#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kya s ILE 2 N 0.00 4.92 0.27 -0.61 -4.36 -1.13 -4.86 121.20 115.44 1kya s ILE 2 Ca 0.00 -0.46 -0.07 0.00 -0.26 0.00 0.00 60.65 59.86 1kya s ILE 2 Cb 0.00 -4.24 -0.05 0.00 1.25 0.00 0.00 42.46 39.41 1kya s ILE 2 CO 0.00 -0.72 -0.40 0.61 0.24 0.00 0.00 174.94 174.67 1kya n GLY 3 N 5.15 -0.90 0.53 6.27 0.00 -1.26 -3.64 105.19 111.34 1kya n GLY 3 Ca -0.07 -0.06 0.35 0.00 0.00 0.00 0.00 46.02 46.25 1kya n GLY 3 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1kya h PRO 4 N -0.27 0.00 -5.09 1.61 0.11 -1.86 -3.37 132.00 123.13 1kya h PRO 4 Ca -0.11 -0.00 -0.66 0.00 0.11 0.00 0.00 66.00 65.34 1kya h PRO 4 Cb 0.38 -0.00 -0.27 0.00 0.11 0.00 0.00 31.00 31.22 1kya h PRO 4 CO 0.06 0.00 -0.73 0.14 -0.21 0.00 0.00 178.00 177.26 1kya s VAL 5 N -4.95 3.32 0.03 3.15 -7.23 -1.26 -1.14 120.40 112.32 1kya s VAL 5 Ca -0.05 -0.52 -0.28 0.00 -1.81 0.00 0.00 61.98 59.32 1kya s VAL 5 Cb 0.23 -2.48 0.10 0.00 0.56 0.00 0.00 36.38 34.78 1kya s VAL 5 CO 0.81 0.45 0.87 0.00 -0.31 0.00 0.00 175.10 176.92 1kya s ALA 6 N 1.16 -1.78 -0.12 1.32 0.00 -0.80 -5.00 121.76 116.54 1kya s ALA 6 Ca 0.02 0.87 -0.07 0.00 0.00 0.00 0.00 51.96 52.78 1kya s ALA 6 Cb -0.14 0.48 -0.04 0.00 0.00 0.00 0.00 23.12 23.42 1kya s ALA 6 CO -0.01 -0.73 0.13 -0.51 0.00 0.00 0.00 175.76 174.63 1kya s ASP 7 N -2.56 6.30 -0.42 0.00 1.01 -1.26 -1.04 116.67 118.71 1kya s ASP 7 Ca 0.05 0.44 0.03 0.00 0.71 0.00 0.00 52.55 53.79 1kya s ASP 7 Cb -0.01 -2.03 0.12 0.00 1.01 0.00 0.00 42.92 42.01 1kya s ASP 7 CO -0.08 0.40 0.17 -0.76 0.21 0.00 0.00 175.17 175.11 1kya s LEU 8 N -0.99 3.86 -0.38 1.23 1.43 0.12 -4.92 118.68 119.02 1kya s LEU 8 Ca 0.15 -2.50 -0.25 0.00 -1.03 0.00 0.00 54.13 50.50 1kya s LEU 8 Cb -0.12 -1.42 0.02 0.00 0.03 0.00 0.00 46.19 44.70 1kya s LEU 8 CO 0.04 -0.31 0.87 -0.89 0.23 0.00 0.00 176.35 176.29 1kya s THR 9 N 0.45 4.62 -0.19 5.49 2.01 -1.26 -0.53 115.64 126.23 1kya s THR 9 Ca 0.14 0.99 -0.16 0.00 0.31 0.00 0.00 61.69 62.98 1kya s THR 9 Cb -0.22 -4.31 -0.04 0.00 0.01 0.00 0.00 72.50 67.94 1kya s THR 9 CO -0.06 -0.56 0.38 -0.63 -0.69 0.00 0.00 174.62 173.07 1kya s ILE 10 N 3.39 5.22 0.30 1.82 -1.09 0.19 -1.14 121.20 129.88 1kya s ILE 10 Ca 0.35 0.70 -0.02 0.00 -2.23 0.00 0.00 60.65 59.45 1kya s ILE 10 Cb -0.12 -3.72 -0.01 0.00 -1.58 0.00 0.00 42.46 37.03 1kya s ILE 10 CO 0.19 0.29 0.37 0.42 -1.23 0.00 0.00 174.94 174.98 1kya s THR 11 N 1.08 0.00 0.06 2.92 -4.23 -0.49 -0.40 115.64 114.58 1kya s THR 11 Ca 0.19 -1.72 0.01 0.00 -1.18 0.00 0.00 61.69 58.99 1kya s THR 11 Cb -0.14 -2.52 -0.04 0.00 1.34 0.00 0.00 72.50 71.14 1kya s THR 11 CO 0.07 0.00 0.12 0.20 -0.54 0.00 0.00 174.62 174.48 1kya s ASN 12 N -3.21 5.84 -0.15 3.99 0.02 -1.26 0.10 114.94 120.27 1kya s ASN 12 Ca 0.33 0.11 -0.30 0.00 -1.02 0.00 0.00 52.86 51.99 1kya s ASN 12 Cb 0.01 -1.67 0.11 0.00 0.02 0.00 0.00 41.25 39.72 1kya s ASN 12 CO 0.18 0.19 0.92 0.00 0.02 0.00 0.00 177.10 178.42 1kya s ALA 13 N -1.39 -1.90 0.28 0.60 0.00 -0.75 -4.89 121.76 113.71 1kya s ALA 13 Ca 0.30 1.56 -0.29 0.00 0.00 0.00 0.00 51.96 53.53 1kya s ALA 13 Cb -0.12 -0.63 -0.09 0.00 0.00 0.00 0.00 23.12 22.27 1kya s ALA 13 CO 0.23 -0.32 1.07 0.00 0.00 0.00 0.00 175.76 176.74 1kya s ALA 14 N -0.97 3.38 0.12 0.00 0.00 -1.26 -1.21 121.76 121.81 1kya s ALA 14 Ca -0.03 0.85 -0.10 0.00 0.00 0.00 0.00 51.96 52.68 1kya s ALA 14 Cb -0.01 -3.31 0.00 0.00 0.00 0.00 0.00 23.12 19.81 1kya s ALA 14 CO 0.03 -0.11 0.25 0.54 0.00 0.00 0.00 175.76 176.47 1kya s VAL 15 N -1.19 0.11 -0.42 0.00 0.11 0.46 -4.91 120.40 114.56 1kya s VAL 15 Ca 0.45 -1.17 0.08 0.00 -2.93 0.00 0.00 61.98 58.41 1kya s VAL 15 Cb -0.31 -1.48 0.32 0.00 -1.53 0.00 0.00 36.38 33.38 1kya s VAL 15 CO 0.39 -0.49 0.91 -1.54 -3.33 0.00 0.00 175.10 171.04 1kya n SER 16 N -0.13 -1.02 0.25 3.54 3.41 -1.26 -0.57 113.62 117.83 1kya n SER 16 Ca -0.13 -3.34 0.17 0.00 -0.26 0.00 0.00 58.87 55.31 1kya n SER 16 Cb 0.63 0.79 0.89 0.00 -0.26 0.00 0.00 64.21 66.25 1kya n SER 16 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 1kya h PRO 17 N 3.15 0.00 -0.18 4.33 0.13 -1.82 -1.62 132.00 135.99 1kya h PRO 17 Ca -0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 1kya h PRO 17 Cb 1.03 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.16 1kya h PRO 17 CO 0.31 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 177.68 1kya n ASP 18 N -3.71 2.56 0.00 1.44 5.75 -1.26 -2.83 116.55 118.50 1kya n ASP 18 Ca -0.00 -2.11 0.00 0.00 -0.01 0.00 0.00 54.79 52.67 1kya n ASP 18 Cb 0.23 -0.16 0.00 0.00 -1.03 0.00 0.00 41.12 40.16 1kya n ASP 18 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1kya n GLY 19 N -0.06 2.11 3.63 6.12 0.00 -0.61 -4.34 105.19 112.04 1kya n GLY 19 Ca 0.07 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.71 1kya n GLY 19 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1kya s PHE 20 N -2.60 3.29 0.04 1.61 5.36 -1.26 -4.98 117.98 119.44 1kya s PHE 20 Ca 0.00 0.38 -0.30 0.00 -0.96 0.00 0.00 56.93 56.05 1kya s PHE 20 Cb 0.00 -2.47 -0.04 0.00 -0.34 0.00 0.00 43.02 40.17 1kya s PHE 20 CO 0.00 -0.10 1.05 0.45 -1.46 0.00 0.00 175.22 175.16 1kya s SER 21 N 1.38 7.29 -0.13 6.13 0.15 -1.26 -4.07 113.70 123.20 1kya s SER 21 Ca 0.13 1.81 -0.26 0.00 0.70 0.00 0.00 55.95 58.33 1kya s SER 21 Cb -0.15 -2.58 0.06 0.00 -1.71 0.00 0.00 66.02 61.65 1kya s SER 21 CO 0.08 -0.30 0.65 0.00 1.20 0.00 0.00 173.24 174.87 1kya s ARG 22 N 0.82 0.91 0.48 5.44 1.04 0.26 -4.92 118.95 122.98 1kya s ARG 22 Ca 0.53 0.51 -0.22 0.00 -1.04 0.00 0.00 55.73 55.51 1kya s ARG 22 Cb -0.24 0.43 -0.07 0.00 -2.04 0.00 0.00 34.95 33.03 1kya s ARG 22 CO 0.29 -0.22 1.17 -0.65 -0.04 0.00 0.00 175.30 175.85 1kya s GLN 23 N -0.54 3.63 0.37 3.89 -1.52 -1.26 -0.40 119.66 123.82 1kya s GLN 23 Ca -0.06 1.76 -0.15 0.00 -1.95 0.00 0.00 55.36 54.96 1kya s GLN 23 Cb -0.02 -2.30 0.04 0.00 -0.22 0.00 0.00 33.01 30.51 1kya s GLN 23 CO 0.06 -0.66 0.74 0.00 -0.25 0.00 0.00 175.29 175.17 1kya s ALA 24 N -1.58 -0.59 -0.24 6.09 0.00 -0.35 -4.89 121.76 120.19 1kya s ALA 24 Ca 0.66 -0.80 -0.15 0.00 0.00 0.00 0.00 51.96 51.67 1kya s ALA 24 Cb -0.28 0.76 -0.04 0.00 0.00 0.00 0.00 23.12 23.56 1kya s ALA 24 CO 0.33 -0.97 0.35 0.08 0.00 0.00 0.00 175.76 175.56 1kya s VAL 25 N -2.61 5.21 0.11 0.00 1.01 -0.26 -1.81 120.40 122.05 1kya s VAL 25 Ca 0.17 0.55 0.10 0.00 0.00 0.00 0.00 61.98 62.81 1kya s VAL 25 Cb -0.05 -3.68 -0.04 0.00 0.00 0.00 0.00 36.38 32.62 1kya s VAL 25 CO 0.12 0.21 -0.26 -0.69 0.00 0.00 0.00 175.10 174.48 1kya s VAL 26 N 1.70 2.30 -0.24 2.92 1.01 0.11 -3.43 120.40 124.78 1kya s VAL 26 Ca 0.15 -1.64 -0.03 0.00 0.00 0.00 0.00 61.98 60.46 1kya s VAL 26 Cb -0.15 -2.00 0.01 0.00 0.00 0.00 0.00 36.38 34.24 1kya s VAL 26 CO 0.09 0.16 -0.04 -0.69 0.00 0.00 0.00 175.10 174.61 1kya s VAL 27 N -1.01 3.21 -1.30 2.92 1.01 0.14 -1.39 120.40 123.98 1kya s VAL 27 Ca 0.14 -0.74 -0.04 0.00 0.00 0.00 0.00 61.98 61.34 1kya s VAL 27 Cb -0.10 -2.55 0.03 0.00 0.00 0.00 0.00 36.38 33.75 1kya s VAL 27 CO 0.06 0.30 0.29 0.59 0.00 0.00 0.00 175.10 176.33 1kya n ASN 28 N 4.75 -4.49 0.00 3.32 4.13 -0.29 -1.87 115.26 120.81 1kya n ASN 28 Ca -0.17 -0.12 0.00 0.00 1.68 0.00 0.00 54.58 55.97 1kya n ASN 28 Cb 0.49 -3.72 0.00 0.00 -1.54 0.00 0.00 39.78 35.01 1kya n ASN 28 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1kya n GLY 29 N -1.10 3.33 3.24 7.41 0.00 -1.26 -5.02 105.19 111.79 1kya n GLY 29 Ca -0.10 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.71 1kya n GLY 29 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1kya s GLY 30 N -2.89 1.07 -0.01 -0.02 0.00 -0.78 -4.99 107.32 99.71 1kya s GLY 30 Ca 0.00 -1.19 -0.04 0.00 0.00 0.00 0.00 44.72 43.50 1kya s GLY 30 CO 0.00 -1.22 0.50 -0.84 0.00 0.00 0.00 173.10 171.55 1kya h THR 31 N 3.95 0.00 -1.52 0.90 2.02 -1.83 0.41 112.91 116.85 1kya h THR 31 Ca -0.42 -0.11 -0.48 0.00 0.77 0.00 0.00 66.41 66.16 1kya h THR 31 Cb 1.19 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.60 1kya h THR 31 CO 0.43 0.00 1.63 -2.65 0.37 0.00 0.00 175.52 175.30 1kya n PRO 32 N -2.66 1.06 -0.78 6.66 -0.02 -1.26 -4.15 135.00 133.85 1kya n PRO 32 Ca -0.02 0.05 -0.33 0.00 -2.02 0.00 0.00 63.50 61.19 1kya n PRO 32 Cb 0.05 -3.28 0.13 0.00 -0.02 0.00 0.00 33.50 30.38 1kya n PRO 32 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1kya n GLY 33 N 6.03 -2.37 3.76 -1.23 0.00 0.37 -4.90 105.19 106.85 1kya n GLY 33 Ca 0.38 -0.75 -0.40 0.00 0.00 0.00 0.00 46.02 45.25 1kya n GLY 33 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1kya n PRO 34 N -1.41 2.34 -2.04 1.61 -0.02 -1.26 -4.32 135.00 129.89 1kya n PRO 34 Ca 0.04 0.83 -0.42 0.00 -2.02 0.00 0.00 63.50 61.93 1kya n PRO 34 Cb 0.57 -2.63 -0.03 0.00 -0.02 0.00 0.00 33.50 31.39 1kya n PRO 34 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1kya s LEU 35 N -2.47 4.33 -0.18 2.45 2.96 -1.26 -4.44 118.68 120.07 1kya s LEU 35 Ca 0.59 2.29 -0.09 0.00 -0.22 0.00 0.00 54.13 56.70 1kya s LEU 35 Cb -0.46 -3.55 -0.05 0.00 0.50 0.00 0.00 46.19 42.63 1kya s LEU 35 CO 0.59 -0.85 0.14 -0.63 -1.32 0.00 0.00 176.35 174.27 1kya s ILE 36 N 3.06 5.43 0.16 6.68 1.01 -0.46 -2.82 121.20 134.26 1kya s ILE 36 Ca 0.71 0.20 0.01 0.00 0.00 0.00 0.00 60.65 61.57 1kya s ILE 36 Cb -0.35 -3.46 -0.04 0.00 0.01 0.00 0.00 42.46 38.62 1kya s ILE 36 CO 0.30 0.48 0.02 0.42 0.00 0.00 0.00 174.94 176.15 1kya s THR 37 N 0.06 0.49 -0.07 2.92 -4.23 -1.24 -0.27 115.64 113.30 1kya s THR 37 Ca 0.10 -1.95 -0.31 0.00 -1.18 0.00 0.00 61.69 58.34 1kya s THR 37 Cb -0.11 -2.08 0.12 0.00 1.34 0.00 0.00 72.50 71.77 1kya s THR 37 CO -0.01 -0.49 1.38 -0.83 -0.54 0.00 0.00 174.62 174.13 1kya s GLY 38 N -3.13 -0.33 0.17 3.99 0.00 -0.93 -3.15 107.32 103.94 1kya s GLY 38 Ca 0.23 0.50 0.06 0.00 0.00 0.00 0.00 44.72 45.51 1kya s GLY 38 CO 0.03 3.47 0.09 -1.31 0.00 0.00 0.00 173.10 175.37 1kya s ASN 39 N -3.47 5.24 0.15 1.64 0.01 -1.26 -0.51 114.94 116.73 1kya s ASN 39 Ca 0.23 -0.24 -0.34 0.00 -0.71 0.00 0.00 52.86 51.81 1kya s ASN 39 Cb 0.03 -1.28 -0.15 0.00 0.41 0.00 0.00 41.25 40.27 1kya s ASN 39 CO -0.04 0.07 1.47 0.80 -1.51 0.00 0.00 177.10 177.89 1kya n MET 40 N -0.30 1.80 0.00 -0.60 0.00 0.49 -0.72 117.12 117.79 1kya n MET 40 Ca -0.09 0.65 0.00 0.00 -0.00 0.00 0.00 57.70 58.26 1kya n MET 40 Cb 0.55 -2.36 0.00 0.00 0.00 0.00 0.00 33.22 31.41 1kya n MET 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1kya n GLY 41 N 2.96 3.40 3.77 -5.12 0.00 0.10 -4.95 105.19 105.34 1kya n GLY 41 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 1kya n GLY 41 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1kya n ASP 42 N 0.00 3.69 -4.72 1.61 9.92 0.10 -4.56 116.55 122.59 1kya n ASP 42 Ca 0.00 1.22 -0.40 0.00 -0.53 0.00 0.00 54.79 55.08 1kya n ASP 42 Cb 0.00 -1.61 -0.05 0.00 -0.64 0.00 0.00 41.12 38.82 1kya n ASP 42 CO 0.00 0.00 0.00 -0.60 0.13 0.00 0.00 177.20 176.73 1kya s ARG 43 N -2.11 4.44 -0.16 -1.24 3.52 -1.26 -2.36 118.95 119.76 1kya s ARG 43 Ca 0.54 0.89 -0.06 0.00 -0.13 0.00 0.00 55.73 56.97 1kya s ARG 43 Cb -0.48 -3.43 -0.04 0.00 -1.56 0.00 0.00 34.95 29.44 1kya s ARG 43 CO 0.63 0.11 0.04 -0.06 -0.81 0.00 0.00 175.30 175.21 1kya s PHE 44 N 0.64 3.20 -0.46 5.12 0.40 0.29 -4.68 117.98 122.50 1kya s PHE 44 Ca 0.37 0.02 0.02 0.00 -0.60 0.00 0.00 56.93 56.74 1kya s PHE 44 Cb -0.18 -2.02 0.14 0.00 0.51 0.00 0.00 43.02 41.47 1kya s PHE 44 CO 0.19 0.16 0.26 -0.65 0.70 0.00 0.00 175.22 175.88 1kya s GLN 45 N 0.20 1.35 -0.41 0.44 -0.21 -0.29 -1.15 119.66 119.59 1kya s GLN 45 Ca 0.03 -2.11 -0.14 0.00 0.02 0.00 0.00 55.36 53.16 1kya s GLN 45 Cb -0.13 -2.37 0.03 0.00 1.00 0.00 0.00 33.01 31.54 1kya s GLN 45 CO 0.01 -1.18 0.28 -0.51 -2.12 0.00 0.00 175.29 171.77 1kya s LEU 46 N 0.21 5.06 -0.44 2.90 1.43 0.12 -1.90 118.68 126.05 1kya s LEU 46 Ca 0.19 -1.01 -0.22 0.00 -1.03 0.00 0.00 54.13 52.06 1kya s LEU 46 Cb -0.21 -2.11 0.02 0.00 0.03 0.00 0.00 46.19 43.92 1kya s LEU 46 CO -0.02 -0.46 0.71 0.21 0.23 0.00 0.00 176.35 177.02 1kya s ASN 47 N 1.77 6.37 -0.44 2.29 2.47 -0.21 -0.90 114.94 126.29 1kya s ASN 47 Ca 0.04 -0.21 -0.22 0.00 0.42 0.00 0.00 52.86 52.89 1kya s ASN 47 Cb -0.20 -2.35 0.02 0.00 -1.45 0.00 0.00 41.25 37.27 1kya s ASN 47 CO 0.08 -0.84 0.71 -0.69 -3.72 0.00 0.00 177.10 172.64 1kya s VAL 48 N 3.04 4.75 -0.41 -5.21 1.01 -0.18 0.11 120.40 123.51 1kya s VAL 48 Ca 0.26 0.30 -0.15 0.00 0.00 0.00 0.00 61.98 62.38 1kya s VAL 48 Cb -0.13 -4.25 0.02 0.00 0.00 0.00 0.00 36.38 32.02 1kya s VAL 48 CO 0.21 -0.63 0.33 -0.63 0.00 0.00 0.00 175.10 174.38 1kya s ILE 49 N 3.02 5.23 -0.61 2.22 1.01 0.31 -1.61 121.20 130.78 1kya s ILE 49 Ca 0.26 -0.62 -0.23 0.00 0.00 0.00 0.00 60.65 60.06 1kya s ILE 49 Cb -0.13 -3.96 0.06 0.00 0.01 0.00 0.00 42.46 38.44 1kya s ILE 49 CO 0.20 -0.34 0.92 -0.62 0.00 0.00 0.00 174.94 175.10 1kya s ASP 50 N 1.74 6.23 -0.30 3.58 3.68 -0.42 0.53 116.67 131.73 1kya s ASP 50 Ca 0.06 -0.77 0.07 0.00 2.13 0.00 0.00 52.55 54.05 1kya s ASP 50 Cb -0.19 -2.41 0.45 0.00 -1.45 0.00 0.00 42.92 39.32 1kya s ASP 50 CO 0.11 -1.31 1.26 0.59 0.13 0.00 0.00 175.17 175.95 1kya n ASN 51 N 7.46 4.26 -4.79 -0.34 3.02 0.46 -0.29 115.26 125.03 1kya n ASN 51 Ca -0.02 -3.79 -0.33 0.00 -0.03 0.00 0.00 54.58 50.40 1kya n ASN 51 Cb 0.46 -0.44 0.00 0.00 -0.61 0.00 0.00 39.78 39.20 1kya n ASN 51 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1kya s LEU 52 N -3.52 3.61 0.00 3.41 1.43 -1.16 -4.56 118.68 117.89 1kya s LEU 52 Ca 0.49 1.91 0.00 0.00 -1.03 0.00 0.00 54.13 55.49 1kya s LEU 52 Cb 0.41 -4.55 0.00 0.00 0.03 0.00 0.00 46.19 42.08 1kya s LEU 52 CO 0.01 -1.12 0.01 0.35 0.23 0.00 0.00 176.35 175.84 1kya n THR 53 N -1.71 0.00 -3.27 5.49 -2.24 -1.26 -4.77 114.28 106.52 1kya n THR 53 Ca 0.09 -0.14 -0.45 0.00 -2.27 0.00 0.00 64.05 61.28 1kya n THR 53 Cb 0.52 1.07 -0.06 0.00 -2.10 0.00 0.00 70.33 69.76 1kya n THR 53 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1kya s ASN 54 N -0.26 6.18 0.28 3.42 3.84 -1.26 -4.94 114.94 122.21 1kya s ASN 54 Ca 0.00 -1.35 -0.03 0.00 0.21 0.00 0.00 52.86 51.69 1kya s ASN 54 Cb 0.00 -2.24 0.40 0.00 -0.55 0.00 0.00 41.25 38.87 1kya s ASN 54 CO 0.00 -0.83 1.94 -0.74 -2.79 0.00 0.00 177.10 174.68 1kya h HIS 55 N 8.92 1.12 0.00 0.43 -0.00 -1.90 -1.82 115.15 121.89 1kya h HIS 55 Ca -0.29 0.03 -0.00 0.00 -0.00 0.00 0.00 60.37 60.11 1kya h HIS 55 Cb 1.10 -0.38 -0.00 0.00 -0.00 0.00 0.00 27.41 28.13 1kya h HIS 55 CO 0.72 0.68 -0.01 1.79 -0.00 0.00 0.00 177.93 181.11 1kya h THR 56 N 1.18 0.10 -0.11 6.26 1.35 -1.96 0.33 112.91 120.06 1kya h THR 56 Ca 0.35 -0.12 0.00 0.00 -0.55 0.00 0.00 66.41 66.08 1kya h THR 56 Cb -0.06 1.11 0.00 0.00 -1.73 0.00 0.00 68.15 67.47 1kya h THR 56 CO -0.09 0.01 0.00 0.23 -0.25 0.00 0.00 175.52 175.42 1kya n MET 57 N -3.20 1.36 -1.54 4.72 2.81 -0.95 -4.63 117.12 115.69 1kya n MET 57 Ca -0.02 -1.52 -0.00 0.00 -1.81 0.00 0.00 57.70 54.34 1kya n MET 57 Cb 0.12 -1.28 -0.00 0.00 -0.71 0.00 0.00 33.22 31.35 1kya n MET 57 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 1kya n LEU 58 N 0.78 -2.17 0.14 4.03 4.77 0.11 -4.81 117.00 119.86 1kya n LEU 58 Ca 0.10 0.09 0.07 0.00 -0.03 0.00 0.00 56.01 56.24 1kya n LEU 58 Cb 0.38 -1.09 0.39 0.00 -2.33 0.00 0.00 43.42 40.76 1kya n LEU 58 CO 0.09 -0.16 0.76 0.29 -1.33 0.00 0.00 177.39 177.05 1kya n LYS 59 N 0.07 0.09 -3.01 3.23 5.02 -1.21 -4.55 118.16 117.80 1kya n LYS 59 Ca -0.02 0.57 -0.24 0.00 -2.02 0.00 0.00 58.31 56.60 1kya n LYS 59 Cb 0.03 -1.97 0.00 0.00 -0.02 0.00 0.00 35.03 33.07 1kya n LYS 59 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1kya s SER 60 N -3.54 6.00 0.18 4.39 0.01 -1.26 -3.59 113.70 115.90 1kya s SER 60 Ca -0.02 0.45 -0.21 0.00 1.31 0.00 0.00 55.95 57.48 1kya s SER 60 Cb 0.04 -1.78 0.05 0.00 0.21 0.00 0.00 66.02 64.54 1kya s SER 60 CO 0.13 -0.60 0.60 0.28 0.41 0.00 0.00 173.24 174.06 1kya s THR 61 N -2.54 0.01 -0.20 1.44 -1.32 -1.03 -4.94 115.64 107.06 1kya s THR 61 Ca 0.46 -0.32 -0.17 0.00 -1.21 0.00 0.00 61.69 60.45 1kya s THR 61 Cb -0.10 -1.26 0.05 0.00 -1.51 0.00 0.00 72.50 69.68 1kya s THR 61 CO 0.39 -0.04 0.52 -0.55 -2.21 0.00 0.00 174.62 172.73 1kya s SER 62 N -2.80 -0.57 -0.10 8.08 0.15 -1.26 -0.02 113.70 117.18 1kya s SER 62 Ca 0.04 1.07 0.04 0.00 0.70 0.00 0.00 55.95 57.79 1kya s SER 62 Cb -0.02 1.05 -0.00 0.00 -1.71 0.00 0.00 66.02 65.35 1kya s SER 62 CO -0.08 -0.19 -0.24 -0.63 1.20 0.00 0.00 173.24 173.31 1kya s ILE 63 N 0.52 2.10 -0.07 6.45 1.01 -1.26 -0.21 121.20 129.73 1kya s ILE 63 Ca -0.02 -1.01 -0.04 0.00 0.00 0.00 0.00 60.65 59.59 1kya s ILE 63 Cb -0.04 -1.80 -0.04 0.00 0.01 0.00 0.00 42.46 40.59 1kya s ILE 63 CO -0.02 0.56 0.10 -2.28 0.00 0.00 0.00 174.94 173.29 1kya s HIS 64 N 0.34 3.42 -0.66 3.97 5.65 -0.68 -3.83 115.29 123.51 1kya s HIS 64 Ca -0.19 0.36 -0.09 0.00 0.25 0.00 0.00 55.06 55.39 1kya s HIS 64 Cb -0.18 -1.85 0.17 0.00 -1.18 0.00 0.00 32.58 29.54 1kya s HIS 64 CO 0.09 0.62 0.54 -1.58 -0.65 0.00 0.00 174.74 173.76 1kya s TRP 65 N -1.07 3.54 0.02 3.88 0.52 -1.25 -2.29 118.94 122.29 1kya s TRP 65 Ca 0.18 -2.17 -0.30 0.00 0.02 0.00 0.00 56.10 53.82 1kya s TRP 65 Cb -0.12 -3.53 -0.09 0.00 -1.15 0.00 0.00 33.47 28.58 1kya s TRP 65 CO 0.07 -0.94 2.00 -1.58 0.02 0.00 0.00 176.95 176.52 1kya s HIS 66 N 0.45 1.24 0.00 -1.98 2.46 0.18 -2.76 115.29 114.88 1kya s HIS 66 Ca 0.14 -0.40 0.00 0.00 0.47 0.00 0.00 55.06 55.27 1kya s HIS 66 Cb -0.18 -4.23 0.00 0.00 -0.13 0.00 0.00 32.58 28.04 1kya s HIS 66 CO -0.04 -5.51 0.00 0.41 -2.47 0.00 0.00 174.74 167.12 1kya n GLY 67 N 4.66 2.38 3.73 1.59 0.00 -1.26 -3.67 105.19 112.62 1kya n GLY 67 Ca 0.21 -0.34 -0.42 0.00 0.00 0.00 0.00 46.02 45.47 1kya n GLY 67 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1kya s PHE 68 N -1.66 3.30 0.29 1.61 0.08 -1.11 -4.91 117.98 115.57 1kya s PHE 68 Ca 0.00 1.16 0.19 0.00 0.12 0.00 0.00 56.93 58.41 1kya s PHE 68 Cb 0.00 -3.59 0.89 0.00 -0.57 0.00 0.00 43.02 39.75 1kya s PHE 68 CO 0.00 -1.90 1.85 0.74 -0.10 0.00 0.00 175.22 175.81 1kya h PHE 69 N 6.05 0.00 -3.56 0.36 0.04 -1.90 -3.40 116.94 114.52 1kya h PHE 69 Ca -0.43 0.00 -0.35 0.00 2.80 0.00 0.00 57.97 59.99 1kya h PHE 69 Cb 1.21 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.35 1kya h PHE 69 CO 0.64 0.31 -0.46 1.04 -0.60 0.00 0.00 178.31 179.24 1kya n GLN 70 N -3.71 -2.26 -1.68 1.51 1.13 -1.26 -4.44 117.38 106.67 1kya n GLN 70 Ca -0.01 0.82 -0.43 0.00 -1.94 0.00 0.00 57.00 55.44 1kya n GLN 70 Cb 0.41 -5.48 -0.03 0.00 0.11 0.00 0.00 30.24 25.24 1kya n GLN 70 CO 0.00 0.00 0.00 1.17 -1.44 0.00 0.00 177.06 176.79 1kya n LYS 71 N -3.06 2.79 -0.23 -1.09 4.81 -1.26 -0.12 118.16 120.00 1kya n LYS 71 Ca -0.19 1.02 0.00 0.00 -0.87 0.00 0.00 58.31 58.27 1kya n LYS 71 Cb 0.65 -2.94 0.00 0.00 0.02 0.00 0.00 35.03 32.76 1kya n LYS 71 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1kya n GLY 72 N 4.39 1.36 2.63 3.14 0.00 -1.26 -4.87 105.19 110.57 1kya n GLY 72 Ca 0.19 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.11 1kya n GLY 72 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1kya n THR 73 N -2.00 1.36 0.19 2.61 -2.24 0.83 -4.31 114.28 110.73 1kya n THR 73 Ca 0.00 -3.38 0.16 0.00 -2.27 0.00 0.00 64.05 58.56 1kya n THR 73 Cb 0.00 0.41 0.78 0.00 -2.10 0.00 0.00 70.33 69.42 1kya n THR 73 CO 0.00 0.00 0.00 -1.13 -0.57 0.00 0.00 175.07 173.37 1kya h ASN 74 N 2.79 0.00 0.69 3.42 -1.24 -1.86 -0.83 115.58 118.55 1kya h ASN 74 Ca -0.02 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.99 1kya h ASN 74 Cb 1.18 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.23 1kya h ASN 74 CO 0.50 0.00 0.00 -2.67 -1.29 0.00 0.00 177.43 173.97 1kya n TRP 75 N -4.02 0.75 -0.32 0.67 4.27 -1.26 -2.61 117.44 114.91 1kya n TRP 75 Ca 0.02 0.30 0.10 0.00 -3.89 0.00 0.00 57.50 54.02 1kya n TRP 75 Cb 0.31 -0.98 0.27 0.00 -1.36 0.00 0.00 31.31 29.56 1kya n TRP 75 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1kya n ALA 76 N -1.75 2.34 0.18 -1.67 0.00 -0.32 -4.50 120.51 114.79 1kya n ALA 76 Ca 0.02 -1.27 0.02 0.00 0.00 0.00 0.00 53.44 52.22 1kya n ALA 76 Cb 0.22 -0.78 0.35 0.00 0.00 0.00 0.00 19.45 19.24 1kya n ALA 76 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1kya h ASP 77 N 3.59 0.00 0.00 0.00 3.58 -1.61 -3.43 116.42 118.55 1kya h ASP 77 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1kya h ASP 77 Cb 0.93 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.98 1kya h ASP 77 CO 0.01 0.39 0.00 0.61 -2.88 0.00 0.00 179.24 177.37 1kya n GLY 78 N -0.35 3.09 3.48 -0.78 0.00 -1.25 -3.79 105.19 105.59 1kya n GLY 78 Ca -0.02 -0.89 -0.62 0.00 0.00 0.00 0.00 46.02 44.49 1kya n GLY 78 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1kya n PRO 79 N 0.00 0.15 -1.85 1.61 -0.02 -1.26 -4.47 135.00 129.16 1kya n PRO 79 Ca 0.00 0.05 -0.42 0.00 -2.02 0.00 0.00 63.50 61.11 1kya n PRO 79 Cb 0.00 -1.61 -0.03 0.00 -0.02 0.00 0.00 33.50 31.84 1kya n PRO 79 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1kya s ALA 80 N 4.80 3.84 0.00 3.55 0.00 -0.95 -1.23 121.76 131.78 1kya s ALA 80 Ca 1.12 1.46 0.00 0.00 0.00 0.00 0.00 51.96 54.54 1kya s ALA 80 Cb -1.43 -3.65 0.00 0.00 0.00 0.00 0.00 23.12 18.04 1kya s ALA 80 CO 0.71 -0.84 0.00 1.19 0.00 0.00 0.00 175.76 176.82 1kya n PHE 81 N 4.00 0.00 -0.02 0.00 3.72 0.97 -4.75 117.46 121.38 1kya n PHE 81 Ca 0.15 0.00 -0.06 0.00 -0.05 0.00 0.00 57.45 57.49 1kya n PHE 81 Cb 0.37 -0.87 -0.02 0.00 -0.94 0.00 0.00 39.48 38.02 1kya n PHE 81 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 176.76 175.82 1kya n ILE 82 N -2.40 1.04 0.15 4.37 -0.00 -0.81 -2.06 119.36 119.64 1kya n ILE 82 Ca 0.00 0.14 0.02 0.00 -0.00 0.00 0.00 62.75 62.91 1kya n ILE 82 Cb 0.17 -1.78 0.01 0.00 -0.00 0.00 0.00 39.64 38.05 1kya n ILE 82 CO 0.00 0.00 0.00 0.59 -0.00 0.00 0.00 176.55 177.14 1kya n ASN 83 N -3.69 1.24 -3.60 4.38 4.13 -0.36 -0.78 115.26 116.57 1kya n ASN 83 Ca -0.11 -1.12 0.00 0.00 1.68 0.00 0.00 54.58 55.04 1kya n ASN 83 Cb 0.36 0.05 -0.01 0.00 -1.54 0.00 0.00 39.78 38.64 1kya n ASN 83 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1kya s GLN 84 N -0.35 0.12 0.27 3.52 -2.07 -1.23 -4.52 119.66 115.42 1kya s GLN 84 Ca 0.04 -0.06 -0.04 0.00 -1.82 0.00 0.00 55.36 53.48 1kya s GLN 84 Cb 0.03 0.05 -0.05 0.00 -1.09 0.00 0.00 33.01 31.95 1kya s GLN 84 CO 0.05 -0.06 0.52 0.00 -1.32 0.00 0.00 175.29 174.48 1kya s PRO 86 N -3.54 1.44 0.44 0.00 0.02 -1.26 -4.81 135.00 127.28 1kya s PRO 86 Ca 0.43 1.63 -0.21 0.00 0.02 0.00 0.00 61.00 62.87 1kya s PRO 86 Cb -0.11 -1.77 -0.11 0.00 0.02 0.00 0.00 34.50 32.54 1kya s PRO 86 CO 0.30 -2.34 0.96 0.42 -0.33 0.00 0.00 177.00 176.01 1kya s ILE 87 N -2.40 4.37 0.05 2.83 1.01 0.98 -4.75 121.20 123.29 1kya s ILE 87 Ca 0.70 1.45 0.01 0.00 0.00 0.00 0.00 60.65 62.80 1kya s ILE 87 Cb -0.25 -3.60 -0.04 0.00 0.01 0.00 0.00 42.46 38.58 1kya s ILE 87 CO 0.54 -0.34 0.16 -0.44 0.00 0.00 0.00 174.94 174.86 1kya s SER 88 N -2.23 6.08 0.51 3.58 0.01 -1.26 -2.47 113.70 117.92 1kya s SER 88 Ca 0.62 0.19 -0.22 0.00 1.31 0.00 0.00 55.95 57.85 1kya s SER 88 Cb -0.09 -1.81 -0.07 0.00 0.21 0.00 0.00 66.02 64.26 1kya s SER 88 CO 0.15 0.19 1.11 -0.24 0.41 0.00 0.00 173.24 174.85 1kya n SER 89 N 0.46 1.59 0.00 2.44 2.88 -1.24 -1.29 113.62 118.46 1kya n SER 89 Ca -0.07 0.95 0.00 0.00 -1.33 0.00 0.00 58.87 58.42 1kya n SER 89 Cb 0.51 -1.44 0.00 0.00 -0.75 0.00 0.00 64.21 62.54 1kya n SER 89 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1kya n GLY 90 N 1.07 0.91 3.43 0.46 0.00 0.60 -5.01 105.19 106.66 1kya n GLY 90 Ca 0.11 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.91 1kya n GLY 90 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1kya s HIS 91 N -3.63 1.96 0.06 1.61 4.02 -0.41 -5.01 115.29 113.89 1kya s HIS 91 Ca 0.00 -0.73 0.02 0.00 1.02 0.00 0.00 55.06 55.37 1kya s HIS 91 Cb 0.00 -1.15 -0.03 0.00 -1.02 0.00 0.00 32.58 30.38 1kya s HIS 91 CO 0.00 0.25 -0.07 -1.54 1.02 0.00 0.00 174.74 174.39 1kya s SER 92 N -3.45 0.96 0.01 1.40 1.04 -1.26 -1.30 113.70 111.09 1kya s SER 92 Ca 0.30 -0.73 0.01 0.00 0.48 0.00 0.00 55.95 56.01 1kya s SER 92 Cb 0.05 0.06 -0.01 0.00 0.10 0.00 0.00 66.02 66.22 1kya s SER 92 CO 0.12 -0.31 -0.02 0.12 0.98 0.00 0.00 173.24 174.13 1kya s PHE 93 N -2.29 0.22 -0.27 5.02 5.36 -0.63 -4.99 117.98 120.39 1kya s PHE 93 Ca -0.01 -0.17 -0.11 0.00 -0.96 0.00 0.00 56.93 55.69 1kya s PHE 93 Cb -0.04 -0.14 -0.05 0.00 -0.34 0.00 0.00 43.02 42.45 1kya s PHE 93 CO -0.02 -0.05 0.17 -1.17 -1.46 0.00 0.00 175.22 172.70 1kya s LEU 94 N -0.45 3.97 -0.38 6.12 2.96 -1.26 -1.01 118.68 128.64 1kya s LEU 94 Ca -0.03 -0.02 -0.18 0.00 -0.22 0.00 0.00 54.13 53.68 1kya s LEU 94 Cb -0.03 -2.10 0.01 0.00 0.50 0.00 0.00 46.19 44.57 1kya s LEU 94 CO -0.00 -0.03 0.48 -0.31 -1.32 0.00 0.00 176.35 175.16 1kya s TYR 95 N 1.65 3.17 -0.26 5.38 1.51 -0.08 -4.97 117.35 123.75 1kya s TYR 95 Ca 0.07 -0.05 0.00 0.00 -1.01 0.00 0.00 57.07 56.08 1kya s TYR 95 Cb -0.16 -2.92 0.07 0.00 -0.11 0.00 0.00 41.96 38.85 1kya s TYR 95 CO 0.09 -0.61 0.01 0.34 -1.11 0.00 0.00 175.55 174.27 1kya s ASP 96 N 1.80 3.91 0.12 2.29 2.15 -1.25 -0.71 116.67 124.98 1kya s ASP 96 Ca 0.16 -1.37 -0.09 0.00 0.43 0.00 0.00 52.55 51.68 1kya s ASP 96 Cb -0.16 -1.10 -0.00 0.00 -0.30 0.00 0.00 42.92 41.36 1kya s ASP 96 CO 0.14 -0.30 0.23 0.72 -0.17 0.00 0.00 175.17 175.78 1kya s PHE 97 N 1.43 0.27 0.08 -5.34 -0.12 -0.30 -4.98 117.98 109.02 1kya s PHE 97 Ca 0.01 -0.67 0.04 0.00 -0.05 0.00 0.00 56.93 56.26 1kya s PHE 97 Cb -0.18 -0.06 -0.04 0.00 -0.63 0.00 0.00 43.02 42.10 1kya s PHE 97 CO -0.11 -0.62 -0.01 -0.65 -0.05 0.00 0.00 175.22 173.78 1kya s GLN 98 N -3.91 2.55 -0.65 1.99 -0.21 -1.26 0.11 119.66 118.27 1kya s GLN 98 Ca 0.11 -0.82 0.05 0.00 0.02 0.00 0.00 55.36 54.72 1kya s GLN 98 Cb 0.04 -2.54 0.18 0.00 1.00 0.00 0.00 33.01 31.69 1kya s GLN 98 CO -0.06 0.55 0.52 0.28 -2.12 0.00 0.00 175.29 174.46 1kya n VAL 99 N 0.72 1.34 0.05 1.09 0.31 -1.00 -4.84 118.33 116.01 1kya n VAL 99 Ca -0.12 -4.72 -0.02 0.00 -0.01 0.00 0.00 64.34 59.47 1kya n VAL 99 Cb 0.52 -2.10 -0.01 0.00 -0.91 0.00 0.00 33.84 31.34 1kya n VAL 99 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 1kya h PRO 100 N 5.20 -0.13 -0.98 5.55 0.11 -1.87 0.29 132.00 140.17 1kya h PRO 100 Ca 0.17 0.01 -0.64 0.00 0.11 0.00 0.00 66.00 65.65 1kya h PRO 100 Cb 0.76 0.03 -0.34 0.00 0.11 0.00 0.00 31.00 31.56 1kya h PRO 100 CO 0.69 -0.09 0.32 -0.25 -0.21 0.00 0.00 178.00 178.46 1kya n ASP 101 N -2.39 6.78 -4.03 -2.05 8.00 -1.26 -4.15 116.55 117.45 1kya n ASP 101 Ca -0.02 -3.78 -0.16 0.00 0.71 0.00 0.00 54.79 51.55 1kya n ASP 101 Cb 0.05 -0.77 -0.13 0.00 -0.02 0.00 0.00 41.12 40.25 1kya n ASP 101 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1kya s GLN 102 N -3.76 0.57 -0.29 -1.24 -0.21 -1.26 -5.14 119.66 108.33 1kya s GLN 102 Ca 0.60 -0.46 -0.19 0.00 0.02 0.00 0.00 55.36 55.32 1kya s GLN 102 Cb 0.47 -0.50 0.14 0.00 1.00 0.00 0.00 33.01 34.13 1kya s GLN 102 CO -0.02 0.12 1.02 0.00 -2.12 0.00 0.00 175.29 174.29 1kya s ALA 103 N -0.61 -2.18 0.00 6.09 0.00 -1.26 -4.56 121.76 119.24 1kya s ALA 103 Ca -0.01 2.07 0.00 0.00 0.00 0.00 0.00 51.96 54.02 1kya s ALA 103 Cb -0.05 -1.63 0.00 0.00 0.00 0.00 0.00 23.12 21.44 1kya s ALA 103 CO 0.00 -0.30 0.00 0.41 0.00 0.00 0.00 175.76 175.87 1kya n GLY 104 N 3.11 0.08 3.71 0.00 0.00 -0.05 -4.75 105.19 107.30 1kya n GLY 104 Ca -0.16 -1.22 -0.35 0.00 0.00 0.00 0.00 46.02 44.29 1kya n GLY 104 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1kya s THR 105 N -3.77 4.97 0.00 2.61 2.01 -1.26 -1.76 115.64 118.44 1kya s THR 105 Ca 0.00 0.02 0.00 0.00 0.31 0.00 0.00 61.69 62.02 1kya s THR 105 Cb 0.00 -3.21 0.00 0.00 0.01 0.00 0.00 72.50 69.30 1kya s THR 105 CO 0.00 0.51 0.00 0.49 -0.69 0.00 0.00 174.62 174.93 1kya n PHE 106 N 2.99 -0.01 -3.60 4.92 3.72 0.21 -4.07 117.46 121.62 1kya n PHE 106 Ca -0.18 0.00 -0.07 0.00 -0.05 0.00 0.00 57.45 57.16 1kya n PHE 106 Cb 0.53 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 39.05 1kya n PHE 106 CO 0.00 0.00 0.00 1.67 -0.05 0.00 0.00 176.76 178.38 1kya s TRP 107 N -1.69 -0.28 0.14 1.38 1.48 -1.24 -1.22 118.94 117.50 1kya s TRP 107 Ca 0.00 0.06 0.08 0.00 -1.06 0.00 0.00 56.10 55.18 1kya s TRP 107 Cb 0.00 0.59 -0.04 0.00 -1.16 0.00 0.00 33.47 32.86 1kya s TRP 107 CO 0.00 -0.72 -0.18 1.52 -4.06 0.00 0.00 176.95 173.51 1kya s TYR 108 N -3.30 1.72 -0.18 1.66 1.13 0.93 -0.65 117.35 118.67 1kya s TYR 108 Ca 0.07 -0.47 -0.30 0.00 -1.41 0.00 0.00 57.07 54.96 1kya s TYR 108 Cb -0.01 -0.89 0.14 0.00 -1.10 0.00 0.00 41.96 40.10 1kya s TYR 108 CO -0.05 0.25 1.08 -3.38 -2.51 0.00 0.00 175.55 170.95 1kya s HIS 109 N -1.79 -0.28 0.43 -3.49 -3.43 -0.97 -0.46 115.29 105.30 1kya s HIS 109 Ca 0.11 0.45 -0.24 0.00 -0.80 0.00 0.00 55.06 54.58 1kya s HIS 109 Cb -0.07 0.47 -0.10 0.00 -1.43 0.00 0.00 32.58 31.45 1kya s HIS 109 CO 0.05 -0.28 1.05 0.45 -2.00 0.00 0.00 174.74 174.02 1kya n SER 110 N 0.58 1.44 -2.25 7.38 2.88 0.16 -1.68 113.62 122.13 1kya n SER 110 Ca -0.07 1.03 -0.19 0.00 -1.33 0.00 0.00 58.87 58.30 1kya n SER 110 Cb 0.58 -1.38 0.02 0.00 -0.75 0.00 0.00 64.21 62.69 1kya n SER 110 CO 0.00 0.00 0.00 1.57 -1.23 0.00 0.00 175.04 175.38 1kya n HIS 111 N -0.53 2.50 -4.01 0.66 -0.00 0.70 -4.32 115.22 110.22 1kya n HIS 111 Ca 0.09 -2.33 -0.31 0.00 0.46 0.00 0.00 57.72 55.63 1kya n HIS 111 Cb 0.40 -0.29 -0.15 0.00 -0.12 0.00 0.00 29.99 29.82 1kya n HIS 111 CO 0.00 0.00 0.00 -1.17 0.46 0.00 0.00 176.34 175.63 1kya s LEU 112 N -3.62 2.84 0.00 0.27 2.96 -1.26 -2.24 118.68 117.64 1kya s LEU 112 Ca 0.45 -1.18 0.00 0.00 -0.22 0.00 0.00 54.13 53.18 1kya s LEU 112 Cb 0.39 -1.35 0.00 0.00 0.50 0.00 0.00 46.19 45.73 1kya s LEU 112 CO -0.00 -0.19 0.00 -0.24 -1.32 0.00 0.00 176.35 174.60 1kya n SER 113 N 4.57 0.00 -1.51 3.68 2.88 -1.26 -2.03 113.62 119.95 1kya n SER 113 Ca -0.14 0.00 0.11 0.00 -1.33 0.00 0.00 58.87 57.51 1kya n SER 113 Cb 0.44 0.00 0.35 0.00 -0.75 0.00 0.00 64.21 64.25 1kya n SER 113 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1kya n THR 114 N 0.00 1.44 -0.17 2.46 -2.24 -1.26 -4.64 114.28 109.87 1kya n THR 114 Ca 0.00 -1.10 0.27 0.00 -2.27 0.00 0.00 64.05 60.95 1kya n THR 114 Cb 0.00 0.30 0.70 0.00 -2.10 0.00 0.00 70.33 69.24 1kya n THR 114 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 1kya h GLN 115 N 4.27 0.03 0.00 -0.78 4.15 -1.72 0.26 115.11 121.33 1kya h GLN 115 Ca 0.00 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1kya h GLN 115 Cb 1.24 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.93 1kya h GLN 115 CO 0.12 0.02 0.00 0.10 -1.93 0.00 0.00 178.83 177.15 1kya h TYR 116 N 0.03 0.00 -0.03 3.99 -0.00 -1.79 -1.91 116.97 117.26 1kya h TYR 116 Ca 0.41 0.00 -0.13 0.00 0.00 0.00 0.00 58.73 59.01 1kya h TYR 116 Cb 1.60 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 38.32 1kya h TYR 116 CO -0.00 0.00 -0.60 0.00 -0.00 0.00 0.00 178.16 177.56 1kya n ASP 118 N -3.84 0.00 0.00 0.00 8.00 -0.72 -4.84 116.55 115.15 1kya n ASP 118 Ca -0.02 -1.34 0.00 0.00 0.71 0.00 0.00 54.79 54.14 1kya n ASP 118 Cb 0.61 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.71 1kya n ASP 118 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1kya n GLY 119 N 0.68 1.61 3.58 0.44 0.00 -1.03 -1.10 105.19 109.36 1kya n GLY 119 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 1kya n GLY 119 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1kya s LEU 120 N 0.00 3.75 -0.19 0.99 2.96 -1.22 -4.46 118.68 120.50 1kya s LEU 120 Ca 0.00 -2.21 -0.27 0.00 -0.22 0.00 0.00 54.13 51.43 1kya s LEU 120 Cb 0.00 -2.58 0.07 0.00 0.50 0.00 0.00 46.19 44.18 1kya s LEU 120 CO 0.00 -1.29 0.72 0.00 -1.32 0.00 0.00 176.35 174.46 1kya s ARG 121 N 4.45 0.90 0.17 1.98 1.70 -1.26 -0.67 118.95 126.22 1kya s ARG 121 Ca 0.53 0.73 -0.23 0.00 -0.47 0.00 0.00 55.73 56.29 1kya s ARG 121 Cb 0.03 0.44 0.06 0.00 -0.57 0.00 0.00 34.95 34.91 1kya s ARG 121 CO 0.04 -0.18 0.66 0.20 -1.08 0.00 0.00 175.30 174.94 1kya s GLY 122 N -0.17 -0.50 0.34 3.88 0.00 0.39 0.14 107.32 111.40 1kya s GLY 122 Ca -0.04 0.39 -0.25 0.00 0.00 0.00 0.00 44.72 44.82 1kya s GLY 122 CO 0.04 0.13 0.94 2.56 0.00 0.00 0.00 173.10 176.77 1kya s PRO 123 N -3.71 4.50 -0.09 2.90 0.04 -1.26 -0.05 135.00 137.34 1kya s PRO 123 Ca 0.03 1.27 -0.01 0.00 0.04 0.00 0.00 61.00 62.34 1kya s PRO 123 Cb -0.02 -2.68 0.03 0.00 0.04 0.00 0.00 34.50 31.87 1kya s PRO 123 CO -0.09 0.22 -0.02 0.12 0.04 0.00 0.00 177.00 177.28 1kya s PHE 124 N -1.73 0.90 -0.07 0.56 2.19 -0.36 -1.35 117.98 118.11 1kya s PHE 124 Ca 0.52 -0.34 0.03 0.00 0.33 0.00 0.00 56.93 57.48 1kya s PHE 124 Cb -0.17 -0.92 0.00 0.00 -1.31 0.00 0.00 43.02 40.63 1kya s PHE 124 CO 0.21 -0.38 -0.18 0.08 1.83 0.00 0.00 175.22 176.78 1kya s VAL 125 N 1.90 1.58 -0.30 3.12 1.01 0.63 0.67 120.40 129.01 1kya s VAL 125 Ca 0.05 -0.75 -0.00 0.00 0.00 0.00 0.00 61.98 61.28 1kya s VAL 125 Cb -0.12 -1.39 0.06 0.00 0.00 0.00 0.00 36.38 34.93 1kya s VAL 125 CO -0.06 0.45 -0.01 -0.69 0.00 0.00 0.00 175.10 174.79 1kya s VAL 126 N 0.40 2.72 0.56 2.92 1.01 -0.72 -2.19 120.40 125.10 1kya s VAL 126 Ca -0.14 -1.58 -0.16 0.00 0.00 0.00 0.00 61.98 60.10 1kya s VAL 126 Cb -0.16 -2.63 -0.05 0.00 0.00 0.00 0.00 36.38 33.54 1kya s VAL 126 CO 0.06 -0.16 1.03 -0.31 0.00 0.00 0.00 175.10 175.71 1kya s TYR 127 N 1.17 3.16 -0.29 5.22 2.02 0.33 -0.87 117.35 128.09 1kya s TYR 127 Ca -0.04 1.50 -0.03 0.00 -0.37 0.00 0.00 57.07 58.13 1kya s TYR 127 Cb -0.20 -2.93 0.04 0.00 -0.40 0.00 0.00 41.96 38.47 1kya s TYR 127 CO -0.03 -0.84 0.00 0.34 -1.57 0.00 0.00 175.55 173.45 1kya s ASP 128 N -2.87 4.81 0.55 2.29 -1.08 -1.26 -0.38 116.67 118.74 1kya s ASP 128 Ca 0.62 -1.09 0.28 0.00 -0.52 0.00 0.00 52.55 51.84 1kya s ASP 128 Cb -0.14 -1.74 1.46 0.00 -1.46 0.00 0.00 42.92 41.05 1kya s ASP 128 CO 0.34 -0.23 1.95 -0.65 0.52 0.00 0.00 175.17 177.11 1kya h PRO 129 N 8.05 0.00 -1.25 4.34 0.11 -1.97 -1.92 132.00 139.37 1kya h PRO 129 Ca -0.26 0.00 -0.53 0.00 0.11 0.00 0.00 66.00 65.33 1kya h PRO 129 Cb 1.08 0.00 -0.42 0.00 0.11 0.00 0.00 31.00 31.78 1kya h PRO 129 CO 0.56 0.00 -0.85 0.27 -0.21 0.00 0.00 178.00 177.77 1kya n ASN 130 N -4.10 4.01 -4.67 -2.05 6.94 -1.26 -5.08 115.26 109.05 1kya n ASN 130 Ca 0.11 -3.46 -0.47 0.00 -0.02 0.00 0.00 54.58 50.74 1kya n ASN 130 Cb 0.69 -0.45 -0.04 0.00 -2.36 0.00 0.00 39.78 37.61 1kya n ASN 130 CO 0.00 0.00 0.00 -0.67 -1.03 0.00 0.00 177.26 175.56 1kya n ASP 131 N -0.45 3.16 -0.14 0.53 -0.08 -0.72 -4.89 116.55 113.95 1kya n ASP 131 Ca 0.33 1.05 0.06 0.00 -1.51 0.00 0.00 54.79 54.73 1kya n ASP 131 Cb 0.75 -1.41 0.38 0.00 2.34 0.00 0.00 41.12 43.18 1kya n ASP 131 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1kya h PRO 132 N 6.75 0.67 -0.62 -0.67 0.11 -1.98 -1.97 132.00 134.30 1kya h PRO 132 Ca -0.46 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1kya h PRO 132 Cb 1.26 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1kya h PRO 132 CO 0.90 0.45 0.00 0.00 -0.21 0.00 0.00 178.00 179.14 1kya n ALA 133 N -2.46 2.96 -0.33 -0.75 0.00 -1.26 -4.44 120.51 114.23 1kya n ALA 133 Ca 0.09 -1.11 0.03 0.00 0.00 0.00 0.00 53.44 52.46 1kya n ALA 133 Cb 0.21 -1.03 0.21 0.00 0.00 0.00 0.00 19.45 18.84 1kya n ALA 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1kya h ALA 134 N 3.64 1.47 0.00 0.00 0.00 -1.73 -1.24 119.26 121.39 1kya h ALA 134 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1kya h ALA 134 Cb 1.12 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1kya h ALA 134 CO 0.18 0.40 0.00 -0.25 0.00 0.00 0.00 179.25 179.57 1kya n ASP 135 N -4.49 0.00 -0.30 0.00 8.00 -1.26 -2.83 116.55 115.67 1kya n ASP 135 Ca 0.14 0.26 0.13 0.00 0.71 0.00 0.00 54.79 56.04 1kya n ASP 135 Cb 0.19 -0.38 0.46 0.00 -0.02 0.00 0.00 41.12 41.37 1kya n ASP 135 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1kya n LEU 136 N -1.38 1.10 -3.72 0.64 4.77 -0.47 -4.95 117.00 113.00 1kya n LEU 136 Ca 0.05 -0.30 -0.10 0.00 -0.03 0.00 0.00 56.01 55.63 1kya n LEU 136 Cb 0.13 -0.09 -0.05 0.00 -2.33 0.00 0.00 43.42 41.08 1kya n LEU 136 CO 0.11 0.20 0.11 -0.72 -1.33 0.00 0.00 177.39 175.75 1kya s TYR 137 N -2.33 -0.08 -0.21 -1.77 -0.85 -1.13 -4.88 117.35 106.11 1kya s TYR 137 Ca 0.29 -0.27 0.07 0.00 -0.52 0.00 0.00 57.07 56.64 1kya s TYR 137 Cb 0.20 0.18 -0.18 0.00 0.38 0.00 0.00 41.96 42.54 1kya s TYR 137 CO 0.45 -0.69 -0.10 -0.25 -1.52 0.00 0.00 175.55 173.44 1kya n ASP 138 N -0.20 1.58 -4.24 -0.18 8.00 -0.07 -4.98 116.55 116.47 1kya n ASP 138 Ca -0.15 -0.08 -0.30 0.00 0.71 0.00 0.00 54.79 54.98 1kya n ASP 138 Cb 0.63 0.13 -0.16 0.00 -0.02 0.00 0.00 41.12 41.70 1kya n ASP 138 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1kya s VAL 139 N -2.45 1.87 -0.40 2.53 1.01 -0.50 -5.00 120.40 117.45 1kya s VAL 139 Ca -0.23 -0.97 0.07 0.00 0.00 0.00 0.00 61.98 60.85 1kya s VAL 139 Cb 0.07 -1.58 0.18 0.00 0.00 0.00 0.00 36.38 35.05 1kya s VAL 139 CO 0.61 0.53 0.64 -0.62 0.00 0.00 0.00 175.10 176.26 1kya s ASP 140 N -0.19 -1.51 0.00 3.32 2.15 -1.26 -0.96 116.67 118.21 1kya s ASP 140 Ca -0.01 -0.71 0.00 0.00 0.43 0.00 0.00 52.55 52.26 1kya s ASP 140 Cb -0.12 1.94 0.00 0.00 -0.30 0.00 0.00 42.92 44.43 1kya s ASP 140 CO 0.03 -0.17 0.00 -0.46 -0.17 0.00 0.00 175.17 174.39 1kya n ASN 141 N 4.46 0.03 0.22 -0.34 0.23 -1.26 -5.02 115.26 113.58 1kya n ASN 141 Ca 0.11 0.00 0.07 0.00 -0.53 0.00 0.00 54.58 54.23 1kya n ASN 141 Cb 0.57 0.00 0.52 0.00 -2.08 0.00 0.00 39.78 38.78 1kya n ASN 141 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 1kya h ASP 142 N 0.00 0.00 -0.09 0.53 5.19 -2.01 -3.11 116.42 116.93 1kya h ASP 142 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1kya h ASP 142 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 1kya h ASP 142 CO 0.00 0.25 0.00 0.47 -3.12 0.00 0.00 179.24 176.84 1kya n ASP 143 N -3.83 1.67 -0.68 6.45 8.00 -1.26 -3.80 116.55 123.11 1kya n ASP 143 Ca -0.02 -1.62 0.06 0.00 0.71 0.00 0.00 54.79 53.92 1kya n ASP 143 Cb 0.34 -0.05 0.17 0.00 -0.02 0.00 0.00 41.12 41.55 1kya n ASP 143 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1kya n THR 144 N 0.31 1.14 -3.30 -3.53 -2.24 -1.17 -4.83 114.28 100.67 1kya n THR 144 Ca 0.18 -1.09 -0.38 0.00 -2.27 0.00 0.00 64.05 60.48 1kya n THR 144 Cb 0.36 0.42 -0.06 0.00 -2.10 0.00 0.00 70.33 68.94 1kya n THR 144 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1kya s VAL 145 N -1.20 5.18 -0.18 2.28 1.01 -1.25 0.17 120.40 126.41 1kya s VAL 145 Ca 0.26 0.97 0.01 0.00 0.00 0.00 0.00 61.98 63.21 1kya s VAL 145 Cb 0.15 -3.83 0.03 0.00 0.00 0.00 0.00 36.38 32.73 1kya s VAL 145 CO 0.15 0.31 -0.13 -0.63 0.00 0.00 0.00 175.10 174.80 1kya s ILE 146 N 0.75 1.69 -0.07 2.22 1.01 0.70 -4.89 121.20 122.61 1kya s ILE 146 Ca 0.26 -0.88 -0.01 0.00 0.00 0.00 0.00 60.65 60.01 1kya s ILE 146 Cb -0.15 -1.67 -0.03 0.00 0.01 0.00 0.00 42.46 40.62 1kya s ILE 146 CO 0.10 0.32 0.01 0.42 0.00 0.00 0.00 174.94 175.79 1kya s THR 147 N 1.41 4.33 -0.15 2.92 -4.23 -1.26 -0.66 115.64 117.99 1kya s THR 147 Ca 0.02 -0.29 -0.00 0.00 -1.18 0.00 0.00 61.69 60.23 1kya s THR 147 Cb -0.15 -2.84 -0.01 0.00 1.34 0.00 0.00 72.50 70.84 1kya s THR 147 CO -0.10 0.56 -0.13 -0.76 -0.54 0.00 0.00 174.62 173.66 1kya s LEU 148 N -1.02 2.62 -0.02 4.79 1.43 -0.14 -0.74 118.68 125.60 1kya s LEU 148 Ca 0.15 -0.40 0.02 0.00 -1.03 0.00 0.00 54.13 52.87 1kya s LEU 148 Cb -0.11 -1.60 0.00 0.00 0.03 0.00 0.00 46.19 44.51 1kya s LEU 148 CO 0.04 0.11 -0.09 -0.69 0.23 0.00 0.00 176.35 175.95 1kya s VAL 149 N 0.70 0.76 -0.65 -1.59 1.01 0.84 -0.93 120.40 120.53 1kya s VAL 149 Ca -0.06 -0.36 -0.19 0.00 0.00 0.00 0.00 61.98 61.37 1kya s VAL 149 Cb -0.15 -0.67 0.11 0.00 0.00 0.00 0.00 36.38 35.67 1kya s VAL 149 CO 0.02 0.23 0.78 1.51 0.00 0.00 0.00 175.10 177.64 1kya s ASP 150 N 0.14 6.27 -0.16 3.32 -4.77 -1.26 0.91 116.67 121.12 1kya s ASP 150 Ca -0.02 -1.55 -0.18 0.00 -3.30 0.00 0.00 52.55 47.50 1kya s ASP 150 Cb -0.08 -2.32 -0.04 0.00 -1.09 0.00 0.00 42.92 39.40 1kya s ASP 150 CO 0.00 -1.10 0.48 0.86 0.70 0.00 0.00 175.17 176.11 1kya s TRP 151 N 2.64 3.44 0.01 2.11 -0.11 0.15 -4.81 118.94 122.37 1kya s TRP 151 Ca 0.15 0.80 0.02 0.00 1.22 0.00 0.00 56.10 58.29 1kya s TRP 151 Cb -0.20 -2.59 -0.04 0.00 -1.50 0.00 0.00 33.47 29.14 1kya s TRP 151 CO 0.04 0.05 0.01 0.71 -4.62 0.00 0.00 176.95 173.13 1kya s TYR 152 N 1.09 3.09 -0.11 5.86 1.51 -1.26 -1.45 117.35 126.07 1kya s TYR 152 Ca 0.24 0.08 0.14 0.00 -1.01 0.00 0.00 57.07 56.52 1kya s TYR 152 Cb -0.15 -1.66 -0.00 0.00 -0.11 0.00 0.00 41.96 40.04 1kya s TYR 152 CO 0.10 0.47 1.34 0.45 -1.11 0.00 0.00 175.55 176.80 1kya h HIS 153 N 4.16 0.00 -2.95 2.71 3.86 -1.98 -3.44 115.15 117.51 1kya h HIS 153 Ca -0.49 0.00 -0.66 0.00 -1.16 0.00 0.00 60.37 58.06 1kya h HIS 153 Cb 1.17 0.00 -0.11 0.00 1.06 0.00 0.00 27.41 29.54 1kya h HIS 153 CO 0.61 0.59 -0.53 0.08 0.86 0.00 0.00 177.93 179.54 1kya s VAL 154 N -2.91 5.05 0.73 2.45 1.01 -1.26 -4.94 120.40 120.52 1kya s VAL 154 Ca 0.03 0.04 -0.16 0.00 0.00 0.00 0.00 61.98 61.89 1kya s VAL 154 Cb 0.08 -3.19 0.02 0.00 0.00 0.00 0.00 36.38 33.29 1kya s VAL 154 CO 0.77 0.59 1.05 0.00 0.00 0.00 0.00 175.10 177.51 1kya n ALA 155 N 2.25 -0.06 -0.10 5.51 0.00 -1.26 -4.72 120.51 122.13 1kya n ALA 155 Ca -0.19 -0.20 -0.06 0.00 0.00 0.00 0.00 53.44 52.99 1kya n ALA 155 Cb 0.54 -2.16 0.01 0.00 0.00 0.00 0.00 19.45 17.83 1kya n ALA 155 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1kya h ALA 156 N -0.31 0.22 0.00 0.00 0.00 -1.91 -1.60 119.26 115.65 1kya h ALA 156 Ca -0.47 0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1kya h ALA 156 Cb 1.33 0.30 0.00 0.00 0.00 0.00 0.00 17.79 19.41 1kya h ALA 156 CO 0.47 -0.47 0.00 1.63 0.00 0.00 0.00 179.25 180.88 1kya n LYS 157 N -5.30 0.22 -0.04 0.00 5.02 -1.26 -3.68 118.16 113.12 1kya n LYS 157 Ca 0.01 0.03 0.03 0.00 -2.02 0.00 0.00 58.31 56.36 1kya n LYS 157 Cb 0.21 -1.50 -0.17 0.00 -0.02 0.00 0.00 35.03 33.56 1kya n LYS 157 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1kya n LEU 158 N -1.38 0.00 0.00 -0.35 4.77 -0.80 -4.99 117.00 114.25 1kya n LEU 158 Ca 0.10 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.08 1kya n LEU 158 Cb 0.27 0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 1kya n LEU 158 CO 0.23 0.19 0.00 0.61 -1.33 0.00 0.00 177.39 177.10 1kya n GLY 159 N 1.45 0.27 3.74 -0.72 0.00 -0.67 -4.95 105.19 104.31 1kya n GLY 159 Ca -0.15 -1.79 -0.32 0.00 0.00 0.00 0.00 46.02 43.76 1kya n GLY 159 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1kya s PRO 160 N 1.15 2.09 0.30 1.61 0.02 -1.26 -4.91 135.00 134.00 1kya s PRO 160 Ca 0.00 1.40 0.05 0.00 0.02 0.00 0.00 61.00 62.47 1kya s PRO 160 Cb 0.00 -1.86 0.49 0.00 0.02 0.00 0.00 34.50 33.15 1kya s PRO 160 CO 0.00 -1.80 1.75 0.00 -0.33 0.00 0.00 177.00 176.62 1kya h ALA 161 N -0.88 1.18 -2.84 -1.55 0.00 -1.96 -3.33 119.26 109.87 1kya h ALA 161 Ca -0.45 -0.34 -0.61 0.00 0.00 0.00 0.00 54.91 53.52 1kya h ALA 161 Cb 1.25 -0.11 -0.40 0.00 0.00 0.00 0.00 17.79 18.54 1kya h ALA 161 CO 0.50 0.53 -0.76 -0.06 0.00 0.00 0.00 179.25 179.45 1kya s PHE 162 N -4.45 2.04 0.25 0.00 0.08 -1.26 -4.84 117.98 109.80 1kya s PHE 162 Ca -0.06 -2.55 -0.06 0.00 0.12 0.00 0.00 56.93 54.38 1kya s PHE 162 Cb 0.14 -1.78 0.43 0.00 -0.57 0.00 0.00 43.02 41.24 1kya s PHE 162 CO 0.77 -0.75 1.36 -2.30 -0.10 0.00 0.00 175.22 174.21 1kya n PRO 163 N 3.08 -0.08 -2.94 0.24 -0.02 -1.25 -4.89 135.00 129.13 1kya n PRO 163 Ca 0.16 1.36 -0.11 0.00 -2.02 0.00 0.00 63.50 62.89 1kya n PRO 163 Cb 0.38 -2.04 0.03 0.00 -0.02 0.00 0.00 33.50 31.85 1kya n PRO 163 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 1kya n LEU 164 N -5.41 -2.55 0.00 2.45 7.94 -1.26 -4.94 117.00 113.23 1kya n LEU 164 Ca 0.15 -0.23 0.00 0.00 -1.11 0.00 0.00 56.01 54.81 1kya n LEU 164 Cb 0.46 -1.70 0.00 0.00 0.53 0.00 0.00 43.42 42.72 1kya n LEU 164 CO -0.10 0.27 0.00 0.61 -1.11 0.00 0.00 177.39 177.06 1kya n GLY 165 N -1.20 4.41 3.91 -3.96 0.00 -1.26 -4.09 105.19 103.00 1kya n GLY 165 Ca -0.01 -1.01 -0.30 0.00 0.00 0.00 0.00 46.02 44.71 1kya n GLY 165 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kya s ALA 166 N -0.58 3.79 0.15 4.61 0.00 -1.26 -4.91 121.76 123.56 1kya s ALA 166 Ca 0.00 -0.66 0.27 0.00 0.00 0.00 0.00 51.96 51.57 1kya s ALA 166 Cb 0.00 -2.10 1.11 0.00 0.00 0.00 0.00 23.12 22.14 1kya s ALA 166 CO 0.00 0.53 1.90 -0.44 0.00 0.00 0.00 175.76 177.75 1kya h ASP 167 N 2.37 0.00 -3.87 0.00 3.32 -1.62 -3.32 116.42 113.30 1kya h ASP 167 Ca -0.47 0.00 0.04 0.00 0.02 0.00 0.00 57.03 56.62 1kya h ASP 167 Cb 1.18 0.00 -0.23 0.00 0.22 0.00 0.00 39.33 40.49 1kya h ASP 167 CO 0.70 0.15 0.42 0.00 -1.72 0.00 0.00 179.24 178.79 1kya s ALA 168 N -3.71 -1.91 -0.08 3.45 0.00 -0.90 -4.31 121.76 114.29 1kya s ALA 168 Ca 0.00 1.71 -0.17 0.00 0.00 0.00 0.00 51.96 53.50 1kya s ALA 168 Cb 0.10 -0.94 -0.05 0.00 0.00 0.00 0.00 23.12 22.23 1kya s ALA 168 CO 0.60 -0.29 0.46 0.99 0.00 0.00 0.00 175.76 177.52 1kya s THR 169 N -0.45 5.13 -0.22 0.00 2.01 -1.26 -0.68 115.64 120.17 1kya s THR 169 Ca -0.01 0.93 -0.06 0.00 0.31 0.00 0.00 61.69 62.86 1kya s THR 169 Cb -0.03 -3.79 -0.03 0.00 0.01 0.00 0.00 72.50 68.67 1kya s THR 169 CO -0.00 0.40 0.03 -0.76 -0.69 0.00 0.00 174.62 173.60 1kya s LEU 170 N 0.11 3.36 -0.24 4.42 1.02 0.26 -4.17 118.68 123.44 1kya s LEU 170 Ca 0.25 -0.19 -0.04 0.00 0.02 0.00 0.00 54.13 54.17 1kya s LEU 170 Cb -0.16 -1.88 -0.00 0.00 0.02 0.00 0.00 46.19 44.18 1kya s LEU 170 CO 0.11 0.02 -0.01 -0.63 0.02 0.00 0.00 176.35 175.87 1kya s ILE 171 N 1.25 3.49 -1.46 -0.59 1.01 0.17 -0.11 121.20 124.95 1kya s ILE 171 Ca 0.04 -0.59 -0.09 0.00 0.00 0.00 0.00 60.65 60.00 1kya s ILE 171 Cb -0.15 -2.67 0.06 0.00 0.01 0.00 0.00 42.46 39.71 1kya s ILE 171 CO 0.02 0.31 0.91 0.59 0.00 0.00 0.00 174.94 176.77 1kya n ASN 172 N 4.80 -3.80 0.00 3.58 4.13 0.08 -2.12 115.26 121.93 1kya n ASN 172 Ca -0.17 -0.78 0.00 0.00 1.68 0.00 0.00 54.58 55.31 1kya n ASN 172 Cb 0.50 -4.00 0.00 0.00 -1.54 0.00 0.00 39.78 34.73 1kya n ASN 172 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1kya n GLY 173 N -1.68 2.56 3.44 7.41 0.00 -1.26 -4.91 105.19 110.75 1kya n GLY 173 Ca -0.06 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.73 1kya n GLY 173 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1kya s LYS 174 N -0.24 1.58 0.00 1.61 1.02 -0.90 -4.62 119.74 118.18 1kya s LYS 174 Ca 0.00 -1.75 0.00 0.00 0.02 0.00 0.00 55.97 54.24 1kya s LYS 174 Cb 0.00 -1.44 0.00 0.00 -0.52 0.00 0.00 37.83 35.87 1kya s LYS 174 CO 0.00 0.19 0.00 0.41 -0.92 0.00 0.00 175.35 175.03 1kya n GLY 175 N -0.57 -1.90 3.23 -3.33 0.00 -1.13 0.41 105.19 101.90 1kya n GLY 175 Ca -0.06 -1.14 -0.19 0.00 0.00 0.00 0.00 46.02 44.63 1kya n GLY 175 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1kya s ARG 176 N -1.83 0.99 0.23 1.61 0.52 -1.26 -4.05 118.95 115.16 1kya s ARG 176 Ca 0.00 -1.17 0.08 0.00 -0.52 0.00 0.00 55.73 54.12 1kya s ARG 176 Cb 0.00 -0.94 -0.04 0.00 0.52 0.00 0.00 34.95 34.49 1kya s ARG 176 CO 0.00 0.19 0.06 -1.54 0.02 0.00 0.00 175.30 174.03 1kya s SER 177 N -2.24 4.93 0.53 0.23 1.04 -1.26 -4.30 113.70 112.63 1kya s SER 177 Ca 0.06 -0.44 0.21 0.00 0.48 0.00 0.00 55.95 56.26 1kya s SER 177 Cb -0.07 -1.08 1.15 0.00 0.10 0.00 0.00 66.02 66.12 1kya s SER 177 CO 0.03 0.02 1.60 -0.65 0.98 0.00 0.00 173.24 175.22 1kya h PRO 178 N 2.00 0.00 -0.02 4.02 0.11 -1.93 0.12 132.00 136.31 1kya h PRO 178 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1kya h PRO 178 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1kya h PRO 178 CO 0.60 0.00 -0.06 0.45 -0.21 0.00 0.00 178.00 178.78 1kya n SER 179 N -2.53 2.41 -3.01 -2.05 2.88 -1.26 -4.59 113.62 105.47 1kya n SER 179 Ca -0.01 -1.71 -0.15 0.00 -1.33 0.00 0.00 58.87 55.67 1kya n SER 179 Cb 0.41 0.07 -0.01 0.00 -0.75 0.00 0.00 64.21 63.93 1kya n SER 179 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 1kya n THR 180 N 0.86 0.27 0.96 2.46 -1.04 0.42 -4.94 114.28 113.27 1kya n THR 180 Ca 0.10 -4.13 0.08 0.00 -2.04 0.00 0.00 64.05 58.06 1kya n THR 180 Cb 0.45 0.00 0.46 0.00 -1.82 0.00 0.00 70.33 69.42 1kya n THR 180 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1kya n THR 181 N 0.16 0.07 0.09 12.58 -2.24 -1.23 -2.10 114.28 121.61 1kya n THR 181 Ca 0.20 0.02 0.07 0.00 -2.27 0.00 0.00 64.05 62.06 1kya n THR 181 Cb 0.71 -0.77 0.13 0.00 -2.10 0.00 0.00 70.33 68.30 1kya n THR 181 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1kya n THR 182 N -1.03 0.61 -2.05 4.28 -2.24 -1.26 -4.85 114.28 107.74 1kya n THR 182 Ca 0.11 -0.81 -0.39 0.00 -2.27 0.00 0.00 64.05 60.70 1kya n THR 182 Cb 0.06 0.80 0.00 0.00 -2.10 0.00 0.00 70.33 69.10 1kya n THR 182 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1kya s ALA 183 N -1.04 3.13 0.34 6.98 0.00 -0.89 -4.93 121.76 125.35 1kya s ALA 183 Ca 0.23 1.19 -0.29 0.00 0.00 0.00 0.00 51.96 53.09 1kya s ALA 183 Cb 0.13 -3.48 -0.11 0.00 0.00 0.00 0.00 23.12 19.66 1kya s ALA 183 CO 0.18 -0.88 1.55 -0.25 0.00 0.00 0.00 175.76 176.35 1kya n ASP 184 N -0.18 3.86 -4.94 0.00 8.00 -1.26 -4.84 116.55 117.19 1kya n ASP 184 Ca 0.05 1.19 -0.21 0.00 0.71 0.00 0.00 54.79 56.53 1kya n ASP 184 Cb 0.45 -1.61 -0.02 0.00 -0.02 0.00 0.00 41.12 39.91 1kya n ASP 184 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1kya s LEU 185 N -1.26 4.14 0.38 0.64 1.43 -1.26 -3.94 118.68 118.81 1kya s LEU 185 Ca 0.59 -0.05 -0.24 0.00 -1.03 0.00 0.00 54.13 53.40 1kya s LEU 185 Cb -0.48 -2.72 -0.10 0.00 0.03 0.00 0.00 46.19 42.92 1kya s LEU 185 CO 0.56 -0.13 0.97 -0.44 0.23 0.00 0.00 176.35 177.54 1kya s SER 186 N -3.98 7.05 -0.09 2.29 0.01 -1.26 -4.92 113.70 112.80 1kya s SER 186 Ca 0.36 1.83 0.03 0.00 1.31 0.00 0.00 55.95 59.48 1kya s SER 186 Cb -0.09 -2.57 0.01 0.00 0.21 0.00 0.00 66.02 63.58 1kya s SER 186 CO 0.28 -0.28 -0.19 -0.69 0.41 0.00 0.00 173.24 172.77 1kya s VAL 187 N -1.83 1.72 -0.22 3.43 1.01 -1.26 -1.01 120.40 122.24 1kya s VAL 187 Ca 0.56 -0.81 -0.03 0.00 0.00 0.00 0.00 61.98 61.71 1kya s VAL 187 Cb -0.16 -1.51 0.00 0.00 0.00 0.00 0.00 36.38 34.71 1kya s VAL 187 CO 0.21 0.48 -0.07 -0.63 0.00 0.00 0.00 175.10 175.09 1kya s ILE 188 N 0.54 3.05 0.06 2.22 1.01 0.20 -4.97 121.20 123.31 1kya s ILE 188 Ca -0.15 -0.69 -0.14 0.00 0.00 0.00 0.00 60.65 59.67 1kya s ILE 188 Cb -0.17 -2.41 -0.06 0.00 0.01 0.00 0.00 42.46 39.83 1kya s ILE 188 CO 0.05 0.39 0.45 -0.44 0.00 0.00 0.00 174.94 175.39 1kya s SER 189 N 1.41 6.79 0.02 3.58 0.01 -1.26 -0.91 113.70 123.34 1kya s SER 189 Ca 0.04 0.97 0.00 0.00 1.31 0.00 0.00 55.95 58.28 1kya s SER 189 Cb -0.15 -2.25 -0.01 0.00 0.21 0.00 0.00 66.02 63.82 1kya s SER 189 CO -0.05 0.24 -0.03 0.68 0.41 0.00 0.00 173.24 174.49 1kya s VAL 190 N -1.24 0.15 -0.08 3.43 -7.23 -1.07 -4.95 120.40 109.41 1kya s VAL 190 Ca 0.29 -0.63 -0.00 0.00 -1.81 0.00 0.00 61.98 59.83 1kya s VAL 190 Cb -0.16 -0.23 -0.03 0.00 0.56 0.00 0.00 36.38 36.52 1kya s VAL 190 CO 0.16 -0.31 -0.04 0.42 -0.31 0.00 0.00 175.10 175.02 1kya s THR 191 N -0.95 3.92 0.24 5.32 -4.23 -1.26 -1.66 115.64 117.02 1kya s THR 191 Ca -0.10 -0.39 -0.29 0.00 -1.18 0.00 0.00 61.69 59.73 1kya s THR 191 Cb -0.07 -2.62 -0.15 0.00 1.34 0.00 0.00 72.50 71.00 1kya s THR 191 CO -0.01 0.60 0.87 -2.65 -0.54 0.00 0.00 174.62 172.89 1kya n PRO 192 N 2.27 0.87 -0.10 3.99 -0.02 -1.26 -1.66 135.00 139.08 1kya n PRO 192 Ca -0.18 0.31 0.00 0.00 -2.02 0.00 0.00 63.50 61.61 1kya n PRO 192 Cb 0.53 -1.58 0.00 0.00 -0.02 0.00 0.00 33.50 32.44 1kya n PRO 192 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1kya n GLY 193 N 1.57 2.44 3.88 -1.23 0.00 0.18 -5.00 105.19 107.04 1kya n GLY 193 Ca 0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.82 1kya n GLY 193 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1kya s LYS 194 N -0.01 3.70 -0.11 1.61 1.02 -0.66 -4.85 119.74 120.44 1kya s LYS 194 Ca 0.00 0.08 -0.04 0.00 0.02 0.00 0.00 55.97 56.03 1kya s LYS 194 Cb 0.00 -2.91 -0.04 0.00 -0.52 0.00 0.00 37.83 34.36 1kya s LYS 194 CO 0.00 0.51 0.04 1.03 -0.92 0.00 0.00 175.35 176.01 1kya s ARG 195 N -2.27 3.28 -0.03 1.68 0.52 -1.26 -0.84 118.95 120.03 1kya s ARG 195 Ca 0.37 -0.34 0.05 0.00 -0.52 0.00 0.00 55.73 55.29 1kya s ARG 195 Cb -0.13 -2.96 -0.01 0.00 0.52 0.00 0.00 34.95 32.37 1kya s ARG 195 CO 0.21 0.63 -0.19 0.71 0.02 0.00 0.00 175.30 176.68 1kya s TYR 196 N -0.66 1.81 -0.68 -0.53 1.51 0.37 -0.89 117.35 118.28 1kya s TYR 196 Ca 0.11 -0.46 -0.19 0.00 -1.01 0.00 0.00 57.07 55.52 1kya s TYR 196 Cb -0.12 -1.20 0.12 0.00 -0.11 0.00 0.00 41.96 40.65 1kya s TYR 196 CO 0.02 -0.12 0.81 0.50 -1.11 0.00 0.00 175.55 175.65 1kya s ARG 197 N -0.16 3.21 0.01 -0.62 3.52 -0.14 -1.28 118.95 123.49 1kya s ARG 197 Ca 0.00 -1.49 -0.25 0.00 -0.13 0.00 0.00 55.73 53.86 1kya s ARG 197 Cb -0.10 -4.39 -0.05 0.00 -1.56 0.00 0.00 34.95 28.84 1kya s ARG 197 CO 0.01 -1.58 0.76 -0.06 -0.81 0.00 0.00 175.30 173.63 1kya s PHE 198 N 2.50 3.69 -0.48 5.12 0.08 -0.30 -4.73 117.98 123.86 1kya s PHE 198 Ca 0.17 1.43 -0.09 0.00 0.12 0.00 0.00 56.93 58.56 1kya s PHE 198 Cb -0.19 -2.84 0.12 0.00 -0.57 0.00 0.00 43.02 39.55 1kya s PHE 198 CO 0.02 0.20 0.35 1.03 -0.10 0.00 0.00 175.22 176.72 1kya s ARG 199 N 0.25 2.47 -0.27 0.44 0.52 0.13 -1.30 118.95 121.19 1kya s ARG 199 Ca 0.39 -1.81 -0.24 0.00 -0.52 0.00 0.00 55.73 53.55 1kya s ARG 199 Cb -0.20 -3.91 -0.00 0.00 0.52 0.00 0.00 34.95 31.36 1kya s ARG 199 CO 0.22 -1.19 0.81 -1.17 0.02 0.00 0.00 175.30 173.99 1kya s LEU 200 N 1.28 4.07 -0.07 2.53 2.96 0.35 -0.21 118.68 129.60 1kya s LEU 200 Ca 0.06 0.87 0.03 0.00 -0.22 0.00 0.00 54.13 54.88 1kya s LEU 200 Cb -0.26 -3.14 0.01 0.00 0.50 0.00 0.00 46.19 43.30 1kya s LEU 200 CO -0.01 -0.56 -0.15 -0.69 -1.32 0.00 0.00 176.35 173.61 1kya s VAL 201 N 2.91 1.33 -0.27 1.68 1.01 0.16 -1.05 120.40 126.17 1kya s VAL 201 Ca 0.34 -0.60 -0.14 0.00 0.00 0.00 0.00 61.98 61.57 1kya s VAL 201 Cb -0.15 -1.18 -0.04 0.00 0.00 0.00 0.00 36.38 35.01 1kya s VAL 201 CO 0.10 0.40 0.34 -0.55 0.00 0.00 0.00 175.10 175.39 1kya s SER 202 N 0.50 6.21 -0.24 3.32 0.15 -0.77 -0.96 113.70 121.92 1kya s SER 202 Ca -0.13 0.22 0.14 0.00 0.70 0.00 0.00 55.95 56.88 1kya s SER 202 Cb -0.15 -2.20 0.65 0.00 -1.71 0.00 0.00 66.02 62.62 1kya s SER 202 CO 0.04 -0.17 1.60 0.18 1.20 0.00 0.00 173.24 176.09 1kya n LEU 203 N 5.29 4.89 -4.75 3.45 4.77 -0.11 -2.14 117.00 128.40 1kya n LEU 203 Ca -0.09 -3.11 -0.36 0.00 -0.03 0.00 0.00 56.01 52.42 1kya n LEU 203 Cb 0.51 -0.64 0.04 0.00 -2.33 0.00 0.00 43.42 41.00 1kya n LEU 203 CO 0.37 0.74 0.83 -0.55 -1.33 0.00 0.00 177.39 177.45 1kya s SER 204 N -1.49 5.17 -0.00 -1.43 0.15 -1.21 -4.73 113.70 110.15 1kya s SER 204 Ca 0.49 2.37 0.22 0.00 0.70 0.00 0.00 55.95 59.72 1kya s SER 204 Cb 0.39 -2.60 -0.27 0.00 -1.71 0.00 0.00 66.02 61.84 1kya s SER 204 CO 0.11 -1.61 0.65 0.00 1.20 0.00 0.00 173.24 173.59 1kya n ASP 206 N -2.09 -1.93 -4.74 0.00 -0.08 -1.26 -0.19 116.55 106.26 1kya n ASP 206 Ca -0.02 0.53 -0.42 0.00 -1.51 0.00 0.00 54.79 53.38 1kya n ASP 206 Cb 0.50 1.95 -0.00 0.00 2.34 0.00 0.00 41.12 45.91 1kya n ASP 206 CO 0.00 0.00 0.00 -2.65 0.12 0.00 0.00 177.20 174.67 1kya n PRO 207 N -3.16 2.37 -4.03 -0.67 -0.02 -1.26 -4.79 135.00 123.44 1kya n PRO 207 Ca 0.00 0.83 -0.24 0.00 -2.02 0.00 0.00 63.50 62.07 1kya n PRO 207 Cb 0.00 -2.51 -0.04 0.00 -0.02 0.00 0.00 33.50 30.93 1kya n PRO 207 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1kya s ASN 208 N -0.26 5.90 0.04 2.55 4.22 -1.26 -4.08 114.94 122.05 1kya s ASN 208 Ca 0.55 -0.04 0.08 0.00 -2.14 0.00 0.00 52.86 51.31 1kya s ASN 208 Cb -0.51 -1.64 -0.03 0.00 1.28 0.00 0.00 41.25 40.35 1kya s ASN 208 CO 0.62 0.01 -0.22 -0.31 -2.04 0.00 0.00 177.10 175.16 1kya s TYR 209 N -1.88 1.96 -0.51 1.54 2.02 0.40 -2.26 117.35 118.62 1kya s TYR 209 Ca 0.33 -0.38 -0.16 0.00 -0.37 0.00 0.00 57.07 56.49 1kya s TYR 209 Cb -0.10 -1.18 0.11 0.00 -0.40 0.00 0.00 41.96 40.39 1kya s TYR 209 CO 0.26 0.09 0.46 0.99 -1.57 0.00 0.00 175.55 175.78 1kya s THR 210 N -0.77 5.21 -0.12 -0.71 2.01 -0.39 0.24 115.64 121.10 1kya s THR 210 Ca 0.09 -1.31 -0.13 0.00 0.31 0.00 0.00 61.69 60.65 1kya s THR 210 Cb -0.09 -4.26 -0.05 0.00 0.01 0.00 0.00 72.50 68.12 1kya s THR 210 CO 0.02 -0.76 0.29 0.12 -0.69 0.00 0.00 174.62 173.60 1kya s PHE 211 N 1.64 3.53 0.13 4.92 5.36 0.36 -2.04 117.98 131.88 1kya s PHE 211 Ca 0.04 0.66 -0.17 0.00 -0.96 0.00 0.00 56.93 56.49 1kya s PHE 211 Cb -0.28 -2.27 0.04 0.00 -0.34 0.00 0.00 43.02 40.18 1kya s PHE 211 CO 0.05 0.39 0.43 -1.54 -1.46 0.00 0.00 175.22 173.09 1kya s SER 212 N -0.06 -0.28 -0.13 6.13 1.04 -0.32 -0.37 113.70 119.71 1kya s SER 212 Ca 0.17 -0.28 -0.01 0.00 0.48 0.00 0.00 55.95 56.32 1kya s SER 212 Cb -0.13 0.49 0.03 0.00 0.10 0.00 0.00 66.02 66.51 1kya s SER 212 CO 0.06 -0.87 -0.05 -0.63 0.98 0.00 0.00 173.24 172.72 1kya s ILE 213 N -3.80 0.94 0.14 -1.02 1.01 -1.26 -0.56 121.20 116.65 1kya s ILE 213 Ca 0.03 -0.38 -0.34 0.00 0.00 0.00 0.00 60.65 59.96 1kya s ILE 213 Cb 0.01 -1.07 -0.15 0.00 0.01 0.00 0.00 42.46 41.26 1kya s ILE 213 CO -0.12 0.23 1.36 0.47 0.00 0.00 0.00 174.94 176.88 1kya n ASP 214 N 4.95 2.03 0.00 3.58 8.00 -0.77 -1.85 116.55 132.50 1kya n ASP 214 Ca -0.11 1.12 0.00 0.00 0.71 0.00 0.00 54.79 56.51 1kya n ASP 214 Cb 0.49 -1.28 0.00 0.00 -0.02 0.00 0.00 41.12 40.31 1kya n ASP 214 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1kya n GLY 215 N 2.53 0.40 3.22 0.44 0.00 -1.26 -4.78 105.19 105.74 1kya n GLY 215 Ca 0.16 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.97 1kya n GLY 215 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1kya s HIS 216 N -2.07 1.49 0.47 1.61 3.76 -0.77 -4.93 115.29 114.85 1kya s HIS 216 Ca 0.00 -0.42 0.08 0.00 -0.15 0.00 0.00 55.06 54.57 1kya s HIS 216 Cb 0.00 -0.84 0.03 0.00 1.11 0.00 0.00 32.58 32.88 1kya s HIS 216 CO 0.00 0.11 0.65 -0.80 -0.85 0.00 0.00 174.74 173.85 1kya s ASN 217 N -1.65 5.47 -0.07 1.40 0.01 -1.26 -4.61 114.94 114.23 1kya s ASN 217 Ca 0.03 -0.53 -0.03 0.00 -0.71 0.00 0.00 52.86 51.62 1kya s ASN 217 Cb -0.10 -0.39 0.04 0.00 0.41 0.00 0.00 41.25 41.22 1kya s ASN 217 CO 0.03 -0.95 0.15 -0.04 -1.51 0.00 0.00 177.10 174.77 1kya s MET 218 N -4.46 0.07 -0.48 -0.60 -1.94 0.23 -4.75 119.30 107.37 1kya s MET 218 Ca 0.57 0.43 -0.15 0.00 -1.71 0.00 0.00 55.69 54.83 1kya s MET 218 Cb -0.09 -0.21 0.08 0.00 2.01 0.00 0.00 34.83 36.62 1kya s MET 218 CO 0.35 -0.21 0.40 0.99 -0.01 0.00 0.00 175.02 176.54 1kya s THR 219 N 1.51 5.14 0.12 2.05 2.01 -0.75 0.87 115.64 126.59 1kya s THR 219 Ca -0.05 -1.16 -0.31 0.00 0.31 0.00 0.00 61.69 60.48 1kya s THR 219 Cb -0.12 -4.11 -0.08 0.00 0.01 0.00 0.00 72.50 68.20 1kya s THR 219 CO -0.06 -0.62 1.44 -0.63 -0.69 0.00 0.00 174.62 174.06 1kya s ILE 220 N 1.62 3.15 0.00 1.82 1.01 -0.04 -0.20 121.20 128.55 1kya s ILE 220 Ca 0.04 0.82 0.00 0.00 0.00 0.00 0.00 60.65 61.50 1kya s ILE 220 Cb -0.25 -3.52 0.00 0.00 0.01 0.00 0.00 42.46 38.70 1kya s ILE 220 CO 0.06 0.06 0.44 2.30 0.00 0.00 0.00 174.94 177.80 1kya n ILE 221 N 3.99 0.16 -3.65 2.92 -5.35 0.18 -2.13 119.36 115.47 1kya n ILE 221 Ca 0.12 -0.40 -0.12 0.00 -0.27 0.00 0.00 62.75 62.08 1kya n ILE 221 Cb 0.41 1.20 -0.08 0.00 -1.74 0.00 0.00 39.64 39.43 1kya n ILE 221 CO 0.00 0.00 0.00 -0.70 -1.76 0.00 0.00 176.55 174.09 1kya s GLU 222 N -0.16 0.74 -0.08 6.28 2.12 -1.16 -1.35 118.70 125.10 1kya s GLU 222 Ca 0.00 0.99 -0.01 0.00 0.36 0.00 0.00 54.97 56.30 1kya s GLU 222 Cb 0.00 0.31 0.03 0.00 0.26 0.00 0.00 34.13 34.73 1kya s GLU 222 CO 0.00 -0.11 -0.00 -0.08 -0.54 0.00 0.00 175.26 174.53 1kya s THR 223 N 0.69 0.42 -1.49 -1.70 -1.32 -0.66 -1.74 115.64 109.85 1kya s THR 223 Ca -0.03 0.05 -0.07 0.00 -1.21 0.00 0.00 61.69 60.44 1kya s THR 223 Cb -0.05 -0.60 0.05 0.00 -1.51 0.00 0.00 72.50 70.40 1kya s THR 223 CO -0.04 0.24 0.64 0.47 -2.21 0.00 0.00 174.62 173.71 1kya n ASP 224 N 5.13 -1.93 0.00 8.08 9.92 -0.70 -0.92 116.55 136.12 1kya n ASP 224 Ca -0.07 -0.94 0.00 0.00 -0.53 0.00 0.00 54.79 53.24 1kya n ASP 224 Cb 0.50 -3.26 0.00 0.00 -0.64 0.00 0.00 41.12 37.72 1kya n ASP 224 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 1kya n SER 225 N -2.89 0.00 -4.61 -2.24 7.64 -1.26 -4.47 113.62 105.79 1kya n SER 225 Ca -0.15 0.00 -0.36 0.00 1.01 0.00 0.00 58.87 59.36 1kya n SER 225 Cb 0.61 -0.08 -0.10 0.00 -1.01 0.00 0.00 64.21 63.63 1kya n SER 225 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1kya s ILE 226 N -3.77 5.06 0.17 0.44 1.09 -0.10 -4.64 121.20 119.45 1kya s ILE 226 Ca 0.00 0.08 -0.33 0.00 -1.10 0.00 0.00 60.65 59.29 1kya s ILE 226 Cb 0.00 -3.35 -0.13 0.00 -1.06 0.00 0.00 42.46 37.91 1kya s ILE 226 CO 0.00 0.35 1.60 0.59 -0.10 0.00 0.00 174.94 177.38 1kya n ASN 227 N 4.38 3.27 -4.33 3.58 3.02 -1.26 -1.65 115.26 122.27 1kya n ASN 227 Ca -0.15 1.08 -0.30 0.00 -0.03 0.00 0.00 54.58 55.18 1kya n ASN 227 Cb 0.52 -1.46 -0.15 0.00 -0.61 0.00 0.00 39.78 38.08 1kya n ASN 227 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1kya s THR 228 N 0.94 2.10 0.30 3.41 2.01 -0.45 0.14 115.64 124.09 1kya s THR 228 Ca 0.78 -1.34 -0.30 0.00 0.31 0.00 0.00 61.69 61.14 1kya s THR 228 Cb -0.64 -1.79 -0.12 0.00 0.01 0.00 0.00 72.50 69.96 1kya s THR 228 CO 0.37 0.39 1.50 0.00 -0.69 0.00 0.00 174.62 176.19 1kya n ALA 229 N 1.87 2.04 -1.62 7.40 0.00 0.32 -4.51 120.51 126.01 1kya n ALA 229 Ca -0.17 0.38 -0.50 0.00 0.00 0.00 0.00 53.44 53.15 1kya n ALA 229 Cb 0.52 -2.39 -0.05 0.00 0.00 0.00 0.00 19.45 17.53 1kya n ALA 229 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1kya n PRO 230 N 1.70 1.50 -3.75 0.00 -0.02 -1.26 -4.74 135.00 128.44 1kya n PRO 230 Ca 0.08 0.54 -0.24 0.00 -2.02 0.00 0.00 63.50 61.86 1kya n PRO 230 Cb 0.36 -2.23 -0.17 0.00 -0.02 0.00 0.00 33.50 31.43 1kya n PRO 230 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1kya s LEU 231 N 0.64 0.74 -0.13 2.45 2.96 -0.90 -4.96 118.68 119.48 1kya s LEU 231 Ca 0.82 -0.33 -0.29 0.00 -0.22 0.00 0.00 54.13 54.11 1kya s LEU 231 Cb -0.86 -0.47 -0.01 0.00 0.50 0.00 0.00 46.19 45.35 1kya s LEU 231 CO 0.44 -0.24 1.08 -0.69 -1.32 0.00 0.00 176.35 175.62 1kya s VAL 232 N 1.95 4.60 0.14 1.68 1.01 -1.26 -0.86 120.40 127.65 1kya s VAL 232 Ca 0.03 1.90 0.06 0.00 0.00 0.00 0.00 61.98 63.97 1kya s VAL 232 Cb -0.14 -4.22 -0.04 0.00 0.00 0.00 0.00 36.38 31.98 1kya s VAL 232 CO -0.06 -0.05 -0.14 -0.69 0.00 0.00 0.00 175.10 174.16 1kya s VAL 233 N 2.43 1.40 -0.16 2.92 1.01 0.25 -4.96 120.40 123.29 1kya s VAL 233 Ca 0.50 -1.81 -0.08 0.00 0.00 0.00 0.00 61.98 60.58 1kya s VAL 233 Cb -0.19 -1.64 -0.23 0.00 0.00 0.00 0.00 36.38 34.32 1kya s VAL 233 CO 0.16 -0.46 0.23 -0.67 0.00 0.00 0.00 175.10 174.36 1kya n ASP 234 N 0.36 2.06 -3.62 3.32 2.03 0.97 -0.60 116.55 121.07 1kya n ASP 234 Ca -0.14 0.20 -0.11 0.00 0.52 0.00 0.00 54.79 55.26 1kya n ASP 234 Cb 0.58 -0.82 -0.05 0.00 -0.72 0.00 0.00 41.12 40.12 1kya n ASP 234 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 1kya s SER 235 N -6.96 -0.26 -0.07 1.67 1.04 -1.25 -4.64 113.70 103.23 1kya s SER 235 Ca -0.26 -0.26 0.02 0.00 0.48 0.00 0.00 55.95 55.93 1kya s SER 235 Cb 0.07 0.48 0.01 0.00 0.10 0.00 0.00 66.02 66.68 1kya s SER 235 CO 0.71 -0.84 -0.12 -0.63 0.98 0.00 0.00 173.24 173.34 1kya s ILE 236 N -3.66 1.12 -0.39 -1.02 1.01 0.50 -1.34 121.20 117.42 1kya s ILE 236 Ca 0.02 -0.46 -0.14 0.00 0.00 0.00 0.00 60.65 60.07 1kya s ILE 236 Cb 0.01 -1.04 0.02 0.00 0.01 0.00 0.00 42.46 41.46 1kya s ILE 236 CO -0.11 0.35 0.27 -1.58 0.00 0.00 0.00 174.94 173.88 1kya s GLN 237 N 0.74 3.03 -0.18 2.79 0.74 -1.26 0.13 119.66 125.66 1kya s GLN 237 Ca -0.13 -0.97 -0.03 0.00 0.05 0.00 0.00 55.36 54.29 1kya s GLN 237 Cb -0.16 -3.90 -0.01 0.00 1.10 0.00 0.00 33.01 30.04 1kya s GLN 237 CO 0.03 -0.69 -0.07 -1.50 -0.55 0.00 0.00 175.29 172.51 1kya s ILE 238 N 1.66 3.35 0.61 -2.34 2.07 0.14 -4.94 121.20 121.75 1kya s ILE 238 Ca 0.05 -0.53 -0.03 0.00 -1.41 0.00 0.00 60.65 58.73 1kya s ILE 238 Cb -0.19 -2.48 0.04 0.00 0.13 0.00 0.00 42.46 39.96 1kya s ILE 238 CO 0.09 0.47 0.88 -0.36 -1.91 0.00 0.00 174.94 174.11 1kya s PHE 239 N 0.91 2.96 0.12 3.50 0.40 -1.26 -0.45 117.98 124.16 1kya s PHE 239 Ca -0.01 0.27 -0.35 0.00 -0.60 0.00 0.00 56.93 56.23 1kya s PHE 239 Cb -0.15 -2.89 -0.16 0.00 0.51 0.00 0.00 43.02 40.34 1kya s PHE 239 CO 0.01 -1.03 1.36 0.00 0.70 0.00 0.00 175.22 176.25 1kya n ALA 240 N -2.58 -0.40 -0.67 5.36 0.00 -1.26 -1.55 120.51 119.42 1kya n ALA 240 Ca 0.07 0.49 0.00 0.00 0.00 0.00 0.00 53.44 54.00 1kya n ALA 240 Cb 0.60 -2.13 0.00 0.00 0.00 0.00 0.00 19.45 17.92 1kya n ALA 240 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1kya n ALA 241 N 2.50 0.00 -1.80 0.00 0.00 -0.91 -4.91 120.51 115.40 1kya n ALA 241 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.32 1kya n ALA 241 Cb 0.22 -0.31 0.08 0.00 0.00 0.00 0.00 19.45 19.44 1kya n ALA 241 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1kya s GLN 242 N -0.28 2.15 0.03 0.00 -0.21 -0.60 -4.78 119.66 115.98 1kya s GLN 242 Ca 0.00 0.32 -0.06 0.00 0.02 0.00 0.00 55.36 55.65 1kya s GLN 242 Cb 0.00 -1.95 -0.01 0.00 1.00 0.00 0.00 33.01 32.05 1kya s GLN 242 CO 0.00 -1.50 0.10 1.03 -2.12 0.00 0.00 175.29 172.80 1kya s ARG 243 N -5.41 0.57 -0.19 2.91 3.00 -1.26 -1.84 118.95 116.73 1kya s ARG 243 Ca 0.61 -0.70 -0.12 0.00 0.00 0.00 0.00 55.73 55.52 1kya s ARG 243 Cb -0.12 0.23 0.06 0.00 0.00 0.00 0.00 34.95 35.11 1kya s ARG 243 CO 0.51 -0.14 0.47 0.71 0.00 0.00 0.00 175.30 176.85 1kya s TYR 244 N -2.42 -0.64 -0.18 -0.53 2.02 -0.21 -1.73 117.35 113.65 1kya s TYR 244 Ca -0.06 1.40 -0.09 0.00 -0.37 0.00 0.00 57.07 57.94 1kya s TYR 244 Cb -0.02 0.29 -0.05 0.00 -0.40 0.00 0.00 41.96 41.78 1kya s TYR 244 CO -0.04 -0.34 0.12 -1.12 -1.57 0.00 0.00 175.55 172.60 1kya s SER 245 N 1.12 6.14 0.00 2.29 0.01 -0.71 -0.49 113.70 122.06 1kya s SER 245 Ca -0.07 0.24 0.01 0.00 1.31 0.00 0.00 55.95 57.44 1kya s SER 245 Cb -0.07 -2.06 -0.01 0.00 0.21 0.00 0.00 66.02 64.10 1kya s SER 245 CO -0.10 0.21 -0.04 0.72 0.41 0.00 0.00 173.24 174.44 1kya s PHE 246 N 0.15 0.34 -0.10 2.43 -0.12 -0.42 -0.65 117.98 119.61 1kya s PHE 246 Ca 0.08 -0.13 -0.15 0.00 -0.05 0.00 0.00 56.93 56.68 1kya s PHE 246 Cb -0.11 -0.22 -0.05 0.00 -0.63 0.00 0.00 43.02 42.01 1kya s PHE 246 CO -0.01 -0.02 0.36 0.08 -0.05 0.00 0.00 175.22 175.58 1kya s VAL 247 N -0.30 5.22 -0.08 -2.49 1.01 0.71 -1.15 120.40 123.32 1kya s VAL 247 Ca -0.01 0.71 0.03 0.00 0.00 0.00 0.00 61.98 62.70 1kya s VAL 247 Cb -0.03 -3.68 0.01 0.00 0.00 0.00 0.00 36.38 32.68 1kya s VAL 247 CO -0.00 0.44 -0.17 -0.22 0.00 0.00 0.00 175.10 175.15 1kya s LEU 248 N -0.00 1.81 -0.26 3.92 0.20 -0.40 -1.81 118.68 122.13 1kya s LEU 248 Ca 0.21 -0.40 -0.11 0.00 0.69 0.00 0.00 54.13 54.53 1kya s LEU 248 Cb -0.14 -1.04 -0.05 0.00 -0.43 0.00 0.00 46.19 44.52 1kya s LEU 248 CO 0.08 0.08 0.17 -1.61 -0.29 0.00 0.00 176.35 174.78 1kya s GLU 249 N 0.55 4.00 -1.25 1.98 2.02 -1.26 -0.47 118.70 124.27 1kya s GLU 249 Ca -0.16 -0.30 -0.18 0.00 0.02 0.00 0.00 54.97 54.35 1kya s GLU 249 Cb -0.17 -3.58 -0.01 0.00 0.10 0.00 0.00 34.13 30.48 1kya s GLU 249 CO 0.06 -0.05 2.02 0.00 0.02 0.00 0.00 175.26 177.31 1kya n ALA 250 N 4.62 4.21 0.06 5.21 0.00 -0.02 -4.47 120.51 130.12 1kya n ALA 250 Ca -0.15 -3.66 0.06 0.00 0.00 0.00 0.00 53.44 49.68 1kya n ALA 250 Cb 0.52 -3.57 0.11 0.00 0.00 0.00 0.00 19.45 16.51 1kya n ALA 250 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1kya n ASN 251 N 7.79 2.55 -4.92 0.00 0.23 -1.26 -0.64 115.26 119.00 1kya n ASN 251 Ca 0.50 -1.80 -0.21 0.00 -0.53 0.00 0.00 54.58 52.54 1kya n ASN 251 Cb 0.42 -0.15 0.05 0.00 -2.08 0.00 0.00 39.78 38.02 1kya n ASN 251 CO 0.00 0.00 0.00 -1.10 -0.93 0.00 0.00 177.26 175.23 1kya s GLN 252 N -0.97 2.38 0.35 -3.83 -1.52 -1.26 -5.02 119.66 109.79 1kya s GLN 252 Ca 0.19 -1.00 -0.29 0.00 -1.95 0.00 0.00 55.36 52.31 1kya s GLN 252 Cb 0.11 -2.51 -0.11 0.00 -0.22 0.00 0.00 33.01 30.28 1kya s GLN 252 CO 0.15 -0.82 1.52 0.00 -0.25 0.00 0.00 175.29 175.90 1kya n ALA 253 N -2.36 2.44 -1.65 6.09 0.00 -1.26 -4.84 120.51 118.91 1kya n ALA 253 Ca 0.10 0.35 -0.51 0.00 0.00 0.00 0.00 53.44 53.38 1kya n ALA 253 Cb 0.60 -2.43 -0.06 0.00 0.00 0.00 0.00 19.45 17.56 1kya n ALA 253 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1kya n VAL 254 N 1.00 0.45 -3.90 0.00 0.31 -1.26 -4.84 118.33 110.09 1kya n VAL 254 Ca 0.04 -0.13 0.01 0.00 -0.01 0.00 0.00 64.34 64.25 1kya n VAL 254 Cb 0.38 -1.70 0.01 0.00 -0.91 0.00 0.00 33.84 31.63 1kya n VAL 254 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1kya n ASP 255 N 6.98 -0.96 -4.66 4.52 -0.08 -1.26 -4.86 116.55 116.22 1kya n ASP 255 Ca 0.27 -1.32 -0.35 0.00 -1.51 0.00 0.00 54.79 51.88 1kya n ASP 255 Cb 0.25 1.52 -0.09 0.00 2.34 0.00 0.00 41.12 45.13 1kya n ASP 255 CO 0.00 0.00 0.00 0.20 0.12 0.00 0.00 177.20 177.52 1kya s ASN 256 N -2.93 5.68 -0.02 1.67 0.01 -1.26 -2.22 114.94 115.86 1kya s ASN 256 Ca 0.20 0.12 0.07 0.00 -0.71 0.00 0.00 52.86 52.54 1kya s ASN 256 Cb -0.01 -1.94 -0.02 0.00 0.41 0.00 0.00 41.25 39.69 1kya s ASN 256 CO 0.01 0.21 -0.21 -0.31 -1.51 0.00 0.00 177.10 175.28 1kya s TYR 257 N 0.17 1.93 0.12 2.20 1.51 0.88 -4.47 117.35 119.68 1kya s TYR 257 Ca 0.05 -0.37 -0.30 0.00 -1.01 0.00 0.00 57.07 55.43 1kya s TYR 257 Cb -0.12 -1.24 -0.07 0.00 -0.11 0.00 0.00 41.96 40.42 1kya s TYR 257 CO 0.00 -0.04 1.22 -1.58 -1.11 0.00 0.00 175.55 174.04 1kya s TRP 258 N -0.49 3.42 -0.33 2.71 0.23 -1.26 -0.75 118.94 122.47 1kya s TRP 258 Ca 0.08 1.32 -0.09 0.00 -2.03 0.00 0.00 56.10 55.38 1kya s TRP 258 Cb -0.08 -3.45 0.01 0.00 0.03 0.00 0.00 33.47 29.98 1kya s TRP 258 CO -0.01 -1.35 0.14 0.42 0.96 0.00 0.00 176.95 177.12 1kya s ILE 259 N 0.62 4.33 -0.09 2.03 1.01 -0.44 -1.84 121.20 126.81 1kya s ILE 259 Ca 0.57 -0.70 -0.03 0.00 0.00 0.00 0.00 60.65 60.49 1kya s ILE 259 Cb -0.31 -3.30 -0.03 0.00 0.01 0.00 0.00 42.46 38.82 1kya s ILE 259 CO 0.32 -0.04 0.04 -0.13 0.00 0.00 0.00 174.94 175.13 1kya s ARG 260 N 1.54 3.10 -0.40 2.79 0.52 0.27 -0.88 118.95 125.89 1kya s ARG 260 Ca 0.03 -0.34 0.03 0.00 -0.52 0.00 0.00 55.73 54.93 1kya s ARG 260 Cb -0.18 -2.89 0.16 0.00 0.52 0.00 0.00 34.95 32.56 1kya s ARG 260 CO 0.05 0.72 0.31 0.00 0.02 0.00 0.00 175.30 176.40 1kya s ALA 261 N -0.92 1.33 -0.33 2.13 0.00 -0.73 -1.18 121.76 122.06 1kya s ALA 261 Ca 0.14 -2.33 -0.26 0.00 0.00 0.00 0.00 51.96 49.51 1kya s ALA 261 Cb -0.11 -1.61 0.01 0.00 0.00 0.00 0.00 23.12 21.41 1kya s ALA 261 CO 0.03 -2.01 0.90 1.21 0.00 0.00 0.00 175.76 175.89 1kya s ASN 262 N 0.29 6.73 0.58 0.00 2.47 -0.87 -4.76 114.94 119.38 1kya s ASN 262 Ca 0.29 0.71 -0.16 0.00 0.42 0.00 0.00 52.86 54.11 1kya s ASN 262 Cb -0.03 -2.46 -0.04 0.00 -1.45 0.00 0.00 41.25 37.27 1kya s ASN 262 CO -0.14 -0.77 1.06 -2.16 -3.72 0.00 0.00 177.10 171.36 1kya s PRO 263 N 3.31 3.36 0.52 0.43 0.04 -1.26 -1.26 135.00 140.14 1kya s PRO 263 Ca 0.37 1.23 0.31 0.00 0.04 0.00 0.00 61.00 62.95 1kya s PRO 263 Cb -0.13 -2.04 1.27 0.00 0.04 0.00 0.00 34.50 33.65 1kya s PRO 263 CO 0.16 -0.78 1.96 -2.95 0.04 0.00 0.00 177.00 175.42 1kya h ASN 264 N 0.56 0.00 -5.06 6.66 -1.07 -1.82 -3.45 115.58 111.40 1kya h ASN 264 Ca -0.47 0.00 -0.01 0.00 0.07 0.00 0.00 56.30 55.89 1kya h ASN 264 Cb 1.22 0.00 -0.10 0.00 -2.07 0.00 0.00 38.32 37.37 1kya h ASN 264 CO 0.58 0.06 0.09 0.72 0.07 0.00 0.00 177.43 178.95 1kya s PHE 265 N -3.70 -0.21 0.00 4.14 -0.12 -1.26 -5.05 117.98 111.78 1kya s PHE 265 Ca 0.01 -0.12 0.00 0.00 -0.05 0.00 0.00 56.93 56.76 1kya s PHE 265 Cb 0.10 0.46 0.00 0.00 -0.63 0.00 0.00 43.02 42.95 1kya s PHE 265 CO 0.57 -0.94 0.00 0.41 -0.05 0.00 0.00 175.22 175.21 1kya n GLY 266 N -0.36 0.76 3.42 1.99 0.00 -1.26 -4.46 105.19 105.29 1kya n GLY 266 Ca -0.11 -1.51 -0.44 0.00 0.00 0.00 0.00 46.02 43.96 1kya n GLY 266 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1kya s ASN 267 N -4.00 6.47 0.50 1.61 0.01 -1.25 -4.96 114.94 113.32 1kya s ASN 267 Ca 0.00 -1.81 -0.01 0.00 -0.71 0.00 0.00 52.86 50.33 1kya s ASN 267 Cb 0.00 -2.36 0.01 0.00 0.41 0.00 0.00 41.25 39.30 1kya s ASN 267 CO 0.00 -1.09 0.75 0.68 -1.51 0.00 0.00 177.10 175.93 1kya s VAL 268 N 2.64 3.72 0.00 1.60 -7.23 -1.26 -4.79 120.40 115.08 1kya s VAL 268 Ca 0.25 -0.39 0.00 0.00 -1.81 0.00 0.00 61.98 60.03 1kya s VAL 268 Cb -0.11 -3.41 0.00 0.00 0.56 0.00 0.00 36.38 33.42 1kya s VAL 268 CO -0.03 -0.32 0.00 0.61 -0.31 0.00 0.00 175.10 175.05 1kya n GLY 269 N -2.25 -1.98 0.33 2.32 0.00 -1.26 -4.80 105.19 97.55 1kya n GLY 269 Ca 0.03 -1.88 0.02 0.00 0.00 0.00 0.00 46.02 44.19 1kya n GLY 269 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1kya n PHE 270 N -0.03 0.00 -1.70 1.61 3.72 -1.26 -4.57 117.46 115.23 1kya n PHE 270 Ca 0.00 -0.23 -0.43 0.00 -0.05 0.00 0.00 57.45 56.74 1kya n PHE 270 Cb 0.00 -0.06 -0.03 0.00 -0.94 0.00 0.00 39.48 38.44 1kya n PHE 270 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 1kya n THR 271 N -0.32 0.06 -0.97 4.37 -1.04 -1.26 -1.06 114.28 114.06 1kya n THR 271 Ca 0.03 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.03 1kya n THR 271 Cb 0.65 -1.84 0.00 0.00 -1.82 0.00 0.00 70.33 67.31 1kya n THR 271 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1kya n GLY 272 N 3.70 0.43 1.69 3.41 0.00 -1.26 -3.22 105.19 109.95 1kya n GLY 272 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1kya n GLY 272 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kya n GLY 273 N -1.94 0.56 3.66 -0.02 0.00 -0.22 -4.71 105.19 102.52 1kya n GLY 273 Ca 0.00 -0.14 -0.29 0.00 0.00 0.00 0.00 46.02 45.58 1kya n GLY 273 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1kya s ILE 274 N -2.00 2.35 -1.16 -0.61 -4.36 -1.20 -3.33 121.20 110.89 1kya s ILE 274 Ca 0.00 0.11 -0.03 0.00 -0.26 0.00 0.00 60.65 60.47 1kya s ILE 274 Cb 0.00 -2.47 0.02 0.00 1.25 0.00 0.00 42.46 41.26 1kya s ILE 274 CO 0.00 -0.15 0.18 0.59 0.24 0.00 0.00 174.94 175.81 1kya n ASN 275 N -4.19 -4.03 -4.19 4.36 5.03 -1.26 -4.53 115.26 106.45 1kya n ASN 275 Ca 0.06 -0.00 -0.11 0.00 0.87 0.00 0.00 54.58 55.39 1kya n ASN 275 Cb 0.55 -3.38 -0.10 0.00 -1.02 0.00 0.00 39.78 35.83 1kya n ASN 275 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.26 174.99 1kya s SER 276 N -2.27 0.70 0.34 6.41 0.01 -1.21 -1.77 113.70 115.91 1kya s SER 276 Ca 0.13 -1.20 -0.04 0.00 1.31 0.00 0.00 55.95 56.16 1kya s SER 276 Cb -0.07 0.22 0.01 0.00 0.21 0.00 0.00 66.02 66.39 1kya s SER 276 CO 0.16 -0.66 0.50 0.00 0.41 0.00 0.00 173.24 173.65 1kya s ALA 277 N -3.88 0.60 -0.09 1.44 0.00 -0.06 -4.71 121.76 115.07 1kya s ALA 277 Ca 0.24 -1.43 0.03 0.00 0.00 0.00 0.00 51.96 50.80 1kya s ALA 277 Cb 0.07 1.11 0.01 0.00 0.00 0.00 0.00 23.12 24.31 1kya s ALA 277 CO 0.03 -0.81 -0.18 0.42 0.00 0.00 0.00 175.76 175.21 1kya s ILE 278 N -3.02 1.65 -0.35 0.00 1.01 -0.18 -1.33 121.20 118.99 1kya s ILE 278 Ca 0.29 -0.77 -0.13 0.00 0.00 0.00 0.00 60.65 60.03 1kya s ILE 278 Cb -0.01 -1.46 -0.01 0.00 0.01 0.00 0.00 42.46 40.98 1kya s ILE 278 CO 0.19 0.47 0.27 -0.22 0.00 0.00 0.00 174.94 175.65 1kya s LEU 279 N 0.59 4.55 -0.24 2.97 2.96 0.07 0.60 118.68 130.17 1kya s LEU 279 Ca -0.15 -0.42 0.01 0.00 -0.22 0.00 0.00 54.13 53.35 1kya s LEU 279 Cb -0.17 -2.18 0.04 0.00 0.50 0.00 0.00 46.19 44.39 1kya s LEU 279 CO 0.05 -0.27 -0.11 -0.60 -1.32 0.00 0.00 176.35 174.10 1kya s ARG 280 N 1.77 2.63 0.41 1.98 3.52 -0.09 -0.08 118.95 129.09 1kya s ARG 280 Ca 0.07 -1.09 -0.24 0.00 -0.13 0.00 0.00 55.73 54.33 1kya s ARG 280 Cb -0.17 -2.84 -0.08 0.00 -1.56 0.00 0.00 34.95 30.29 1kya s ARG 280 CO 0.11 -0.42 1.14 0.71 -0.81 0.00 0.00 175.30 176.03 1kya s TYR 281 N 1.23 3.07 0.26 5.12 1.51 -0.94 -2.58 117.35 125.01 1kya s TYR 281 Ca -0.02 1.57 -0.31 0.00 -1.01 0.00 0.00 57.07 57.30 1kya s TYR 281 Cb -0.17 -3.33 -0.12 0.00 -0.11 0.00 0.00 41.96 38.22 1kya s TYR 281 CO -0.07 -1.21 1.60 -0.25 -1.11 0.00 0.00 175.55 174.51 1kya n ASP 282 N -0.08 3.67 0.00 2.29 8.00 -0.66 -0.82 116.55 128.95 1kya n ASP 282 Ca 0.05 1.12 0.00 0.00 0.71 0.00 0.00 54.79 56.67 1kya n ASP 282 Cb 0.47 -1.55 0.00 0.00 -0.02 0.00 0.00 41.12 40.02 1kya n ASP 282 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1kya n GLY 283 N 2.66 3.13 3.80 0.44 0.00 -1.26 -4.85 105.19 109.11 1kya n GLY 283 Ca 0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 1kya n GLY 283 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kya s ALA 284 N -2.83 3.03 0.67 4.61 0.00 -0.00 -4.99 121.76 122.24 1kya s ALA 284 Ca 0.00 0.58 -0.14 0.00 0.00 0.00 0.00 51.96 52.40 1kya s ALA 284 Cb 0.00 -3.23 0.01 0.00 0.00 0.00 0.00 23.12 19.90 1kya s ALA 284 CO 0.00 -0.11 1.10 0.00 0.00 0.00 0.00 175.76 176.74 1kya s ALA 285 N -1.87 2.48 -1.19 0.00 0.00 -1.26 -4.92 121.76 114.98 1kya s ALA 285 Ca 0.61 0.45 -0.17 0.00 0.00 0.00 0.00 51.96 52.84 1kya s ALA 285 Cb -0.17 -3.29 0.11 0.00 0.00 0.00 0.00 23.12 19.77 1kya s ALA 285 CO 0.21 -1.31 1.54 0.00 0.00 0.00 0.00 175.76 176.20 1kya s ALA 286 N -2.50 3.46 0.22 0.00 0.00 -1.26 -4.89 121.76 116.80 1kya s ALA 286 Ca 0.65 -2.96 -0.05 0.00 0.00 0.00 0.00 51.96 49.60 1kya s ALA 286 Cb -0.19 -4.40 -0.03 0.00 0.00 0.00 0.00 23.12 18.50 1kya s ALA 286 CO 0.44 -3.14 0.26 0.14 0.00 0.00 0.00 175.76 173.46 1kya s VAL 287 N 3.31 0.00 0.55 0.00 -7.23 -1.26 -5.15 120.40 110.62 1kya s VAL 287 Ca 0.47 -1.79 -0.17 0.00 -1.81 0.00 0.00 61.98 58.69 1kya s VAL 287 Cb 0.00 -2.40 -0.06 0.00 0.56 0.00 0.00 36.38 34.48 1kya s VAL 287 CO 0.01 0.00 1.02 -1.61 -0.31 0.00 0.00 175.10 174.22 1kya s GLU 288 N -4.07 3.64 1.01 4.82 2.02 -1.26 -4.96 118.70 119.89 1kya s GLU 288 Ca 0.33 1.13 -0.15 0.00 0.02 0.00 0.00 54.97 56.30 1kya s GLU 288 Cb 0.04 -2.08 0.19 0.00 0.10 0.00 0.00 34.13 32.38 1kya s GLU 288 CO 0.12 -0.54 1.16 -2.14 0.02 0.00 0.00 175.26 173.87 1kya s PRO 289 N -3.94 0.36 0.00 0.39 0.02 -1.26 -4.97 135.00 125.60 1kya s PRO 289 Ca 0.62 0.11 0.00 0.00 0.02 0.00 0.00 61.00 61.75 1kya s PRO 289 Cb -0.14 -1.77 0.00 0.00 0.02 0.00 0.00 34.50 32.62 1kya s PRO 289 CO 0.32 -2.69 0.62 0.25 -0.33 0.00 0.00 177.00 175.17 1kya n THR 290 N -4.07 0.00 -2.28 0.99 -2.24 -1.26 -5.00 114.28 100.42 1kya n THR 290 Ca 0.09 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.53 1kya n THR 290 Cb 0.59 0.52 -0.00 0.00 -2.10 0.00 0.00 70.33 69.34 1kya n THR 290 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1kya s THR 291 N 0.00 3.29 0.07 4.28 -4.23 -1.26 -5.03 115.64 112.75 1kya s THR 291 Ca 0.00 0.79 0.02 0.00 -1.18 0.00 0.00 61.69 61.32 1kya s THR 291 Cb 0.00 -3.31 -0.04 0.00 1.34 0.00 0.00 72.50 70.49 1kya s THR 291 CO 0.00 -0.19 0.11 0.42 -0.54 0.00 0.00 174.62 174.42 1kya s THR 292 N -1.85 4.74 0.22 3.99 -4.23 -1.26 -4.81 115.64 112.44 1kya s THR 292 Ca 0.71 -0.65 -0.30 0.00 -1.18 0.00 0.00 61.69 60.27 1kya s THR 292 Cb -0.22 -3.28 -0.08 0.00 1.34 0.00 0.00 72.50 70.25 1kya s THR 292 CO 0.27 0.15 1.01 -1.58 -0.54 0.00 0.00 174.62 173.92 1kya s GLN 293 N -2.36 4.74 0.34 3.99 0.74 -1.26 -4.75 119.66 121.09 1kya s GLN 293 Ca 0.30 1.60 0.09 0.00 0.05 0.00 0.00 55.36 57.40 1kya s GLN 293 Cb -0.12 -3.27 -0.05 0.00 1.10 0.00 0.00 33.01 30.67 1kya s GLN 293 CO 0.23 0.32 0.08 0.95 -0.55 0.00 0.00 175.29 176.32 1kya s THR 294 N -0.84 2.82 0.31 -0.34 -4.23 -1.26 -5.10 115.64 107.01 1kya s THR 294 Ca 0.44 -1.83 -0.29 0.00 -1.18 0.00 0.00 61.69 58.83 1kya s THR 294 Cb -0.28 -2.89 -0.10 0.00 1.34 0.00 0.00 72.50 70.57 1kya s THR 294 CO 0.34 -0.19 1.40 -0.89 -0.54 0.00 0.00 174.62 174.74 1kya s THR 295 N -2.47 2.53 -0.23 3.99 2.01 -1.26 -4.96 115.64 115.25 1kya s THR 295 Ca 0.36 0.50 -0.29 0.00 0.31 0.00 0.00 61.69 62.57 1kya s THR 295 Cb -0.01 -3.32 0.01 0.00 0.01 0.00 0.00 72.50 69.19 1kya s THR 295 CO 0.21 0.11 1.03 -0.55 -0.69 0.00 0.00 174.62 174.73 1kya s SER 296 N -0.12 7.10 0.00 3.53 0.15 -1.26 -4.89 113.70 118.21 1kya s SER 296 Ca 0.53 1.38 0.13 0.00 0.70 0.00 0.00 55.95 58.69 1kya s SER 296 Cb -0.42 -2.54 0.03 0.00 -1.71 0.00 0.00 66.02 61.38 1kya s SER 296 CO 0.52 -0.66 0.79 0.35 1.20 0.00 0.00 173.24 175.44 1kya n THR 297 N 5.29 0.00 -2.89 6.45 -2.24 -1.26 -4.63 114.28 115.00 1kya n THR 297 Ca 0.12 -0.41 -0.14 0.00 -2.27 0.00 0.00 64.05 61.34 1kya n THR 297 Cb 0.46 1.19 0.00 0.00 -2.10 0.00 0.00 70.33 69.88 1kya n THR 297 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1kya n ALA 298 N 0.11 2.94 -1.73 6.98 0.00 -1.26 -5.00 120.51 122.55 1kya n ALA 298 Ca 0.06 -3.35 -0.39 0.00 0.00 0.00 0.00 53.44 49.75 1kya n ALA 298 Cb 0.29 -0.91 0.03 0.00 0.00 0.00 0.00 19.45 18.86 1kya n ALA 298 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1kya n PRO 299 N 0.06 1.85 -2.16 0.00 -0.02 -1.26 -0.02 135.00 133.45 1kya n PRO 299 Ca 0.18 0.67 -0.41 0.00 -2.02 0.00 0.00 63.50 61.92 1kya n PRO 299 Cb 0.73 -2.52 -0.03 0.00 -0.02 0.00 0.00 33.50 31.66 1kya n PRO 299 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1kya s LEU 300 N -2.74 4.43 -0.12 2.45 2.96 -0.45 -4.85 118.68 120.37 1kya s LEU 300 Ca 0.67 2.59 -0.01 0.00 -0.22 0.00 0.00 54.13 57.15 1kya s LEU 300 Cb -0.45 -3.64 0.04 0.00 0.50 0.00 0.00 46.19 42.64 1kya s LEU 300 CO 0.53 -0.51 -0.01 0.21 -1.32 0.00 0.00 176.35 175.25 1kya s ASN 301 N -0.25 2.14 0.38 3.68 3.84 -1.26 -4.78 114.94 118.69 1kya s ASN 301 Ca 0.51 -0.36 0.21 0.00 0.21 0.00 0.00 52.86 53.43 1kya s ASN 301 Cb -0.39 -0.59 1.25 0.00 -0.55 0.00 0.00 41.25 40.97 1kya s ASN 301 CO 0.48 -0.21 1.65 -0.08 -2.79 0.00 0.00 177.10 176.14 1kya h GLU 302 N 8.26 0.19 -0.05 0.43 4.81 -1.94 0.84 114.58 127.12 1kya h GLU 302 Ca -0.21 -0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.02 1kya h GLU 302 Cb 1.12 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 30.46 1kya h GLU 302 CO 0.32 0.13 0.07 0.28 -0.73 0.00 0.00 179.01 179.07 1kya h VAL 303 N 0.20 0.36 -0.01 0.32 2.07 -1.95 0.10 116.25 117.34 1kya h VAL 303 Ca 0.77 0.00 0.00 0.00 0.82 0.00 0.00 66.70 68.29 1kya h VAL 303 Cb 2.06 0.94 0.00 0.00 -1.52 0.00 0.00 31.29 32.77 1kya h VAL 303 CO -0.54 0.00 -0.09 0.59 0.02 0.00 0.00 177.57 177.55 1kya n ASN 304 N -3.60 0.97 -4.72 0.57 3.02 0.29 -4.87 115.26 106.93 1kya n ASN 304 Ca -0.02 -1.08 -0.39 0.00 -0.03 0.00 0.00 54.58 53.06 1kya n ASN 304 Cb 0.16 0.02 -0.05 0.00 -0.61 0.00 0.00 39.78 39.29 1kya n ASN 304 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1kya s LEU 305 N -2.23 4.30 0.03 3.41 1.43 0.36 -5.00 118.68 120.99 1kya s LEU 305 Ca 0.34 1.07 0.02 0.00 -1.03 0.00 0.00 54.13 54.53 1kya s LEU 305 Cb 0.20 -2.96 -0.02 0.00 0.03 0.00 0.00 46.19 43.44 1kya s LEU 305 CO 0.42 -0.08 -0.08 -1.00 0.23 0.00 0.00 176.35 175.84 1kya s HIS 306 N 0.76 0.67 0.54 0.29 3.76 -1.26 -3.28 115.29 116.78 1kya s HIS 306 Ca 0.34 -0.39 -0.22 0.00 -0.15 0.00 0.00 55.06 54.63 1kya s HIS 306 Cb -0.17 -0.41 -0.05 0.00 1.11 0.00 0.00 32.58 33.07 1kya s HIS 306 CO 0.16 -0.05 1.38 -2.14 -0.85 0.00 0.00 174.74 173.23 1kya s PRO 307 N -1.22 3.15 0.13 8.40 0.02 -1.26 -0.52 135.00 143.69 1kya s PRO 307 Ca -0.06 2.29 -0.15 0.00 0.02 0.00 0.00 61.00 63.10 1kya s PRO 307 Cb -0.08 -2.29 -0.01 0.00 0.02 0.00 0.00 34.50 32.14 1kya s PRO 307 CO 0.00 -1.20 1.60 1.25 -0.33 0.00 0.00 177.00 178.32 1kya h LEU 308 N 1.50 0.66 -9.60 -5.54 5.85 -0.54 -3.36 115.31 104.28 1kya h LEU 308 Ca -0.51 -0.27 -0.66 0.00 0.84 0.00 0.00 57.88 57.27 1kya h LEU 308 Cb 1.30 -0.18 -0.08 0.00 0.37 0.00 0.00 40.66 42.08 1kya h LEU 308 CO 0.57 0.77 -0.48 -0.69 -0.34 0.00 0.00 178.44 178.27 1kya s VAL 309 N -5.14 5.48 0.01 1.05 1.01 -1.26 -4.82 120.40 116.73 1kya s VAL 309 Ca -0.13 0.20 -0.34 0.00 0.00 0.00 0.00 61.98 61.70 1kya s VAL 309 Cb 0.10 -3.39 -0.13 0.00 0.00 0.00 0.00 36.38 32.96 1kya s VAL 309 CO 0.78 0.60 1.73 0.00 0.00 0.00 0.00 175.10 178.22 1kya n ALA 310 N 2.12 0.92 -3.74 5.51 0.00 -1.26 -4.94 120.51 119.11 1kya n ALA 310 Ca -0.20 0.36 -0.25 0.00 0.00 0.00 0.00 53.44 53.35 1kya n ALA 310 Cb 0.55 -2.41 -0.17 0.00 0.00 0.00 0.00 19.45 17.42 1kya n ALA 310 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1kya s THR 311 N 2.63 0.40 0.29 0.00 2.01 -1.26 -5.13 115.64 114.58 1kya s THR 311 Ca 0.87 -0.23 -0.29 0.00 0.31 0.00 0.00 61.69 62.34 1kya s THR 311 Cb -0.72 -0.78 -0.10 0.00 0.01 0.00 0.00 72.50 70.91 1kya s THR 311 CO 0.47 -0.02 1.42 0.00 -0.69 0.00 0.00 174.62 175.79 1kya s ALA 312 N 1.93 3.59 -0.07 7.40 0.00 -1.26 -4.91 121.76 128.44 1kya s ALA 312 Ca 0.02 1.36 -0.30 0.00 0.00 0.00 0.00 51.96 53.04 1kya s ALA 312 Cb -0.15 -3.55 -0.02 0.00 0.00 0.00 0.00 23.12 19.40 1kya s ALA 312 CO -0.07 -0.77 1.13 0.08 0.00 0.00 0.00 175.76 176.13 1kya s VAL 313 N -0.48 4.46 0.53 0.00 1.01 -1.26 -4.98 120.40 119.67 1kya s VAL 313 Ca 0.56 1.76 -0.21 0.00 0.00 0.00 0.00 61.98 64.08 1kya s VAL 313 Cb -0.42 -4.13 -0.07 0.00 0.00 0.00 0.00 36.38 31.76 1kya s VAL 313 CO 0.49 0.00 1.08 -0.81 0.00 0.00 0.00 175.10 175.86 1kya n PRO 314 N 5.11 1.28 0.00 2.72 -0.04 -1.26 -4.70 135.00 138.11 1kya n PRO 314 Ca 0.10 0.47 0.00 0.00 -0.04 0.00 0.00 63.50 64.03 1kya n PRO 314 Cb 0.47 -2.24 0.00 0.00 -0.04 0.00 0.00 33.50 31.69 1kya n PRO 314 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1kya n GLY 315 N 1.11 -1.14 3.50 0.55 0.00 -1.26 -4.94 105.19 103.02 1kya n GLY 315 Ca 0.11 -1.50 -0.30 0.00 0.00 0.00 0.00 46.02 44.34 1kya n GLY 315 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1kya s SER 316 N -4.00 3.99 -0.13 1.61 0.01 0.14 -5.02 113.70 110.30 1kya s SER 316 Ca 0.00 -0.48 -0.02 0.00 1.31 0.00 0.00 55.95 56.77 1kya s SER 316 Cb 0.00 -0.64 -0.04 0.00 0.21 0.00 0.00 66.02 65.55 1kya s SER 316 CO 0.00 0.20 1.26 -0.81 0.41 0.00 0.00 173.24 174.30 1kya n PRO 317 N 0.99 0.56 -3.68 12.44 -0.04 -1.26 -4.36 135.00 139.65 1kya n PRO 317 Ca -0.15 -0.45 -0.15 0.00 -0.04 0.00 0.00 63.50 62.71 1kya n PRO 317 Cb 0.52 -1.81 -0.08 0.00 -0.04 0.00 0.00 33.50 32.10 1kya n PRO 317 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1kya s VAL 318 N 3.23 0.03 0.20 0.52 1.01 -1.26 -5.03 120.40 119.11 1kya s VAL 318 Ca 0.15 -0.29 -0.33 0.00 0.00 0.00 0.00 61.98 61.51 1kya s VAL 318 Cb 0.06 -0.75 -0.13 0.00 0.00 0.00 0.00 36.38 35.56 1kya s VAL 318 CO -0.00 -0.16 1.58 0.00 0.00 0.00 0.00 175.10 176.52 1kya n ALA 319 N 1.24 1.78 -0.33 5.51 0.00 -1.26 -0.55 120.51 126.89 1kya n ALA 319 Ca -0.20 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.66 1kya n ALA 319 Cb 0.56 -2.39 0.00 0.00 0.00 0.00 0.00 19.45 17.62 1kya n ALA 319 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1kya n GLY 320 N 3.20 1.37 3.05 0.00 0.00 -1.26 -4.85 105.19 106.70 1kya n GLY 320 Ca 0.15 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.97 1kya n GLY 320 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kya n GLY 321 N -2.00 1.80 3.42 -0.02 0.00 0.29 -4.68 105.19 104.00 1kya n GLY 321 Ca 0.00 -0.54 -0.10 0.00 0.00 0.00 0.00 46.02 45.38 1kya n GLY 321 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1kya s VAL 322 N 5.14 0.04 0.02 1.61 0.11 -1.26 0.28 120.40 126.34 1kya s VAL 322 Ca 0.31 -1.28 -0.25 0.00 -2.93 0.00 0.00 61.98 57.83 1kya s VAL 322 Cb 0.07 -1.87 -0.18 0.00 -1.53 0.00 0.00 36.38 32.88 1kya s VAL 322 CO 0.09 -0.20 1.43 0.44 -3.33 0.00 0.00 175.10 173.52 1kya h ASP 323 N 2.42 -0.08 -3.25 3.54 3.32 -1.69 -3.43 116.42 117.25 1kya h ASP 323 Ca -0.30 -0.26 -0.49 0.00 0.02 0.00 0.00 57.03 56.00 1kya h ASP 323 Cb 1.24 0.02 -0.37 0.00 0.22 0.00 0.00 39.33 40.44 1kya h ASP 323 CO 0.44 0.22 -0.79 -0.22 -1.72 0.00 0.00 179.24 177.17 1kya s LEU 324 N -9.61 1.05 -0.08 1.55 0.20 -0.90 -5.01 118.68 105.87 1kya s LEU 324 Ca -0.15 -0.21 0.03 0.00 0.69 0.00 0.00 54.13 54.49 1kya s LEU 324 Cb 0.03 -0.67 -0.02 0.00 -0.43 0.00 0.00 46.19 45.10 1kya s LEU 324 CO 0.65 -0.12 -0.18 0.00 -0.29 0.00 0.00 176.35 176.40 1kya s ALA 325 N 1.62 2.44 -0.02 5.97 0.00 -1.26 -2.03 121.76 128.48 1kya s ALA 325 Ca 0.02 -0.98 0.01 0.00 0.00 0.00 0.00 51.96 51.02 1kya s ALA 325 Cb -0.13 -0.93 0.01 0.00 0.00 0.00 0.00 23.12 22.07 1kya s ALA 325 CO -0.05 0.39 -0.05 0.42 0.00 0.00 0.00 175.76 176.47 1kya s ILE 326 N -0.13 0.48 -0.14 0.00 1.01 -0.16 -4.98 121.20 117.28 1kya s ILE 326 Ca -0.03 -0.18 -0.04 0.00 0.00 0.00 0.00 60.65 60.40 1kya s ILE 326 Cb -0.14 -0.46 -0.03 0.00 0.01 0.00 0.00 42.46 41.84 1kya s ILE 326 CO 0.04 0.17 0.00 0.21 0.00 0.00 0.00 174.94 175.36 1kya s ASN 327 N 0.36 5.16 -0.48 3.58 3.84 -1.26 -1.61 114.94 124.53 1kya s ASN 327 Ca -0.04 0.01 -0.13 0.00 0.21 0.00 0.00 52.86 52.90 1kya s ASN 327 Cb -0.08 -1.76 0.10 0.00 -0.55 0.00 0.00 41.25 38.96 1kya s ASN 327 CO -0.00 0.23 0.39 -0.04 -2.79 0.00 0.00 177.10 174.88 1kya s MET 328 N 0.03 2.83 -0.46 0.43 -1.94 0.19 -4.92 119.30 115.47 1kya s MET 328 Ca 0.02 -1.54 -0.24 0.00 -1.71 0.00 0.00 55.69 52.23 1kya s MET 328 Cb -0.13 -4.08 0.03 0.00 2.01 0.00 0.00 34.83 32.66 1kya s MET 328 CO 0.02 -1.12 0.83 0.00 -0.01 0.00 0.00 175.02 174.73 1kya s ALA 329 N 1.54 3.27 0.34 3.03 0.00 -1.26 -4.07 121.76 124.61 1kya s ALA 329 Ca 0.04 -0.96 -0.27 0.00 0.00 0.00 0.00 51.96 50.77 1kya s ALA 329 Cb -0.26 -3.52 -0.09 0.00 0.00 0.00 0.00 23.12 19.24 1kya s ALA 329 CO 0.04 -1.98 1.06 -0.06 0.00 0.00 0.00 175.76 174.82 1kya s PHE 330 N 3.43 3.44 0.17 0.00 0.08 -1.26 -0.65 117.98 123.19 1kya s PHE 330 Ca 0.32 1.68 -0.19 0.00 0.12 0.00 0.00 56.93 58.85 1kya s PHE 330 Cb -0.12 -3.19 0.04 0.00 -0.57 0.00 0.00 43.02 39.19 1kya s PHE 330 CO 0.24 -0.54 0.54 1.21 -0.10 0.00 0.00 175.22 176.57 1kya s ASN 331 N -1.25 -0.37 -0.18 1.36 3.04 -0.34 -4.64 114.94 112.56 1kya s ASN 331 Ca 0.51 -0.28 -0.14 0.00 0.04 0.00 0.00 52.86 52.99 1kya s ASN 331 Cb -0.26 0.58 0.05 0.00 -1.54 0.00 0.00 41.25 40.07 1kya s ASN 331 CO 0.33 -1.00 0.46 0.12 -3.04 0.00 0.00 177.10 173.97 1kya s PHE 332 N -3.82 -0.56 -0.09 0.43 5.36 -0.73 0.31 117.98 118.89 1kya s PHE 332 Ca 0.05 1.29 0.13 0.00 -0.96 0.00 0.00 56.93 57.44 1kya s PHE 332 Cb -0.01 0.22 0.19 0.00 -0.34 0.00 0.00 43.02 43.09 1kya s PHE 332 CO -0.08 -0.29 1.08 0.27 -1.46 0.00 0.00 175.22 174.75 1kya n ASN 333 N 3.33 1.79 0.00 6.13 0.23 -1.06 -4.92 115.26 120.75 1kya n ASN 333 Ca -0.17 -2.69 0.00 0.00 -0.53 0.00 0.00 54.58 51.20 1kya n ASN 333 Cb 0.56 -0.32 0.00 0.00 -2.08 0.00 0.00 39.78 37.94 1kya n ASN 333 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1kya n GLY 334 N -1.01 2.92 0.00 4.83 0.00 -1.26 -4.76 105.19 105.92 1kya n GLY 334 Ca 0.11 -0.75 0.04 0.00 0.00 0.00 0.00 46.02 45.41 1kya n GLY 334 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1kya n THR 335 N 0.00 0.00 -4.10 2.61 -2.24 -1.26 -5.01 114.28 104.28 1kya n THR 335 Ca 0.00 -0.27 -0.14 0.00 -2.27 0.00 0.00 64.05 61.37 1kya n THR 335 Cb 0.00 0.77 -0.13 0.00 -2.10 0.00 0.00 70.33 68.87 1kya n THR 335 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1kya s ASN 336 N -2.10 0.71 0.25 3.42 0.01 -1.26 -4.84 114.94 111.12 1kya s ASN 336 Ca 0.01 -0.33 -0.03 0.00 -0.71 0.00 0.00 52.86 51.80 1kya s ASN 336 Cb 0.05 -0.01 -0.05 0.00 0.41 0.00 0.00 41.25 41.66 1kya s ASN 336 CO 0.31 -0.08 0.47 -0.36 -1.51 0.00 0.00 177.10 175.92 1kya s PHE 337 N -0.79 3.48 0.04 2.20 0.08 -0.14 -2.57 117.98 120.27 1kya s PHE 337 Ca -0.05 0.49 0.02 0.00 0.12 0.00 0.00 56.93 57.51 1kya s PHE 337 Cb -0.06 -1.98 -0.02 0.00 -0.57 0.00 0.00 43.02 40.39 1kya s PHE 337 CO 0.00 0.27 -0.07 -0.06 -0.10 0.00 0.00 175.22 175.26 1kya s PHE 338 N -1.98 0.63 -0.17 0.36 0.08 0.15 -4.20 117.98 112.86 1kya s PHE 338 Ca 0.41 -0.46 -0.03 0.00 0.12 0.00 0.00 56.93 56.97 1kya s PHE 338 Cb -0.11 -0.38 0.06 0.00 -0.57 0.00 0.00 43.02 42.01 1kya s PHE 338 CO 0.29 -0.08 0.05 0.42 -0.10 0.00 0.00 175.22 175.80 1kya s ILE 339 N -1.26 0.31 -1.29 0.64 1.01 0.16 -1.20 121.20 119.56 1kya s ILE 339 Ca -0.09 -0.33 -0.04 0.00 0.00 0.00 0.00 60.65 60.19 1kya s ILE 339 Cb -0.09 -0.81 0.01 0.00 0.01 0.00 0.00 42.46 41.58 1kya s ILE 339 CO 0.00 -0.17 1.02 0.59 0.00 0.00 0.00 174.94 176.38 1kya n ASN 340 N 5.14 -3.48 -0.01 3.58 5.03 0.18 -2.15 115.26 123.54 1kya n ASN 340 Ca -0.08 -0.63 -0.00 0.00 0.87 0.00 0.00 54.58 54.73 1kya n ASN 340 Cb 0.48 -4.86 -0.00 0.00 -1.02 0.00 0.00 39.78 34.38 1kya n ASN 340 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1kya n GLY 341 N -1.51 0.31 3.20 7.41 0.00 -1.26 -5.00 105.19 108.34 1kya n GLY 341 Ca -0.17 -0.01 -0.25 0.00 0.00 0.00 0.00 46.02 45.58 1kya n GLY 341 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kya s ALA 342 N -1.61 1.59 -0.27 4.61 0.00 -0.91 -5.08 121.76 120.08 1kya s ALA 342 Ca 0.00 -0.89 0.00 0.00 0.00 0.00 0.00 51.96 51.07 1kya s ALA 342 Cb 0.00 -0.36 0.05 0.00 0.00 0.00 0.00 23.12 22.81 1kya s ALA 342 CO 0.00 0.37 -0.06 0.45 0.00 0.00 0.00 175.76 176.52 1kya s SER 343 N -0.76 4.60 0.38 0.00 0.15 -1.26 0.39 113.70 117.20 1kya s SER 343 Ca 0.07 -1.27 -0.26 0.00 0.70 0.00 0.00 55.95 55.19 1kya s SER 343 Cb -0.08 -1.63 -0.11 0.00 -1.71 0.00 0.00 66.02 62.49 1kya s SER 343 CO 0.00 -0.21 1.11 0.33 1.20 0.00 0.00 173.24 175.67 1kya n PHE 344 N 4.55 1.58 -3.58 3.44 7.35 -0.25 -4.94 117.46 125.61 1kya n PHE 344 Ca -0.14 0.57 -0.09 0.00 -0.76 0.00 0.00 57.45 57.03 1kya n PHE 344 Cb 0.43 -2.30 -0.09 0.00 0.35 0.00 0.00 39.48 37.87 1kya n PHE 344 CO 0.00 0.00 0.00 -0.08 -0.76 0.00 0.00 176.76 175.92 1kya s THR 345 N -1.19 -0.62 -0.24 -2.13 -1.32 -1.26 -3.97 115.64 104.91 1kya s THR 345 Ca 0.60 0.12 -0.43 0.00 -1.21 0.00 0.00 61.69 60.78 1kya s THR 345 Cb -0.58 -0.68 -0.19 0.00 -1.51 0.00 0.00 72.50 69.54 1kya s THR 345 CO 0.59 0.03 1.41 -2.65 -2.21 0.00 0.00 174.62 171.78 1kya n PRO 346 N 5.38 0.26 -1.96 7.08 -0.02 -1.26 -4.58 135.00 139.90 1kya n PRO 346 Ca -0.07 0.10 -0.31 0.00 -2.02 0.00 0.00 63.50 61.19 1kya n PRO 346 Cb 0.50 -1.63 0.00 0.00 -0.02 0.00 0.00 33.50 32.34 1kya n PRO 346 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1kya s PRO 347 N 1.77 3.66 0.22 0.52 0.04 -1.26 -4.97 135.00 134.97 1kya s PRO 347 Ca 0.97 0.78 0.01 0.00 0.04 0.00 0.00 61.00 62.80 1kya s PRO 347 Cb -1.31 -2.09 0.20 0.00 0.04 0.00 0.00 34.50 31.34 1kya s PRO 347 CO 0.68 -0.52 1.55 1.79 0.04 0.00 0.00 177.00 180.54 1kya h THR 348 N -0.11 1.34 -3.77 1.26 1.35 -1.92 -3.41 112.91 107.65 1kya h THR 348 Ca -0.44 -1.82 -0.63 0.00 -0.55 0.00 0.00 66.41 62.96 1kya h THR 348 Cb 1.19 1.83 -0.17 0.00 -1.73 0.00 0.00 68.15 69.28 1kya h THR 348 CO 0.62 0.55 -0.53 -0.69 -0.25 0.00 0.00 175.52 175.23 1kya s VAL 349 N -3.94 5.23 0.37 6.82 1.01 -1.26 -5.02 120.40 123.61 1kya s VAL 349 Ca -0.06 0.14 -0.27 0.00 0.00 0.00 0.00 61.98 61.79 1kya s VAL 349 Cb 0.12 -3.47 -0.11 0.00 0.00 0.00 0.00 36.38 32.92 1kya s VAL 349 CO 0.82 0.29 1.27 -0.81 0.00 0.00 0.00 175.10 176.67 1kya n PRO 350 N 4.79 2.03 -0.25 2.72 -0.04 -1.26 -4.69 135.00 138.30 1kya n PRO 350 Ca -0.15 0.72 0.18 0.00 -0.04 0.00 0.00 63.50 64.21 1kya n PRO 350 Cb 0.52 -2.34 0.49 0.00 -0.04 0.00 0.00 33.50 32.13 1kya n PRO 350 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1kya h VAL 351 N 2.34 0.69 -0.51 0.52 2.07 -1.14 0.33 116.25 120.56 1kya h VAL 351 Ca -0.47 -0.15 -0.05 0.00 0.82 0.00 0.00 66.70 66.85 1kya h VAL 351 Cb 1.29 0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 31.24 1kya h VAL 351 CO 0.61 0.08 0.13 0.25 0.02 0.00 0.00 177.57 178.66 1kya h LEU 352 N 0.45 0.77 -0.75 2.57 6.46 -1.27 -2.18 115.31 121.36 1kya h LEU 352 Ca 0.47 -0.23 -0.11 0.00 -0.12 0.00 0.00 57.88 57.89 1kya h LEU 352 Cb 1.12 -0.20 -0.01 0.00 -0.73 0.00 0.00 40.66 40.83 1kya h LEU 352 CO -0.19 0.80 -0.24 0.25 -0.62 0.00 0.00 178.44 178.44 1kya h LEU 353 N 0.71 0.70 -0.27 2.25 5.85 -1.31 -1.10 115.31 122.14 1kya h LEU 353 Ca 0.16 -0.25 0.03 0.00 0.84 0.00 0.00 57.88 58.66 1kya h LEU 353 Cb 0.33 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.14 1kya h LEU 353 CO 0.00 0.92 0.09 1.56 -0.34 0.00 0.00 178.44 180.68 1kya h GLN 354 N 0.60 0.21 -0.52 1.25 4.20 -0.72 0.75 115.11 120.88 1kya h GLN 354 Ca 0.08 -0.01 -0.12 0.00 0.06 0.00 0.00 58.65 58.66 1kya h GLN 354 Cb 0.73 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.44 1kya h GLN 354 CO 0.06 0.14 -0.13 0.82 -0.67 0.00 0.00 178.83 179.05 1kya h ILE 355 N 0.22 1.27 -0.07 2.54 2.04 -1.21 -0.52 117.51 121.78 1kya h ILE 355 Ca 0.12 -1.28 -0.07 0.00 1.00 0.00 0.00 64.86 64.63 1kya h ILE 355 Cb 0.08 1.01 -0.01 0.00 -0.74 0.00 0.00 36.82 37.17 1kya h ILE 355 CO -0.12 0.45 -0.26 0.40 0.00 0.00 0.00 178.15 178.62 1kya h ILE 356 N 0.88 1.22 -0.00 -0.67 2.04 -0.92 -2.30 117.51 117.75 1kya h ILE 356 Ca 0.13 -1.03 0.00 0.00 1.00 0.00 0.00 64.86 64.96 1kya h ILE 356 Cb 0.70 1.46 0.00 0.00 -0.74 0.00 0.00 36.82 38.24 1kya h ILE 356 CO 0.05 0.31 -0.02 -1.20 0.00 0.00 0.00 178.15 177.29 1kya n SER 357 N -4.19 0.16 0.00 1.72 7.64 0.23 -4.87 113.62 114.32 1kya n SER 357 Ca -0.02 -0.71 0.00 0.00 1.01 0.00 0.00 58.87 59.16 1kya n SER 357 Cb 0.34 -0.10 0.00 0.00 -1.01 0.00 0.00 64.21 63.44 1kya n SER 357 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1kya n GLY 358 N 1.14 1.13 3.66 0.23 0.00 -0.87 -5.06 105.19 105.42 1kya n GLY 358 Ca 0.19 0.00 -0.55 0.00 0.00 0.00 0.00 46.02 45.66 1kya n GLY 358 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kya n ALA 359 N 0.00 -0.61 0.11 4.61 0.00 -0.23 -4.87 120.51 119.52 1kya n ALA 359 Ca 0.00 0.45 0.09 0.00 0.00 0.00 0.00 53.44 53.98 1kya n ALA 359 Cb 0.00 -2.15 -0.14 0.00 0.00 0.00 0.00 19.45 17.16 1kya n ALA 359 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1kya n GLN 360 N 4.08 0.63 -2.81 0.00 7.27 -1.26 -4.67 117.38 120.62 1kya n GLN 360 Ca 0.23 -0.15 -0.05 0.00 0.07 0.00 0.00 57.00 57.11 1kya n GLN 360 Cb 0.15 -1.43 0.02 0.00 2.41 0.00 0.00 30.24 31.39 1kya n GLN 360 CO 0.00 0.00 0.00 0.27 0.07 0.00 0.00 177.06 177.40 1kya n ASN 361 N -2.04 -1.35 -0.26 1.69 6.94 -1.26 -4.91 115.26 114.06 1kya n ASN 361 Ca -0.02 -1.88 -0.05 0.00 -0.02 0.00 0.00 54.58 52.60 1kya n ASN 361 Cb 0.46 2.24 0.06 0.00 -2.36 0.00 0.00 39.78 40.17 1kya n ASN 361 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1kya h ALA 362 N 2.00 0.92 -0.94 -2.53 0.00 -1.93 -2.37 119.26 114.42 1kya h ALA 362 Ca -0.20 -0.08 0.10 0.00 0.00 0.00 0.00 54.91 54.73 1kya h ALA 362 Cb 0.77 -0.29 -0.07 0.00 0.00 0.00 0.00 17.79 18.20 1kya h ALA 362 CO 0.26 0.38 0.60 -0.56 0.00 0.00 0.00 179.25 179.93 1kya h GLN 363 N 0.99 0.94 0.06 0.00 -0.00 -1.96 -2.96 115.11 112.17 1kya h GLN 363 Ca 0.26 -0.06 -0.00 0.00 -0.00 0.00 0.00 58.65 58.85 1kya h GLN 363 Cb -0.05 -0.21 0.00 0.00 -0.00 0.00 0.00 27.48 27.22 1kya h GLN 363 CO -0.05 0.62 -0.03 -0.44 -0.00 0.00 0.00 178.83 178.93 1kya h ASP 364 N 0.96 -0.07 -2.15 0.06 3.32 -1.89 -3.46 116.42 113.19 1kya h ASP 364 Ca 0.43 -0.56 -0.63 0.00 0.02 0.00 0.00 57.03 56.29 1kya h ASP 364 Cb 0.38 0.02 0.09 0.00 0.22 0.00 0.00 39.33 40.04 1kya h ASP 364 CO -0.19 0.59 0.23 0.18 -1.72 0.00 0.00 179.24 178.32 1kya n LEU 365 N -4.81 1.66 -4.65 1.55 4.77 -0.92 -4.96 117.00 109.65 1kya n LEU 365 Ca -0.08 1.15 -0.29 0.00 -0.03 0.00 0.00 56.01 56.76 1kya n LEU 365 Cb 0.31 -1.25 -0.09 0.00 -2.33 0.00 0.00 43.42 40.07 1kya n LEU 365 CO 0.29 -1.31 -0.36 -0.76 -1.33 0.00 0.00 177.39 173.91 1kya s LEU 366 N 0.61 3.30 0.45 2.23 1.43 -1.26 -4.06 118.68 121.38 1kya s LEU 366 Ca 0.68 -0.28 -0.22 0.00 -1.03 0.00 0.00 54.13 53.28 1kya s LEU 366 Cb -0.79 -2.04 -0.09 0.00 0.03 0.00 0.00 46.19 43.30 1kya s LEU 366 CO 0.55 0.16 1.05 -2.16 0.23 0.00 0.00 176.35 176.18 1kya s PRO 367 N -2.36 3.93 0.35 1.29 0.04 -1.26 -4.73 135.00 132.25 1kya s PRO 367 Ca 0.24 1.45 -0.28 0.00 0.04 0.00 0.00 61.00 62.45 1kya s PRO 367 Cb -0.11 -2.28 -0.10 0.00 0.04 0.00 0.00 34.50 32.05 1kya s PRO 367 CO 0.17 -0.34 1.28 0.45 0.04 0.00 0.00 177.00 178.60 1kya s SER 368 N -1.79 6.70 0.00 6.66 0.15 -1.26 -2.90 113.70 121.27 1kya s SER 368 Ca 0.64 2.63 0.00 0.00 0.70 0.00 0.00 55.95 59.91 1kya s SER 368 Cb -0.19 -2.64 0.00 0.00 -1.71 0.00 0.00 66.02 61.47 1kya s SER 368 CO 0.24 -0.58 0.00 0.61 1.20 0.00 0.00 173.24 174.71 1kya n GLY 369 N 0.79 2.05 0.41 9.45 0.00 -1.26 -4.83 105.19 111.80 1kya n GLY 369 Ca 0.01 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.08 1kya n GLY 369 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1kya n SER 370 N 0.00 1.97 -4.38 1.61 7.64 -1.14 -4.72 113.62 114.60 1kya n SER 370 Ca 0.00 -1.51 -0.32 0.00 1.01 0.00 0.00 58.87 58.05 1kya n SER 370 Cb 0.00 -0.04 -0.15 0.00 -1.01 0.00 0.00 64.21 63.02 1kya n SER 370 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1kya s VAL 371 N -0.83 2.70 -0.03 0.44 1.01 -1.25 -0.07 120.40 122.37 1kya s VAL 371 Ca 0.13 -0.83 0.06 0.00 0.00 0.00 0.00 61.98 61.34 1kya s VAL 371 Cb 0.08 -2.06 -0.01 0.00 0.00 0.00 0.00 36.38 34.39 1kya s VAL 371 CO 0.12 0.57 -0.20 -0.31 0.00 0.00 0.00 175.10 175.27 1kya s TYR 372 N -0.26 1.89 0.09 5.22 1.51 -0.38 -4.88 117.35 120.55 1kya s TYR 372 Ca 0.01 -0.42 -0.22 0.00 -1.01 0.00 0.00 57.07 55.42 1kya s TYR 372 Cb -0.13 -1.23 -0.07 0.00 -0.11 0.00 0.00 41.96 40.42 1kya s TYR 372 CO 0.03 -0.08 0.67 -1.12 -1.11 0.00 0.00 175.55 173.93 1kya s SER 373 N -0.34 7.18 -0.11 2.29 0.01 -1.26 0.33 113.70 121.80 1kya s SER 373 Ca 0.04 1.40 0.00 0.00 1.31 0.00 0.00 55.95 58.71 1kya s SER 373 Cb -0.09 -2.42 0.02 0.00 0.21 0.00 0.00 66.02 63.74 1kya s SER 373 CO 0.00 0.20 -0.09 -0.76 0.41 0.00 0.00 173.24 173.00 1kya s LEU 374 N -0.87 1.33 0.43 2.44 1.02 -0.52 -4.91 118.68 117.59 1kya s LEU 374 Ca 0.33 -0.32 -0.24 0.00 0.02 0.00 0.00 54.13 53.92 1kya s LEU 374 Cb -0.21 -0.86 -0.08 0.00 0.02 0.00 0.00 46.19 45.06 1kya s LEU 374 CO 0.22 -0.08 1.15 -2.16 0.02 0.00 0.00 176.35 175.49 1kya s PRO 375 N 1.46 3.94 0.81 1.29 0.04 -1.26 0.14 135.00 141.42 1kya s PRO 375 Ca 0.01 1.75 -0.11 0.00 0.04 0.00 0.00 61.00 62.69 1kya s PRO 375 Cb -0.13 -2.53 0.08 0.00 0.04 0.00 0.00 34.50 31.96 1kya s PRO 375 CO -0.06 -0.40 1.09 -1.54 0.04 0.00 0.00 177.00 176.13 1kya s SER 376 N -1.31 4.26 -1.22 6.66 1.04 -1.26 -4.08 113.70 117.79 1kya s SER 376 Ca 0.60 1.60 -0.31 0.00 0.48 0.00 0.00 55.95 58.32 1kya s SER 376 Cb -0.28 -2.32 0.04 0.00 0.10 0.00 0.00 66.02 63.55 1kya s SER 376 CO 0.35 -2.15 0.68 -3.20 0.98 0.00 0.00 173.24 169.89 1kya n ASN 377 N -3.58 -4.13 -3.98 7.02 5.15 -0.10 -4.95 115.26 110.69 1kya n ASN 377 Ca 0.08 -1.25 -0.08 0.00 -0.60 0.00 0.00 54.58 52.72 1kya n ASN 377 Cb 0.54 -1.96 -0.09 0.00 -0.53 0.00 0.00 39.78 37.74 1kya n ASN 377 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1kya s ALA 378 N -3.55 0.15 -0.13 5.20 0.00 -1.26 -4.94 121.76 117.24 1kya s ALA 378 Ca 0.47 -0.87 -0.14 0.00 0.00 0.00 0.00 51.96 51.43 1kya s ALA 378 Cb -0.25 0.33 -0.05 0.00 0.00 0.00 0.00 23.12 23.15 1kya s ALA 378 CO 0.96 -0.39 0.31 -0.51 0.00 0.00 0.00 175.76 176.13 1kya s ASP 379 N -2.68 6.51 -0.03 0.00 1.01 -1.26 -1.27 116.67 118.95 1kya s ASP 379 Ca 0.03 0.60 0.08 0.00 0.71 0.00 0.00 52.55 53.97 1kya s ASP 379 Cb 0.04 -2.19 -0.02 0.00 1.01 0.00 0.00 42.92 41.76 1kya s ASP 379 CO -0.09 0.15 -0.25 -0.63 0.21 0.00 0.00 175.17 174.55 1kya s ILE 380 N 0.14 2.02 -0.08 0.77 1.01 0.90 -2.07 121.20 123.90 1kya s ILE 380 Ca 0.18 -1.09 0.01 0.00 0.00 0.00 0.00 60.65 59.76 1kya s ILE 380 Cb -0.14 -1.68 0.02 0.00 0.01 0.00 0.00 42.46 40.67 1kya s ILE 380 CO 0.06 0.57 -0.10 -0.70 0.00 0.00 0.00 174.94 174.76 1kya s GLU 381 N -0.53 1.62 -0.00 2.79 2.12 -0.86 -0.95 118.70 122.88 1kya s GLU 381 Ca 0.08 -0.35 0.06 0.00 0.36 0.00 0.00 54.97 55.12 1kya s GLU 381 Cb -0.10 -1.45 -0.02 0.00 0.26 0.00 0.00 34.13 32.82 1kya s GLU 381 CO -0.00 -0.07 -0.20 0.42 -0.54 0.00 0.00 175.26 174.86 1kya s ILE 382 N 1.01 1.58 -0.04 -3.70 1.01 0.38 -0.99 121.20 120.46 1kya s ILE 382 Ca -0.08 -0.93 0.06 0.00 0.00 0.00 0.00 60.65 59.70 1kya s ILE 382 Cb -0.15 -1.33 -0.01 0.00 0.01 0.00 0.00 42.46 40.98 1kya s ILE 382 CO -0.00 0.38 -0.21 -0.94 0.00 0.00 0.00 174.94 174.17 1kya s SER 383 N -0.63 2.59 -0.71 3.58 1.04 -0.63 -0.54 113.70 118.40 1kya s SER 383 Ca 0.08 -0.42 0.05 0.00 0.48 0.00 0.00 55.95 56.13 1kya s SER 383 Cb -0.08 -0.59 0.24 0.00 0.10 0.00 0.00 66.02 65.69 1kya s SER 383 CO -0.00 0.22 0.76 0.49 0.98 0.00 0.00 173.24 175.69 1kya n PHE 384 N 2.90 3.51 -1.60 5.02 3.72 -0.13 -0.64 117.46 130.23 1kya n PHE 384 Ca -0.17 -4.06 -0.46 0.00 -0.05 0.00 0.00 57.45 52.71 1kya n PHE 384 Cb 0.52 -0.67 -0.04 0.00 -0.94 0.00 0.00 39.48 38.35 1kya n PHE 384 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 1kya n PRO 385 N 1.19 1.99 -1.71 -1.08 -0.02 -1.26 -4.00 135.00 130.12 1kya n PRO 385 Ca 0.27 0.65 -0.42 0.00 -2.02 0.00 0.00 63.50 61.98 1kya n PRO 385 Cb 0.39 -2.87 -0.03 0.00 -0.02 0.00 0.00 33.50 30.97 1kya n PRO 385 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1kya s ALA 386 N 6.23 3.76 0.01 3.55 0.00 -1.11 -4.66 121.76 129.55 1kya s ALA 386 Ca 0.98 1.45 0.05 0.00 0.00 0.00 0.00 51.96 54.45 1kya s ALA 386 Cb -0.56 -3.77 -0.02 0.00 0.00 0.00 0.00 23.12 18.77 1kya s ALA 386 CO 0.44 -1.24 -0.15 0.99 0.00 0.00 0.00 175.76 175.81 1kya s THR 387 N 2.78 1.18 -1.90 0.00 2.01 -1.26 -4.49 115.64 113.96 1kya s THR 387 Ca 0.81 -0.80 0.31 0.00 0.31 0.00 0.00 61.69 62.32 1kya s THR 387 Cb -0.46 -1.02 0.83 0.00 0.01 0.00 0.00 72.50 71.86 1kya s THR 387 CO 0.37 0.20 2.17 0.00 -0.69 0.00 0.00 174.62 176.67 1kya n ALA 388 N 2.36 2.63 0.37 7.40 0.00 -1.26 -2.37 120.51 129.65 1kya n ALA 388 Ca -0.16 -0.19 0.11 0.00 0.00 0.00 0.00 53.44 53.21 1kya n ALA 388 Cb 0.55 -1.51 0.49 0.00 0.00 0.00 0.00 19.45 18.98 1kya n ALA 388 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1kya n ALA 389 N -1.05 1.58 -3.90 0.00 0.00 -1.26 -4.04 120.51 111.84 1kya n ALA 389 Ca 0.22 0.09 -0.32 0.00 0.00 0.00 0.00 53.44 53.43 1kya n ALA 389 Cb 0.13 -1.37 -0.13 0.00 0.00 0.00 0.00 19.45 18.08 1kya n ALA 389 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1kya s ALA 390 N -3.32 3.33 0.66 0.00 0.00 -1.00 -1.78 121.76 119.65 1kya s ALA 390 Ca 0.04 -3.18 -0.17 0.00 0.00 0.00 0.00 51.96 48.65 1kya s ALA 390 Cb 0.09 -2.27 0.00 0.00 0.00 0.00 0.00 23.12 20.94 1kya s ALA 390 CO 0.36 -2.00 1.21 -2.14 0.00 0.00 0.00 175.76 173.19 1kya s PRO 391 N -0.08 2.56 0.00 0.00 0.02 -1.26 -4.14 135.00 132.10 1kya s PRO 391 Ca 0.16 1.79 0.00 0.00 0.02 0.00 0.00 61.00 62.97 1kya s PRO 391 Cb -0.24 -1.88 0.00 0.00 0.02 0.00 0.00 34.50 32.40 1kya s PRO 391 CO -0.02 -1.52 0.00 0.41 -0.33 0.00 0.00 177.00 175.54 1kya n GLY 392 N 0.41 0.86 3.70 0.52 0.00 -1.26 -5.06 105.19 104.36 1kya n GLY 392 Ca 0.14 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.80 1kya n GLY 392 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kya n ALA 393 N -1.27 0.45 -2.41 4.61 0.00 -1.26 -4.28 120.51 116.36 1kya n ALA 393 Ca 0.00 -0.18 -0.41 0.00 0.00 0.00 0.00 53.44 52.85 1kya n ALA 393 Cb 0.00 -2.27 -0.04 0.00 0.00 0.00 0.00 19.45 17.14 1kya n ALA 393 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1kya s PRO 394 N -3.72 4.62 -0.32 0.00 0.04 -1.26 -5.05 135.00 129.31 1kya s PRO 394 Ca 0.77 1.35 -0.21 0.00 0.04 0.00 0.00 61.00 62.95 1kya s PRO 394 Cb -0.33 -3.40 -0.00 0.00 0.04 0.00 0.00 34.50 30.81 1kya s PRO 394 CO 0.46 0.16 0.67 -1.01 0.04 0.00 0.00 177.00 177.33 1kya s HIS 395 N 0.24 3.19 -0.47 0.56 3.76 -1.26 -4.86 115.29 116.46 1kya s HIS 395 Ca 0.46 0.58 -0.27 0.00 -0.15 0.00 0.00 55.06 55.67 1kya s HIS 395 Cb -0.22 -3.10 0.03 0.00 1.11 0.00 0.00 32.58 30.40 1kya s HIS 395 CO 0.28 -0.55 1.03 -2.14 -0.85 0.00 0.00 174.74 172.51 1kya s PRO 396 N 2.74 3.64 0.06 8.40 0.02 -1.26 -1.52 135.00 147.08 1kya s PRO 396 Ca 0.27 0.38 -0.11 0.00 0.02 0.00 0.00 61.00 61.55 1kya s PRO 396 Cb -0.15 -3.91 -0.06 0.00 0.02 0.00 0.00 34.50 30.40 1kya s PRO 396 CO 0.13 -1.30 0.41 -0.06 -0.33 0.00 0.00 177.00 175.85 1kya s PHE 397 N 4.10 3.62 -0.02 6.54 0.40 0.15 0.36 117.98 133.13 1kya s PHE 397 Ca 0.43 0.86 0.05 0.00 -0.60 0.00 0.00 56.93 57.67 1kya s PHE 397 Cb -0.09 -2.21 -0.01 0.00 0.51 0.00 0.00 43.02 41.23 1kya s PHE 397 CO 0.29 0.54 -0.17 -1.58 0.70 0.00 0.00 175.22 175.01 1kya s HIS 398 N -1.32 1.54 -0.13 0.36 5.65 0.85 -1.29 115.29 120.95 1kya s HIS 398 Ca 0.31 -0.33 0.01 0.00 0.25 0.00 0.00 55.06 55.29 1kya s HIS 398 Cb -0.15 -1.01 -0.01 0.00 -1.18 0.00 0.00 32.58 30.23 1kya s HIS 398 CO 0.17 -0.06 -0.15 -1.17 -0.65 0.00 0.00 174.74 172.87 1kya s LEU 399 N -0.27 2.58 0.44 8.88 0.20 -1.07 -1.85 118.68 127.59 1kya s LEU 399 Ca 0.04 -0.39 -0.09 0.00 0.69 0.00 0.00 54.13 54.38 1kya s LEU 399 Cb -0.08 -1.57 -0.06 0.00 -0.43 0.00 0.00 46.19 44.06 1kya s LEU 399 CO 0.00 0.15 0.80 -1.00 -0.29 0.00 0.00 176.35 176.01 1kya s HIS 400 N 0.43 3.51 0.00 5.38 3.76 -0.42 -4.27 115.29 123.67 1kya s HIS 400 Ca -0.11 1.01 0.00 0.00 -0.15 0.00 0.00 55.06 55.81 1kya s HIS 400 Cb -0.16 -2.44 0.00 0.00 1.11 0.00 0.00 32.58 31.09 1kya s HIS 400 CO 0.05 -0.20 0.00 0.41 -0.85 0.00 0.00 174.74 174.15 1kya n GLY 401 N -1.68 1.55 3.24 -2.22 0.00 -1.26 -4.74 105.19 100.08 1kya n GLY 401 Ca 0.02 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.95 1kya n GLY 401 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1kya s HIS 402 N -2.21 0.23 -0.09 1.61 4.02 -1.26 -4.71 115.29 112.88 1kya s HIS 402 Ca 0.00 -0.64 -0.02 0.00 1.02 0.00 0.00 55.06 55.43 1kya s HIS 402 Cb 0.00 -0.06 -0.03 0.00 -1.02 0.00 0.00 32.58 31.47 1kya s HIS 402 CO 0.00 -0.59 -0.02 0.00 1.02 0.00 0.00 174.74 175.15 1kya s ALA 403 N -3.89 3.19 0.30 -1.40 0.00 -1.26 -4.75 121.76 113.95 1kya s ALA 403 Ca 0.09 -0.82 0.10 0.00 0.00 0.00 0.00 51.96 51.32 1kya s ALA 403 Cb 0.04 -1.45 -0.05 0.00 0.00 0.00 0.00 23.12 21.66 1kya s ALA 403 CO -0.08 0.53 -0.08 -0.59 0.00 0.00 0.00 175.76 175.53 1kya s PHE 404 N -0.68 2.46 -0.15 0.00 -0.12 0.86 -4.83 117.98 115.53 1kya s PHE 404 Ca 0.11 -0.37 -0.15 0.00 -0.05 0.00 0.00 56.93 56.47 1kya s PHE 404 Cb -0.12 -1.23 -0.05 0.00 -0.63 0.00 0.00 43.02 40.99 1kya s PHE 404 CO 0.02 0.61 0.34 0.00 -0.05 0.00 0.00 175.22 176.14 1kya s ALA 405 N -2.49 3.56 -0.96 1.99 0.00 0.56 -0.63 121.76 123.79 1kya s ALA 405 Ca 0.32 -0.38 -0.16 0.00 0.00 0.00 0.00 51.96 51.74 1kya s ALA 405 Cb -0.03 -2.46 0.17 0.00 0.00 0.00 0.00 23.12 20.80 1kya s ALA 405 CO 0.17 0.07 1.09 0.08 0.00 0.00 0.00 175.76 177.17 1kya s VAL 406 N 0.51 5.09 0.39 0.00 1.01 -0.87 -1.06 120.40 125.46 1kya s VAL 406 Ca 0.19 -2.11 0.15 0.00 0.00 0.00 0.00 61.98 60.22 1kya s VAL 406 Cb -0.14 -4.71 0.15 0.00 0.00 0.00 0.00 36.38 31.68 1kya s VAL 406 CO 0.05 -1.39 1.90 -0.37 0.00 0.00 0.00 175.10 175.30 1kya h VAL 407 N 5.22 1.12 -3.25 2.92 -1.51 -1.55 -3.41 116.25 115.79 1kya h VAL 407 Ca 0.17 -1.00 -0.41 0.00 -1.23 0.00 0.00 66.70 64.24 1kya h VAL 407 Cb 0.99 1.55 -0.39 0.00 -2.13 0.00 0.00 31.29 31.31 1kya h VAL 407 CO 1.04 0.28 -0.75 -0.60 -1.23 0.00 0.00 177.57 176.31 1kya s ARG 408 N -4.30 0.12 0.39 5.19 3.52 -1.03 0.36 118.95 123.20 1kya s ARG 408 Ca -0.03 0.21 -0.01 0.00 -0.13 0.00 0.00 55.73 55.77 1kya s ARG 408 Cb 0.14 -0.91 -0.03 0.00 -1.56 0.00 0.00 34.95 32.59 1kya s ARG 408 CO 0.70 -0.40 0.62 -1.12 -0.81 0.00 0.00 175.30 174.28 1kya s SER 409 N 2.11 6.27 0.45 -2.12 0.01 -1.26 -2.09 113.70 117.06 1kya s SER 409 Ca 0.04 0.57 -0.25 0.00 1.31 0.00 0.00 55.95 57.62 1kya s SER 409 Cb -0.13 -2.07 -0.08 0.00 0.21 0.00 0.00 66.02 63.95 1kya s SER 409 CO -0.05 -0.39 1.39 0.00 0.41 0.00 0.00 173.24 174.61 1kya s ALA 410 N -2.44 3.21 -0.85 1.44 0.00 -1.26 -2.43 121.76 119.42 1kya s ALA 410 Ca 0.42 1.40 0.00 0.00 0.00 0.00 0.00 51.96 53.78 1kya s ALA 410 Cb -0.10 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.46 1kya s ALA 410 CO 0.38 -1.12 0.00 0.41 0.00 0.00 0.00 175.76 175.43 1kya n GLY 411 N 0.60 0.83 3.14 0.00 0.00 -1.26 -4.97 105.19 103.53 1kya n GLY 411 Ca 0.05 -0.64 -0.12 0.00 0.00 0.00 0.00 46.02 45.31 1kya n GLY 411 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1kya s SER 412 N -2.86 -0.11 0.00 1.61 0.15 -1.02 -5.04 113.70 106.44 1kya s SER 412 Ca 0.00 0.08 0.15 0.00 0.70 0.00 0.00 55.95 56.87 1kya s SER 412 Cb 0.00 0.31 0.33 0.00 -1.71 0.00 0.00 66.02 64.95 1kya s SER 412 CO 0.00 -0.29 1.24 0.35 1.20 0.00 0.00 173.24 175.74 1kya n THR 413 N 1.91 0.71 -3.08 6.45 -2.24 -1.26 -4.66 114.28 112.12 1kya n THR 413 Ca -0.19 -0.86 -0.36 0.00 -2.27 0.00 0.00 64.05 60.38 1kya n THR 413 Cb 0.57 0.74 -0.06 0.00 -2.10 0.00 0.00 70.33 69.47 1kya n THR 413 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1kya s VAL 414 N -1.07 4.55 -0.32 2.28 1.01 -1.26 -5.06 120.40 120.54 1kya s VAL 414 Ca 0.27 1.28 0.01 0.00 0.00 0.00 0.00 61.98 63.54 1kya s VAL 414 Cb 0.15 -3.83 0.07 0.00 0.00 0.00 0.00 36.38 32.78 1kya s VAL 414 CO 0.21 0.13 0.02 -0.31 0.00 0.00 0.00 175.10 175.14 1kya s TYR 415 N -1.61 3.44 -0.46 5.22 1.51 -1.26 -4.30 117.35 119.88 1kya s TYR 415 Ca 0.46 -2.37 -0.17 0.00 -1.01 0.00 0.00 57.07 53.98 1kya s TYR 415 Cb -0.16 -2.45 0.05 0.00 -0.11 0.00 0.00 41.96 39.30 1kya s TYR 415 CO 0.20 -0.89 0.47 1.21 -1.11 0.00 0.00 175.55 175.43 1kya s ASN 416 N 1.22 6.18 0.00 2.29 3.84 0.16 -4.89 114.94 123.74 1kya s ASN 416 Ca -0.00 -1.00 0.25 0.00 0.21 0.00 0.00 52.86 52.31 1kya s ASN 416 Cb -0.20 -2.22 0.33 0.00 -0.55 0.00 0.00 41.25 38.60 1kya s ASN 416 CO -0.04 -0.69 1.34 -1.22 -2.79 0.00 0.00 177.10 173.70 1kya n TYR 417 N 5.59 0.01 -0.03 0.43 4.01 -1.26 -4.22 117.16 121.68 1kya n TYR 417 Ca -0.09 -0.00 -0.04 0.00 -0.16 0.00 0.00 57.90 57.60 1kya n TYR 417 Cb 0.45 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.45 1kya n TYR 417 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 1kya n ASP 418 N 1.17 3.52 -0.00 7.72 2.03 -1.26 -4.34 116.55 125.38 1kya n ASP 418 Ca 0.15 -0.03 0.00 0.00 0.52 0.00 0.00 54.79 55.43 1kya n ASP 418 Cb 0.56 0.03 0.00 0.00 -0.72 0.00 0.00 41.12 40.99 1kya n ASP 418 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1kya n ASN 419 N -2.61 1.70 -4.76 1.67 5.03 -1.26 -4.79 115.26 110.24 1kya n ASN 419 Ca -0.11 -1.87 -0.38 0.00 0.87 0.00 0.00 54.58 53.08 1kya n ASN 419 Cb 0.64 -0.01 0.01 0.00 -1.02 0.00 0.00 39.78 39.40 1kya n ASN 419 CO 0.00 0.00 0.00 -2.16 -1.83 0.00 0.00 177.26 173.27 1kya s PRO 420 N -0.88 3.53 0.84 3.52 0.04 -1.26 -4.44 135.00 136.34 1kya s PRO 420 Ca 0.01 2.08 -0.11 0.00 0.04 0.00 0.00 61.00 63.02 1kya s PRO 420 Cb 0.01 -2.42 0.10 0.00 0.04 0.00 0.00 34.50 32.22 1kya s PRO 420 CO 0.00 -0.83 1.10 0.96 0.04 0.00 0.00 177.00 178.26 1kya s ILE 421 N -1.37 2.87 0.07 0.56 -5.25 -1.20 -4.53 121.20 112.35 1kya s ILE 421 Ca 0.66 0.28 0.07 0.00 -0.99 0.00 0.00 60.65 60.67 1kya s ILE 421 Cb -0.36 -2.91 -0.04 0.00 2.95 0.00 0.00 42.46 42.10 1kya s ILE 421 CO 0.44 -0.37 -0.16 -0.36 -1.79 0.00 0.00 174.94 172.70 1kya s PHE 422 N -3.06 2.60 0.23 1.37 0.08 -1.26 -2.06 117.98 115.89 1kya s PHE 422 Ca 0.62 -0.23 -0.21 0.00 0.12 0.00 0.00 56.93 57.23 1kya s PHE 422 Cb -0.16 -1.43 0.07 0.00 -0.57 0.00 0.00 43.02 40.93 1kya s PHE 422 CO 0.55 0.33 0.97 -0.98 -0.10 0.00 0.00 175.22 176.00 1kya s ARG 423 N -1.78 1.51 0.00 0.44 1.70 0.20 -4.67 118.95 116.34 1kya s ARG 423 Ca 0.17 -0.96 0.05 0.00 -0.47 0.00 0.00 55.73 54.52 1kya s ARG 423 Cb -0.11 0.43 -0.03 0.00 -0.57 0.00 0.00 34.95 34.68 1kya s ARG 423 CO 0.08 -0.70 0.33 -0.40 -1.08 0.00 0.00 175.30 173.53 1kya n ASP 424 N -1.18 0.55 -3.93 -2.89 5.68 -1.26 -0.10 116.55 113.42 1kya n ASP 424 Ca -0.04 -0.77 -0.23 0.00 -0.50 0.00 0.00 54.79 53.24 1kya n ASP 424 Cb 0.60 0.74 -0.17 0.00 -1.14 0.00 0.00 41.12 41.15 1kya n ASP 424 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 1kya s VAL 425 N -1.20 0.83 -0.02 2.12 1.01 -1.26 -2.59 120.40 119.29 1kya s VAL 425 Ca 0.03 -0.26 0.01 0.00 0.00 0.00 0.00 61.98 61.76 1kya s VAL 425 Cb 0.04 -0.83 0.01 0.00 0.00 0.00 0.00 36.38 35.60 1kya s VAL 425 CO 0.17 0.30 -0.03 0.54 0.00 0.00 0.00 175.10 176.08 1kya s VAL 426 N 1.10 0.30 0.05 2.92 0.11 -0.41 -4.95 120.40 119.52 1kya s VAL 426 Ca -0.07 -0.08 -0.31 0.00 -2.93 0.00 0.00 61.98 58.59 1kya s VAL 426 Cb -0.14 -0.31 -0.06 0.00 -1.53 0.00 0.00 36.38 34.34 1kya s VAL 426 CO -0.01 0.12 1.32 -0.55 -3.33 0.00 0.00 175.10 172.66 1kya s SER 427 N 0.39 6.93 -0.18 3.54 0.15 -1.26 -0.68 113.70 122.59 1kya s SER 427 Ca -0.04 2.12 0.06 0.00 0.70 0.00 0.00 55.95 58.80 1kya s SER 427 Cb -0.07 -2.57 0.46 0.00 -1.71 0.00 0.00 66.02 62.13 1kya s SER 427 CO -0.01 -0.62 1.33 0.35 1.20 0.00 0.00 173.24 175.50 1kya n THR 428 N 4.23 1.84 -4.05 6.45 -2.24 -0.57 -4.17 114.28 115.76 1kya n THR 428 Ca 0.11 -0.92 0.00 0.00 -2.27 0.00 0.00 64.05 60.97 1kya n THR 428 Cb 0.44 -0.47 0.00 0.00 -2.10 0.00 0.00 70.33 68.21 1kya n THR 428 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1kya n GLY 429 N 0.12 0.93 3.16 3.38 0.00 -1.26 -4.36 105.19 107.16 1kya n GLY 429 Ca 0.22 -0.73 -0.09 0.00 0.00 0.00 0.00 46.02 45.42 1kya n GLY 429 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1kya s THR 430 N 0.00 0.16 -0.44 2.61 -4.23 -1.26 -4.13 115.64 108.34 1kya s THR 430 Ca 0.00 -1.28 0.14 0.00 -1.18 0.00 0.00 61.69 59.37 1kya s THR 430 Cb 0.00 -1.27 0.14 0.00 1.34 0.00 0.00 72.50 72.71 1kya s THR 430 CO 0.00 -0.71 1.42 -2.65 -0.54 0.00 0.00 174.62 172.15 1kya n PRO 431 N 0.18 0.09 0.05 3.99 -0.02 -1.26 -2.99 135.00 135.04 1kya n PRO 431 Ca -0.16 0.59 0.12 0.00 -2.02 0.00 0.00 63.50 62.02 1kya n PRO 431 Cb 0.61 -1.82 0.08 0.00 -0.02 0.00 0.00 33.50 32.35 1kya n PRO 431 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1kya n ALA 432 N -1.67 3.07 1.25 3.55 0.00 -1.26 -3.25 120.51 122.20 1kya n ALA 432 Ca -0.01 -0.32 0.13 0.00 0.00 0.00 0.00 53.44 53.24 1kya n ALA 432 Cb 0.04 -1.07 0.35 0.00 0.00 0.00 0.00 19.45 18.78 1kya n ALA 432 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1kya n ALA 433 N -1.88 3.05 -2.62 0.00 0.00 -1.16 -4.94 120.51 112.96 1kya n ALA 433 Ca 0.02 -0.44 -0.20 0.00 0.00 0.00 0.00 53.44 52.82 1kya n ALA 433 Cb 0.46 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 18.81 1kya n ALA 433 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1kya n GLY 434 N 1.33 -0.51 3.59 0.00 0.00 -1.20 -4.90 105.19 103.50 1kya n GLY 434 Ca 0.13 0.04 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 1kya n GLY 434 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1kya n ASP 435 N -2.13 0.08 -2.69 1.61 8.00 -1.20 -4.93 116.55 115.28 1kya n ASP 435 Ca -0.19 0.59 -0.07 0.00 0.71 0.00 0.00 54.79 55.83 1kya n ASP 435 Cb 0.65 -1.39 0.11 0.00 -0.02 0.00 0.00 41.12 40.47 1kya n ASP 435 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1kya n ASN 436 N -1.97 -1.49 -4.50 -2.24 5.15 -1.26 -2.76 115.26 106.20 1kya n ASN 436 Ca 0.12 -2.47 -0.57 0.00 -0.60 0.00 0.00 54.58 51.06 1kya n ASN 436 Cb 0.50 0.82 -0.07 0.00 -0.53 0.00 0.00 39.78 40.50 1kya n ASN 436 CO 0.00 0.00 0.00 0.52 1.40 0.00 0.00 177.26 179.18 1kya n VAL 437 N -0.59 0.18 -4.20 3.44 0.31 -1.26 -4.58 118.33 111.63 1kya n VAL 437 Ca -0.02 -0.05 -0.18 0.00 -0.01 0.00 0.00 64.34 64.08 1kya n VAL 437 Cb 0.85 -0.12 -0.15 0.00 -0.91 0.00 0.00 33.84 33.51 1kya n VAL 437 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1kya s THR 438 N -0.03 0.53 0.23 2.52 2.01 -0.89 -0.96 115.64 119.05 1kya s THR 438 Ca 0.88 -0.20 0.07 0.00 0.31 0.00 0.00 61.69 62.74 1kya s THR 438 Cb -1.20 -0.50 -0.05 0.00 0.01 0.00 0.00 72.50 70.77 1kya s THR 438 CO 0.56 0.19 -0.09 0.27 -0.69 0.00 0.00 174.62 174.85 1kya s ILE 439 N 0.37 1.59 0.01 1.82 -4.36 0.30 -1.71 121.20 119.23 1kya s ILE 439 Ca -0.05 -2.15 -0.01 0.00 -0.26 0.00 0.00 60.65 58.18 1kya s ILE 439 Cb -0.09 -2.22 -0.01 0.00 1.25 0.00 0.00 42.46 41.39 1kya s ILE 439 CO -0.00 -0.47 0.00 -0.13 0.24 0.00 0.00 174.94 174.59 1kya s ARG 440 N -3.71 0.29 0.11 0.37 0.52 -0.22 -0.47 118.95 115.85 1kya s ARG 440 Ca 0.25 -0.49 -0.22 0.00 -0.52 0.00 0.00 55.73 54.76 1kya s ARG 440 Cb 0.02 0.11 0.06 0.00 0.52 0.00 0.00 34.95 35.66 1kya s ARG 440 CO 0.08 -0.05 0.54 -0.59 0.02 0.00 0.00 175.30 175.31 1kya s PHE 441 N -1.24 -0.45 -0.15 -0.53 -0.71 -0.13 -0.32 117.98 114.47 1kya s PHE 441 Ca -0.13 0.31 -0.06 0.00 -1.04 0.00 0.00 56.93 56.00 1kya s PHE 441 Cb -0.08 0.44 -0.04 0.00 -1.21 0.00 0.00 43.02 42.12 1kya s PHE 441 CO -0.00 -0.76 0.08 -0.98 -1.34 0.00 0.00 175.22 172.21 1kya s ARG 442 N -3.32 3.64 -0.96 1.99 3.03 -1.26 -0.07 118.95 122.01 1kya s ARG 442 Ca -0.01 -0.29 -0.24 0.00 2.03 0.00 0.00 55.73 57.23 1kya s ARG 442 Cb -0.00 -3.14 0.02 0.00 -1.03 0.00 0.00 34.95 30.80 1kya s ARG 442 CO -0.09 0.51 1.61 0.95 -1.13 0.00 0.00 175.30 177.15 1kya s THR 443 N -0.28 3.74 -0.19 4.99 -4.23 -0.40 -4.68 115.64 114.59 1kya s THR 443 Ca 0.09 -0.55 0.09 0.00 -1.18 0.00 0.00 61.69 60.14 1kya s THR 443 Cb -0.12 -4.68 0.18 0.00 1.34 0.00 0.00 72.50 69.22 1kya s THR 443 CO 0.01 -1.59 1.12 -0.90 -0.54 0.00 0.00 174.62 172.73 1kya n ASP 444 N 10.67 2.43 -3.51 3.99 5.75 -1.26 -0.92 116.55 133.69 1kya n ASP 444 Ca 0.33 -2.42 -0.29 0.00 -0.01 0.00 0.00 54.79 52.41 1kya n ASP 444 Cb 0.50 -0.21 -0.14 0.00 -1.03 0.00 0.00 41.12 40.24 1kya n ASP 444 CO 0.00 0.00 0.00 0.21 -0.11 0.00 0.00 177.20 177.30 1kya s ASN 445 N -1.64 3.27 0.32 -1.12 3.84 -1.26 -5.06 114.94 113.29 1kya s ASN 445 Ca 0.17 -1.73 -0.29 0.00 0.21 0.00 0.00 52.86 51.22 1kya s ASN 445 Cb 0.13 -0.38 -0.12 0.00 -0.55 0.00 0.00 41.25 40.34 1kya s ASN 445 CO 0.04 -0.38 1.55 -2.65 -2.79 0.00 0.00 177.10 172.87 1kya n PRO 446 N 4.66 2.65 0.00 0.43 -0.02 -1.26 -4.86 135.00 136.60 1kya n PRO 446 Ca 0.03 0.94 0.00 0.00 -2.02 0.00 0.00 63.50 62.44 1kya n PRO 446 Cb 0.40 -2.69 0.00 0.00 -0.02 0.00 0.00 33.50 31.18 1kya n PRO 446 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1kya n GLY 447 N 1.64 3.16 3.70 -1.23 0.00 0.31 -4.79 105.19 107.98 1kya n GLY 447 Ca 0.06 -1.79 -0.41 0.00 0.00 0.00 0.00 46.02 43.89 1kya n GLY 447 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1kya s PRO 448 N -2.05 4.43 -0.03 1.61 0.04 -1.26 -1.34 135.00 136.41 1kya s PRO 448 Ca 0.00 1.05 0.04 0.00 0.04 0.00 0.00 61.00 62.13 1kya s PRO 448 Cb 0.00 -3.48 -0.01 0.00 0.04 0.00 0.00 34.50 31.05 1kya s PRO 448 CO 0.00 -0.06 -0.16 -1.58 0.04 0.00 0.00 177.00 175.24 1kya s TRP 449 N 1.18 1.53 0.46 0.56 0.52 0.71 -4.90 118.94 119.01 1kya s TRP 449 Ca 0.41 -0.39 -0.20 0.00 0.02 0.00 0.00 56.10 55.94 1kya s TRP 449 Cb -0.18 -1.02 -0.10 0.00 -1.15 0.00 0.00 33.47 31.02 1kya s TRP 449 CO 0.19 -0.11 0.99 0.12 0.02 0.00 0.00 176.95 178.16 1kya s PHE 450 N -0.08 3.20 -0.10 -1.98 5.36 -1.26 -0.17 117.98 122.95 1kya s PHE 450 Ca -0.00 1.59 -0.03 0.00 -0.96 0.00 0.00 56.93 57.52 1kya s PHE 450 Cb -0.09 -2.93 0.05 0.00 -0.34 0.00 0.00 43.02 39.70 1kya s PHE 450 CO 0.01 -0.41 0.11 -1.17 -1.46 0.00 0.00 175.22 172.30 1kya s LEU 451 N -3.37 0.10 0.21 6.12 2.96 -0.40 -1.30 118.68 123.00 1kya s LEU 451 Ca 0.64 -0.02 -0.23 0.00 -0.22 0.00 0.00 54.13 54.29 1kya s LEU 451 Cb -0.12 0.00 0.04 0.00 0.50 0.00 0.00 46.19 46.62 1kya s LEU 451 CO 0.17 -0.28 0.81 -1.38 -1.32 0.00 0.00 176.35 174.36 1kya s HIS 452 N 2.21 -0.20 0.24 5.38 -3.43 -0.77 -0.40 115.29 118.33 1kya s HIS 452 Ca 0.04 -0.17 -0.30 0.00 -0.80 0.00 0.00 55.06 53.83 1kya s HIS 452 Cb -0.13 0.66 -0.09 0.00 -1.43 0.00 0.00 32.58 31.59 1kya s HIS 452 CO -0.06 -1.02 1.07 0.00 -2.00 0.00 0.00 174.74 172.73 1kya n HIS 454 N 1.57 0.57 -2.74 0.00 -0.00 0.16 -4.38 115.22 110.39 1kya n HIS 454 Ca -0.00 -0.25 -0.42 0.00 0.46 0.00 0.00 57.72 57.51 1kya n HIS 454 Cb 0.46 -0.07 -0.03 0.00 -0.12 0.00 0.00 29.99 30.22 1kya n HIS 454 CO 0.00 0.00 0.00 0.42 0.46 0.00 0.00 176.34 177.22 1kya s ILE 455 N -1.62 4.19 0.35 3.57 1.01 -1.26 -4.64 121.20 122.80 1kya s ILE 455 Ca 0.23 -0.50 0.16 0.00 0.00 0.00 0.00 60.65 60.54 1kya s ILE 455 Cb 0.13 -4.83 0.34 0.00 0.01 0.00 0.00 42.46 38.11 1kya s ILE 455 CO 0.13 -1.65 1.65 -0.78 0.00 0.00 0.00 174.94 174.28 1kya h ASP 456 N 9.57 0.47 0.17 3.58 -0.00 -0.82 0.62 116.42 130.01 1kya h ASP 456 Ca -0.10 0.20 -0.02 0.00 -0.00 0.00 0.00 57.03 57.11 1kya h ASP 456 Cb 1.04 0.16 -0.00 0.00 -0.00 0.00 0.00 39.33 40.53 1kya h ASP 456 CO 1.24 -0.19 -0.08 -0.26 -0.00 0.00 0.00 179.24 179.95 1kya h PHE 457 N 0.26 0.00 0.07 0.28 0.04 -1.89 0.10 116.94 115.80 1kya h PHE 457 Ca 0.76 0.00 -0.28 0.00 2.80 0.00 0.00 57.97 61.24 1kya h PHE 457 Cb 1.81 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.94 1kya h PHE 457 CO -0.01 0.08 -1.47 0.45 -0.60 0.00 0.00 178.31 176.76 1kya h HIS 458 N 0.00 0.25 -0.06 -0.55 3.86 -0.12 -3.03 115.15 115.50 1kya h HIS 458 Ca -0.00 -0.18 -0.00 0.00 -1.16 0.00 0.00 60.37 59.02 1kya h HIS 458 Cb 0.19 -0.01 -0.00 0.00 1.06 0.00 0.00 27.41 28.64 1kya h HIS 458 CO 0.00 1.23 0.02 1.25 0.86 0.00 0.00 177.93 181.29 1kya h LEU 459 N 0.04 0.09 -2.29 2.43 6.46 -0.72 -1.45 115.31 119.88 1kya h LEU 459 Ca -0.21 -0.18 0.04 0.00 -0.12 0.00 0.00 57.88 57.42 1kya h LEU 459 Cb 1.96 -0.02 -0.01 0.00 -0.73 0.00 0.00 40.66 41.86 1kya h LEU 459 CO 0.13 0.24 0.19 -0.33 -0.62 0.00 0.00 178.44 178.06 1kya h GLU 460 N -0.07 0.00 -0.58 1.25 5.08 -0.92 0.48 114.58 119.81 1kya h GLU 460 Ca 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1kya h GLU 460 Cb 0.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.43 1kya h GLU 460 CO -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.01 1kya n ALA 461 N -2.26 2.72 -0.34 3.43 0.00 -0.70 -4.92 120.51 118.42 1kya n ALA 461 Ca 0.01 -1.06 0.00 0.00 0.00 0.00 0.00 53.44 52.39 1kya n ALA 461 Cb 0.30 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.76 1kya n ALA 461 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1kya n GLY 462 N 1.10 0.79 2.49 0.00 0.00 0.16 -0.97 105.19 108.76 1kya n GLY 462 Ca 0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.84 1kya n GLY 462 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1kya n PHE 463 N -2.25 2.43 -4.02 1.61 7.35 -0.63 -1.09 117.46 120.86 1kya n PHE 463 Ca 0.00 -2.80 -0.10 0.00 -0.76 0.00 0.00 57.45 53.80 1kya n PHE 463 Cb 0.00 -2.32 -0.06 0.00 0.35 0.00 0.00 39.48 37.45 1kya n PHE 463 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1kya s ALA 464 N 2.76 -0.02 0.15 3.13 0.00 -1.26 -2.71 121.76 123.80 1kya s ALA 464 Ca 0.59 -0.99 -0.14 0.00 0.00 0.00 0.00 51.96 51.42 1kya s ALA 464 Cb 0.16 1.10 0.02 0.00 0.00 0.00 0.00 23.12 24.40 1kya s ALA 464 CO -0.05 -0.80 0.37 0.08 0.00 0.00 0.00 175.76 175.36 1kya s VAL 465 N -4.03 0.07 -0.03 0.00 1.01 0.46 -4.27 120.40 113.60 1kya s VAL 465 Ca 0.24 -0.90 0.05 0.00 0.00 0.00 0.00 61.98 61.38 1kya s VAL 465 Cb 0.01 -1.44 -0.01 0.00 0.00 0.00 0.00 36.38 34.93 1kya s VAL 465 CO 0.09 -0.32 -0.19 -0.69 0.00 0.00 0.00 175.10 173.99 1kya s VAL 466 N -3.87 1.57 -0.28 2.92 1.01 0.90 -1.27 120.40 121.38 1kya s VAL 466 Ca 0.08 -0.82 -0.07 0.00 0.00 0.00 0.00 61.98 61.18 1kya s VAL 466 Cb 0.02 -1.33 0.00 0.00 0.00 0.00 0.00 36.38 35.07 1kya s VAL 466 CO -0.07 0.45 0.07 -0.36 0.00 0.00 0.00 175.10 175.19 1kya s PHE 467 N -0.18 3.13 -0.81 5.22 0.08 0.76 -1.25 117.98 124.93 1kya s PHE 467 Ca 0.01 -0.91 -0.19 0.00 0.12 0.00 0.00 56.93 55.96 1kya s PHE 467 Cb -0.10 -2.24 0.13 0.00 -0.57 0.00 0.00 43.02 40.24 1kya s PHE 467 CO 0.01 -0.55 0.96 0.00 -0.10 0.00 0.00 175.22 175.55 1kya s ALA 468 N 1.51 3.45 -0.22 5.36 0.00 0.15 -0.21 121.76 131.80 1kya s ALA 468 Ca 0.03 -2.61 -0.26 0.00 0.00 0.00 0.00 51.96 49.13 1kya s ALA 468 Cb -0.17 -3.83 -0.00 0.00 0.00 0.00 0.00 23.12 19.11 1kya s ALA 468 CO 0.02 -2.72 0.87 -2.00 0.00 0.00 0.00 175.76 171.94 1kya s GLU 469 N 2.50 4.23 -0.97 0.00 2.12 -0.45 -1.44 118.70 124.69 1kya s GLU 469 Ca 0.25 1.05 -0.12 0.00 0.36 0.00 0.00 54.97 56.50 1kya s GLU 469 Cb -0.11 -3.62 0.01 0.00 0.26 0.00 0.00 34.13 30.66 1kya s GLU 469 CO -0.03 -0.49 0.69 -3.47 -0.54 0.00 0.00 175.26 171.42 1kya n ASP 470 N 5.85 -5.33 -0.29 -1.70 2.03 0.12 -0.53 116.55 116.70 1kya n ASP 470 Ca 0.06 -0.90 0.11 0.00 0.52 0.00 0.00 54.79 54.58 1kya n ASP 470 Cb 0.48 -2.73 0.27 0.00 -0.72 0.00 0.00 41.12 38.42 1kya n ASP 470 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 1kya h ILE 471 N -1.06 0.46 -0.42 5.18 2.04 -1.81 -2.36 117.51 119.54 1kya h ILE 471 Ca -0.56 -0.12 0.05 0.00 1.00 0.00 0.00 64.86 65.23 1kya h ILE 471 Cb 1.33 0.09 -0.05 0.00 -0.74 0.00 0.00 36.82 37.45 1kya h ILE 471 CO 0.42 0.06 0.16 -0.65 0.00 0.00 0.00 178.15 178.14 1kya h PRO 472 N 0.34 0.32 0.00 2.37 0.11 -1.91 -2.48 132.00 130.76 1kya h PRO 472 Ca 0.52 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.61 1kya h PRO 472 Cb 0.98 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.02 1kya h PRO 472 CO -0.54 0.21 0.00 -0.25 -0.21 0.00 0.00 178.00 177.21 1kya n ASP 473 N -5.00 0.00 0.04 -2.05 8.00 -0.92 -4.38 116.55 112.24 1kya n ASP 473 Ca 0.03 0.50 -0.13 0.00 0.71 0.00 0.00 54.79 55.90 1kya n ASP 473 Cb 0.15 -0.50 -0.08 0.00 -0.02 0.00 0.00 41.12 40.67 1kya n ASP 473 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 1kya h VAL 474 N 0.00 0.00 -0.60 2.53 2.07 -1.05 0.24 116.25 119.44 1kya h VAL 474 Ca 0.00 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.55 1kya h VAL 474 Cb 0.49 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.22 1kya h VAL 474 CO 0.00 0.00 0.37 0.00 0.02 0.00 0.00 177.57 177.96 1kya h ALA 475 N -0.59 0.78 -0.37 1.67 0.00 -1.76 -1.59 119.26 117.40 1kya h ALA 475 Ca 0.01 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 1kya h ALA 475 Cb 0.60 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1kya h ALA 475 CO -0.31 0.10 -0.27 0.66 0.00 0.00 0.00 179.25 179.43 1kya h SER 476 N 0.72 0.88 0.40 0.00 4.64 -1.79 -3.16 113.55 115.24 1kya h SER 476 Ca 0.24 -0.44 -0.06 0.00 -0.47 0.00 0.00 61.79 61.06 1kya h SER 476 Cb 0.03 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 61.87 1kya h SER 476 CO -0.11 1.13 -0.29 0.00 -0.87 0.00 0.00 176.83 176.70 1kya h ALA 477 N 0.77 1.36 -2.35 5.18 0.00 -0.33 -3.36 119.26 120.53 1kya h ALA 477 Ca 0.07 -0.27 -0.61 0.00 0.00 0.00 0.00 54.91 54.10 1kya h ALA 477 Cb 0.85 -0.05 -0.41 0.00 0.00 0.00 0.00 17.79 18.18 1kya h ALA 477 CO 0.07 0.36 -0.54 0.09 0.00 0.00 0.00 179.25 179.24 1kya n ASN 478 N -3.96 3.74 -4.68 0.00 4.13 -0.62 -4.33 115.26 109.55 1kya n ASN 478 Ca -0.02 -3.40 -0.45 0.00 1.68 0.00 0.00 54.58 52.39 1kya n ASN 478 Cb 0.36 -0.71 -0.03 0.00 -1.54 0.00 0.00 39.78 37.86 1kya n ASN 478 CO 0.00 0.00 0.00 -2.65 0.28 0.00 0.00 177.26 174.89 1kya n PRO 479 N 1.07 2.17 -4.34 3.52 -0.02 -1.26 -4.89 135.00 131.25 1kya n PRO 479 Ca 0.28 0.78 -0.34 0.00 -2.02 0.00 0.00 63.50 62.20 1kya n PRO 479 Cb 0.40 -2.50 -0.11 0.00 -0.02 0.00 0.00 33.50 31.27 1kya n PRO 479 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1kya s VAL 480 N 0.37 4.09 0.69 -1.45 -7.23 -1.26 -4.95 120.40 110.66 1kya s VAL 480 Ca 0.72 -0.29 -0.14 0.00 -1.81 0.00 0.00 61.98 60.46 1kya s VAL 480 Cb -0.64 -2.79 0.02 0.00 0.56 0.00 0.00 36.38 33.52 1kya s VAL 480 CO 0.44 0.50 1.12 -2.16 -0.31 0.00 0.00 175.10 174.69 1kya s PRO 481 N 0.20 2.60 0.21 4.82 0.04 -1.26 -4.86 135.00 136.75 1kya s PRO 481 Ca -0.01 1.41 -0.10 0.00 0.04 0.00 0.00 61.00 62.34 1kya s PRO 481 Cb -0.13 -1.92 0.30 0.00 0.04 0.00 0.00 34.50 32.78 1kya s PRO 481 CO 0.02 -1.41 1.70 -0.56 0.04 0.00 0.00 177.00 176.80 1kya h GLN 482 N -0.21 0.24 -0.91 4.56 -0.00 -1.99 -0.43 115.11 116.37 1kya h GLN 482 Ca -0.46 -0.01 0.20 0.00 -0.00 0.00 0.00 58.65 58.37 1kya h GLN 482 Cb 1.25 -0.05 -0.07 0.00 -0.00 0.00 0.00 27.48 28.61 1kya h GLN 482 CO 0.53 0.16 0.60 0.00 -0.00 0.00 0.00 178.83 180.12 1kya h ALA 483 N 1.49 2.14 -0.25 0.06 0.00 -1.99 -0.28 119.26 120.42 1kya h ALA 483 Ca 0.32 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.17 1kya h ALA 483 Cb 0.48 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1kya h ALA 483 CO -0.41 -0.43 -0.16 2.35 0.00 0.00 0.00 179.25 180.59 1kya h TRP 484 N 0.46 0.65 0.00 0.00 7.01 -1.44 -2.75 115.95 119.87 1kya h TRP 484 Ca 0.48 -0.17 0.00 0.00 2.11 0.00 0.00 58.89 61.30 1kya h TRP 484 Cb 1.12 -0.15 0.00 0.00 -2.10 0.00 0.00 29.16 28.04 1kya h TRP 484 CO -0.00 0.84 0.00 -1.13 -2.79 0.00 0.00 178.44 175.36 1kya n SER 485 N -4.43 0.64 0.07 2.65 3.41 -0.22 -2.08 113.62 113.66 1kya n SER 485 Ca -0.04 0.67 0.06 0.00 -0.26 0.00 0.00 58.87 59.30 1kya n SER 485 Cb 0.38 -0.80 -0.04 0.00 -0.26 0.00 0.00 64.21 63.49 1kya n SER 485 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1kya n ASP 486 N -2.22 0.82 -0.20 4.04 8.00 -0.58 -4.47 116.55 121.94 1kya n ASP 486 Ca 0.02 0.34 -0.07 0.00 0.71 0.00 0.00 54.79 55.79 1kya n ASP 486 Cb 0.20 0.38 -0.01 0.00 -0.02 0.00 0.00 41.12 41.67 1kya n ASP 486 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1kya h LEU 487 N 0.00 -1.29 -0.38 0.64 4.07 -1.13 -2.45 115.31 114.76 1kya h LEU 487 Ca -0.08 0.23 -0.03 0.00 0.08 0.00 0.00 57.88 58.09 1kya h LEU 487 Cb 1.26 0.62 -0.02 0.00 1.08 0.00 0.00 40.66 43.60 1kya h LEU 487 CO 0.02 -0.32 0.12 0.00 -1.08 0.00 0.00 178.44 177.18 1kya h PRO 489 N 0.47 1.04 -0.01 0.00 0.11 -1.74 0.11 132.00 131.98 1kya h PRO 489 Ca 0.12 -0.06 -0.13 0.00 0.11 0.00 0.00 66.00 66.04 1kya h PRO 489 Cb 0.26 -0.23 -0.02 0.00 0.11 0.00 0.00 31.00 31.12 1kya h PRO 489 CO -0.00 0.69 -0.61 0.00 -0.21 0.00 0.00 178.00 177.87 1kya h THR 490 N 1.07 1.43 0.09 -1.15 1.03 -1.38 -2.85 112.91 111.15 1kya h THR 490 Ca 0.30 -2.07 -0.28 0.00 -0.01 0.00 0.00 66.41 64.35 1kya h THR 490 Cb -0.10 2.11 0.03 0.00 -1.07 0.00 0.00 68.15 69.11 1kya h THR 490 CO -0.07 0.59 -1.15 0.22 -0.01 0.00 0.00 175.52 175.10 1kya h TYR 491 N 0.03 0.99 0.00 0.00 3.20 -0.57 -3.28 116.97 117.33 1kya h TYR 491 Ca -0.01 -0.60 -0.02 0.00 3.14 0.00 0.00 58.73 61.24 1kya h TYR 491 Cb 1.08 -0.09 -0.00 0.00 1.54 0.00 0.00 36.73 39.26 1kya h TYR 491 CO 0.00 1.44 -0.10 -0.44 -1.64 0.00 0.00 178.16 177.43 1kya h ASP 492 N 0.26 0.00 1.18 -2.11 3.32 -0.84 -2.72 116.42 115.51 1kya h ASP 492 Ca -0.17 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.82 1kya h ASP 492 Cb 1.82 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 41.36 1kya h ASP 492 CO 0.22 0.10 -0.30 0.00 -1.72 0.00 0.00 179.24 177.54 1kya h ALA 493 N 1.90 0.91 -2.90 3.45 0.00 -1.56 -3.45 119.26 117.61 1kya h ALA 493 Ca -0.00 -0.27 -0.53 0.00 0.00 0.00 0.00 54.91 54.11 1kya h ALA 493 Cb 0.65 -0.05 0.10 0.00 0.00 0.00 0.00 17.79 18.50 1kya h ALA 493 CO 0.01 0.37 0.60 1.03 0.00 0.00 0.00 179.25 181.27 1kya s ARG 494 N -3.40 3.64 0.38 0.00 1.81 -1.03 -5.00 118.95 115.34 1kya s ARG 494 Ca 0.02 2.16 -0.24 0.00 -1.72 0.00 0.00 55.73 55.95 1kya s ARG 494 Cb 0.09 -2.53 -0.10 0.00 -0.45 0.00 0.00 34.95 31.95 1kya s ARG 494 CO 0.67 -0.76 0.95 -0.51 -0.68 0.00 0.00 175.30 174.97 1kya s ASP 495 N -0.87 7.13 0.26 0.23 1.01 -1.26 -4.94 116.67 118.23 1kya s ASP 495 Ca 0.63 1.77 0.06 0.00 0.71 0.00 0.00 52.55 55.73 1kya s ASP 495 Cb -0.38 -2.56 0.76 0.00 1.01 0.00 0.00 42.92 41.75 1kya s ASP 495 CO 0.47 -0.22 1.26 -2.65 0.21 0.00 0.00 175.17 174.25 1kya n PRO 496 N -0.02 -0.06 -0.07 8.23 -0.02 -1.26 -1.97 135.00 139.83 1kya n PRO 496 Ca 0.04 1.17 -0.20 0.00 -2.02 0.00 0.00 63.50 62.50 1kya n PRO 496 Cb 0.52 -1.94 -0.13 0.00 -0.02 0.00 0.00 33.50 31.93 1kya n PRO 496 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1kya n SER 497 N -5.04 2.04 -0.28 2.55 3.41 -1.26 -4.19 113.62 110.85 1kya n SER 497 Ca 0.23 0.01 0.00 0.00 -0.26 0.00 0.00 58.87 58.85 1kya n SER 497 Cb 0.75 -0.61 0.00 0.00 -0.26 0.00 0.00 64.21 64.09 1kya n SER 497 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1kya n ASP 498 N -3.36 0.03 0.00 4.04 8.00 -0.83 -4.85 116.55 119.58 1kya n ASP 498 Ca -0.40 -0.12 0.00 0.00 0.71 0.00 0.00 54.79 54.98 1kya n ASP 498 Cb 1.01 -0.02 0.00 0.00 -0.02 0.00 0.00 41.12 42.10 1kya n ASP 498 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81