.48 1.64 -0.19 2.79 1.02 -1.26 -1.21 120.64 127.91 3kya n GLU 220 Ca -0.09 0.59 0.00 0.00 -0.02 0.00 0.00 57.16 57.65 3kya n GLU 220 Cb 0.43 -2.30 0.00 0.00 -0.02 0.00 0.00 31.44 29.55 3kya n GLU 220 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3kya n GLY 221 N 2.96 2.28 0.00 0.62 0.00 -1.26 -4.78 105.19 105.01 3kya n GLY 221 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 3kya n GLY 221 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3kya n TYR 222 N -2.00 0.00 -3.66 1.61 4.01 -0.35 -5.10 117.16 111.67 3kya n TYR 222 Ca 0.00 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.64 3kya n TYR 222 Cb 0.00 0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 38.95 3kya n TYR 222 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3kya s ALA 223 N -1.21 -1.56 0.74 -0.72 0.00 -0.43 -4.99 121.76 113.60 3kya s ALA 223 Ca 0.00 2.00 -0.11 0.00 0.00 0.00 0.00 51.96 53.85 3kya s ALA 223 Cb 0.00 -1.18 0.04 0.00 0.00 0.00 0.00 23.12 21.97 3kya s ALA 223 CO 0.00 -0.33 1.08 -0.51 0.00 0.00 0.00 175.76 176.00 3kya s ASP 224 N 1.24 5.00 -0.01 0.00 1.01 -1.26 -0.15 116.67 122.50 3kya s ASP 224 Ca -0.07 1.42 -0.35 0.00 0.71 0.00 0.00 52.55 54.25 3kya s ASP 224 Cb -0.06 -2.23 -0.14 0.00 1.01 0.00 0.00 42.92 41.51 3kya s ASP 224 CO -0.13 -1.66 1.69 1.21 0.21 0.00 0.00 175.17 176.50 3kya n GLU 225 N -3.25 1.90 -2.69 8.23 4.07 -1.26 -2.08 120.64 125.56 3kya n GLU 225 Ca 0.07 0.69 -0.17 0.00 -0.06 0.00 0.00 57.16 57.69 3kya n GLU 225 Cb 0.55 -2.46 0.00 0.00 -0.06 0.00 0.00 31.44 29.47 3kya n GLU 225 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3kya n ALA 226 N 4.86 -0.83 0.24 4.31 0.00 -0.41 -4.85 120.51 123.83 3kya n ALA 226 Ca 0.21 0.14 0.13 0.00 0.00 0.00 0.00 53.44 53.92 3kya n ALA 226 Cb 0.26 -2.24 0.46 0.00 0.00 0.00 0.00 19.45 17.93 3kya n ALA 226 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3kya h GLU 227 N -0.39 0.00 0.00 0.00 4.81 -1.67 -3.46 114.58 113.86 3kya h GLU 227 Ca -0.39 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.84 3kya h GLU 227 Cb 1.28 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.66 3kya h GLU 227 CO 0.46 0.09 0.00 0.66 -0.73 0.00 0.00 179.01 179.49 3kya n TYR 228 N -3.18 0.00 -3.36 0.92 4.02 -1.26 -0.73 117.16 113.57 3kya n TYR 228 Ca 0.01 0.00 0.02 0.00 -0.01 0.00 0.00 57.90 57.92 3kya n TYR 228 Cb 0.42 0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 39.70 3kya n TYR 228 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 3kya s ILE 230 N 0.44 -0.48 -0.17 -0.72 1.01 0.11 -2.35 121.20 119.04 3kya s ILE 230 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 60.65 60.66 3kya s ILE 230 Cb 0.00 -1.00 0.01 0.00 0.01 0.00 0.00 42.46 41.48 3kya s ILE 230 CO 0.00 0.00 -0.19 -0.69 0.00 0.00 0.00 174.94 174.06 3kya s VAL 231 N 2.50 2.27 -0.05 2.92 1.01 -0.09 -0.81 120.40 128.16 3kya s VAL 231 Ca -0.01 -0.89 -0.13 0.00 0.00 0.00 0.00 61.98 60.95 3kya s VAL 231 Cb -0.07 -1.95 -0.05 0.00 0.00 0.00 0.00 36.38 34.31 3kya s VAL 231 CO -0.17 0.53 0.34 0.00 0.00 0.00 0.00 175.10 175.80 3kya s ALA 232 N 1.08 3.72 0.15 5.51 0.00 -0.79 -0.82 121.76 130.60 3kya s ALA 232 Ca -0.00 -0.33 0.06 0.00 0.00 0.00 0.00 51.96 51.68 3kya s ALA 232 Cb -0.14 -2.31 -0.04 0.00 0.00 0.00 0.00 23.12 20.62 3kya s ALA 232 CO -0.07 0.45 -0.13 0.96 0.00 0.00 0.00 175.76 176.97 3kya s ILE 233 N -0.82 1.38 -0.42 0.00 -4.36 -0.09 -0.29 121.20 116.59 3kya s ILE 233 Ca 0.21 -1.94 -0.04 0.00 -0.26 0.00 0.00 60.65 58.62 3kya s ILE 233 Cb -0.15 -1.75 0.11 0.00 1.25 0.00 0.00 42.46 41.92 3kya s ILE 233 CO 0.10 -0.56 0.24 -0.62 0.24 0.00 0.00 174.94 174.34 3kya s ASP 234 N -2.87 5.36 -0.03 4.36 -1.08 -0.29 -3.82 116.67 118.30 3kya s ASP 234 Ca 0.14 -2.01 -0.11 0.00 -0.52 0.00 0.00 52.55 50.05 3kya s ASP 234 Cb -0.02 -1.87 0.02 0.00 -1.46 0.00 0.00 42.92 39.59 3kya s ASP 234 CO 0.03 -0.58 0.25 -0.47 0.52 0.00 0.00 175.17 174.92 3kya s TYR 235 N 1.19 -0.13 0.00 -5.34 5.04 -1.26 -4.71 117.35 112.14 3kya s TYR 235 Ca 0.08 0.23 0.07 0.00 -2.44 0.00 0.00 57.07 55.01 3kya s TYR 235 Cb -0.24 0.05 0.12 0.00 0.35 0.00 0.00 41.96 42.25 3kya s TYR 235 CO -0.03 -0.31 0.96 -0.40 -1.34 0.00 0.00 175.55 174.43 3kya n ASP 236 N 1.68 0.15 0.09 4.32 5.68 -1.26 -0.91 116.55 126.30 3kya n ASP 236 Ca -0.20 -1.81 0.10 0.00 -0.50 0.00 0.00 54.79 52.38 3kya n ASP 236 Cb 0.56 -0.13 0.44 0.00 -1.14 0.00 0.00 41.12 40.85 3kya n ASP 236 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3kya n GLY 237 N 0.14 -1.20 1.57 6.12 0.00 -1.26 -2.41 105.19 108.15 3kya n GLY 237 Ca -0.02 0.04 -0.12 0.00 0.00 0.00 0.00 46.02 45.92 3kya n GLY 237 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3kya n LYS 238 N -2.01 2.77 0.00 1.61 5.02 -1.26 -5.07 118.16 119.22 3kya n LYS 238 Ca 0.03 -3.80 0.00 0.00 -2.02 0.00 0.00 58.31 52.51 3kya n LYS 238 Cb 0.21 -1.98 0.00 0.00 -0.02 0.00 0.00 35.03 33.25 3kya n LYS 238 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kya n GLY 239 N -0.81 3.26 1.11 0.72 0.00 -1.01 -1.97 105.19 106.48 3kya n GLY 239 Ca 0.33 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.27 3kya n GLY 239 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3kya n ASP 240 N 3.59 2.87 -0.59 1.61 5.75 -1.26 -3.18 116.55 125.34 3kya n ASP 240 Ca 0.00 -2.40 0.05 0.00 -0.01 0.00 0.00 54.79 52.44 3kya n ASP 240 Cb 0.00 -0.58 0.10 0.00 -1.03 0.00 0.00 41.12 39.61 3kya n ASP 240 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3kya n GLU 241 N 0.17 0.81 -2.86 0.11 1.02 -0.83 -4.60 120.64 114.46 3kya n GLU 241 Ca 0.13 -2.30 -0.40 0.00 -0.02 0.00 0.00 57.16 54.57 3kya n GLU 241 Cb 0.67 -1.00 -0.05 0.00 -0.02 0.00 0.00 31.44 31.04 3kya n GLU 241 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 3kya s SER 242 N -2.37 7.36 0.31 1.62 0.01 -0.36 -4.77 113.70 115.50 3kya s SER 242 Ca 0.27 1.63 -0.27 0.00 1.31 0.00 0.00 55.95 58.88 3kya s SER 242 Cb 0.26 -2.53 -0.14 0.00 0.21 0.00 0.00 66.02 63.83 3kya s SER 242 CO -0.04 -0.00 0.97 -2.65 0.41 0.00 0.00 173.24 171.92 3kya n PRO 243 N 2.67 1.26 0.00 12.44 -0.02 -1.26 -0.94 135.00 149.14 3kya n PRO 243 Ca -0.01 0.44 0.00 0.00 -2.02 0.00 0.00 63.50 61.92 3kya n PRO 243 Cb 0.50 -1.81 0.00 0.00 -0.02 0.00 0.00 33.50 32.16 3kya n PRO 243 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 3kya n SER 244 N 1.18 1.02 -3.89 2.55 7.64 0.04 -4.41 113.62 117.75 3kya n SER 244 Ca 0.10 0.00 -0.17 0.00 1.01 0.00 0.00 58.87 59.80 3kya n SER 244 Cb 0.33 0.00 -0.16 0.00 -1.01 0.00 0.00 64.21 63.37 3kya n SER 244 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3kya s VAL 245 N -1.95 0.37 0.26 0.44 1.01 -0.56 -0.92 120.40 119.05 3kya s VAL 245 Ca 0.00 -0.08 0.10 0.00 0.00 0.00 0.00 61.98 62.00 3kya s VAL 245 Cb 0.00 -0.39 -0.04 0.00 0.00 0.00 0.00 36.38 35.95 3kya s VAL 245 CO 0.00 0.16 -0.05 -0.31 0.00 0.00 0.00 175.10 174.90 3kya s TYR 246 N 0.61 2.60 -0.08 5.22 1.51 -0.00 -1.23 117.35 125.98 3kya s TYR 246 Ca -0.07 -0.24 0.02 0.00 -1.01 0.00 0.00 57.07 55.77 3kya s TYR 246 Cb -0.10 -1.16 0.01 0.00 -0.11 0.00 0.00 41.96 40.60 3kya s TYR 246 CO -0.01 0.63 -0.14 -1.50 -1.11 0.00 0.00 175.55 173.43 3kya s ILE 247 N -2.32 1.33 -0.17 2.71 2.07 0.11 -0.91 121.20 124.02 3kya s ILE 247 Ca 0.31 -0.58 0.01 0.00 -1.41 0.00 0.00 60.65 58.97 3kya s ILE 247 Cb -0.06 -1.20 0.01 0.00 0.13 0.00 0.00 42.46 41.34 3kya s ILE 247 CO 0.18 0.40 -0.18 -0.63 -1.91 0.00 0.00 174.94 172.81 3kya s ILE 248 N 0.69 2.33 -0.03 2.00 1.01 -1.26 -1.29 121.20 124.65 3kya s ILE 248 Ca -0.14 -0.86 -0.22 0.00 0.00 0.00 0.00 60.65 59.43 3kya s ILE 248 Cb -0.16 -1.98 -0.05 0.00 0.01 0.00 0.00 42.46 40.28 3kya s ILE 248 CO 0.04 0.52 0.64 -0.75 0.00 0.00 0.00 174.94 175.39 3kya s LYS 249 N 1.14 4.39 0.33 2.79 2.20 -0.30 -4.34 119.74 125.95 3kya s LYS 249 Ca 0.01 0.80 -0.29 0.00 -0.36 0.00 0.00 55.97 56.13 3kya s LYS 249 Cb -0.14 -3.39 -0.11 0.00 -1.51 0.00 0.00 37.83 32.68 3kya s LYS 249 CO -0.07 0.23 1.56 0.50 -0.36 0.00 0.00 175.35 177.21 3kya s ARG 250 N 0.25 4.10 0.83 4.03 3.52 0.09 -4.07 118.95 127.71 3kya s ARG 250 Ca 0.34 2.60 -0.11 0.00 -0.13 0.00 0.00 55.73 58.43 3kya s ARG 250 Cb -0.18 -2.99 0.09 0.00 -1.56 0.00 0.00 34.95 30.31 3kya s ARG 250 CO 0.18 -0.61 1.09 -0.80 -0.81 0.00 0.00 175.30 174.35 3kya s ASN 251 N 0.23 4.06 0.50 -2.12 0.01 0.19 -4.91 114.94 112.90 3kya s ASN 251 Ca 0.59 1.51 0.19 0.00 -0.71 0.00 0.00 52.86 54.44 3kya s ASN 251 Cb -0.48 -2.22 1.26 0.00 0.41 0.00 0.00 41.25 40.21 3kya s ASN 251 CO 0.55 -2.27 2.05 0.00 -1.51 0.00 0.00 177.10 175.92 3kya h ALA 252 N -1.30 2.19 -0.21 0.60 0.00 -1.94 -0.56 119.26 118.04 3kya h ALA 252 Ca -0.47 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3kya h ALA 252 Cb 1.26 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.05 3kya h ALA 252 CO 0.55 -0.28 0.00 -0.40 0.00 0.00 0.00 179.25 179.13 3kya n ASP 253 N -4.46 1.31 0.00 0.00 5.68 -1.26 -4.91 116.55 112.91 3kya n ASP 253 Ca 0.05 -1.89 0.00 0.00 -0.50 0.00 0.00 54.79 52.45 3kya n ASP 253 Cb 0.35 -0.14 0.00 0.00 -1.14 0.00 0.00 41.12 40.19 3kya n ASP 253 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3kya n GLY 254 N 0.94 1.02 3.92 6.12 0.00 -0.22 -5.06 105.19 111.92 3kya n GLY 254 Ca 0.11 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.87 3kya n GLY 254 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3kya s THR 255 N -2.59 4.24 -0.27 2.61 -4.23 -1.26 -4.74 115.64 109.42 3kya s THR 255 Ca 0.00 -0.08 0.01 0.00 -1.18 0.00 0.00 61.69 60.44 3kya s THR 255 Cb 0.00 -3.62 0.05 0.00 1.34 0.00 0.00 72.50 70.27 3kya s THR 255 CO 0.00 -0.57 -0.08 -0.36 -0.54 0.00 0.00 174.62 173.07 3kya s PHE 256 N -2.76 3.22 0.00 3.99 0.08 -1.26 -0.64 117.98 120.61 3kya s PHE 256 Ca 0.50 -2.09 0.00 0.00 0.12 0.00 0.00 56.93 55.46 3kya s PHE 256 Cb -0.10 -1.99 0.00 0.00 -0.57 0.00 0.00 43.02 40.36 3kya s PHE 256 CO 0.43 -0.84 0.00 -0.40 -0.10 0.00 0.00 175.22 174.31 3kya n ASP 257 N 4.52 0.00 0.00 1.36 5.68 -1.26 -4.56 116.55 122.29 3kya n ASP 257 Ca -0.14 -0.26 0.08 0.00 -0.50 0.00 0.00 54.79 53.96 3kya n ASP 257 Cb 0.43 0.00 0.40 0.00 -1.14 0.00 0.00 41.12 40.81 3kya n ASP 257 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 3kya n ASP 258 N -0.49 0.00 0.07 -1.12 8.00 -1.03 -1.28 116.55 120.70 3kya n ASP 258 Ca 0.00 0.03 0.12 0.00 0.71 0.00 0.00 54.79 55.65 3kya n ASP 258 Cb 0.00 -0.27 0.17 0.00 -0.02 0.00 0.00 41.12 41.00 3kya n ASP 258 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 3kya h ARG 259 N 0.00 0.00 -6.76 -1.24 3.08 -1.96 -3.47 114.38 104.03 3kya h ARG 259 Ca 0.00 0.00 -0.52 0.00 0.07 0.00 0.00 59.98 59.53 3kya h ARG 259 Cb 0.14 0.00 0.05 0.00 0.08 0.00 0.00 29.97 30.24 3kya h ARG 259 CO 0.00 0.00 0.68 -1.12 -1.07 0.00 0.00 179.97 178.46 3kya s SER 260 N -4.44 6.79 0.23 7.04 0.01 -0.41 -4.98 113.70 117.93 3kya s SER 260 Ca 0.06 2.57 -0.30 0.00 1.31 0.00 0.00 55.95 59.59 3kya s SER 260 Cb 0.13 -2.63 -0.10 0.00 0.21 0.00 0.00 66.02 63.63 3kya s SER 260 CO 0.72 -0.58 1.44 -0.62 0.41 0.00 0.00 173.24 174.61 3kya s ASP 261 N 0.08 6.67 -0.06 2.44 2.15 -1.26 -4.84 116.67 121.85 3kya s ASP 261 Ca 0.55 2.63 0.02 0.00 0.43 0.00 0.00 52.55 56.19 3kya s ASP 261 Cb -0.39 -2.62 0.01 0.00 -0.30 0.00 0.00 42.92 39.62 3kya s ASP 261 CO 0.44 -0.70 -0.12 -0.51 -0.17 0.00 0.00 175.17 174.12 3kya s ILE 262 N 0.15 1.07 0.02 4.11 2.07 -1.26 -1.15 121.20 126.22 3kya s ILE 262 Ca 0.60 -0.45 0.03 0.00 -1.41 0.00 0.00 60.65 59.42 3kya s ILE 262 Cb -0.41 -0.98 -0.02 0.00 0.13 0.00 0.00 42.46 41.18 3kya s ILE 262 CO 0.41 0.34 -0.10 -1.10 -1.91 0.00 0.00 174.94 172.58 3kya s GLN 263 N 0.59 0.70 -0.30 3.50 -1.52 -0.41 -4.98 119.66 117.24 3kya s GLN 263 Ca -0.12 -0.57 -0.26 0.00 -1.95 0.00 0.00 55.36 52.45 3kya s GLN 263 Cb -0.15 -0.64 0.01 0.00 -0.22 0.00 0.00 33.01 32.01 3kya s GLN 263 CO 0.03 0.16 0.91 -1.17 -0.25 0.00 0.00 175.29 174.97 3kya s LEU 264 N -0.89 4.04 -0.14 2.90 0.20 -1.26 -0.71 118.68 122.81 3kya s LEU 264 Ca -0.01 0.89 0.17 0.00 0.69 0.00 0.00 54.13 55.87 3kya s LEU 264 Cb -0.06 -3.28 -0.24 0.00 -0.43 0.00 0.00 46.19 42.17 3kya s LEU 264 CO 0.00 -0.70 0.15 2.30 -0.29 0.00 0.00 176.35 177.81 3kya n ILE 265 N 5.60 0.95 -3.80 6.68 -5.35 -0.37 -4.75 119.36 118.33 3kya n ILE 265 Ca 0.07 -0.69 -0.13 0.00 -0.27 0.00 0.00 62.75 61.73 3kya n ILE 265 Cb 0.47 -0.39 -0.13 0.00 -1.74 0.00 0.00 39.64 37.86 3kya n ILE 265 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3kya s ALA 266 N -2.65 -0.37 -0.10 -1.28 0.00 -1.01 -4.48 121.76 111.86 3kya s ALA 266 Ca -0.09 0.52 -0.03 0.00 0.00 0.00 0.00 51.96 52.36 3kya s ALA 266 Cb 0.07 -0.32 0.04 0.00 0.00 0.00 0.00 23.12 22.92 3kya s ALA 266 CO 0.76 -0.10 0.08 0.00 0.00 0.00 0.00 175.76 176.50 3kya s ALA 267 N 0.36 0.31 0.00 0.00 0.00 0.65 -0.78 121.76 122.30 3kya s ALA 267 Ca -0.02 -0.03 0.00 0.00 0.00 0.00 0.00 51.96 51.90 3kya s ALA 267 Cb -0.04 -0.81 0.00 0.00 0.00 0.00 0.00 23.12 22.27 3kya s ALA 267 CO -0.01 -0.81 0.00 0.98 0.00 0.00 0.00 175.76 175.92 3kya n TYR 268 N 5.29 0.00 0.00 0.00 9.36 -0.12 -1.52 117.16 130.17 3kya n TYR 268 Ca -0.05 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.17 3kya n TYR 268 Cb 0.50 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.21 3kya n TYR 268 CO 0.00 0.00 0.00 0.36 0.22 0.00 0.00 176.86 177.44 3kya n LYS 269 N -0.83 0.00 -3.98 2.98 2.85 -1.21 -1.22 118.16 116.75 3kya n LYS 269 Ca 0.00 0.00 -0.29 0.00 -1.05 0.00 0.00 58.31 56.97 3kya n LYS 269 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 3kya n LYS 269 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 177.40 178.39 3kya n GLN 270 N -0.59 -4.22 -2.58 -1.58 6.02 -0.09 -4.50 117.38 109.85 3kya n GLN 270 Ca 0.00 0.49 -0.40 0.00 -0.01 0.00 0.00 57.00 57.08 3kya n GLN 270 Cb 0.00 -5.09 -0.05 0.00 1.02 0.00 0.00 30.24 26.12 3kya n GLN 270 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3kya n ASN 272 N 1.30 1.28 0.00 0.00 5.03 -1.26 -3.56 115.26 118.05 3kya n ASN 272 Ca -0.01 -1.14 0.00 0.00 0.87 0.00 0.00 54.58 54.29 3kya n ASN 272 Cb 0.46 0.27 0.00 0.00 -1.02 0.00 0.00 39.78 39.49 3kya n ASN 272 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3kya n GLY 273 N 0.63 2.42 2.84 7.41 0.00 -1.26 -4.71 105.19 112.51 3kya n GLY 273 Ca 0.04 -0.75 -0.14 0.00 0.00 0.00 0.00 46.02 45.16 3kya n GLY 273 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kya s ALA 274 N -2.00 0.09 0.01 4.61 0.00 -1.26 -3.24 121.76 119.97 3kya s ALA 274 Ca 0.00 0.10 0.02 0.00 0.00 0.00 0.00 51.96 52.09 3kya s ALA 274 Cb 0.00 -0.12 -0.01 0.00 0.00 0.00 0.00 23.12 22.98 3kya s ALA 274 CO 0.00 -0.04 -0.07 0.99 0.00 0.00 0.00 175.76 176.64 3kya s THR 275 N 0.45 0.56 -0.14 0.00 2.01 0.73 -4.60 115.64 114.65 3kya s THR 275 Ca -0.04 -0.54 -0.10 0.00 0.31 0.00 0.00 61.69 61.32 3kya s THR 275 Cb -0.06 -0.52 -0.05 0.00 0.01 0.00 0.00 72.50 71.89 3kya s THR 275 CO -0.01 -0.01 0.20 -0.63 -0.69 0.00 0.00 174.62 173.49 3kya s ILE 276 N -0.52 5.38 -0.01 1.82 -1.09 -1.26 -0.47 121.20 125.05 3kya s ILE 276 Ca -0.01 0.36 -0.30 0.00 -2.23 0.00 0.00 60.65 58.47 3kya s ILE 276 Cb -0.05 -3.51 -0.06 0.00 -1.58 0.00 0.00 42.46 37.26 3kya s ILE 276 CO 0.00 0.51 1.46 -2.28 -1.23 0.00 0.00 174.94 173.40 3kya s HIS 277 N -0.29 2.69 -0.33 3.97 5.65 -0.22 -4.91 115.29 121.84 3kya s HIS 277 Ca 0.14 0.68 0.25 0.00 0.25 0.00 0.00 55.06 56.39 3kya s HIS 277 Cb -0.12 -3.73 1.10 0.00 -1.18 0.00 0.00 32.58 28.65 3kya s HIS 277 CO 0.03 -2.78 1.76 -1.00 -0.65 0.00 0.00 174.74 172.11 3kya h PRO 278 N 8.13 0.00 0.00 2.88 0.13 -1.89 -1.22 132.00 140.02 3kya h PRO 278 Ca -0.38 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.41 3kya h PRO 278 Cb 1.18 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.26 3kya h PRO 278 CO 0.92 0.00 -2.10 -0.89 -0.23 0.00 0.00 178.00 175.70 3kya n ILE 279 N -2.39 1.17 0.48 -3.56 2.08 -1.26 -4.77 119.36 111.10 3kya n ILE 279 Ca 0.01 -0.27 0.11 0.00 0.56 0.00 0.00 62.75 63.17 3kya n ILE 279 Cb 0.21 -1.81 0.00 0.00 -0.75 0.00 0.00 39.64 37.30 3kya n ILE 279 CO 0.00 0.00 0.00 0.59 0.56 0.00 0.00 176.55 177.70 3kya n ASN 280 N -3.96 0.59 0.00 4.38 3.02 -1.24 -5.01 115.26 113.03 3kya n ASN 280 Ca -0.40 -0.15 0.00 0.00 -0.03 0.00 0.00 54.58 54.01 3kya n ASN 280 Cb 0.77 0.86 0.00 0.00 -0.61 0.00 0.00 39.78 40.80 3kya n ASN 280 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3kya n GLY 281 N 1.34 1.28 3.73 7.41 0.00 -0.46 -5.00 105.19 113.49 3kya n GLY 281 Ca 0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 3kya n GLY 281 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3kya s GLU 282 N -0.08 1.48 -0.17 1.61 1.03 -1.26 -4.54 118.70 116.77 3kya s GLU 282 Ca 0.00 0.87 -0.05 0.00 0.03 0.00 0.00 54.97 55.83 3kya s GLU 282 Cb 0.00 -1.83 -0.03 0.00 -0.80 0.00 0.00 34.13 31.47 3kya s GLU 282 CO 0.00 -2.10 -0.01 -1.17 -1.33 0.00 0.00 175.26 170.65 3kya s LEU 283 N -6.14 3.40 -0.16 1.83 2.96 0.10 -1.06 118.68 119.61 3kya s LEU 283 Ca 0.63 -0.08 -0.03 0.00 -0.22 0.00 0.00 54.13 54.43 3kya s LEU 283 Cb -0.18 -1.84 -0.02 0.00 0.50 0.00 0.00 46.19 44.66 3kya s LEU 283 CO 0.57 0.16 -0.07 -0.31 -1.32 0.00 0.00 176.35 175.37 3kya s TYR 284 N 0.45 2.94 0.05 5.38 2.02 0.39 -0.80 117.35 127.77 3kya s TYR 284 Ca -0.02 -0.52 -0.03 0.00 -0.37 0.00 0.00 57.07 56.14 3kya s TYR 284 Cb -0.14 -1.95 -0.03 0.00 -0.40 0.00 0.00 41.96 39.45 3kya s TYR 284 CO 0.02 -0.18 0.02 -0.59 -1.57 0.00 0.00 175.55 173.25 3kya s PHE 285 N 0.56 0.37 0.42 2.71 -0.71 -0.67 -0.20 117.98 120.47 3kya s PHE 285 Ca -0.05 -0.80 0.01 0.00 -1.04 0.00 0.00 56.93 55.05 3kya s PHE 285 Cb -0.15 -0.27 0.01 0.00 -1.21 0.00 0.00 43.02 41.40 3kya s PHE 285 CO 0.03 -0.36 0.05 0.27 -1.34 0.00 0.00 175.22 173.87 3kya n ASN 286 N 0.51 3.04 -3.82 1.98 6.94 -1.20 0.03 115.26 122.74 3kya n ASN 286 Ca -0.17 -2.78 -0.14 0.00 -0.02 0.00 0.00 54.58 51.47 3kya n ASN 286 Cb 0.59 0.24 -0.15 0.00 -2.36 0.00 0.00 39.78 38.10 3kya n ASN 286 CO 0.00 0.00 0.00 -0.55 -1.03 0.00 0.00 177.26 175.68 3kya s SER 287 N -3.34 0.11 0.46 0.53 0.15 -0.94 -4.24 113.70 106.43 3kya s SER 287 Ca 0.04 0.01 0.16 0.00 0.70 0.00 0.00 55.95 56.86 3kya s SER 287 Cb -0.00 -0.06 1.06 0.00 -1.71 0.00 0.00 66.02 65.31 3kya s SER 287 CO 0.03 -0.07 2.00 0.22 1.20 0.00 0.00 173.24 176.62 3kya h TYR 288 N 6.84 0.00 -0.50 3.44 5.03 -1.21 -1.27 116.97 129.29 3kya h TYR 288 Ca -0.37 0.00 0.04 0.00 2.58 0.00 0.00 58.73 60.98 3kya h TYR 288 Cb 1.16 0.00 -0.06 0.00 1.55 0.00 0.00 36.73 39.38 3kya h TYR 288 CO 0.47 0.18 -0.30 1.49 -1.32 0.00 0.00 178.16 178.68 3kya h GLU 289 N 0.00 -0.01 -0.01 1.82 4.81 -1.86 -1.04 114.58 118.29 3kya h GLU 289 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3kya h GLU 289 Cb 0.33 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.71 3kya h GLU 289 CO 0.02 -0.01 0.00 1.63 -0.73 0.00 0.00 179.01 179.93 3kya n LYS 290 N -4.14 2.16 -2.37 1.92 5.02 -1.26 -1.45 118.16 118.04 3kya n LYS 290 Ca 0.01 -1.31 -0.09 0.00 -2.02 0.00 0.00 58.31 54.89 3kya n LYS 290 Cb 0.13 -1.01 0.01 0.00 -0.02 0.00 0.00 35.03 34.14 3kya n LYS 290 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kya n GLY 291 N -0.35 0.07 3.75 0.72 0.00 -0.52 -4.49 105.19 104.38 3kya n GLY 291 Ca 0.00 -0.45 -0.37 0.00 0.00 0.00 0.00 46.02 45.21 3kya n GLY 291 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3kya s GLN 292 N -4.73 3.15 -0.17 1.61 1.11 -0.98 -1.79 119.66 117.87 3kya s GLN 292 Ca 0.06 1.96 0.01 0.00 0.01 0.00 0.00 55.36 57.40 3kya s GLN 292 Cb -0.03 -2.12 0.02 0.00 -1.01 0.00 0.00 33.01 29.87 3kya s GLN 292 CO 0.08 -1.10 -0.20 0.08 0.01 0.00 0.00 175.29 174.16 3kya s VAL 293 N -1.48 2.01 0.03 1.09 1.01 -0.46 -2.21 120.40 120.39 3kya s VAL 293 Ca 0.73 -0.92 0.03 0.00 0.00 0.00 0.00 61.98 61.82 3kya s VAL 293 Cb -0.34 -1.81 -0.04 0.00 0.00 0.00 0.00 36.38 34.20 3kya s VAL 293 CO 0.38 0.53 -0.01 -0.36 0.00 0.00 0.00 175.10 175.65 3kya s PHE 294 N 1.17 3.01 -0.15 5.22 0.08 0.10 -1.40 117.98 126.01 3kya s PHE 294 Ca 0.01 0.02 0.02 0.00 0.12 0.00 0.00 56.93 57.10 3kya s PHE 294 Cb -0.14 -1.61 0.02 0.00 -0.57 0.00 0.00 43.02 40.72 3kya s PHE 294 CO -0.10 0.45 -0.19 0.50 -0.10 0.00 0.00 175.22 175.78 3kya s ARG 295 N -1.81 2.79 -0.11 0.44 3.52 0.42 -1.66 118.95 122.53 3kya s ARG 295 Ca 0.21 -0.76 0.03 0.00 -0.13 0.00 0.00 55.73 55.08 3kya s ARG 295 Cb -0.11 -2.34 0.01 0.00 -1.56 0.00 0.00 34.95 30.94 3kya s ARG 295 CO 0.13 -0.11 -0.22 -1.17 -0.81 0.00 0.00 175.30 173.11 3kya s LEU 296 N 1.07 2.06 -0.41 -0.88 2.96 0.02 -1.59 118.68 121.91 3kya s LEU 296 Ca -0.02 -0.56 -0.22 0.00 -0.22 0.00 0.00 54.13 53.12 3kya s LEU 296 Cb -0.14 -1.38 0.02 0.00 0.50 0.00 0.00 46.19 45.19 3kya s LEU 296 CO -0.06 0.12 0.72 -0.62 -1.32 0.00 0.00 176.35 175.18 3kya s ASP 297 N 0.56 6.43 0.61 3.68 -1.08 -1.26 -0.72 116.67 124.89 3kya s ASP 297 Ca -0.14 0.00 0.33 0.00 -0.52 0.00 0.00 52.55 52.23 3kya s ASP 297 Cb -0.17 -2.36 1.93 0.00 -1.46 0.00 0.00 42.92 40.86 3kya s ASP 297 CO 0.04 -0.77 2.23 -0.07 0.52 0.00 0.00 175.17 177.13 3kya h LEU 298 N 9.78 0.00 -1.08 -1.34 3.38 -1.95 -1.63 115.31 122.46 3kya h LEU 298 Ca -0.25 0.00 0.13 0.00 0.09 0.00 0.00 57.88 57.85 3kya h LEU 298 Cb 1.10 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.76 3kya h LEU 298 CO 0.91 0.00 0.62 0.58 0.09 0.00 0.00 178.44 180.63 3kya h VAL 299 N 0.00 0.88 -0.83 1.22 2.07 -1.96 -0.72 116.25 116.91 3kya h VAL 299 Ca 0.02 -0.31 0.04 0.00 0.82 0.00 0.00 66.70 67.27 3kya h VAL 299 Cb 0.15 -0.09 -0.05 0.00 -1.52 0.00 0.00 31.29 29.77 3kya h VAL 299 CO -0.00 0.16 0.53 0.44 0.02 0.00 0.00 177.57 178.72 3kya h ASP 300 N 0.89 0.87 0.14 0.57 3.32 -1.71 -0.38 116.42 120.12 3kya h ASP 300 Ca 0.49 -0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.53 3kya h ASP 300 Cb 0.59 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.96 3kya h ASP 300 CO -0.26 0.59 -0.07 0.22 -1.72 0.00 0.00 179.24 178.00 3kya h TYR 301 N 1.02 -0.18 -0.24 4.55 3.20 -1.30 -2.76 116.97 121.27 3kya h TYR 301 Ca 0.34 -0.00 -0.12 0.00 3.14 0.00 0.00 58.73 62.09 3kya h TYR 301 Cb 0.04 0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.36 3kya h TYR 301 CO -0.03 0.15 -0.35 0.74 -1.64 0.00 0.00 178.16 177.04 3kya h PHE 302 N -0.52 0.59 -0.78 -3.82 0.04 -1.15 -2.38 116.94 108.91 3kya h PHE 302 Ca -0.02 -0.15 -0.03 0.00 2.80 0.00 0.00 57.97 60.57 3kya h PHE 302 Cb 0.41 -0.13 -0.04 0.00 2.20 0.00 0.00 35.95 38.39 3kya h PHE 302 CO 0.03 0.79 0.36 -0.22 -0.60 0.00 0.00 178.31 178.67 3kya h LYS 303 N 0.43 1.14 -0.20 1.51 3.64 -1.14 -0.66 116.57 121.29 3kya h LYS 303 Ca 0.05 -0.18 -0.02 0.00 -1.27 0.00 0.00 60.65 59.23 3kya h LYS 303 Cb 0.81 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 32.42 3kya h LYS 303 CO 0.07 0.89 0.04 1.15 -2.27 0.00 0.00 179.45 179.33 3kya h THR 304 N 1.11 1.22 -0.23 1.00 2.02 -1.23 -2.56 112.91 114.23 3kya h THR 304 Ca 0.27 -0.70 -0.15 0.00 0.77 0.00 0.00 66.41 66.60 3kya h THR 304 Cb 0.14 1.29 -0.01 0.00 -1.74 0.00 0.00 68.15 67.84 3kya h THR 304 CO -0.03 0.22 -0.47 0.40 0.37 0.00 0.00 175.52 176.01 3kya h ILE 305 N 0.14 1.30 -0.68 3.11 1.08 -1.36 0.18 117.51 121.27 3kya h ILE 305 Ca 0.06 -1.67 -0.04 0.00 -0.39 0.00 0.00 64.86 62.83 3kya h ILE 305 Cb 0.29 1.63 -0.03 0.00 -3.07 0.00 0.00 36.82 35.64 3kya h ILE 305 CO 0.00 0.53 0.28 0.50 -0.69 0.00 0.00 178.15 178.77 3kya h LYS 306 N 0.49 1.00 -0.85 2.37 3.64 -1.09 -2.51 116.57 119.61 3kya h LYS 306 Ca 0.03 -0.16 0.00 0.00 -1.27 0.00 0.00 60.65 59.25 3kya h LYS 306 Cb 1.00 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.65 3kya h LYS 306 CO 0.09 0.81 0.00 0.09 -2.27 0.00 0.00 179.45 178.17 3kya n ASN 307 N -4.31 2.58 -1.69 4.20 3.02 -0.97 -4.86 115.26 113.23 3kya n ASN 307 Ca 0.06 -2.31 -0.15 0.00 -0.03 0.00 0.00 54.58 52.15 3kya n ASN 307 Cb 0.17 -0.56 -0.01 0.00 -0.61 0.00 0.00 39.78 38.77 3kya n ASN 307 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3kya n GLY 308 N 0.22 -0.11 3.96 7.41 0.00 -0.94 -5.01 105.19 110.72 3kya n GLY 308 Ca 0.09 -0.25 -0.22 0.00 0.00 0.00 0.00 46.02 45.64 3kya n GLY 308 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3kya s GLY 309 N -2.36 1.70 -0.24 -0.02 0.00 0.62 -5.02 107.32 102.00 3kya s GLY 309 Ca 0.00 -1.15 -0.11 0.00 0.00 0.00 0.00 44.72 43.47 3kya s GLY 309 CO 0.00 -0.90 0.16 -0.56 0.00 0.00 0.00 173.10 171.80 3kya s SER 310 N -4.34 6.09 -0.03 1.64 0.01 -1.26 -4.46 113.70 111.35 3kya s SER 310 Ca 0.54 0.10 -0.24 0.00 1.31 0.00 0.00 55.95 57.65 3kya s SER 310 Cb -0.10 -2.10 -0.04 0.00 0.21 0.00 0.00 66.02 63.98 3kya s SER 310 CO 0.39 0.05 0.72 0.86 0.41 0.00 0.00 173.24 175.67 3kya s TRP 311 N 1.13 3.62 -0.39 2.43 -0.11 -1.26 -5.01 118.94 119.35 3kya s TRP 311 Ca 0.07 1.31 -0.12 0.00 1.22 0.00 0.00 56.10 58.59 3kya s TRP 311 Cb -0.14 -2.81 0.03 0.00 -1.50 0.00 0.00 33.47 29.06 3kya s TRP 311 CO 0.05 0.14 0.23 0.34 -4.62 0.00 0.00 176.95 173.10 3kya s ASP 312 N 0.55 5.82 0.00 5.86 2.15 -1.26 -4.97 116.67 124.82 3kya s ASP 312 Ca 0.38 -1.02 0.28 0.00 0.43 0.00 0.00 52.55 52.63 3kya s ASP 312 Cb -0.18 -2.05 1.16 0.00 -0.30 0.00 0.00 42.92 41.55 3kya s ASP 312 CO 0.19 -0.42 1.83 -0.81 -0.17 0.00 0.00 175.17 175.80 3kya n PRO 313 N 5.03 0.50 -1.93 4.34 -0.04 -1.26 -4.80 135.00 136.83 3kya n PRO 313 Ca -0.12 -0.16 -0.38 0.00 -0.04 0.00 0.00 63.50 62.80 3kya n PRO 313 Cb 0.46 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.39 3kya n PRO 313 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3kya s ILE 314 N -2.61 3.29 0.17 0.52 1.01 -1.26 -0.25 121.20 122.07 3kya s ILE 314 Ca 0.25 0.18 -0.15 0.00 0.00 0.00 0.00 60.65 60.92 3kya s ILE 314 Cb 0.20 -3.72 0.10 0.00 0.01 0.00 0.00 42.46 39.04 3kya s ILE 314 CO 0.51 -0.68 1.69 0.58 0.00 0.00 0.00 174.94 177.03 3kya h VAL 315 N 7.05 0.65 -0.49 2.92 2.07 -1.59 -2.80 116.25 124.06 3kya h VAL 315 Ca -0.26 -0.03 0.07 0.00 0.82 0.00 0.00 66.70 67.30 3kya h VAL 315 Cb 1.19 0.55 -0.03 0.00 -1.52 0.00 0.00 31.29 31.47 3kya h VAL 315 CO 1.19 0.02 0.33 0.07 0.02 0.00 0.00 177.57 179.20 3kya h LYS 316 N 0.09 0.35 -0.00 1.57 2.10 -1.87 -1.84 116.57 116.98 3kya h LYS 316 Ca 0.22 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.85 3kya h LYS 316 Cb 0.32 -0.08 0.00 0.00 -0.90 0.00 0.00 32.23 31.57 3kya h LYS 316 CO -0.38 0.23 -0.12 0.09 -2.00 0.00 0.00 179.45 177.28 3kya n ASN 317 N -4.47 0.42 -3.23 7.07 3.02 -1.06 -4.39 115.26 112.62 3kya n ASN 317 Ca 0.07 -0.46 -0.24 0.00 -0.03 0.00 0.00 54.58 53.92 3kya n ASN 317 Cb 0.30 -0.09 -0.07 0.00 -0.61 0.00 0.00 39.78 39.30 3kya n ASN 317 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3kya n ASN 318 N -1.04 1.00 0.27 6.41 3.02 -0.69 -4.97 115.26 119.27 3kya n ASN 318 Ca 0.13 -2.88 0.16 0.00 -0.03 0.00 0.00 54.58 51.96 3kya n ASN 318 Cb 0.28 -0.64 0.75 0.00 -0.61 0.00 0.00 39.78 39.56 3kya n ASN 318 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 3kya h PRO 319 N 3.96 0.00 0.00 3.52 0.13 -1.77 -2.12 132.00 135.72 3kya h PRO 319 Ca 0.10 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 65.07 3kya h PRO 319 Cb 0.84 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.94 3kya h PRO 319 CO 0.54 0.07 -0.74 -0.91 -0.23 0.00 0.00 178.00 176.74 3kya h ASN 320 N 0.00 0.00 0.15 1.44 2.35 -1.93 -3.31 115.58 114.28 3kya h ASN 320 Ca -0.00 0.00 -0.36 0.00 -0.55 0.00 0.00 56.30 55.39 3kya h ASN 320 Cb 0.41 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.73 3kya h ASN 320 CO 0.01 0.74 -2.13 1.07 -1.65 0.00 0.00 177.43 175.47 3kya n THR 321 N -3.41 1.61 -3.51 2.81 5.66 -1.08 -4.49 114.28 111.87 3kya n THR 321 Ca 0.00 -0.69 -0.40 0.00 -3.05 0.00 0.00 64.05 59.91 3kya n THR 321 Cb 0.79 -1.32 -0.04 0.00 -1.55 0.00 0.00 70.33 68.21 3kya n THR 321 CO 0.00 0.00 0.00 -0.36 -3.05 0.00 0.00 175.07 171.66 3kya s PHE 322 N -2.55 4.07 -0.08 1.09 0.08 -0.82 -4.38 117.98 115.40 3kya s PHE 322 Ca -0.20 -2.89 -0.30 0.00 0.12 0.00 0.00 56.93 53.65 3kya s PHE 322 Cb 0.07 -3.50 -0.03 0.00 -0.57 0.00 0.00 43.02 38.99 3kya s PHE 322 CO 0.74 -0.83 1.32 0.21 -0.10 0.00 0.00 175.22 176.56 3kya s LYS 323 N -1.34 4.28 -0.53 0.44 2.20 -0.62 -4.63 119.74 119.53 3kya s LYS 323 Ca 0.29 1.79 -0.24 0.00 -0.36 0.00 0.00 55.97 57.46 3kya s LYS 323 Cb -0.08 -3.68 0.04 0.00 -1.51 0.00 0.00 37.83 32.60 3kya s LYS 323 CO -0.11 -0.61 0.90 -1.14 -0.36 0.00 0.00 175.35 174.04 3kya s GLN 324 N 2.89 3.35 0.08 4.03 0.74 -1.26 -0.44 119.66 129.05 3kya s GLN 324 Ca 0.59 -0.24 -0.14 0.00 0.05 0.00 0.00 55.36 55.62 3kya s GLN 324 Cb -0.26 -4.03 -0.20 0.00 1.10 0.00 0.00 33.01 29.62 3kya s GLN 324 CO 0.21 -1.40 1.24 -0.07 -0.55 0.00 0.00 175.29 174.71 3kya h LEU 325 N 10.77 0.88 -7.45 3.68 3.38 -1.61 -3.49 115.31 121.47 3kya h LEU 325 Ca -0.26 -0.68 0.36 0.00 0.09 0.00 0.00 57.88 57.39 3kya h LEU 325 Cb 1.08 -0.27 -0.11 0.00 0.09 0.00 0.00 40.66 41.45 3kya h LEU 325 CO 1.06 1.44 0.92 0.72 0.09 0.00 0.00 178.44 182.67 3kya s PHE 326 N -3.53 -0.01 -0.12 1.13 -0.12 -1.26 -4.95 117.98 109.13 3kya s PHE 326 Ca -0.11 -0.06 -0.02 0.00 -0.05 0.00 0.00 56.93 56.69 3kya s PHE 326 Cb 0.07 0.53 -0.03 0.00 -0.63 0.00 0.00 43.02 42.97 3kya s PHE 326 CO 0.90 -0.17 -0.04 0.95 -0.05 0.00 0.00 175.22 176.81 3kya s THR 327 N -2.15 3.91 0.08 -4.49 -4.23 -1.26 -1.36 115.64 106.14 3kya s THR 327 Ca 0.21 -0.37 0.11 0.00 -1.18 0.00 0.00 61.69 60.45 3kya s THR 327 Cb 0.04 -2.67 -0.08 0.00 1.34 0.00 0.00 72.50 71.13 3kya s THR 327 CO -0.04 0.54 1.42 0.16 -0.54 0.00 0.00 174.62 176.16 3kya h ILE 328 N 4.76 1.38 0.00 2.99 3.07 -1.58 -3.49 117.51 124.65 3kya h ILE 328 Ca -0.39 -2.73 0.00 0.00 1.55 0.00 0.00 64.86 63.30 3kya h ILE 328 Cb 1.19 2.54 0.00 0.00 -0.27 0.00 0.00 36.82 40.27 3kya h ILE 328 CO 0.59 0.74 0.00 0.00 -1.05 0.00 0.00 178.15 178.42 3kya n ALA 329 N -2.32 0.00 -2.07 0.16 0.00 -1.26 -4.90 120.51 110.12 3kya n ALA 329 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.26 3kya n ALA 329 Cb 0.79 0.00 0.02 0.00 0.00 0.00 0.00 19.45 20.26 3kya n ALA 329 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3kya s ASP 330 N 1.86 5.36 0.81 0.00 1.01 -1.26 -4.96 116.67 119.49 3kya s ASP 330 Ca 0.00 -0.63 -0.11 0.00 0.71 0.00 0.00 52.55 52.52 3kya s ASP 330 Cb 0.00 -0.33 0.08 0.00 1.01 0.00 0.00 42.92 43.69 3kya s ASP 330 CO 0.00 -0.92 1.12 -2.84 0.21 0.00 0.00 175.17 172.74 3kya s PRO 331 N -4.40 1.84 -0.92 8.23 0.02 -1.26 -4.01 135.00 134.50 3kya s PRO 331 Ca 0.55 1.38 -0.02 0.00 0.02 0.00 0.00 61.00 62.93 3kya s PRO 331 Cb -0.07 -1.83 -0.02 0.00 0.02 0.00 0.00 34.50 32.59 3kya s PRO 331 CO 0.33 -1.99 0.78 0.43 -0.33 0.00 0.00 177.00 176.23 3kya n SER 332 N -3.61 -3.50 -4.20 2.53 7.64 -0.47 -4.95 113.62 107.05 3kya n SER 332 Ca 0.11 -0.53 -0.36 0.00 1.01 0.00 0.00 58.87 59.10 3kya n SER 332 Cb 0.52 -4.27 -0.13 0.00 -1.01 0.00 0.00 64.21 59.32 3kya n SER 332 CO 0.00 0.00 0.00 0.86 -3.01 0.00 0.00 175.04 172.89 3kya s TRP 333 N -3.30 3.24 -0.31 1.43 -0.11 -0.75 -5.02 118.94 114.12 3kya s TRP 333 Ca 0.15 -1.72 -0.17 0.00 1.22 0.00 0.00 56.10 55.57 3kya s TRP 333 Cb -0.02 -2.14 -0.02 0.00 -1.50 0.00 0.00 33.47 29.79 3kya s TRP 333 CO 0.59 -0.78 0.47 -2.00 -4.62 0.00 0.00 176.95 170.62 3kya s GLU 334 N 1.30 3.81 0.12 5.86 2.12 -1.26 -4.18 118.70 126.47 3kya s GLU 334 Ca -0.04 -0.02 -0.20 0.00 0.36 0.00 0.00 54.97 55.07 3kya s GLU 334 Cb -0.19 -3.74 0.05 0.00 0.26 0.00 0.00 34.13 30.51 3kya s GLU 334 CO -0.00 -0.49 0.50 -0.59 -0.54 0.00 0.00 175.26 174.14 3kya s PHE 335 N 2.28 -0.37 0.27 5.30 -0.71 -1.26 -0.76 117.98 122.72 3kya s PHE 335 Ca 0.18 0.16 0.11 0.00 -1.04 0.00 0.00 56.93 56.34 3kya s PHE 335 Cb -0.16 0.39 -0.05 0.00 -1.21 0.00 0.00 43.02 41.99 3kya s PHE 335 CO 0.11 -0.75 -0.17 -0.65 -1.34 0.00 0.00 175.22 172.43 3kya s GLN 336 N -3.53 1.60 -0.18 1.99 -0.21 -0.95 -4.45 119.66 113.94 3kya s GLN 336 Ca 0.01 -1.74 -0.02 0.00 0.02 0.00 0.00 55.36 53.63 3kya s GLN 336 Cb 0.00 -1.58 -0.01 0.00 1.00 0.00 0.00 33.01 32.43 3kya s GLN 336 CO -0.10 0.27 -0.09 0.42 -2.12 0.00 0.00 175.29 173.66 3kya s ILE 337 N -2.65 3.13 -0.25 1.08 1.01 -1.26 -1.10 121.20 121.16 3kya s ILE 337 Ca 0.28 -0.60 0.03 0.00 0.00 0.00 0.00 60.65 60.36 3kya s ILE 337 Cb -0.03 -2.37 0.05 0.00 0.01 0.00 0.00 42.46 40.12 3kya s ILE 337 CO 0.13 0.48 -0.13 -0.36 0.00 0.00 0.00 174.94 175.06 3kya s PHE 338 N 0.97 3.17 -0.13 3.97 0.08 -0.19 -4.79 117.98 121.06 3kya s PHE 338 Ca -0.01 -2.20 -0.11 0.00 0.12 0.00 0.00 56.93 54.73 3kya s PHE 338 Cb -0.15 -1.92 -0.05 0.00 -0.57 0.00 0.00 43.02 40.33 3kya s PHE 338 CO -0.01 -0.87 0.23 0.42 -0.10 0.00 0.00 175.22 174.90 3kya s ILE 339 N 1.14 5.35 0.52 0.64 1.01 -1.26 -0.42 121.20 128.17 3kya s ILE 339 Ca -0.07 0.41 -0.23 0.00 0.00 0.00 0.00 60.65 60.77 3kya s ILE 339 Cb -0.19 -3.54 -0.06 0.00 0.01 0.00 0.00 42.46 38.69 3kya s ILE 339 CO -0.06 0.51 1.40 1.57 0.00 0.00 0.00 174.94 178.35 3kya n HIS 340 N 2.76 2.48 0.08 3.97 -0.00 -0.26 -4.89 115.22 119.36 3kya n HIS 340 Ca -0.16 0.43 0.18 0.00 -0.00 0.00 0.00 57.72 58.18 3kya n HIS 340 Cb 0.53 -2.40 0.72 0.00 -0.00 0.00 0.00 29.99 28.84 3kya n HIS 340 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 3kya h PRO 341 N 1.72 0.00 0.00 1.57 0.11 -1.96 0.25 132.00 133.69 3kya h PRO 341 Ca -0.51 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3kya h PRO 341 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 3kya h PRO 341 CO 0.58 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.62 3kya n THR 342 N -4.18 0.63 -0.97 -1.15 -2.24 -1.26 -4.79 114.28 100.32 3kya n THR 342 Ca 0.07 -0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 3kya n THR 342 Cb 0.50 -0.76 0.00 0.00 -2.10 0.00 0.00 70.33 67.98 3kya n THR 342 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kya n GLY 343 N 0.91 0.47 0.08 3.38 0.00 0.87 -4.84 105.19 106.07 3kya n GLY 343 Ca 0.05 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.19 3kya n GLY 343 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3kya n LYS 344 N -2.06 0.26 -3.83 1.61 5.02 -1.26 -4.71 118.16 113.19 3kya n LYS 344 Ca 0.00 0.15 -0.06 0.00 -2.02 0.00 0.00 58.31 56.38 3kya n LYS 344 Cb 0.09 -1.74 -0.02 0.00 -0.02 0.00 0.00 35.03 33.34 3kya n LYS 344 CO 0.00 0.00 0.00 1.52 -0.52 0.00 0.00 177.40 178.40 3kya s TYR 345 N -3.12 -0.18 0.03 2.13 -0.85 -1.26 -1.46 117.35 112.64 3kya s TYR 345 Ca 0.09 -0.24 -0.06 0.00 -0.52 0.00 0.00 57.07 56.34 3kya s TYR 345 Cb 0.13 0.69 -0.01 0.00 0.38 0.00 0.00 41.96 43.15 3kya s TYR 345 CO 0.65 -1.13 0.11 0.00 -1.52 0.00 0.00 175.55 173.67 3kya s ALA 346 N -3.75 -0.15 -0.11 9.51 0.00 -0.31 -1.10 121.76 125.85 3kya s ALA 346 Ca 0.11 -0.44 -0.02 0.00 0.00 0.00 0.00 51.96 51.61 3kya s ALA 346 Cb -0.05 0.23 -0.03 0.00 0.00 0.00 0.00 23.12 23.27 3kya s ALA 346 CO 0.06 -0.30 -0.02 0.71 0.00 0.00 0.00 175.76 176.20 3kya s TYR 347 N -2.35 3.07 -0.32 0.00 2.02 0.44 -0.93 117.35 119.27 3kya s TYR 347 Ca -0.07 -0.01 -0.08 0.00 -0.37 0.00 0.00 57.07 56.53 3kya s TYR 347 Cb -0.03 -1.84 0.01 0.00 -0.40 0.00 0.00 41.96 39.71 3kya s TYR 347 CO -0.03 0.26 0.13 -0.06 -1.57 0.00 0.00 175.55 174.28 3kya s PHE 348 N -0.40 3.19 -0.47 2.71 0.08 -1.26 -1.02 117.98 120.81 3kya s PHE 348 Ca 0.07 -0.90 -0.22 0.00 0.12 0.00 0.00 56.93 56.00 3kya s PHE 348 Cb -0.12 -2.32 0.03 0.00 -0.57 0.00 0.00 43.02 40.03 3kya s PHE 348 CO 0.02 -0.57 0.76 0.20 -0.10 0.00 0.00 175.22 175.53 3kya s GLY 349 N 1.54 1.62 -0.93 4.36 0.00 -0.26 -4.24 107.32 109.40 3kya s GLY 349 Ca 0.03 -1.15 -0.20 0.00 0.00 0.00 0.00 44.72 43.39 3kya s GLY 349 CO 0.04 1.73 1.20 0.14 0.00 0.00 0.00 173.10 176.22 3kya s VAL 350 N 3.20 4.48 0.19 1.40 1.01 0.03 -2.23 120.40 128.48 3kya s VAL 350 Ca 0.27 -1.27 -0.12 0.00 0.00 0.00 0.00 61.98 60.86 3kya s VAL 350 Cb -0.13 -4.85 0.12 0.00 0.00 0.00 0.00 36.38 31.52 3kya s VAL 350 CO 0.20 -1.62 1.71 0.40 0.00 0.00 0.00 175.10 175.79 3kya h ILE 351 N 6.09 0.69 -0.00 2.22 2.04 -1.09 -1.96 117.51 125.50 3kya h ILE 351 Ca 0.13 -0.08 0.00 0.00 1.00 0.00 0.00 64.86 65.92 3kya h ILE 351 Cb 1.02 0.45 0.00 0.00 -0.74 0.00 0.00 36.82 37.55 3kya h ILE 351 CO 1.20 0.04 -0.22 -0.46 0.00 0.00 0.00 178.15 178.70 3kya n ASN 352 N -5.13 0.60 0.00 1.72 6.94 -1.24 -3.97 115.26 114.19 3kya n ASN 352 Ca 0.06 -0.50 0.00 0.00 -0.02 0.00 0.00 54.58 54.12 3kya n ASN 352 Cb 0.26 0.01 0.00 0.00 -2.36 0.00 0.00 39.78 37.69 3kya n ASN 352 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 3kya n ASN 353 N -1.03 1.35 -2.56 0.53 3.02 -1.10 -5.00 115.26 110.47 3kya n ASN 353 Ca 0.11 -1.62 -0.16 0.00 -0.03 0.00 0.00 54.58 52.89 3kya n ASN 353 Cb 0.32 0.00 0.05 0.00 -0.61 0.00 0.00 39.78 39.54 3kya n ASN 353 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 3kya n HIS 354 N -0.31 -1.90 -3.78 3.10 8.25 -0.76 -1.06 115.22 118.76 3kya n HIS 354 Ca 0.00 0.67 -0.09 0.00 -0.26 0.00 0.00 57.72 58.04 3kya n HIS 354 Cb 0.28 -3.70 -0.03 0.00 1.12 0.00 0.00 29.99 27.66 3kya n HIS 354 CO 0.00 0.00 0.00 1.52 0.64 0.00 0.00 176.34 178.50 3kya s TYR 355 N -3.21 -0.13 0.08 4.41 1.13 -1.23 -3.56 117.35 114.85 3kya s TYR 355 Ca 0.37 -0.25 0.00 0.00 -1.41 0.00 0.00 57.07 55.79 3kya s TYR 355 Cb -0.16 0.50 0.00 0.00 -1.10 0.00 0.00 41.96 41.20 3kya s TYR 355 CO 0.48 -1.04 0.03 1.19 -2.51 0.00 0.00 175.55 173.70 3kya n PHE 356 N -0.40 -0.53 -3.66 -3.49 3.01 -0.12 -0.79 117.46 111.47 3kya n PHE 356 Ca -0.07 -0.38 -0.13 0.00 1.01 0.00 0.00 57.45 57.88 3kya n PHE 356 Cb 0.61 -0.06 -0.08 0.00 -0.01 0.00 0.00 39.48 39.94 3kya n PHE 356 CO 0.00 0.00 0.00 0.50 1.01 0.00 0.00 176.76 178.27 3kya s ARG 358 N -2.31 0.71 -0.07 -1.08 3.52 0.19 -1.18 118.95 118.72 3kya s ARG 358 Ca 0.02 0.88 0.02 0.00 -0.13 0.00 0.00 55.73 56.51 3kya s ARG 358 Cb -0.00 0.33 0.02 0.00 -1.56 0.00 0.00 34.95 33.73 3kya s ARG 358 CO 0.01 -0.09 -0.10 0.45 -0.81 0.00 0.00 175.30 174.76 3kya s SER 359 N 0.44 1.74 0.37 -2.12 0.15 -0.11 -1.28 113.70 112.90 3kya s SER 359 Ca -0.01 -0.28 -0.19 0.00 0.70 0.00 0.00 55.95 56.17 3kya s SER 359 Cb -0.04 -0.78 -0.10 0.00 -1.71 0.00 0.00 66.02 63.38 3kya s SER 359 CO -0.01 -0.00 0.87 -1.81 1.20 0.00 0.00 173.24 173.48 3kya s ASP 360 N 0.88 6.93 -0.24 5.45 1.01 -1.26 -1.16 116.67 128.28 3kya s ASP 360 Ca -0.11 1.56 -0.08 0.00 0.71 0.00 0.00 52.55 54.63 3kya s ASP 360 Cb -0.15 -2.48 -0.04 0.00 1.01 0.00 0.00 42.92 41.26 3kya s ASP 360 CO 0.01 -0.26 0.09 -0.47 0.21 0.00 0.00 175.17 174.75 3kya s TYR 361 N -2.03 3.14 -0.47 4.23 5.04 -0.53 -1.38 117.35 125.34 3kya s TYR 361 Ca 0.57 -0.22 -0.29 0.00 -2.44 0.00 0.00 57.07 54.70 3kya s TYR 361 Cb -0.11 -2.24 0.03 0.00 0.35 0.00 0.00 41.96 39.99 3kya s TYR 361 CO 0.16 -0.23 1.11 0.34 -1.34 0.00 0.00 175.55 175.59 3kya s ASP 362 N 1.44 6.62 0.45 4.32 -1.08 0.04 -4.89 116.67 123.57 3kya s ASP 362 Ca 0.06 0.43 0.30 0.00 -0.52 0.00 0.00 52.55 52.82 3kya s ASP 362 Cb -0.15 -2.54 1.22 0.00 -1.46 0.00 0.00 42.92 39.99 3kya s ASP 362 CO 0.05 -1.23 1.89 -0.33 0.52 0.00 0.00 175.17 176.07 3kya h GLU 363 N 9.20 0.00 0.00 4.34 5.08 -1.96 0.20 114.58 131.44 3kya h GLU 363 Ca -0.23 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.03 3kya h GLU 363 Cb 1.06 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.30 3kya h GLU 363 CO 1.12 0.00 -0.55 0.82 -1.00 0.00 0.00 179.01 179.39 3kya h ILE 364 N 0.00 1.24 0.00 3.13 1.08 -1.96 -3.35 117.51 117.66 3kya h ILE 364 Ca 0.00 -2.14 -0.02 0.00 -0.39 0.00 0.00 64.86 62.31 3kya h ILE 364 Cb 0.48 2.55 -0.00 0.00 -3.07 0.00 0.00 36.82 36.78 3kya h ILE 364 CO 0.00 0.42 -0.08 0.11 -0.69 0.00 0.00 178.15 177.91 3kya h LYS 365 N -1.00 0.00 -5.55 2.37 1.57 -1.98 -3.47 116.57 108.51 3kya h LYS 365 Ca -0.15 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.29 3kya h LYS 365 Cb 1.05 0.00 0.15 0.00 0.08 0.00 0.00 32.23 33.51 3kya h LYS 365 CO -0.09 0.08 -0.69 1.63 -0.57 0.00 0.00 179.45 179.81 3kya n LYS 366 N -3.19 -6.98 -3.97 3.15 5.02 0.70 -5.02 118.16 107.88 3kya n LYS 366 Ca 0.01 0.80 -0.09 0.00 -2.02 0.00 0.00 58.31 57.01 3kya n LYS 366 Cb 0.38 -5.72 -0.11 0.00 -0.02 0.00 0.00 35.03 29.56 3kya n LYS 366 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3kya s GLU 367 N -5.77 0.37 0.56 1.97 2.02 -1.11 -4.99 118.70 111.74 3kya s GLU 367 Ca 0.28 -0.64 -0.16 0.00 0.02 0.00 0.00 54.97 54.47 3kya s GLU 367 Cb -0.12 0.14 -0.06 0.00 0.10 0.00 0.00 34.13 34.19 3kya s GLU 367 CO 0.70 -0.07 1.03 -0.06 0.02 0.00 0.00 175.26 176.87 3kya s PHE 368 N -1.71 3.21 0.31 1.61 0.08 -1.26 -0.78 117.98 119.43 3kya s PHE 368 Ca -0.13 1.49 0.09 0.00 0.12 0.00 0.00 56.93 58.49 3kya s PHE 368 Cb -0.08 -2.91 -0.04 0.00 -0.57 0.00 0.00 43.02 39.42 3kya s PHE 368 CO -0.02 -0.78 0.07 0.96 -0.10 0.00 0.00 175.22 175.36 3kya s ILE 369 N -2.54 3.23 -0.34 0.64 -4.36 -0.48 -4.87 121.20 112.48 3kya s ILE 369 Ca 0.61 -1.79 -0.44 0.00 -0.26 0.00 0.00 60.65 58.77 3kya s ILE 369 Cb -0.13 -2.93 -0.20 0.00 1.25 0.00 0.00 42.46 40.45 3kya s ILE 369 CO 0.35 -0.27 1.41 0.41 0.24 0.00 0.00 174.94 177.08 3kya n THR 370 N -1.03 0.00 -1.87 8.37 -1.04 -1.26 -4.38 114.28 113.06 3kya n THR 370 Ca -0.05 0.00 -0.29 0.00 -2.04 0.00 0.00 64.05 61.67 3kya n THR 370 Cb 0.60 -0.34 0.08 0.00 -1.82 0.00 0.00 70.33 68.86 3kya n THR 370 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 3kya s PRO 371 N 2.05 2.07 0.07 -2.82 0.04 -1.26 -4.78 135.00 130.37 3kya s PRO 371 Ca 0.99 0.19 0.01 0.00 0.04 0.00 0.00 61.00 62.22 3kya s PRO 371 Cb -1.40 -1.96 -0.03 0.00 0.04 0.00 0.00 34.50 31.15 3kya s PRO 371 CO 0.73 -1.53 -0.06 1.52 0.04 0.00 0.00 177.00 177.70 3kya s TYR 372 N -3.52 0.70 0.17 0.56 -0.85 -0.40 -4.93 117.35 109.07 3kya s TYR 372 Ca 0.61 -0.79 -0.32 0.00 -0.52 0.00 0.00 57.07 56.05 3kya s TYR 372 Cb -0.11 -0.43 -0.12 0.00 0.38 0.00 0.00 41.96 41.68 3kya s TYR 372 CO 0.50 -0.18 1.72 0.09 -1.52 0.00 0.00 175.55 176.16 3kya n ASN 373 N 0.57 3.79 0.01 -0.18 3.02 -1.26 -0.64 115.26 120.56 3kya n ASN 373 Ca -0.17 1.05 -0.01 0.00 -0.03 0.00 0.00 54.58 55.42 3kya n ASN 373 Cb 0.59 -1.53 -0.00 0.00 -0.61 0.00 0.00 39.78 38.22 3kya n ASN 373 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 3kya n PHE 374 N 4.32 0.00 -4.09 3.10 7.35 -0.32 -4.80 117.46 123.02 3kya n PHE 374 Ca 0.17 0.00 -0.14 0.00 -0.76 0.00 0.00 57.45 56.72 3kya n PHE 374 Cb 0.34 -0.07 -0.12 0.00 0.35 0.00 0.00 39.48 39.98 3kya n PHE 374 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 3kya s VAL 375 N -1.62 0.50 0.00 -2.13 -7.23 -0.96 -3.66 120.40 105.30 3kya s VAL 375 Ca -0.04 -0.83 0.00 0.00 -1.81 0.00 0.00 61.98 59.30 3kya s VAL 375 Cb 0.01 -0.53 0.00 0.00 0.56 0.00 0.00 36.38 36.41 3kya s VAL 375 CO 0.06 -0.23 0.00 0.61 -0.31 0.00 0.00 175.10 175.23 3kya n GLY 376 N 1.90 0.79 3.57 2.32 0.00 -0.72 -0.95 105.19 112.11 3kya n GLY 376 Ca -0.20 -1.83 -0.39 0.00 0.00 0.00 0.00 46.02 43.60 3kya n GLY 376 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3kya s GLY 377 N -1.11 1.93 -0.43 -0.02 0.00 -1.11 -4.33 107.32 102.26 3kya s GLY 377 Ca 0.00 -1.15 -0.40 0.00 0.00 0.00 0.00 44.72 43.17 3kya s GLY 377 CO 0.00 0.76 2.16 2.98 0.00 0.00 0.00 173.10 178.99 3kya n TYR 378 N 5.14 1.37 -2.16 1.90 9.36 -1.26 -1.08 117.16 130.43 3kya n TYR 378 Ca -0.12 0.54 -0.21 0.00 3.32 0.00 0.00 57.90 61.43 3kya n TYR 378 Cb 0.51 -2.40 -0.03 0.00 -0.63 0.00 0.00 39.34 36.78 3kya n TYR 378 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 3kya n LYS 379 N 7.79 -1.63 -3.72 2.98 5.02 -0.23 -4.96 118.16 123.41 3kya n LYS 379 Ca 0.48 1.07 -0.30 0.00 -2.02 0.00 0.00 58.31 57.55 3kya n LYS 379 Cb 0.08 -5.65 -0.14 0.00 -0.02 0.00 0.00 35.03 29.31 3kya n LYS 379 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 3kya s GLN 380 N -4.66 1.12 0.57 1.97 -0.21 -0.24 -5.03 119.66 113.18 3kya s GLN 380 Ca 0.00 -1.73 -0.19 0.00 0.02 0.00 0.00 55.36 53.46 3kya s GLN 380 Cb 0.00 -2.25 -0.04 0.00 1.00 0.00 0.00 33.01 31.72 3kya s GLN 380 CO 0.00 -1.11 1.15 -1.54 -2.12 0.00 0.00 175.29 171.67 3kya s SER 381 N 0.74 5.48 0.00 5.90 1.04 -1.26 -4.40 113.70 121.20 3kya s SER 381 Ca 0.15 2.22 0.00 0.00 0.48 0.00 0.00 55.95 58.80 3kya s SER 381 Cb -0.22 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.31 3kya s SER 381 CO -0.07 -1.38 0.00 0.61 0.98 0.00 0.00 173.24 173.38 3kya n GLY 382 N 0.18 -1.32 2.63 7.32 0.00 -1.26 -5.00 105.19 107.74 3kya n GLY 382 Ca 0.12 -0.97 -0.28 0.00 0.00 0.00 0.00 46.02 44.89 3kya n GLY 382 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3kya s TYR 383 N -2.94 0.65 -0.26 1.61 5.04 -1.26 -3.35 117.35 116.85 3kya s TYR 383 Ca 0.00 -0.85 -0.08 0.00 -2.44 0.00 0.00 57.07 53.69 3kya s TYR 383 Cb 0.00 -0.99 0.11 0.00 0.35 0.00 0.00 41.96 41.43 3kya s TYR 383 CO 0.00 -0.70 0.55 0.50 -1.34 0.00 0.00 175.55 174.55 3kya s ARG 384 N 1.98 0.47 -0.13 4.97 3.52 -0.80 -4.89 118.95 124.07 3kya s ARG 384 Ca 0.05 1.26 -0.29 0.00 -0.13 0.00 0.00 55.73 56.62 3kya s ARG 384 Cb -0.16 0.63 -0.01 0.00 -1.56 0.00 0.00 34.95 33.84 3kya s ARG 384 CO -0.21 -0.23 1.03 -0.51 -0.81 0.00 0.00 175.30 174.56 3kya s ASP 385 N 2.77 7.20 0.04 -2.12 1.01 -1.26 -1.22 116.67 123.08 3kya s ASP 385 Ca -0.04 1.51 -0.04 0.00 0.71 0.00 0.00 52.55 54.70 3kya s ASP 385 Cb -0.12 -2.55 0.02 0.00 1.01 0.00 0.00 42.92 41.27 3kya s ASP 385 CO -0.16 -0.51 0.20 -0.67 0.21 0.00 0.00 175.17 174.24 3kya n ASP 386 N 5.36 -0.34 -4.85 0.27 -0.08 -1.13 -4.94 116.55 110.83 3kya n ASP 386 Ca 0.10 -1.18 -0.37 0.00 -1.51 0.00 0.00 54.79 51.83 3kya n ASP 386 Cb 0.48 0.55 -0.06 0.00 2.34 0.00 0.00 41.12 44.43 3kya n ASP 386 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 3kya s VAL 387 N -2.47 5.49 0.00 5.18 1.01 -1.26 -1.17 120.40 127.19 3kya s VAL 387 Ca 0.05 0.21 0.00 0.00 0.00 0.00 0.00 61.98 62.23 3kya s VAL 387 Cb -0.01 -3.41 0.00 0.00 0.00 0.00 0.00 36.38 32.96 3kya s VAL 387 CO 0.01 0.59 0.00 0.61 0.00 0.00 0.00 175.10 176.31 3kya n GLY 388 N 2.26 3.03 0.00 4.51 0.00 0.24 -2.18 105.19 113.04 3kya n GLY 388 Ca -0.19 -0.11 0.06 0.00 0.00 0.00 0.00 46.02 45.78 3kya n GLY 388 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3kya n THR 389 N 0.00 0.00 0.53 2.61 -2.24 -1.24 -1.76 114.28 112.18 3kya n THR 389 Ca 0.00 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.89 3kya n THR 389 Cb 0.00 -0.37 0.05 0.00 -2.10 0.00 0.00 70.33 67.91 3kya n THR 389 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3kya n GLU 390 N -0.76 0.31 -1.75 -0.78 1.02 -0.92 -4.20 120.64 113.57 3kya n GLU 390 Ca 0.10 0.02 -0.33 0.00 -0.02 0.00 0.00 57.16 56.93 3kya n GLU 390 Cb 0.04 -1.63 0.05 0.00 -0.02 0.00 0.00 31.44 29.88 3kya n GLU 390 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3kya s ALA 391 N -3.21 2.48 0.17 0.62 0.00 -0.95 -4.77 121.76 116.11 3kya s ALA 391 Ca 0.04 0.53 0.04 0.00 0.00 0.00 0.00 51.96 52.57 3kya s ALA 391 Cb 0.14 -3.31 -0.05 0.00 0.00 0.00 0.00 23.12 19.90 3kya s ALA 391 CO 0.78 -1.27 -0.08 1.03 0.00 0.00 0.00 175.76 176.22 3kya s ARG 392 N -4.13 1.13 -0.30 0.00 1.81 -0.36 -2.74 118.95 114.37 3kya s ARG 392 Ca 0.67 -1.51 -0.04 0.00 -1.72 0.00 0.00 55.73 53.12 3kya s ARG 392 Cb -0.20 -0.63 0.19 0.00 -0.45 0.00 0.00 34.95 33.86 3kya s ARG 392 CO 0.42 0.04 0.85 1.21 -0.68 0.00 0.00 175.30 177.13 3kya s ASN 394 N -3.20 -0.93 -0.71 0.23 3.84 -1.21 -1.90 114.94 111.05 3kya s ASN 394 Ca 0.20 0.19 -0.02 0.00 0.21 0.00 0.00 52.86 53.44 3kya s ASN 394 Cb 0.03 1.62 -0.02 0.00 -0.55 0.00 0.00 41.25 42.33 3kya s ASN 394 CO 0.03 -0.17 0.65 -3.20 -2.79 0.00 0.00 177.10 171.61 3kya n ASN 395 N 5.29 -6.39 -4.71 -4.21 2.85 -1.25 -1.55 115.26 105.28 3kya n ASN 395 Ca 0.05 -0.27 -0.42 0.00 -0.11 0.00 0.00 54.58 53.83 3kya n ASN 395 Cb 0.55 -4.48 -0.03 0.00 1.24 0.00 0.00 39.78 37.07 3kya n ASN 395 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 3kya s PRO 396 N -3.46 4.32 0.00 1.20 0.04 -1.26 -1.52 135.00 134.32 3kya s PRO 396 Ca 0.15 2.04 0.00 0.00 0.04 0.00 0.00 61.00 63.23 3kya s PRO 396 Cb -0.02 -3.34 0.00 0.00 0.04 0.00 0.00 34.50 31.18 3kya s PRO 396 CO 0.61 -0.47 0.00 0.00 0.04 0.00 0.00 177.00 177.19 3kya s GLN 398 N 4.44 3.99 0.10 0.00 0.74 -1.08 -4.56 119.66 123.30 3kya s GLN 398 Ca 0.00 2.32 0.04 0.00 0.05 0.00 0.00 55.36 57.77 3kya s GLN 398 Cb 0.00 -2.83 -0.04 0.00 1.10 0.00 0.00 33.01 31.25 3kya s GLN 398 CO 0.00 -0.53 -0.11 0.20 -0.55 0.00 0.00 175.29 174.30 3kya s GLY 399 N -0.52 0.89 0.01 2.59 0.00 -1.26 -1.71 107.32 107.33 3kya s GLY 399 Ca 0.56 -1.23 -0.03 0.00 0.00 0.00 0.00 44.72 44.01 3kya s GLY 399 CO 0.54 -1.30 0.05 -1.34 0.00 0.00 0.00 173.10 171.05 3kya s VAL 400 N -2.48 0.09 -0.05 1.40 -7.23 0.37 -4.98 120.40 107.52 3kya s VAL 400 Ca 0.07 -0.77 -0.16 0.00 -1.81 0.00 0.00 61.98 59.32 3kya s VAL 400 Cb -0.03 -0.33 -0.05 0.00 0.56 0.00 0.00 36.38 36.53 3kya s VAL 400 CO 0.00 -0.42 0.42 -0.36 -0.31 0.00 0.00 175.10 174.44 3kya s PHE 401 N -1.35 3.64 -0.05 2.82 0.08 -1.26 -0.99 117.98 120.87 3kya s PHE 401 Ca -0.15 0.93 0.01 0.00 0.12 0.00 0.00 56.93 57.85 3kya s PHE 401 Cb -0.08 -2.38 0.02 0.00 -0.57 0.00 0.00 43.02 40.00 3kya s PHE 401 CO 0.00 0.46 -0.07 0.08 -0.10 0.00 0.00 175.22 175.59 3kya s VAL 402 N -0.42 0.76 0.22 -0.44 1.01 0.34 -4.97 120.40 116.91 3kya s VAL 402 Ca 0.24 -0.26 -0.31 0.00 0.00 0.00 0.00 61.98 61.65 3kya s VAL 402 Cb -0.16 -0.74 -0.10 0.00 0.00 0.00 0.00 36.38 35.38 3kya s VAL 402 CO 0.12 0.27 1.49 -0.75 0.00 0.00 0.00 175.10 176.23 3kya s LYS 403 N 0.82 4.24 -0.34 2.72 2.20 -1.26 -1.06 119.74 127.06 3kya s LYS 403 Ca -0.12 2.33 -0.07 0.00 -0.36 0.00 0.00 55.97 57.75 3kya s LYS 403 Cb -0.15 -3.12 0.04 0.00 -1.51 0.00 0.00 37.83 33.09 3kya s LYS 403 CO 0.01 -0.49 0.11 1.21 -0.36 0.00 0.00 175.35 175.84 3kya s ASN 404 N 0.65 5.35 0.64 1.43 3.84 -0.33 -4.87 114.94 121.64 3kya s ASN 404 Ca 0.63 -1.14 0.42 0.00 0.21 0.00 0.00 52.86 52.98 3kya s ASN 404 Cb -0.43 -1.88 2.29 0.00 -0.55 0.00 0.00 41.25 40.68 3kya s ASN 404 CO 0.39 -0.34 2.29 -0.65 -2.79 0.00 0.00 177.10 176.00 3kya h PRO 405 N 8.24 0.00 0.00 0.43 0.11 -1.94 -1.58 132.00 137.26 3kya h PRO 405 Ca -0.23 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.88 3kya h PRO 405 Cb 1.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3kya h PRO 405 CO 0.61 0.00 0.00 -0.44 -0.21 0.00 0.00 178.00 177.96 3kya h ASP 406 N 0.00 0.00 -3.40 -2.05 3.32 -1.95 -3.44 116.42 108.91 3kya h ASP 406 Ca 0.00 0.00 -0.55 0.00 0.02 0.00 0.00 57.03 56.50 3kya h ASP 406 Cb 0.03 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.54 3kya h ASP 406 CO 0.00 0.00 0.17 -0.31 -1.72 0.00 0.00 179.24 177.38 3kya s TYR 407 N -3.37 3.66 -0.11 4.55 2.02 -0.59 -4.96 117.35 118.55 3kya s TYR 407 Ca 0.05 1.42 0.04 0.00 -0.37 0.00 0.00 57.07 58.21 3kya s TYR 407 Cb 0.09 -2.87 -0.05 0.00 -0.40 0.00 0.00 41.96 38.73 3kya s TYR 407 CO 0.54 0.15 0.14 0.25 -1.57 0.00 0.00 175.55 175.06 3kya n THR 408 N 3.38 0.00 -0.15 -0.71 -2.24 -1.26 -4.87 114.28 108.43 3kya n THR 408 Ca -0.01 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.51 3kya n THR 408 Cb 0.51 0.74 0.00 0.00 -2.10 0.00 0.00 70.33 69.48 3kya n THR 408 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kya n GLY 409 N 1.61 0.59 0.22 3.38 0.00 -1.26 -4.95 105.19 104.78 3kya n GLY 409 Ca 0.00 -1.58 0.11 0.00 0.00 0.00 0.00 46.02 44.55 3kya n GLY 409 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3kya h GLU 410 N 0.00 0.00 -4.99 1.61 5.08 -2.06 -3.41 114.58 110.82 3kya h GLU 410 Ca 0.00 0.00 -0.68 0.00 -1.00 0.00 0.00 59.36 57.68 3kya h GLU 410 Cb 0.00 0.00 -0.18 0.00 0.50 0.00 0.00 28.75 29.07 3kya h GLU 410 CO 0.00 0.18 -0.10 -2.00 -1.00 0.00 0.00 179.01 176.09 3kya s GLU 411 N -3.48 3.14 0.00 2.33 2.56 -1.26 -4.92 118.70 117.07 3kya s GLU 411 Ca 0.02 -0.70 0.12 0.00 0.00 0.00 0.00 54.97 54.41 3kya s GLU 411 Cb 0.09 -3.98 0.25 0.00 2.00 0.00 0.00 34.13 32.48 3kya s GLU 411 CO 0.64 -0.94 1.14 0.39 -0.56 0.00 0.00 175.26 175.93 3kya n GLU 412 N 5.81 2.11 -4.23 4.30 1.02 -1.26 -4.62 120.64 123.77 3kya n GLU 412 Ca -0.06 -1.80 -0.20 0.00 -0.02 0.00 0.00 57.16 55.09 3kya n GLU 412 Cb 0.47 -1.27 -0.12 0.00 -0.02 0.00 0.00 31.44 30.50 3kya n GLU 412 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 3kya s TYR 413 N -1.00 1.43 0.41 -0.32 1.51 -1.26 -1.19 117.35 116.93 3kya s TYR 413 Ca 0.21 -0.49 0.08 0.00 -1.01 0.00 0.00 57.07 55.86 3kya s TYR 413 Cb 0.12 -0.77 -0.03 0.00 -0.11 0.00 0.00 41.96 41.16 3kya s TYR 413 CO 0.16 0.13 0.30 -0.51 -1.11 0.00 0.00 175.55 174.53 3kya s ASP 414 N -2.09 4.83 -0.05 2.29 1.01 -0.22 -4.50 116.67 117.94 3kya s ASP 414 Ca 0.05 -0.85 0.05 0.00 0.71 0.00 0.00 52.55 52.50 3kya s ASP 414 Cb -0.08 -0.56 -0.01 0.00 1.01 0.00 0.00 42.92 43.29 3kya s ASP 414 CO 0.03 -0.59 -0.20 0.12 0.21 0.00 0.00 175.17 174.73 3kya s PHE 415 N -2.51 2.01 -0.03 4.23 5.36 -0.57 -0.50 117.98 125.96 3kya s PHE 415 Ca 0.45 -0.60 0.05 0.00 -0.96 0.00 0.00 56.93 55.88 3kya s PHE 415 Cb -0.01 -1.34 -0.01 0.00 -0.34 0.00 0.00 43.02 41.33 3kya s PHE 415 CO 0.26 -0.20 -0.19 0.71 -1.46 0.00 0.00 175.22 174.34 3kya s TYR 416 N -0.02 1.79 0.02 10.12 1.51 -0.16 0.26 117.35 130.88 3kya s TYR 416 Ca -0.04 -0.44 -0.07 0.00 -1.01 0.00 0.00 57.07 55.50 3kya s TYR 416 Cb -0.13 -1.18 -0.00 0.00 -0.11 0.00 0.00 41.96 40.54 3kya s TYR 416 CO 0.03 -0.11 0.14 -0.59 -1.11 0.00 0.00 175.55 173.91 3kya s PHE 417 N -0.20 0.10 -0.20 2.71 -0.71 -0.44 -0.48 117.98 118.76 3kya s PHE 417 Ca 0.01 -0.29 -0.22 0.00 -1.04 0.00 0.00 56.93 55.39 3kya s PHE 417 Cb -0.10 -0.07 -0.02 0.00 -1.21 0.00 0.00 43.02 41.62 3kya s PHE 417 CO 0.01 -0.35 0.70 0.14 -1.34 0.00 0.00 175.22 174.38 3kya s VAL 418 N -2.09 4.96 -0.70 -2.49 -7.23 -0.69 -0.76 120.40 111.39 3kya s VAL 418 Ca -0.09 1.34 -0.15 0.00 -1.81 0.00 0.00 61.98 61.26 3kya s VAL 418 Cb -0.04 -4.01 0.17 0.00 0.56 0.00 0.00 36.38 33.07 3kya s VAL 418 CO -0.02 0.07 0.66 -0.62 -0.31 0.00 0.00 175.10 174.88 3kya s ASP 419 N 1.22 6.50 0.12 4.85 2.15 -0.45 -0.73 116.67 130.33 3kya s ASP 419 Ca 0.32 -2.24 -0.25 0.00 0.43 0.00 0.00 52.55 50.80 3kya s ASP 419 Cb -0.16 -2.22 -0.05 0.00 -0.30 0.00 0.00 42.92 40.19 3kya s ASP 419 CO 0.10 -0.73 1.64 -0.09 -0.17 0.00 0.00 175.17 175.92 3kya h ARG 420 N 8.34 -0.37 -0.02 4.34 2.43 -1.28 -1.93 114.38 125.88 3kya h ARG 420 Ca -0.08 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 3kya h ARG 420 Cb 1.07 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.70 3kya h ARG 420 CO 0.90 -0.25 0.00 1.28 -1.51 0.00 0.00 179.97 180.39 3kya n LEU 421 N -5.37 0.65 -0.81 3.80 4.77 -0.60 -2.63 117.00 116.81 3kya n LEU 421 Ca -0.05 -0.23 0.08 0.00 -0.03 0.00 0.00 56.01 55.79 3kya n LEU 421 Cb 0.28 -0.01 0.15 0.00 -2.33 0.00 0.00 43.42 41.51 3kya n LEU 421 CO 0.22 0.12 0.60 0.59 -1.33 0.00 0.00 177.39 177.59 3kya n ASN 422 N -0.46 2.89 -3.86 -1.43 3.02 -0.77 -5.00 115.26 109.65 3kya n ASN 422 Ca 0.20 -1.85 -0.28 0.00 -0.03 0.00 0.00 54.58 52.63 3kya n ASN 422 Cb 0.21 -0.17 0.03 0.00 -0.61 0.00 0.00 39.78 39.23 3kya n ASN 422 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 3kya n PHE 423 N 0.98 -2.21 -3.82 3.10 3.72 -0.97 -4.84 117.46 113.41 3kya n PHE 423 Ca 0.14 0.89 -0.09 0.00 -0.05 0.00 0.00 57.45 58.34 3kya n PHE 423 Cb 0.47 -4.10 -0.03 0.00 -0.94 0.00 0.00 39.48 34.87 3kya n PHE 423 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3kya s VAL 425 N -3.92 5.35 0.23 0.00 1.01 -0.18 -1.33 120.40 121.56 3kya s VAL 425 Ca 0.12 0.23 0.07 0.00 0.00 0.00 0.00 61.98 62.40 3kya s VAL 425 Cb -0.03 -3.52 -0.04 0.00 0.00 0.00 0.00 36.38 32.80 3kya s VAL 425 CO 0.03 0.35 0.17 -0.13 0.00 0.00 0.00 175.10 175.52 3kya s ARG 426 N 0.98 2.89 -0.03 2.72 1.81 0.06 -0.68 118.95 126.70 3kya s ARG 426 Ca 0.09 -1.02 0.08 0.00 -1.72 0.00 0.00 55.73 53.15 3kya s ARG 426 Cb -0.13 -2.57 -0.02 0.00 -0.45 0.00 0.00 34.95 31.78 3kya s ARG 426 CO 0.04 0.42 -0.26 0.21 -0.68 0.00 0.00 175.30 175.04 3kya s LYS 427 N -3.62 2.16 -0.15 3.54 2.20 -0.53 -1.33 119.74 122.01 3kya s LYS 427 Ca 0.32 -0.92 -0.00 0.00 -0.36 0.00 0.00 55.97 55.01 3kya s LYS 427 Cb -0.08 -2.04 0.04 0.00 -1.51 0.00 0.00 37.83 34.23 3kya s LYS 427 CO 0.24 0.52 -0.07 0.08 -0.36 0.00 0.00 175.35 175.77 3kya s VAL 428 N -0.53 1.15 0.69 4.02 1.01 0.14 -0.93 120.40 125.96 3kya s VAL 428 Ca 0.08 -0.56 -0.11 0.00 0.00 0.00 0.00 61.98 61.38 3kya s VAL 428 Cb -0.11 -1.26 0.01 0.00 0.00 0.00 0.00 36.38 35.02 3kya s VAL 428 CO -0.00 0.21 1.06 0.42 0.00 0.00 0.00 175.10 176.80 3kya s THR 429 N 1.63 3.97 0.57 3.92 -4.23 -0.66 -1.51 115.64 119.32 3kya s THR 429 Ca 0.02 0.64 0.26 0.00 -1.18 0.00 0.00 61.69 61.42 3kya s THR 429 Cb -0.14 -3.50 0.35 0.00 1.34 0.00 0.00 72.50 70.54 3kya s THR 429 CO -0.08 -0.83 2.12 -0.65 -0.54 0.00 0.00 174.62 174.64 3kya h PRO 430 N -0.65 0.00 0.00 3.99 0.11 -1.92 -0.47 132.00 133.06 3kya h PRO 430 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3kya h PRO 430 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3kya h PRO 430 CO 0.60 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.78 3kya n GLU 431 N -4.06 0.02 -0.14 1.05 4.71 -1.26 -4.92 120.64 116.04 3kya n GLU 431 Ca 0.01 0.05 0.00 0.00 -0.01 0.00 0.00 57.16 57.21 3kya n GLU 431 Cb 0.27 -1.53 0.00 0.00 -1.01 0.00 0.00 31.44 29.17 3kya n GLU 431 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3kya n GLY 432 N 1.31 0.92 3.66 0.62 0.00 -0.18 -4.76 105.19 106.76 3kya n GLY 432 Ca 0.06 -0.09 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 3kya n GLY 432 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kya s ILE 433 N -2.00 4.77 -0.19 -0.61 1.01 -1.26 -0.60 121.20 122.33 3kya s ILE 433 Ca 0.00 1.88 -0.08 0.00 0.00 0.00 0.00 60.65 62.44 3kya s ILE 433 Cb 0.00 -4.24 -0.04 0.00 0.01 0.00 0.00 42.46 38.18 3kya s ILE 433 CO 0.00 -0.09 0.09 -0.69 0.00 0.00 0.00 174.94 174.25 3kya s VAL 434 N 2.71 5.04 0.36 2.92 1.01 -0.31 -1.65 120.40 130.47 3kya s VAL 434 Ca 0.42 0.05 0.04 0.00 0.00 0.00 0.00 61.98 62.50 3kya s VAL 434 Cb -0.16 -3.28 -0.03 0.00 0.00 0.00 0.00 36.38 32.91 3kya s VAL 434 CO 0.10 0.46 0.16 -0.94 0.00 0.00 0.00 175.10 174.87 3kya s SER 435 N 0.31 2.23 -0.22 3.32 1.04 -0.11 -2.83 113.70 117.45 3kya s SER 435 Ca 0.05 -1.64 -0.05 0.00 0.48 0.00 0.00 55.95 54.80 3kya s SER 435 Cb -0.12 0.45 -0.02 0.00 0.10 0.00 0.00 66.02 66.43 3kya s SER 435 CO -0.01 -0.92 -0.00 -0.89 0.98 0.00 0.00 173.24 172.40 3kya s THR 436 N -3.37 3.82 -0.18 2.02 2.01 -1.26 -1.45 115.64 117.23 3kya s THR 436 Ca 0.30 -0.35 -0.12 0.00 0.31 0.00 0.00 61.69 61.83 3kya s THR 436 Cb 0.04 -2.74 -0.22 0.00 0.01 0.00 0.00 72.50 69.59 3kya s THR 436 CO 0.17 0.41 0.20 0.00 -0.69 0.00 0.00 174.62 174.71 3kya n TYR 437 N 4.57 0.96 -3.73 4.92 9.36 0.14 -4.90 117.16 128.48 3kya n TYR 437 Ca -0.17 0.29 -0.13 0.00 3.32 0.00 0.00 57.90 61.20 3kya n TYR 437 Cb 0.51 -1.11 -0.10 0.00 -0.63 0.00 0.00 39.34 38.01 3kya n TYR 437 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3kya s ALA 438 N -2.48 -1.01 0.00 2.98 0.00 -1.04 -4.62 121.76 115.59 3kya s ALA 438 Ca -0.27 1.18 0.00 0.00 0.00 0.00 0.00 51.96 52.87 3kya s ALA 438 Cb 0.07 -0.69 0.00 0.00 0.00 0.00 0.00 23.12 22.50 3kya s ALA 438 CO 0.67 -0.20 0.00 0.41 0.00 0.00 0.00 175.76 176.64 3kya n GLY 439 N 3.01 1.38 3.72 0.00 0.00 0.16 -1.00 105.19 112.46 3kya n GLY 439 Ca -0.14 -2.17 -0.26 0.00 0.00 0.00 0.00 46.02 43.44 3kya n GLY 439 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kya n ARG 440 N -0.26 -7.08 -1.71 1.61 1.74 -1.14 -4.62 116.66 105.20 3kya n ARG 440 Ca 0.00 0.74 -0.67 0.00 -0.77 0.00 0.00 57.85 57.16 3kya n ARG 440 Cb 0.00 -5.74 -0.10 0.00 -1.02 0.00 0.00 32.46 25.60 3kya n ARG 440 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kya n GLY 441 N -1.89 0.16 0.17 -0.13 0.00 -0.11 -4.84 105.19 98.55 3kya n GLY 441 Ca 0.02 0.98 -0.10 0.00 0.00 0.00 0.00 46.02 46.93 3kya n GLY 441 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kya h ALA 442 N 4.82 -0.06 -0.18 4.61 0.00 -1.01 -0.49 119.26 126.95 3kya h ALA 442 Ca -0.44 0.04 -0.16 0.00 0.00 0.00 0.00 54.91 54.36 3kya h ALA 442 Cb 1.36 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 19.39 3kya h ALA 442 CO 0.95 -0.59 -0.54 0.66 0.00 0.00 0.00 179.25 179.73 3kya h SER 443 N -0.16 0.60 0.32 0.00 4.64 -1.44 -3.10 113.55 114.41 3kya h SER 443 Ca 0.08 -0.32 -0.24 0.00 -0.47 0.00 0.00 61.79 60.84 3kya h SER 443 Cb 0.28 -0.17 0.01 0.00 -0.31 0.00 0.00 62.40 62.20 3kya h SER 443 CO -0.20 1.02 -1.02 0.71 -0.87 0.00 0.00 176.83 176.48 3kya h THR 444 N 0.42 1.39 -0.93 2.95 1.35 -1.64 -3.08 112.91 113.36 3kya h THR 444 Ca 0.01 -2.51 0.06 0.00 -0.55 0.00 0.00 66.41 63.42 3kya h THR 444 Cb 1.08 2.51 -0.06 0.00 -1.73 0.00 0.00 68.15 69.95 3kya h THR 444 CO 0.10 0.75 0.60 0.28 -0.25 0.00 0.00 175.52 177.01 3kya h SER 445 N 0.23 0.96 -0.27 5.36 0.02 -1.11 -2.70 113.55 116.04 3kya h SER 445 Ca -0.10 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.73 3kya h SER 445 Cb 1.67 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 63.99 3kya h SER 445 CO 0.18 0.63 -0.23 -0.07 -1.14 0.00 0.00 176.83 176.19 3kya h LEU 446 N 1.10 0.76 -0.67 5.07 4.07 -1.52 1.18 115.31 125.29 3kya h LEU 446 Ca 0.39 -0.28 0.06 0.00 0.08 0.00 0.00 57.88 58.13 3kya h LEU 446 Cb 0.14 -0.21 -0.05 0.00 1.08 0.00 0.00 40.66 41.61 3kya h LEU 446 CO -0.14 0.97 0.37 0.00 -1.08 0.00 0.00 178.44 178.56 3kya h ALA 447 N 1.09 0.90 -0.00 1.53 0.00 -1.39 -3.32 119.26 118.06 3kya h ALA 447 Ca 0.09 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3kya h ALA 447 Cb 0.74 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.40 3kya h ALA 447 CO 0.06 0.06 -0.03 -0.40 0.00 0.00 0.00 179.25 178.94 3kya n ASP 448 N -4.78 0.66 0.00 0.00 5.68 -1.16 -5.02 116.55 111.94 3kya n ASP 448 Ca 0.08 -0.83 0.00 0.00 -0.50 0.00 0.00 54.79 53.54 3kya n ASP 448 Cb 0.17 0.44 0.00 0.00 -1.14 0.00 0.00 41.12 40.59 3kya n ASP 448 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3kya n GLY 449 N 0.51 0.65 3.58 6.12 0.00 0.40 -5.03 105.19 111.41 3kya n GLY 449 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 3kya n GLY 449 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3kya s ASN 450 N -2.27 4.80 0.24 1.61 0.01 -1.16 -4.99 114.94 113.18 3kya s ASN 450 Ca 0.00 -0.02 0.26 0.00 -0.71 0.00 0.00 52.86 52.39 3kya s ASN 450 Cb 0.00 -1.40 0.78 0.00 0.41 0.00 0.00 41.25 41.04 3kya s ASN 450 CO 0.00 0.31 1.76 1.56 -1.51 0.00 0.00 177.10 179.22 3kya h GLN 451 N 5.62 0.00 -6.17 -0.60 1.08 -1.96 -3.37 115.11 109.70 3kya h GLN 451 Ca -0.44 0.00 -0.49 0.00 -1.45 0.00 0.00 58.65 56.27 3kya h GLN 451 Cb 1.18 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.59 3kya h GLN 451 CO 0.55 0.00 -0.46 1.67 -0.95 0.00 0.00 178.83 179.65 3kya s TRP 452 N -3.14 3.38 -1.43 2.96 1.48 -1.26 -4.15 118.94 116.78 3kya s TRP 452 Ca 0.10 -0.01 0.00 0.00 -1.06 0.00 0.00 56.10 55.12 3kya s TRP 452 Cb 0.11 -1.55 0.00 0.00 -1.16 0.00 0.00 33.47 30.87 3kya s TRP 452 CO 0.59 0.47 0.00 0.41 -4.06 0.00 0.00 176.95 174.36 3kya n GLY 453 N -1.19 -1.19 0.00 3.67 0.00 -0.25 -4.90 105.19 101.33 3kya n GLY 453 Ca -0.08 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 45.04 3kya n GLY 453 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3kya n THR 454 N 2.57 0.28 -1.89 2.61 -2.24 -1.26 -2.87 114.28 111.48 3kya n THR 454 Ca 0.00 -0.57 -0.41 0.00 -2.27 0.00 0.00 64.05 60.80 3kya n THR 454 Cb 0.00 0.96 -0.01 0.00 -2.10 0.00 0.00 70.33 69.18 3kya n THR 454 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3kya s ASP 455 N -0.28 6.48 0.42 3.42 1.11 -1.24 -4.80 116.67 121.78 3kya s ASP 455 Ca 0.00 2.89 0.03 0.00 0.18 0.00 0.00 52.55 55.66 3kya s ASP 455 Cb 0.00 -2.65 0.00 0.00 1.07 0.00 0.00 42.92 41.34 3kya s ASP 455 CO 0.00 -0.79 0.60 -1.81 1.18 0.00 0.00 175.17 174.35 3kya s ASP 456 N 0.06 5.79 0.00 0.27 1.01 -1.26 -1.45 116.67 121.09 3kya s ASP 456 Ca 0.56 0.01 0.00 0.00 0.71 0.00 0.00 52.55 53.83 3kya s ASP 456 Cb -0.45 -1.25 0.00 0.00 1.01 0.00 0.00 42.92 42.23 3kya s ASP 456 CO 0.54 -0.67 0.00 0.61 0.21 0.00 0.00 175.17 175.86 3kya n GLY 457 N -1.93 0.21 3.63 0.21 0.00 -0.22 -4.31 105.19 102.78 3kya n GLY 457 Ca 0.02 -1.98 -0.51 0.00 0.00 0.00 0.00 46.02 43.55 3kya n GLY 457 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3kya n ASP 458 N 0.00 2.11 -0.29 1.61 -0.08 -1.26 -1.15 116.55 117.49 3kya n ASP 458 Ca 0.00 1.10 0.11 0.00 -1.51 0.00 0.00 54.79 54.49 3kya n ASP 458 Cb 0.00 -1.24 0.27 0.00 2.34 0.00 0.00 41.12 42.49 3kya n ASP 458 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 3kya h LEU 459 N 5.41 0.28 0.00 -2.67 3.38 -1.93 0.53 115.31 120.32 3kya h LEU 459 Ca -0.47 0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.65 3kya h LEU 459 Cb 1.31 0.13 0.00 0.00 0.09 0.00 0.00 40.66 42.20 3kya h LEU 459 CO 0.83 0.02 -1.21 0.54 0.09 0.00 0.00 178.44 178.71 3kya n ARG 460 N -5.05 0.28 -0.01 1.13 5.12 -1.26 -0.66 116.66 116.21 3kya n ARG 460 Ca 0.20 -0.05 -0.02 0.00 -1.93 0.00 0.00 57.85 56.05 3kya n ARG 460 Cb 0.59 -1.11 -0.12 0.00 -1.16 0.00 0.00 32.46 30.66 3kya n ARG 460 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 3kya n GLU 461 N -1.66 0.64 0.01 5.56 -0.58 -1.23 -1.26 120.64 122.12 3kya n GLU 461 Ca -0.01 0.14 0.00 0.00 -0.42 0.00 0.00 57.16 56.87 3kya n GLU 461 Cb 0.13 -1.71 0.00 0.00 -0.57 0.00 0.00 31.44 29.29 3kya n GLU 461 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 3kya n VAL 462 N -2.81 0.03 -1.70 2.62 0.31 -1.02 -1.19 118.33 114.57 3kya n VAL 462 Ca -0.15 0.01 -0.43 0.00 -0.01 0.00 0.00 64.34 63.77 3kya n VAL 462 Cb 0.90 -0.92 -0.01 0.00 -0.91 0.00 0.00 33.84 32.91 3kya n VAL 462 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3kya n ALA 463 N -2.76 1.36 -2.60 3.52 0.00 0.15 -4.28 120.51 115.90 3kya n ALA 463 Ca 0.00 0.37 -0.08 0.00 0.00 0.00 0.00 53.44 53.72 3kya n ALA 463 Cb 0.19 -2.27 -0.10 0.00 0.00 0.00 0.00 19.45 17.27 3kya n ALA 463 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3kya s ARG 464 N -1.72 0.48 0.33 0.00 0.52 -0.53 -0.94 118.95 117.10 3kya s ARG 464 Ca 0.57 -0.86 0.04 0.00 -0.52 0.00 0.00 55.73 54.96 3kya s ARG 464 Cb -0.57 0.17 -0.07 0.00 0.52 0.00 0.00 34.95 35.01 3kya s ARG 464 CO 0.61 -0.09 0.05 -0.06 0.02 0.00 0.00 175.30 175.82 3kya s PHE 465 N -2.61 2.04 0.00 -0.53 0.08 -1.14 -3.71 117.98 112.10 3kya s PHE 465 Ca -0.05 -0.92 0.00 0.00 0.12 0.00 0.00 56.93 56.08 3kya s PHE 465 Cb -0.01 -1.34 0.00 0.00 -0.57 0.00 0.00 43.02 41.09 3kya s PHE 465 CO -0.05 0.07 0.00 0.54 -0.10 0.00 0.00 175.22 175.68 3kya n ARG 466 N -0.72 3.72 -1.68 0.44 1.74 -1.19 -1.09 116.66 117.88 3kya n ARG 466 Ca -0.03 0.00 -0.47 0.00 -0.77 0.00 0.00 57.85 56.59 3kya n ARG 466 Cb 0.67 0.00 -0.04 0.00 -1.02 0.00 0.00 32.46 32.06 3kya n ARG 466 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 3kya n ASP 467 N 0.00 3.44 -4.36 0.55 9.92 -1.26 -4.49 116.55 120.34 3kya n ASP 467 Ca 0.00 1.00 -0.34 0.00 -0.53 0.00 0.00 54.79 54.92 3kya n ASP 467 Cb 0.00 -1.41 -0.14 0.00 -0.64 0.00 0.00 41.12 38.93 3kya n ASP 467 CO 0.00 0.00 0.00 0.68 0.13 0.00 0.00 177.20 178.01 3kya s VAL 468 N 3.15 3.23 0.00 2.53 -7.23 -1.23 -0.52 120.40 120.33 3kya s VAL 468 Ca 0.88 -0.58 0.00 0.00 -1.81 0.00 0.00 61.98 60.47 3kya s VAL 468 Cb -0.66 -2.40 0.00 0.00 0.56 0.00 0.00 36.38 33.88 3kya s VAL 468 CO 0.46 0.49 0.00 -1.54 -0.31 0.00 0.00 175.10 174.20 3kya n SER 469 N 3.94 4.66 -4.47 4.85 3.41 -0.67 -3.67 113.62 121.67 3kya n SER 469 Ca -0.18 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.13 3kya n SER 469 Cb 0.52 0.45 -0.12 0.00 -0.26 0.00 0.00 64.21 64.80 3kya n SER 469 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3kya s GLY 470 N -2.93 1.66 -0.26 5.00 0.00 -1.17 -2.62 107.32 107.00 3kya s GLY 470 Ca 0.00 -1.35 -0.17 0.00 0.00 0.00 0.00 44.72 43.20 3kya s GLY 470 CO 0.00 -1.31 0.66 -2.27 0.00 0.00 0.00 173.10 170.18 3kya s LEU 471 N -2.03 -0.79 0.05 0.66 2.96 -1.26 -0.80 118.68 117.48 3kya s LEU 471 Ca 0.17 1.43 -0.01 0.00 -0.22 0.00 0.00 54.13 55.50 3kya s LEU 471 Cb -0.10 2.28 -0.04 0.00 0.50 0.00 0.00 46.19 48.83 3kya s LEU 471 CO 0.09 -0.24 -0.03 0.68 -1.32 0.00 0.00 176.35 175.53 3kya s VAL 472 N 1.33 0.27 -0.07 1.68 -7.23 -0.57 -4.70 120.40 111.11 3kya s VAL 472 Ca -0.08 -1.76 0.01 0.00 -1.81 0.00 0.00 61.98 58.34 3kya s VAL 472 Cb -0.05 -1.45 0.02 0.00 0.56 0.00 0.00 36.38 35.46 3kya s VAL 472 CO -0.15 -0.95 -0.06 -0.47 -0.31 0.00 0.00 175.10 173.16 3kya s TYR 473 N -3.70 1.05 -0.43 2.82 5.04 -1.26 -1.44 117.35 119.43 3kya s TYR 473 Ca 0.06 -0.38 -0.23 0.00 -2.44 0.00 0.00 57.07 54.08 3kya s TYR 473 Cb 0.06 -0.89 0.02 0.00 0.35 0.00 0.00 41.96 41.51 3kya s TYR 473 CO -0.09 -0.29 0.78 0.34 -1.34 0.00 0.00 175.55 174.95 3kya s ASP 474 N 1.12 6.43 0.00 4.32 -1.08 -1.26 -4.94 116.67 121.26 3kya s ASP 474 Ca -0.07 -0.03 0.25 0.00 -0.52 0.00 0.00 52.55 52.18 3kya s ASP 474 Cb -0.14 -2.38 1.46 0.00 -1.46 0.00 0.00 42.92 40.40 3kya s ASP 474 CO -0.01 -0.87 1.92 -0.90 0.52 0.00 0.00 175.17 175.83 3kya n ASP 475 N 6.63 0.00 -0.09 -0.34 5.75 -1.26 -0.54 116.55 126.70 3kya n ASP 475 Ca 0.02 -1.16 -0.20 0.00 -0.01 0.00 0.00 54.79 53.44 3kya n ASP 475 Cb 0.48 0.00 -0.07 0.00 -1.03 0.00 0.00 41.12 40.51 3kya n ASP 475 CO 0.00 0.00 0.00 0.52 -0.11 0.00 0.00 177.20 177.61 3kya n VAL 476 N -0.90 1.02 0.66 2.12 0.31 -1.26 -4.50 118.33 115.78 3kya n VAL 476 Ca 0.18 -0.25 0.12 0.00 -0.01 0.00 0.00 64.34 64.39 3kya n VAL 476 Cb 0.08 -1.76 0.47 0.00 -0.91 0.00 0.00 33.84 31.72 3kya n VAL 476 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 3kya n LYS 477 N -3.83 0.13 -2.89 5.55 5.02 -1.24 -5.26 118.16 115.64 3kya n LYS 477 Ca -0.36 0.21 -0.06 0.00 -2.02 0.00 0.00 58.31 56.08 3kya n LYS 477 Cb 0.75 -1.68 0.01 0.00 -0.02 0.00 0.00 35.03 34.09 3kya n LYS 477 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3kya n GLU 478 N -1.91 -2.62 -4.03 1.97 1.02 0.30 -5.05 120.64 110.32 3kya n GLU 478 Ca 0.05 2.22 -0.12 0.00 -0.02 0.00 0.00 57.16 59.29 3kya n GLU 478 Cb 0.31 -4.69 -0.12 0.00 -0.02 0.00 0.00 31.44 26.92 3kya n GLU 478 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 3kya s PHE 480 N -1.88 0.43 -0.08 -0.32 0.40 -0.29 -4.80 117.98 111.45 3kya s PHE 480 Ca 0.12 -0.37 0.02 0.00 -0.60 0.00 0.00 56.93 56.10 3kya s PHE 480 Cb -0.03 -0.27 -0.02 0.00 0.51 0.00 0.00 43.02 43.21 3kya s PHE 480 CO 0.70 -0.09 -0.14 0.71 0.70 0.00 0.00 175.22 177.10 3kya s TYR 481 N -1.00 2.74 -0.05 0.36 2.02 -0.52 -1.41 117.35 119.50 3kya s TYR 481 Ca -0.08 -0.35 0.04 0.00 -0.37 0.00 0.00 57.07 56.31 3kya s TYR 481 Cb -0.07 -1.71 -0.00 0.00 -0.40 0.00 0.00 41.96 39.77 3kya s TYR 481 CO -0.00 0.03 -0.18 0.08 -1.57 0.00 0.00 175.55 173.91 3kya s VAL 482 N -0.31 1.51 -0.47 0.71 1.01 -0.05 -1.52 120.40 121.29 3kya s VAL 482 Ca 0.03 -0.75 -0.19 0.00 0.00 0.00 0.00 61.98 61.07 3kya s VAL 482 Cb -0.13 -1.30 0.04 0.00 0.00 0.00 0.00 36.38 34.99 3kya s VAL 482 CO 0.03 0.43 0.57 -2.28 0.00 0.00 0.00 175.10 173.85 3kya s HIS 483 N 0.10 3.09 -0.89 5.22 2.46 0.02 -0.72 115.29 124.57 3kya s HIS 483 Ca -0.06 -0.45 -0.17 0.00 0.47 0.00 0.00 55.06 54.86 3kya s HIS 483 Cb -0.13 -3.33 0.17 0.00 -0.13 0.00 0.00 32.58 29.17 3kya s HIS 483 CO 0.03 -0.91 0.98 0.34 -2.47 0.00 0.00 174.74 172.71 3kya s ASP 484 N 2.36 6.70 0.17 9.88 -1.08 0.07 -1.67 116.67 133.10 3kya s ASP 484 Ca 0.15 -2.35 -0.20 0.00 -0.52 0.00 0.00 52.55 49.63 3kya s ASP 484 Cb -0.18 -2.32 0.10 0.00 -1.46 0.00 0.00 42.92 39.06 3kya s ASP 484 CO 0.13 -0.84 1.62 -0.61 0.52 0.00 0.00 175.17 175.99 3kya h GLN 485 N 8.34 -0.15 0.00 4.34 4.15 -1.03 0.46 115.11 131.22 3kya h GLN 485 Ca 0.14 0.01 -0.15 0.00 0.77 0.00 0.00 58.65 59.42 3kya h GLN 485 Cb 1.03 0.03 -0.03 0.00 0.21 0.00 0.00 27.48 28.73 3kya h GLN 485 CO 0.96 -0.10 -1.08 0.28 -1.93 0.00 0.00 178.83 176.95 3kya h VAL 486 N -0.16 0.72 0.00 2.39 2.07 -1.81 -3.03 116.25 116.43 3kya h VAL 486 Ca 0.19 -2.20 0.00 0.00 0.82 0.00 0.00 66.70 65.52 3kya h VAL 486 Cb 0.46 2.24 0.00 0.00 -1.52 0.00 0.00 31.29 32.47 3kya h VAL 486 CO -0.50 0.41 0.00 1.23 0.02 0.00 0.00 177.57 178.73 3kya h GLY 487 N 3.58 0.00 -5.23 2.17 0.00 -1.79 -3.47 103.07 98.34 3kya h GLY 487 Ca -0.10 0.00 -0.37 0.00 0.00 0.00 0.00 47.33 46.86 3kya h GLY 487 CO 0.06 0.00 -0.61 1.42 0.00 0.00 0.00 176.54 177.41 3kya n HIS 488 N -2.60 -2.52 -4.15 5.60 -0.00 0.09 -4.26 115.22 107.38 3kya n HIS 488 Ca 0.02 0.86 -0.10 0.00 -0.00 0.00 0.00 57.72 58.50 3kya n HIS 488 Cb 0.30 -4.64 -0.10 0.00 -0.00 0.00 0.00 29.99 25.55 3kya n HIS 488 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.34 177.29 3kya s THR 489 N -3.27 0.60 -0.24 1.59 -4.23 -0.82 -3.31 115.64 105.96 3kya s THR 489 Ca 0.50 -1.84 -0.08 0.00 -1.18 0.00 0.00 61.69 59.08 3kya s THR 489 Cb -0.22 -1.56 -0.04 0.00 1.34 0.00 0.00 72.50 72.02 3kya s THR 489 CO 0.61 -0.85 0.10 -0.63 -0.54 0.00 0.00 174.62 173.31 3kya s ILE 490 N -3.49 4.75 0.26 2.99 -1.09 -0.58 -0.75 121.20 123.31 3kya s ILE 490 Ca 0.09 -0.03 0.07 0.00 -2.23 0.00 0.00 60.65 58.56 3kya s ILE 490 Cb 0.04 -3.21 -0.04 0.00 -1.58 0.00 0.00 42.46 37.67 3kya s ILE 490 CO -0.05 0.35 0.19 -0.13 -1.23 0.00 0.00 174.94 174.07 3kya s ARG 491 N 1.31 2.85 0.15 2.79 1.81 0.10 -0.62 118.95 127.35 3kya s ARG 491 Ca 0.06 -1.11 0.10 0.00 -1.72 0.00 0.00 55.73 53.05 3kya s ARG 491 Cb -0.15 -2.52 -0.04 0.00 -0.45 0.00 0.00 34.95 31.79 3kya s ARG 491 CO 0.05 0.36 -0.22 0.95 -0.68 0.00 0.00 175.30 175.76 3kya s THR 492 N -2.17 1.99 -0.18 0.02 -4.23 -0.31 -0.87 115.64 109.89 3kya s THR 492 Ca 0.34 -1.80 -0.00 0.00 -1.18 0.00 0.00 61.69 59.04 3kya s THR 492 Cb -0.07 -1.85 0.04 0.00 1.34 0.00 0.00 72.50 71.96 3kya s THR 492 CO 0.25 -0.12 -0.06 -0.63 -0.54 0.00 0.00 174.62 173.52 3kya s ILE 493 N -1.51 1.20 0.00 2.99 1.01 -0.50 -0.47 121.20 123.91 3kya s ILE 493 Ca 0.14 -0.72 0.00 0.00 0.00 0.00 0.00 60.65 60.06 3kya s ILE 493 Cb -0.08 -1.38 0.00 0.00 0.01 0.00 0.00 42.46 41.01 3kya s ILE 493 CO 0.06 0.11 0.00 -1.54 0.00 0.00 0.00 174.94 173.57 3kya n SER 494 N 4.84 0.00 -4.56 3.58 3.41 -0.74 -1.13 113.62 119.02 3kya n SER 494 Ca -0.12 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.20 3kya n SER 494 Cb 0.47 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.32 3kya n SER 494 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 3kya s GLU 496 N 0.83 2.04 0.03 4.33 -1.05 -0.63 -0.37 118.70 123.88 3kya s GLU 496 Ca 0.00 -1.13 0.04 0.00 -0.15 0.00 0.00 54.97 53.73 3kya s GLU 496 Cb 0.00 -2.23 -0.02 0.00 -0.44 0.00 0.00 34.13 31.45 3kya s GLU 496 CO 0.00 0.48 -0.11 -0.65 0.95 0.00 0.00 175.26 175.93 3kya s GLN 497 N -2.39 0.77 -0.26 -4.83 -0.21 -1.26 -4.88 119.66 106.60 3kya s GLN 497 Ca 0.22 -0.62 -0.29 0.00 0.02 0.00 0.00 55.36 54.69 3kya s GLN 497 Cb -0.10 -0.73 -0.00 0.00 1.00 0.00 0.00 33.01 33.17 3kya s GLN 497 CO 0.13 0.18 1.30 -2.00 -2.12 0.00 0.00 175.29 172.79 3kya s GLU 498 N -0.93 3.99 0.00 2.91 2.12 -1.26 -5.15 118.70 120.38 3kya s GLU 498 Ca -0.00 1.36 0.11 0.00 0.36 0.00 0.00 54.97 56.80 3kya s GLU 498 Cb -0.07 -3.85 0.63 0.00 0.26 0.00 0.00 34.13 31.10 3kya s GLU 498 CO 0.01 -1.02 1.07 -0.85 -0.54 0.00 0.00 175.26 173.92