#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wkl s ARG 2 N 0.00 1.55 0.76 0.00 0.52 -1.07 -4.94 118.95 115.76 2wkl s ARG 2 Ca 0.00 -0.52 -0.10 0.00 -0.52 0.00 0.00 55.73 54.59 2wkl s ARG 2 Cb 0.00 -1.36 0.06 0.00 0.52 0.00 0.00 34.95 34.16 2wkl s ARG 2 CO 0.00 0.20 1.11 -1.25 0.02 0.00 0.00 175.30 175.39 2wkl s PRO 3 N 0.09 2.24 0.16 3.54 0.04 -1.26 -0.98 135.00 138.83 2wkl s PRO 3 Ca -0.04 0.10 -0.33 0.00 0.04 0.00 0.00 61.00 60.78 2wkl s PRO 3 Cb -0.11 -2.03 -0.12 0.00 0.04 0.00 0.00 34.50 32.28 2wkl s PRO 3 CO 0.02 -1.36 1.71 0.00 0.04 0.00 0.00 177.00 177.41 2wkl s ILE 5 N 1.59 4.80 0.21 0.00 -1.09 -1.26 -5.00 121.20 120.45 2wkl s ILE 5 Ca 0.79 -0.48 -0.27 0.00 -2.23 0.00 0.00 60.65 58.46 2wkl s ILE 5 Cb -0.57 -4.36 -0.09 0.00 -1.58 0.00 0.00 42.46 35.86 2wkl s ILE 5 CO 0.36 -0.91 0.85 -2.16 -1.23 0.00 0.00 174.94 171.86 2wkl s PRO 6 N 2.82 4.66 -0.02 2.79 0.04 -1.26 -0.21 135.00 143.82 2wkl s PRO 6 Ca 0.16 1.29 0.03 0.00 0.04 0.00 0.00 61.00 62.52 2wkl s PRO 6 Cb -0.19 -3.20 -0.00 0.00 0.04 0.00 0.00 34.50 31.15 2wkl s PRO 6 CO 0.12 0.51 -0.11 0.21 0.04 0.00 0.00 177.00 177.77 2wkl s LYS 7 N -1.31 1.05 -0.08 4.56 2.20 -0.52 -4.90 119.74 120.75 2wkl s LYS 7 Ca 0.40 -0.39 -0.10 0.00 -0.36 0.00 0.00 55.97 55.52 2wkl s LYS 7 Cb -0.23 -0.98 -0.05 0.00 -1.51 0.00 0.00 37.83 35.06 2wkl s LYS 7 CO 0.28 0.19 0.24 0.45 -0.36 0.00 0.00 175.35 176.15 2wkl s SER 8 N -0.03 6.54 -0.16 1.43 0.15 -1.26 -0.88 113.70 119.49 2wkl s SER 8 Ca 0.00 0.64 0.17 0.00 0.70 0.00 0.00 55.95 57.47 2wkl s SER 8 Cb -0.07 -2.14 0.39 0.00 -1.71 0.00 0.00 66.02 62.49 2wkl s SER 8 CO 0.00 0.37 1.26 0.49 1.20 0.00 0.00 173.24 176.56 2wkl n PHE 9 N 1.96 0.35 -0.38 3.44 3.01 -1.26 -4.94 117.46 119.63 2wkl n PHE 9 Ca -0.18 -1.02 0.00 0.00 1.01 0.00 0.00 57.45 57.26 2wkl n PHE 9 Cb 0.54 -0.23 0.00 0.00 -0.01 0.00 0.00 39.48 39.78 2wkl n PHE 9 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2wkl n GLY 10 N -1.11 0.69 0.00 1.37 0.00 -1.26 -4.96 105.19 99.92 2wkl n GLY 10 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 2wkl n GLY 10 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2wkl n TYR 11 N -2.00 -3.32 1.52 1.61 4.02 -1.26 -4.98 117.16 112.74 2wkl n TYR 11 Ca 0.00 0.00 0.13 0.00 -0.01 0.00 0.00 57.90 58.02 2wkl n TYR 11 Cb 0.00 0.00 0.75 0.00 -0.02 0.00 0.00 39.34 40.07 2wkl n TYR 11 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 2wkl n SER 12 N -2.97 0.00 -1.41 7.72 3.41 -1.26 -4.85 113.62 114.27 2wkl n SER 12 Ca 0.00 -0.55 -0.01 0.00 -0.26 0.00 0.00 58.87 58.05 2wkl n SER 12 Cb 0.00 -0.11 0.01 0.00 -0.26 0.00 0.00 64.21 63.84 2wkl n SER 12 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2wkl n SER 13 N -1.11 -0.42 -4.88 4.04 2.88 -0.60 -4.79 113.62 108.74 2wkl n SER 13 Ca 0.17 -1.27 -0.21 0.00 -1.33 0.00 0.00 58.87 56.24 2wkl n SER 13 Cb 0.14 0.70 -0.03 0.00 -0.75 0.00 0.00 64.21 64.27 2wkl n SER 13 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 2wkl s VAL 14 N -2.67 3.41 0.40 2.46 -7.23 -1.25 -4.45 120.40 111.07 2wkl s VAL 14 Ca 0.04 -1.31 0.08 0.00 -1.81 0.00 0.00 61.98 58.97 2wkl s VAL 14 Cb -0.01 -3.17 -0.03 0.00 0.56 0.00 0.00 36.38 33.74 2wkl s VAL 14 CO 0.02 -0.13 0.32 0.68 -0.31 0.00 0.00 175.10 175.67 2wkl s VAL 15 N -2.32 2.72 -0.18 1.32 -7.23 -0.06 -4.39 120.40 110.25 2wkl s VAL 15 Ca 0.43 -1.43 -0.07 0.00 -1.81 0.00 0.00 61.98 59.11 2wkl s VAL 15 Cb -0.06 -3.02 -0.04 0.00 0.56 0.00 0.00 36.38 33.83 2wkl s VAL 15 CO 0.28 -0.03 0.04 0.00 -0.31 0.00 0.00 175.10 175.07 2wkl s VAL 17 N 0.45 5.00 0.06 0.00 1.01 0.71 -0.91 120.40 126.73 2wkl s VAL 17 Ca 0.02 1.51 0.06 0.00 0.00 0.00 0.00 61.98 63.57 2wkl s VAL 17 Cb -0.13 -4.07 -0.03 0.00 0.00 0.00 0.00 36.38 32.15 2wkl s VAL 17 CO 0.01 0.25 -0.17 0.00 0.00 0.00 0.00 175.10 175.20 2wkl n ASN 19 N 1.56 0.00 0.22 0.00 0.23 -0.38 -0.95 115.26 115.94 2wkl n ASN 19 Ca -0.19 0.00 0.15 0.00 -0.53 0.00 0.00 54.58 54.01 2wkl n ASN 19 Cb 0.54 0.00 0.47 0.00 -2.08 0.00 0.00 39.78 38.71 2wkl n ASN 19 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2wkl h ALA 20 N 1.08 1.00 0.00 -2.53 0.00 -1.90 -3.33 119.26 113.58 2wkl h ALA 20 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2wkl h ALA 20 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2wkl h ALA 20 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 179.25 179.50 2wkl n THR 21 N -2.91 0.00 -3.69 0.00 -2.24 -1.26 -4.27 114.28 99.90 2wkl n THR 21 Ca 0.02 -0.38 -0.12 0.00 -2.27 0.00 0.00 64.05 61.30 2wkl n THR 21 Cb 0.38 1.15 -0.12 0.00 -2.10 0.00 0.00 70.33 69.65 2wkl n THR 21 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 2wkl s TYR 22 N -0.27 -0.51 -0.11 4.78 5.04 -1.25 -5.14 117.35 119.89 2wkl s TYR 22 Ca 0.00 1.10 -0.11 0.00 -2.44 0.00 0.00 57.07 55.62 2wkl s TYR 22 Cb 0.00 0.12 0.03 0.00 0.35 0.00 0.00 41.96 42.46 2wkl s TYR 22 CO 0.00 -0.34 0.30 0.00 -1.34 0.00 0.00 175.55 174.17 2wkl s ASP 24 N 0.08 5.69 0.19 0.00 -4.77 -1.26 -4.73 116.67 111.87 2wkl s ASP 24 Ca -0.01 2.89 -0.23 0.00 -3.30 0.00 0.00 52.55 51.90 2wkl s ASP 24 Cb -0.02 -2.65 0.06 0.00 -1.09 0.00 0.00 42.92 39.21 2wkl s ASP 24 CO 0.01 -1.30 0.66 -0.94 0.70 0.00 0.00 175.17 174.30 2wkl s SER 25 N -0.62 -0.45 0.14 2.11 1.04 -0.15 -4.92 113.70 110.85 2wkl s SER 25 Ca 0.64 -0.20 0.01 0.00 0.48 0.00 0.00 55.95 56.89 2wkl s SER 25 Cb -0.43 0.62 -0.04 0.00 0.10 0.00 0.00 66.02 66.28 2wkl s SER 25 CO 0.54 -1.06 0.29 -0.36 0.98 0.00 0.00 173.24 173.63 2wkl s PHE 26 N -3.75 3.49 0.57 5.02 0.40 -0.34 -2.61 117.98 120.76 2wkl s PHE 26 Ca 0.05 0.19 -0.08 0.00 -0.60 0.00 0.00 56.93 56.48 2wkl s PHE 26 Cb -0.03 -1.72 -0.03 0.00 0.51 0.00 0.00 43.02 41.75 2wkl s PHE 26 CO -0.06 0.50 0.93 -0.51 0.70 0.00 0.00 175.22 176.78 2wkl s ASP 27 N -3.07 6.08 0.62 1.36 1.01 -1.26 -4.55 116.67 116.86 2wkl s ASP 27 Ca 0.35 1.12 -0.18 0.00 0.71 0.00 0.00 52.55 54.56 2wkl s ASP 27 Cb -0.11 -2.24 -0.04 0.00 1.01 0.00 0.00 42.92 41.54 2wkl s ASP 27 CO 0.28 -0.84 1.02 -2.65 0.21 0.00 0.00 175.17 173.20 2wkl n PRO 28 N -2.58 0.89 -1.61 8.23 -0.02 -1.26 -4.91 135.00 133.74 2wkl n PRO 28 Ca 0.04 0.35 -0.37 0.00 -2.02 0.00 0.00 63.50 61.50 2wkl n PRO 28 Cb 0.55 -2.24 0.06 0.00 -0.02 0.00 0.00 33.50 31.85 2wkl n PRO 28 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2wkl n PRO 29 N -1.27 0.85 -2.41 0.52 -0.02 -1.26 -5.05 135.00 126.36 2wkl n PRO 29 Ca 0.14 0.34 -0.10 0.00 -2.02 0.00 0.00 63.50 61.86 2wkl n PRO 29 Cb 0.48 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.75 2wkl n PRO 29 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 2wkl n THR 30 N -1.87 0.00 -3.17 3.45 -1.04 -1.26 -5.10 114.28 105.29 2wkl n THR 30 Ca 0.14 -0.85 -0.21 0.00 -2.04 0.00 0.00 64.05 61.09 2wkl n THR 30 Cb 0.48 -0.31 -0.06 0.00 -1.82 0.00 0.00 70.33 68.62 2wkl n THR 30 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 2wkl n PHE 31 N -1.00 -1.48 -1.65 -1.42 3.72 -1.26 -5.12 117.46 109.25 2wkl n PHE 31 Ca -0.01 -2.91 -0.38 0.00 -0.05 0.00 0.00 57.45 54.10 2wkl n PHE 31 Cb 0.24 0.41 0.05 0.00 -0.94 0.00 0.00 39.48 39.25 2wkl n PHE 31 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 2wkl n PRO 32 N 2.32 1.11 -1.42 -1.08 -0.02 -1.26 -4.90 135.00 129.75 2wkl n PRO 32 Ca 0.23 0.42 -0.39 0.00 -2.02 0.00 0.00 63.50 61.75 2wkl n PRO 32 Cb 0.52 -2.25 0.03 0.00 -0.02 0.00 0.00 33.50 31.78 2wkl n PRO 32 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wkl n ALA 33 N -1.47 -1.62 -1.65 3.55 0.00 -1.26 -4.62 120.51 113.45 2wkl n ALA 33 Ca 0.13 0.00 -0.47 0.00 0.00 0.00 0.00 53.44 53.10 2wkl n ALA 33 Cb 0.46 -1.73 -0.04 0.00 0.00 0.00 0.00 19.45 18.14 2wkl n ALA 33 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2wkl n LEU 34 N 1.06 2.71 0.00 0.00 -0.00 -1.26 -1.49 117.00 118.02 2wkl n LEU 34 Ca 0.11 1.12 0.00 0.00 -0.00 0.00 0.00 56.01 57.23 2wkl n LEU 34 Cb 0.46 -1.37 0.00 0.00 -0.00 0.00 0.00 43.42 42.51 2wkl n LEU 34 CO 0.52 -0.58 0.00 0.61 -0.00 0.00 0.00 177.39 177.94 2wkl n GLY 35 N 2.69 0.33 3.37 -3.96 0.00 -1.26 -5.07 105.19 101.28 2wkl n GLY 35 Ca 0.15 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.97 2wkl n GLY 35 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2wkl s THR 36 N -2.00 1.88 0.11 2.61 -4.23 -0.55 -0.72 115.64 112.75 2wkl s THR 36 Ca 0.00 -2.22 0.06 0.00 -1.18 0.00 0.00 61.69 58.35 2wkl s THR 36 Cb 0.00 -2.07 -0.04 0.00 1.34 0.00 0.00 72.50 71.73 2wkl s THR 36 CO 0.00 -0.53 -0.14 0.72 -0.54 0.00 0.00 174.62 174.13 2wkl s PHE 37 N -2.79 1.38 -0.07 3.99 -0.12 0.58 -4.45 117.98 116.50 2wkl s PHE 37 Ca 0.23 -0.54 -0.03 0.00 -0.05 0.00 0.00 56.93 56.54 2wkl s PHE 37 Cb -0.02 -0.73 -0.04 0.00 -0.63 0.00 0.00 43.02 41.60 2wkl s PHE 37 CO 0.08 0.13 0.09 -1.12 -0.05 0.00 0.00 175.22 174.35 2wkl s SER 38 N -2.34 5.87 -0.09 1.98 0.01 0.36 -1.97 113.70 117.52 2wkl s SER 38 Ca 0.07 0.28 0.02 0.00 1.31 0.00 0.00 55.95 57.63 2wkl s SER 38 Cb -0.06 -1.77 0.01 0.00 0.21 0.00 0.00 66.02 64.41 2wkl s SER 38 CO 0.03 0.35 -0.15 -0.60 0.41 0.00 0.00 173.24 173.28 2wkl s ARG 39 N -1.28 2.10 -0.19 12.44 3.52 0.59 -1.06 118.95 135.07 2wkl s ARG 39 Ca 0.18 -0.53 -0.07 0.00 -0.13 0.00 0.00 55.73 55.17 2wkl s ARG 39 Cb -0.12 -1.74 -0.04 0.00 -1.56 0.00 0.00 34.95 31.49 2wkl s ARG 39 CO 0.08 -0.00 0.06 0.71 -0.81 0.00 0.00 175.30 175.33 2wkl s TYR 40 N 0.81 3.21 -0.06 5.12 1.51 -0.47 -0.12 117.35 127.36 2wkl s TYR 40 Ca -0.11 -0.01 0.04 0.00 -1.01 0.00 0.00 57.07 55.99 2wkl s TYR 40 Cb -0.16 -2.09 -0.00 0.00 -0.11 0.00 0.00 41.96 39.60 2wkl s TYR 40 CO 0.02 0.08 -0.20 -2.00 -1.11 0.00 0.00 175.55 172.33 2wkl s GLU 41 N 0.54 2.25 -0.05 -0.62 2.12 -0.08 -0.86 118.70 121.99 2wkl s GLU 41 Ca 0.03 -0.72 0.05 0.00 0.36 0.00 0.00 54.97 54.69 2wkl s GLU 41 Cb -0.13 -1.85 -0.00 0.00 0.26 0.00 0.00 34.13 32.40 2wkl s GLU 41 CO 0.01 0.24 -0.19 -1.12 -0.54 0.00 0.00 175.26 173.66 2wkl s SER 42 N 0.13 2.38 0.14 -1.70 0.01 -0.36 -0.96 113.70 113.35 2wkl s SER 42 Ca -0.08 -0.39 0.08 0.00 1.31 0.00 0.00 55.95 56.86 2wkl s SER 42 Cb -0.14 -0.68 -0.04 0.00 0.21 0.00 0.00 66.02 65.37 2wkl s SER 42 CO 0.04 0.17 -0.18 0.42 0.41 0.00 0.00 173.24 174.11 2wkl s THR 43 N 0.02 1.67 0.57 1.44 -4.23 -0.82 -0.82 115.64 113.47 2wkl s THR 43 Ca -0.05 -1.80 0.36 0.00 -1.18 0.00 0.00 61.69 59.03 2wkl s THR 43 Cb -0.12 -1.70 0.39 0.00 1.34 0.00 0.00 72.50 72.40 2wkl s THR 43 CO 0.03 -0.30 2.27 -0.09 -0.54 0.00 0.00 174.62 175.99 2wkl h ARG 44 N 3.47 0.00 0.00 3.99 2.43 -1.40 -1.79 114.38 121.07 2wkl h ARG 44 Ca -0.42 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.75 2wkl h ARG 44 Cb 1.20 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.75 2wkl h ARG 44 CO 0.49 0.02 0.00 -1.13 -1.51 0.00 0.00 179.97 177.84 2wkl n SER 45 N -3.44 0.18 0.00 -3.80 3.41 -1.26 -4.56 113.62 104.15 2wkl n SER 45 Ca -0.03 0.53 0.00 0.00 -0.26 0.00 0.00 58.87 59.11 2wkl n SER 45 Cb 0.11 -0.57 0.00 0.00 -0.26 0.00 0.00 64.21 63.49 2wkl n SER 45 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wkl n GLY 46 N 0.93 0.92 3.76 5.00 0.00 -0.68 -5.01 105.19 110.11 2wkl n GLY 46 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 2wkl n GLY 46 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wkl s ARG 47 N 0.00 4.47 -0.35 1.61 0.52 -1.22 -4.86 118.95 119.12 2wkl s ARG 47 Ca 0.00 2.04 0.01 0.00 -0.52 0.00 0.00 55.73 57.26 2wkl s ARG 47 Cb 0.00 -3.13 0.11 0.00 0.52 0.00 0.00 34.95 32.45 2wkl s ARG 47 CO 0.00 -0.03 0.12 1.03 0.02 0.00 0.00 175.30 176.44 2wkl s ARG 48 N -1.55 1.06 -1.38 3.54 1.81 -1.25 -1.94 118.95 119.24 2wkl s ARG 48 Ca 0.48 -1.52 -0.07 0.00 -1.72 0.00 0.00 55.73 52.90 2wkl s ARG 48 Cb -0.36 -2.41 0.00 0.00 -0.45 0.00 0.00 34.95 31.73 2wkl s ARG 48 CO 0.47 -1.02 0.41 -1.33 -0.68 0.00 0.00 175.30 173.16 2wkl n MET 49 N 4.37 -2.18 -2.72 3.54 2.81 -0.13 -4.87 117.12 117.94 2wkl n MET 49 Ca 0.02 0.31 -0.42 0.00 -1.81 0.00 0.00 57.70 55.80 2wkl n MET 49 Cb 0.40 -4.06 -0.03 0.00 -0.71 0.00 0.00 33.22 28.82 2wkl n MET 49 CO 0.00 0.00 0.00 -2.00 1.51 0.00 0.00 175.97 175.48 2wkl s GLU 50 N -6.74 4.55 -0.03 0.03 2.12 -0.38 -4.67 118.70 113.59 2wkl s GLU 50 Ca 0.12 1.40 -0.19 0.00 0.36 0.00 0.00 54.97 56.66 2wkl s GLU 50 Cb -0.05 -3.46 -0.05 0.00 0.26 0.00 0.00 34.13 30.82 2wkl s GLU 50 CO 0.92 -0.06 0.55 -1.17 -0.54 0.00 0.00 175.26 174.96 2wkl s LEU 51 N 1.05 4.39 0.18 2.70 2.96 -1.26 -0.90 118.68 127.80 2wkl s LEU 51 Ca 0.51 1.07 -0.08 0.00 -0.22 0.00 0.00 54.13 55.41 2wkl s LEU 51 Cb -0.21 -2.84 -0.01 0.00 0.50 0.00 0.00 46.19 43.63 2wkl s LEU 51 CO 0.27 0.10 0.29 -0.94 -1.32 0.00 0.00 176.35 174.74 2wkl s SER 52 N -0.07 0.04 0.12 3.68 1.04 0.83 -4.99 113.70 114.36 2wkl s SER 52 Ca 0.29 -0.95 0.02 0.00 0.48 0.00 0.00 55.95 55.80 2wkl s SER 52 Cb -0.17 0.45 -0.04 0.00 0.10 0.00 0.00 66.02 66.35 2wkl s SER 52 CO 0.15 -0.92 -0.05 -0.04 0.98 0.00 0.00 173.24 173.37 2wkl s MET 53 N -4.00 0.92 0.24 4.02 -1.94 -1.26 -0.30 119.30 116.99 2wkl s MET 53 Ca 0.20 -1.40 -0.21 0.00 -1.71 0.00 0.00 55.69 52.57 2wkl s MET 53 Cb 0.03 -0.23 0.06 0.00 2.01 0.00 0.00 34.83 36.70 2wkl s MET 53 CO 0.03 -0.05 0.94 0.20 -0.01 0.00 0.00 175.02 176.12 2wkl s GLY 54 N -3.09 0.09 0.15 -0.03 0.00 -0.83 -4.97 107.32 98.64 2wkl s GLY 54 Ca 0.16 -0.34 -0.19 0.00 0.00 0.00 0.00 44.72 44.35 2wkl s GLY 54 CO -0.02 1.00 0.63 2.56 0.00 0.00 0.00 173.10 177.27 2wkl s PRO 55 N -2.58 4.19 -0.36 2.90 0.04 -1.26 -0.31 135.00 137.62 2wkl s PRO 55 Ca 0.17 0.75 -0.14 0.00 0.04 0.00 0.00 61.00 61.83 2wkl s PRO 55 Cb -0.03 -3.05 -0.00 0.00 0.04 0.00 0.00 34.50 31.45 2wkl s PRO 55 CO 0.06 0.52 0.26 0.42 0.04 0.00 0.00 177.00 178.30 2wkl s ILE 56 N -1.33 5.27 0.40 0.56 1.01 0.10 -4.64 121.20 122.57 2wkl s ILE 56 Ca 0.36 -0.37 0.08 0.00 0.00 0.00 0.00 60.65 60.72 2wkl s ILE 56 Cb -0.18 -3.78 -0.03 0.00 0.01 0.00 0.00 42.46 38.48 2wkl s ILE 56 CO 0.20 -0.11 0.32 0.00 0.00 0.00 0.00 174.94 175.36 2wkl s GLN 57 N 1.71 2.50 0.32 2.79 -2.07 -0.55 -4.65 119.66 119.71 2wkl s GLN 57 Ca 0.06 -1.55 0.17 0.00 -1.82 0.00 0.00 55.36 52.22 2wkl s GLN 57 Cb -0.18 -2.32 0.25 0.00 -1.09 0.00 0.00 33.01 29.67 2wkl s GLN 57 CO 0.10 -0.13 1.53 0.00 -1.32 0.00 0.00 175.29 175.48 2wkl h ALA 58 N 1.14 0.77 -3.02 2.60 0.00 -1.87 0.47 119.26 119.34 2wkl h ALA 58 Ca -0.42 -0.38 -0.68 0.00 0.00 0.00 0.00 54.91 53.43 2wkl h ALA 58 Cb 1.26 -0.07 -0.11 0.00 0.00 0.00 0.00 17.79 18.87 2wkl h ALA 58 CO 0.60 0.53 -0.56 0.54 0.00 0.00 0.00 179.25 180.35 2wkl s ASN 59 N -6.41 5.74 -0.45 0.00 2.20 -1.26 -4.78 114.94 109.98 2wkl s ASN 59 Ca 0.03 0.29 -0.22 0.00 -0.94 0.00 0.00 52.86 52.02 2wkl s ASN 59 Cb 0.08 -1.73 0.03 0.00 -2.00 0.00 0.00 41.25 37.62 2wkl s ASN 59 CO 0.72 0.39 0.75 -2.28 -2.94 0.00 0.00 177.10 173.74 2wkl s HIS 60 N -0.95 3.00 -0.28 1.54 2.46 -1.26 -4.72 115.29 115.08 2wkl s HIS 60 Ca 0.14 0.06 0.22 0.00 0.47 0.00 0.00 55.06 55.95 2wkl s HIS 60 Cb -0.12 -3.59 -0.22 0.00 -0.13 0.00 0.00 32.58 28.52 2wkl s HIS 60 CO 0.03 -0.98 0.70 -2.37 -2.47 0.00 0.00 174.74 169.65 2wkl n THR 61 N 6.04 0.11 -2.81 0.89 5.66 -1.26 -4.98 114.28 117.93 2wkl n THR 61 Ca 0.01 -0.40 -0.25 0.00 -3.05 0.00 0.00 64.05 60.35 2wkl n THR 61 Cb 0.48 0.12 0.01 0.00 -1.55 0.00 0.00 70.33 69.38 2wkl n THR 61 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 2wkl s GLY 62 N -4.17 1.51 0.00 1.09 0.00 -1.26 -5.04 107.32 99.46 2wkl s GLY 62 Ca -0.03 -0.76 0.00 0.00 0.00 0.00 0.00 44.72 43.93 2wkl s GLY 62 CO 0.87 -0.59 0.29 -1.30 0.00 0.00 0.00 173.10 172.38 2wkl n THR 63 N -2.20 0.02 0.00 0.90 -2.24 -1.26 -5.03 114.28 104.47 2wkl n THR 63 Ca 0.01 -0.29 0.00 0.00 -2.27 0.00 0.00 64.05 61.50 2wkl n THR 63 Cb 0.56 1.42 0.00 0.00 -2.10 0.00 0.00 70.33 70.22 2wkl n THR 63 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wkl n GLY 64 N -0.01 1.17 3.71 3.38 0.00 -1.26 -5.00 105.19 107.18 2wkl n GLY 64 Ca 0.00 -0.97 -0.42 0.00 0.00 0.00 0.00 46.02 44.63 2wkl n GLY 64 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2wkl s LEU 65 N 0.00 4.38 -0.22 0.99 2.96 -1.26 -4.90 118.68 120.63 2wkl s LEU 65 Ca 0.00 2.76 -0.04 0.00 -0.22 0.00 0.00 54.13 56.63 2wkl s LEU 65 Cb 0.00 -3.59 -0.01 0.00 0.50 0.00 0.00 46.19 43.10 2wkl s LEU 65 CO 0.00 -0.95 -0.04 -0.22 -1.32 0.00 0.00 176.35 173.82 2wkl s LEU 66 N 1.78 2.92 -0.25 -0.68 2.96 -1.26 -1.12 118.68 123.04 2wkl s LEU 66 Ca 0.76 -0.38 -0.11 0.00 -0.22 0.00 0.00 54.13 54.17 2wkl s LEU 66 Cb -0.47 -1.75 -0.05 0.00 0.50 0.00 0.00 46.19 44.43 2wkl s LEU 66 CO 0.33 -0.02 0.20 -0.76 -1.32 0.00 0.00 176.35 174.79 2wkl s LEU 67 N 1.46 4.09 -0.18 -0.68 1.43 -0.30 0.95 118.68 125.44 2wkl s LEU 67 Ca 0.06 0.13 -0.01 0.00 -1.03 0.00 0.00 54.13 53.27 2wkl s LEU 67 Cb -0.14 -2.16 -0.00 0.00 0.03 0.00 0.00 46.19 43.91 2wkl s LEU 67 CO -0.03 0.01 -0.11 -0.89 0.23 0.00 0.00 176.35 175.56 2wkl s THR 68 N 1.31 2.93 0.37 5.49 2.01 0.15 -0.87 115.64 127.03 2wkl s THR 68 Ca 0.09 -0.66 -0.27 0.00 0.31 0.00 0.00 61.69 61.16 2wkl s THR 68 Cb -0.14 -2.28 -0.09 0.00 0.01 0.00 0.00 72.50 69.99 2wkl s THR 68 CO 0.07 0.48 1.23 -0.22 -0.69 0.00 0.00 174.62 175.49 2wkl s LEU 69 N 1.11 4.30 -0.51 4.42 2.96 0.25 -1.40 118.68 129.80 2wkl s LEU 69 Ca 0.01 2.51 0.05 0.00 -0.22 0.00 0.00 54.13 56.47 2wkl s LEU 69 Cb -0.14 -3.85 0.18 0.00 0.50 0.00 0.00 46.19 42.87 2wkl s LEU 69 CO -0.03 -0.63 0.42 0.00 -1.32 0.00 0.00 176.35 174.78 2wkl n GLN 70 N 0.39 0.82 0.28 1.98 1.13 -0.49 -4.55 117.38 116.94 2wkl n GLN 70 Ca 0.02 -3.64 0.15 0.00 -1.94 0.00 0.00 57.00 51.60 2wkl n GLN 70 Cb 0.44 -1.85 0.80 0.00 0.11 0.00 0.00 30.24 29.75 2wkl n GLN 70 CO 0.00 0.00 0.00 -1.35 -1.44 0.00 0.00 177.06 174.27 2wkl h PRO 71 N 5.37 0.00 0.00 -1.09 0.11 -1.95 -1.78 132.00 132.67 2wkl h PRO 71 Ca 0.22 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.26 2wkl h PRO 71 Cb 0.85 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.95 2wkl h PRO 71 CO 0.50 0.08 -0.32 0.93 -0.21 0.00 0.00 178.00 178.98 2wkl h GLU 72 N 0.00 0.00 -6.52 1.05 3.07 -1.95 -3.40 114.58 106.83 2wkl h GLU 72 Ca -0.00 0.00 -0.56 0.00 -0.50 0.00 0.00 59.36 58.30 2wkl h GLU 72 Cb 0.31 0.00 -0.06 0.00 -0.84 0.00 0.00 28.75 28.17 2wkl h GLU 72 CO 0.01 0.32 1.06 -0.65 -1.40 0.00 0.00 179.01 178.35 2wkl s GLN 73 N -3.74 3.49 -0.08 2.33 -0.21 -0.70 -5.02 119.66 115.73 2wkl s GLN 73 Ca -0.01 0.68 -0.04 0.00 0.02 0.00 0.00 55.36 56.01 2wkl s GLN 73 Cb 0.11 -4.05 -0.04 0.00 1.00 0.00 0.00 33.01 30.04 2wkl s GLN 73 CO 0.67 -1.69 0.09 0.15 -2.12 0.00 0.00 175.29 172.40 2wkl s LYS 74 N 5.09 3.25 0.00 2.91 -0.14 -1.26 -2.23 119.74 127.35 2wkl s LYS 74 Ca 0.56 -0.28 0.00 0.00 -1.36 0.00 0.00 55.97 54.89 2wkl s LYS 74 Cb -0.11 -3.02 0.00 0.00 -1.68 0.00 0.00 37.83 33.02 2wkl s LYS 74 CO 0.30 0.73 0.00 1.19 -0.76 0.00 0.00 175.35 176.81 2wkl n PHE 75 N 1.83 0.00 -1.55 3.18 3.01 -0.09 -5.00 117.46 118.84 2wkl n PHE 75 Ca -0.18 0.00 -0.32 0.00 1.01 0.00 0.00 57.45 57.96 2wkl n PHE 75 Cb 0.54 0.00 0.07 0.00 -0.01 0.00 0.00 39.48 40.08 2wkl n PHE 75 CO 0.00 0.00 0.00 1.14 1.01 0.00 0.00 176.76 178.91 2wkl s GLN 76 N 4.60 2.58 -0.13 -1.08 0.00 -1.26 -4.61 119.66 119.76 2wkl s GLN 76 Ca 0.00 1.29 -0.06 0.00 -0.00 0.00 0.00 55.36 56.59 2wkl s GLN 76 Cb 0.00 -1.93 -0.04 0.00 0.00 0.00 0.00 33.01 31.04 2wkl s GLN 76 CO 0.00 -1.41 0.11 0.15 0.00 0.00 0.00 175.29 174.14 2wkl s LYS 77 N -4.44 3.50 0.08 9.60 1.02 -1.26 -1.45 119.74 126.79 2wkl s LYS 77 Ca 0.64 -0.21 -0.28 0.00 0.02 0.00 0.00 55.97 56.14 2wkl s LYS 77 Cb -0.19 -3.15 -0.05 0.00 -0.52 0.00 0.00 37.83 33.92 2wkl s LYS 77 CO 0.48 0.66 0.89 0.08 -0.92 0.00 0.00 175.35 176.54 2wkl s VAL 78 N -0.70 4.61 -0.13 3.17 1.01 0.18 -4.78 120.40 123.75 2wkl s VAL 78 Ca 0.13 1.91 -0.21 0.00 0.00 0.00 0.00 61.98 63.80 2wkl s VAL 78 Cb -0.12 -4.25 -0.26 0.00 0.00 0.00 0.00 36.38 31.76 2wkl s VAL 78 CO 0.03 0.33 0.58 0.50 0.00 0.00 0.00 175.10 176.53 2wkl h LYS 79 N 5.68 0.13 0.00 2.72 1.63 0.89 -1.68 116.57 125.94 2wkl h LYS 79 Ca -0.43 -0.23 0.00 0.00 -0.85 0.00 0.00 60.65 59.14 2wkl h LYS 79 Cb 1.21 0.08 0.00 0.00 -0.60 0.00 0.00 32.23 32.92 2wkl h LYS 79 CO 0.72 1.11 0.00 0.41 -3.45 0.00 0.00 179.45 178.23 2wkl n GLY 80 N 1.63 -1.63 3.17 5.01 0.00 -1.21 -4.43 105.19 107.73 2wkl n GLY 80 Ca -0.21 -1.39 -0.21 0.00 0.00 0.00 0.00 46.02 44.21 2wkl n GLY 80 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2wkl s PHE 81 N -2.33 1.34 -0.27 1.61 0.40 -1.26 -1.53 117.98 115.94 2wkl s PHE 81 Ca 0.00 -0.38 0.00 0.00 -0.60 0.00 0.00 56.93 55.95 2wkl s PHE 81 Cb 0.00 -0.79 0.00 0.00 0.51 0.00 0.00 43.02 42.74 2wkl s PHE 81 CO 0.00 0.06 0.00 0.41 0.70 0.00 0.00 175.22 176.39 2wkl n GLY 82 N 1.74 -0.60 3.83 4.36 0.00 0.12 -0.12 105.19 114.52 2wkl n GLY 82 Ca -0.18 -0.56 -0.07 0.00 0.00 0.00 0.00 46.02 45.21 2wkl n GLY 82 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2wkl s GLY 83 N 0.00 0.18 -0.21 -0.02 0.00 -1.19 0.57 107.32 106.65 2wkl s GLY 83 Ca 0.00 -0.51 -0.11 0.00 0.00 0.00 0.00 44.72 44.10 2wkl s GLY 83 CO 0.00 0.23 0.16 0.00 0.00 0.00 0.00 173.10 173.49 2wkl s ALA 84 N -2.70 3.65 -1.27 3.20 0.00 0.74 -1.42 121.76 123.96 2wkl s ALA 84 Ca 0.15 -0.74 -0.09 0.00 0.00 0.00 0.00 51.96 51.28 2wkl s ALA 84 Cb -0.05 -2.26 0.17 0.00 0.00 0.00 0.00 23.12 20.99 2wkl s ALA 84 CO 0.09 0.01 1.86 -0.12 0.00 0.00 0.00 175.76 177.60 2wkl n MET 85 N 3.84 3.65 -1.76 0.00 1.56 -0.38 -0.28 117.12 123.76 2wkl n MET 85 Ca -0.15 -3.56 -0.30 0.00 -0.27 0.00 0.00 57.70 53.43 2wkl n MET 85 Cb 0.52 -2.91 0.08 0.00 2.15 0.00 0.00 33.22 33.06 2wkl n MET 85 CO 0.00 0.00 0.00 0.95 -0.73 0.00 0.00 175.97 176.19 2wkl s THR 86 N 0.29 2.72 0.25 1.12 -4.23 -1.26 -4.55 115.64 109.98 2wkl s THR 86 Ca 0.39 0.23 -0.03 0.00 -1.18 0.00 0.00 61.69 61.11 2wkl s THR 86 Cb 0.09 -3.13 0.22 0.00 1.34 0.00 0.00 72.50 71.02 2wkl s THR 86 CO 0.01 -0.31 1.76 0.44 -0.54 0.00 0.00 174.62 175.98 2wkl h ASP 87 N -1.01 0.46 -0.64 3.99 3.32 -1.92 -0.82 116.42 119.81 2wkl h ASP 87 Ca -0.47 0.09 -0.02 0.00 0.02 0.00 0.00 57.03 56.65 2wkl h ASP 87 Cb 1.29 0.02 -0.03 0.00 0.22 0.00 0.00 39.33 40.83 2wkl h ASP 87 CO 0.63 0.21 0.32 0.00 -1.72 0.00 0.00 179.24 178.68 2wkl h ALA 88 N 1.53 0.82 -0.27 3.45 0.00 -1.44 -0.48 119.26 122.88 2wkl h ALA 88 Ca 0.43 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 55.18 2wkl h ALA 88 Cb 0.58 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 2wkl h ALA 88 CO -0.35 0.38 0.05 0.00 0.00 0.00 0.00 179.25 179.32 2wkl h ALA 89 N 1.14 0.35 -0.32 0.00 0.00 -1.39 -1.38 119.26 117.66 2wkl h ALA 89 Ca 0.22 -0.18 0.05 0.00 0.00 0.00 0.00 54.91 55.00 2wkl h ALA 89 Cb 0.10 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.74 2wkl h ALA 89 CO -0.03 0.03 0.02 0.00 0.00 0.00 0.00 179.25 179.27 2wkl h ALA 90 N 0.87 0.30 -0.05 0.00 0.00 -0.88 0.41 119.26 119.91 2wkl h ALA 90 Ca 0.08 0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.11 2wkl h ALA 90 Cb 0.33 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 2wkl h ALA 90 CO 0.00 -0.39 -0.19 -0.07 0.00 0.00 0.00 179.25 178.61 2wkl h LEU 91 N 0.12 -0.56 -0.96 0.00 3.38 -0.96 0.50 115.31 116.83 2wkl h LEU 91 Ca 0.15 0.09 -0.02 0.00 0.09 0.00 0.00 57.88 58.19 2wkl h LEU 91 Cb 0.20 0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.15 2wkl h LEU 91 CO -0.24 -0.25 0.48 0.78 0.09 0.00 0.00 178.44 179.30 2wkl h ASN 92 N -0.28 1.08 -0.26 -0.43 2.35 -0.81 -1.74 115.58 115.48 2wkl h ASN 92 Ca 0.07 -0.09 -0.03 0.00 -0.55 0.00 0.00 56.30 55.69 2wkl h ASN 92 Cb 0.38 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.46 2wkl h ASN 92 CO -0.21 0.87 0.04 0.40 -1.65 0.00 0.00 177.43 176.88 2wkl h ILE 93 N 1.22 1.23 0.00 2.81 2.04 -0.62 -3.05 117.51 121.14 2wkl h ILE 93 Ca 0.31 -0.80 0.00 0.00 1.00 0.00 0.00 64.86 65.37 2wkl h ILE 93 Cb 0.03 1.25 0.00 0.00 -0.74 0.00 0.00 36.82 37.35 2wkl h ILE 93 CO -0.05 0.26 0.00 0.18 0.00 0.00 0.00 178.15 178.54 2wkl n LEU 94 N -4.66 0.00 -0.18 1.44 4.77 0.14 -1.99 117.00 116.52 2wkl n LEU 94 Ca -0.03 0.22 0.14 0.00 -0.03 0.00 0.00 56.01 56.31 2wkl n LEU 94 Cb 0.21 -0.22 0.57 0.00 -2.33 0.00 0.00 43.42 41.65 2wkl n LEU 94 CO 0.37 -0.07 0.83 0.00 -1.33 0.00 0.00 177.39 177.20 2wkl n ALA 95 N -1.22 2.81 -2.24 -1.18 0.00 -0.70 -4.83 120.51 113.15 2wkl n ALA 95 Ca 0.11 -0.31 -0.23 0.00 0.00 0.00 0.00 53.44 53.01 2wkl n ALA 95 Cb 0.14 -1.28 0.02 0.00 0.00 0.00 0.00 19.45 18.33 2wkl n ALA 95 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2wkl s LEU 96 N -2.41 3.54 0.50 0.00 1.43 -0.84 -4.86 118.68 116.05 2wkl s LEU 96 Ca 0.30 0.30 -0.18 0.00 -1.03 0.00 0.00 54.13 53.52 2wkl s LEU 96 Cb 0.20 -3.17 -0.08 0.00 0.03 0.00 0.00 46.19 43.17 2wkl s LEU 96 CO 0.47 -0.81 1.00 -0.94 0.23 0.00 0.00 176.35 176.29 2wkl s SER 97 N -4.26 6.50 0.28 2.29 1.04 -1.26 -4.74 113.70 113.55 2wkl s SER 97 Ca 0.50 1.71 0.02 0.00 0.48 0.00 0.00 55.95 58.66 2wkl s SER 97 Cb -0.10 -2.53 0.63 0.00 0.10 0.00 0.00 66.02 64.12 2wkl s SER 97 CO 0.39 -0.67 1.74 -0.65 0.98 0.00 0.00 173.24 175.03 2wkl h PRO 98 N 1.20 0.54 -0.00 4.02 0.11 -1.95 0.28 132.00 136.19 2wkl h PRO 98 Ca -0.48 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 65.54 2wkl h PRO 98 Cb 1.20 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 2wkl h PRO 98 CO 0.60 0.35 -0.30 -1.35 -0.21 0.00 0.00 178.00 177.09 2wkl h PRO 99 N 0.55 0.00 -0.25 1.05 0.11 -1.92 -1.05 132.00 130.49 2wkl h PRO 99 Ca 0.51 -0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.56 2wkl h PRO 99 Cb 0.84 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.95 2wkl h PRO 99 CO -0.43 0.31 -0.11 0.00 -0.21 0.00 0.00 178.00 177.56 2wkl h ALA 100 N 1.69 0.36 -0.70 -0.75 0.00 -0.70 -2.50 119.26 116.65 2wkl h ALA 100 Ca -0.00 -0.30 0.15 0.00 0.00 0.00 0.00 54.91 54.76 2wkl h ALA 100 Cb 0.54 -0.09 -0.11 0.00 0.00 0.00 0.00 17.79 18.13 2wkl h ALA 100 CO 0.04 0.21 0.13 1.96 0.00 0.00 0.00 179.25 181.58 2wkl h GLN 101 N 0.25 0.22 -0.59 0.00 4.20 -0.34 -1.00 115.11 117.86 2wkl h GLN 101 Ca 0.06 -0.01 -0.07 0.00 0.06 0.00 0.00 58.65 58.68 2wkl h GLN 101 Cb 0.61 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.32 2wkl h GLN 101 CO 0.03 0.14 0.09 -0.91 -0.67 0.00 0.00 178.83 177.52 2wkl h ASN 102 N 0.22 0.94 -0.97 1.46 2.35 -1.07 -0.25 115.58 118.26 2wkl h ASN 102 Ca 0.39 -0.26 0.01 0.00 -0.55 0.00 0.00 56.30 55.89 2wkl h ASN 102 Cb 0.66 -0.25 -0.05 0.00 0.05 0.00 0.00 38.32 38.73 2wkl h ASN 102 CO -0.52 0.96 0.63 -0.07 -1.65 0.00 0.00 177.43 176.78 2wkl h LEU 103 N 0.88 1.12 0.04 1.61 3.38 -0.80 0.40 115.31 121.93 2wkl h LEU 103 Ca 0.18 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 2wkl h LEU 103 Cb 0.42 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.89 2wkl h LEU 103 CO 0.01 0.82 -0.02 0.25 0.09 0.00 0.00 178.44 179.59 2wkl h LEU 104 N 1.32 -0.05 -0.52 1.67 6.46 -0.81 -0.27 115.31 123.12 2wkl h LEU 104 Ca 0.35 -0.24 0.03 0.00 -0.12 0.00 0.00 57.88 57.91 2wkl h LEU 104 Cb -0.14 0.01 -0.04 0.00 -0.73 0.00 0.00 40.66 39.77 2wkl h LEU 104 CO -0.07 0.21 0.29 -0.07 -0.62 0.00 0.00 178.44 178.18 2wkl h LEU 105 N -0.31 0.45 -1.37 2.25 3.38 -0.68 -0.68 115.31 118.35 2wkl h LEU 105 Ca -0.01 0.02 0.06 0.00 0.09 0.00 0.00 57.88 58.04 2wkl h LEU 105 Cb 0.28 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 40.91 2wkl h LEU 105 CO 0.01 0.31 0.48 0.11 0.09 0.00 0.00 178.44 179.44 2wkl h LYS 106 N 0.57 0.75 -0.39 1.13 1.57 -0.14 0.13 116.57 120.19 2wkl h LYS 106 Ca 0.22 -0.05 0.04 0.00 -1.87 0.00 0.00 60.65 58.99 2wkl h LYS 106 Cb 0.08 -0.17 -0.04 0.00 0.08 0.00 0.00 32.23 32.18 2wkl h LYS 106 CO -0.12 0.50 0.17 0.77 -0.57 0.00 0.00 179.45 180.19 2wkl h SER 107 N 0.77 0.22 0.05 0.86 0.02 0.52 -1.38 113.55 114.61 2wkl h SER 107 Ca 0.31 0.03 -0.10 0.00 -0.84 0.00 0.00 61.79 61.19 2wkl h SER 107 Cb 0.23 -0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.78 2wkl h SER 107 CO -0.10 0.16 -0.40 1.88 -1.14 0.00 0.00 176.83 177.23 2wkl h TYR 108 N 0.35 0.32 0.00 3.45 0.99 -0.96 0.04 116.97 121.15 2wkl h TYR 108 Ca 0.17 -0.21 0.00 0.00 2.00 0.00 0.00 58.73 60.70 2wkl h TYR 108 Cb 0.12 -0.02 0.00 0.00 1.00 0.00 0.00 36.73 37.83 2wkl h TYR 108 CO -0.12 1.10 -1.62 1.19 -0.00 0.00 0.00 178.16 178.71 2wkl n PHE 109 N -4.38 0.00 -1.81 4.88 3.01 0.38 0.04 117.46 119.58 2wkl n PHE 109 Ca -0.11 0.00 -0.30 0.00 1.01 0.00 0.00 57.45 58.04 2wkl n PHE 109 Cb 0.62 -0.31 0.04 0.00 -0.01 0.00 0.00 39.48 39.82 2wkl n PHE 109 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 2wkl s SER 110 N -3.56 5.61 0.16 4.37 0.15 -0.53 -2.74 113.70 117.15 2wkl s SER 110 Ca -0.05 1.29 0.19 0.00 0.70 0.00 0.00 55.95 58.08 2wkl s SER 110 Cb 0.09 -2.18 0.81 0.00 -1.71 0.00 0.00 66.02 63.03 2wkl s SER 110 CO 0.57 -1.26 1.58 1.21 1.20 0.00 0.00 173.24 176.54 2wkl n GLU 111 N -2.98 0.11 0.00 5.44 2.13 -1.26 -1.10 120.64 122.98 2wkl n GLU 111 Ca 0.07 0.38 0.13 0.00 0.66 0.00 0.00 57.16 58.39 2wkl n GLU 111 Cb 0.56 -1.73 0.39 0.00 0.27 0.00 0.00 31.44 30.93 2wkl n GLU 111 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 2wkl n GLU 112 N -1.94 0.18 0.00 5.31 1.02 -1.26 -4.74 120.64 119.21 2wkl n GLU 112 Ca 0.02 -0.09 0.00 0.00 -0.02 0.00 0.00 57.16 57.08 2wkl n GLU 112 Cb 0.18 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.10 2wkl n GLU 112 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2wkl n GLY 113 N 1.45 3.77 0.69 0.62 0.00 -0.26 -1.20 105.19 110.26 2wkl n GLY 113 Ca 0.08 -0.98 0.06 0.00 0.00 0.00 0.00 46.02 45.18 2wkl n GLY 113 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2wkl n ILE 114 N 0.00 1.09 -3.28 -0.61 -5.35 -0.00 -4.87 119.36 106.35 2wkl n ILE 114 Ca 0.00 -1.06 -0.17 0.00 -0.27 0.00 0.00 62.75 61.25 2wkl n ILE 114 Cb 0.00 0.45 0.06 0.00 -1.74 0.00 0.00 39.64 38.40 2wkl n ILE 114 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2wkl n GLY 115 N 0.49 -0.12 3.53 3.28 0.00 -0.84 -2.24 105.19 109.29 2wkl n GLY 115 Ca 0.13 -0.01 -0.36 0.00 0.00 0.00 0.00 46.02 45.78 2wkl n GLY 115 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2wkl n TYR 116 N -4.30 -0.12 -1.92 1.61 0.53 0.11 -4.78 117.16 108.28 2wkl n TYR 116 Ca 0.01 0.38 0.00 0.00 -1.02 0.00 0.00 57.90 57.26 2wkl n TYR 116 Cb 0.54 -1.99 0.00 0.00 -1.03 0.00 0.00 39.34 36.86 2wkl n TYR 116 CO 0.00 0.00 0.00 0.27 -1.02 0.00 0.00 176.86 176.11 2wkl n ASN 117 N -0.86 0.00 -4.08 7.72 6.94 0.84 -4.76 115.26 121.05 2wkl n ASN 117 Ca 0.11 -1.51 -0.16 0.00 -0.02 0.00 0.00 54.58 53.01 2wkl n ASN 117 Cb 0.49 -0.10 -0.12 0.00 -2.36 0.00 0.00 39.78 37.69 2wkl n ASN 117 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 2wkl s ILE 118 N 0.00 0.73 -0.03 1.53 1.01 -0.54 -0.59 121.20 123.31 2wkl s ILE 118 Ca 0.00 -0.99 0.01 0.00 0.00 0.00 0.00 60.65 59.67 2wkl s ILE 118 Cb 0.00 -0.73 0.02 0.00 0.01 0.00 0.00 42.46 41.76 2wkl s ILE 118 CO 0.00 -0.21 -0.01 -0.63 0.00 0.00 0.00 174.94 174.09 2wkl s ILE 119 N -1.08 0.25 -0.16 2.92 1.01 -0.60 -3.20 121.20 120.34 2wkl s ILE 119 Ca -0.05 0.02 -0.09 0.00 0.00 0.00 0.00 60.65 60.53 2wkl s ILE 119 Cb -0.08 -0.32 -0.05 0.00 0.01 0.00 0.00 42.46 42.02 2wkl s ILE 119 CO 0.01 0.15 0.15 -0.60 0.00 0.00 0.00 174.94 174.65 2wkl s ARG 120 N 0.84 3.90 -0.28 2.79 3.52 -0.51 -1.25 118.95 127.97 2wkl s ARG 120 Ca -0.09 -0.15 0.02 0.00 -0.13 0.00 0.00 55.73 55.39 2wkl s ARG 120 Cb -0.12 -3.33 0.06 0.00 -1.56 0.00 0.00 34.95 30.01 2wkl s ARG 120 CO -0.01 0.49 -0.07 0.08 -0.81 0.00 0.00 175.30 174.98 2wkl s VAL 121 N -0.21 2.32 0.41 7.11 1.01 0.17 -1.24 120.40 129.96 2wkl s VAL 121 Ca 0.12 -1.70 -0.27 0.00 0.00 0.00 0.00 61.98 60.13 2wkl s VAL 121 Cb -0.12 -2.41 -0.10 0.00 0.00 0.00 0.00 36.38 33.75 2wkl s VAL 121 CO 0.01 -0.13 1.42 -2.65 0.00 0.00 0.00 175.10 173.76 2wkl n PRO 122 N 4.44 2.37 -2.78 2.72 -0.02 -1.26 -2.65 135.00 137.81 2wkl n PRO 122 Ca -0.11 0.84 -0.43 0.00 -2.02 0.00 0.00 63.50 61.78 2wkl n PRO 122 Cb 0.42 -2.60 -0.03 0.00 -0.02 0.00 0.00 33.50 31.27 2wkl n PRO 122 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 2wkl s MET 123 N -2.25 3.33 2.66 -0.52 -1.94 0.16 -4.85 119.30 115.90 2wkl s MET 123 Ca 0.58 -1.04 0.00 0.00 -1.71 0.00 0.00 55.69 53.52 2wkl s MET 123 Cb -0.47 -4.59 0.00 0.00 2.01 0.00 0.00 34.83 31.77 2wkl s MET 123 CO 0.60 -1.92 0.00 0.00 -0.01 0.00 0.00 175.02 173.69 2wkl n ALA 124 N 7.85 0.00 -1.89 3.03 0.00 -1.26 -4.30 120.51 123.94 2wkl n ALA 124 Ca 0.11 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.24 2wkl n ALA 124 Cb 0.48 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.95 2wkl n ALA 124 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2wkl s SER 125 N -4.00 6.05 0.00 0.00 1.04 -1.13 -4.95 113.70 110.71 2wkl s SER 125 Ca 0.00 1.33 0.00 0.00 0.48 0.00 0.00 55.95 57.76 2wkl s SER 125 Cb 0.00 -2.33 0.00 0.00 0.10 0.00 0.00 66.02 63.79 2wkl s SER 125 CO 0.00 -0.97 0.00 0.00 0.98 0.00 0.00 173.24 173.25 2wkl h ASP 127 N 0.00 0.00 -0.77 0.00 2.03 -1.95 -2.55 116.42 113.18 2wkl h ASP 127 Ca 0.00 0.00 -0.42 0.00 -0.73 0.00 0.00 57.03 55.88 2wkl h ASP 127 Cb 0.00 0.00 -0.14 0.00 -0.83 0.00 0.00 39.33 38.36 2wkl h ASP 127 CO 0.00 0.25 0.25 0.49 -1.03 0.00 0.00 179.24 179.20 2wkl n PHE 128 N -3.84 1.19 -4.32 4.15 3.01 -1.26 -1.50 117.46 114.89 2wkl n PHE 128 Ca -0.02 -1.85 -0.17 0.00 1.01 0.00 0.00 57.45 56.43 2wkl n PHE 128 Cb 0.34 -1.46 -0.10 0.00 -0.01 0.00 0.00 39.48 38.25 2wkl n PHE 128 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 2wkl s SER 129 N 0.82 2.25 -0.06 4.37 0.01 -0.96 -1.21 113.70 118.92 2wkl s SER 129 Ca 0.61 -1.04 0.18 0.00 1.31 0.00 0.00 55.95 57.01 2wkl s SER 129 Cb 0.36 -0.08 0.62 0.00 0.21 0.00 0.00 66.02 67.12 2wkl s SER 129 CO -0.16 -0.26 1.51 2.30 0.41 0.00 0.00 173.24 177.04 2wkl n ILE 130 N -0.33 1.32 -3.55 1.44 -5.35 -1.26 -2.84 119.36 108.78 2wkl n ILE 130 Ca -0.08 -0.97 -0.06 0.00 -0.27 0.00 0.00 62.75 61.36 2wkl n ILE 130 Cb 0.61 0.22 -0.02 0.00 -1.74 0.00 0.00 39.64 38.71 2wkl n ILE 130 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2wkl s ARG 131 N -1.54 0.58 0.46 6.28 1.70 -1.26 -4.94 118.95 120.23 2wkl s ARG 131 Ca 0.45 -0.22 -0.13 0.00 -0.47 0.00 0.00 55.73 55.36 2wkl s ARG 131 Cb 0.27 0.27 -0.07 0.00 -0.57 0.00 0.00 34.95 34.84 2wkl s ARG 131 CO 0.25 -0.26 0.87 0.95 -1.08 0.00 0.00 175.30 176.03 2wkl s THR 132 N -2.79 4.68 0.00 4.99 -4.23 -1.26 -4.78 115.64 112.25 2wkl s THR 132 Ca 0.07 0.86 0.00 0.00 -1.18 0.00 0.00 61.69 61.44 2wkl s THR 132 Cb -0.01 -3.74 0.00 0.00 1.34 0.00 0.00 72.50 70.09 2wkl s THR 132 CO -0.07 -0.63 0.00 0.00 -0.54 0.00 0.00 174.62 173.39 2wkl n TYR 133 N -1.50 0.00 -3.95 3.99 0.18 -1.26 -5.02 117.16 109.60 2wkl n TYR 133 Ca 0.04 0.00 -0.01 0.00 1.88 0.00 0.00 57.90 59.81 2wkl n TYR 133 Cb 0.54 0.00 -0.00 0.00 -0.38 0.00 0.00 39.34 39.50 2wkl n TYR 133 CO 0.00 0.00 0.00 0.25 -2.08 0.00 0.00 176.86 175.03 2wkl n THR 134 N -0.29 0.00 1.14 -3.48 -2.24 -1.26 -2.83 114.28 105.32 2wkl n THR 134 Ca 0.00 -0.08 0.12 0.00 -2.27 0.00 0.00 64.05 61.82 2wkl n THR 134 Cb 0.00 -0.06 0.36 0.00 -2.10 0.00 0.00 70.33 68.53 2wkl n THR 134 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 2wkl n TYR 135 N -0.12 0.15 -2.87 4.78 0.53 -1.26 -4.55 117.16 113.82 2wkl n TYR 135 Ca -0.01 -0.08 -0.12 0.00 -1.02 0.00 0.00 57.90 56.68 2wkl n TYR 135 Cb 0.02 0.00 0.02 0.00 -1.03 0.00 0.00 39.34 38.35 2wkl n TYR 135 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 2wkl n ALA 136 N 0.62 -0.48 1.09 -0.72 0.00 -1.26 -1.11 120.51 118.64 2wkl n ALA 136 Ca 0.17 -1.87 0.13 0.00 0.00 0.00 0.00 53.44 51.87 2wkl n ALA 136 Cb 0.42 -1.22 0.39 0.00 0.00 0.00 0.00 19.45 19.04 2wkl n ALA 136 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2wkl n ASP 137 N 1.73 0.47 -4.62 0.00 8.00 -1.26 -4.68 116.55 116.19 2wkl n ASP 137 Ca 0.13 -0.23 -0.43 0.00 0.71 0.00 0.00 54.79 54.97 2wkl n ASP 137 Cb 0.60 0.04 -0.02 0.00 -0.02 0.00 0.00 41.12 41.72 2wkl n ASP 137 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2wkl s THR 138 N -2.87 4.08 0.67 -3.53 2.01 -1.26 -4.96 115.64 109.79 2wkl s THR 138 Ca 0.16 1.19 -0.17 0.00 0.31 0.00 0.00 61.69 63.17 2wkl s THR 138 Cb 0.18 -4.21 0.00 0.00 0.01 0.00 0.00 72.50 68.49 2wkl s THR 138 CO 0.61 -0.60 1.26 -2.84 -0.69 0.00 0.00 174.62 172.37 2wkl s PRO 139 N 4.40 2.44 -1.22 4.92 0.02 -1.26 -3.31 135.00 140.99 2wkl s PRO 139 Ca 0.57 1.97 0.00 0.00 0.02 0.00 0.00 61.00 63.55 2wkl s PRO 139 Cb -0.15 -1.84 0.00 0.00 0.02 0.00 0.00 34.50 32.53 2wkl s PRO 139 CO 0.26 -1.66 0.00 -0.25 -0.33 0.00 0.00 177.00 175.03 2wkl n ASP 140 N -2.13 -5.48 -3.74 2.53 9.92 -1.26 -4.88 116.55 111.51 2wkl n ASP 140 Ca 0.15 0.28 -0.42 0.00 -0.53 0.00 0.00 54.79 54.27 2wkl n ASP 140 Cb 0.49 -3.99 -0.00 0.00 -0.64 0.00 0.00 41.12 36.98 2wkl n ASP 140 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 2wkl n ASP 141 N -1.02 4.58 0.24 -2.24 2.03 -1.21 -4.76 116.55 114.17 2wkl n ASP 141 Ca -0.11 -2.91 0.17 0.00 0.52 0.00 0.00 54.79 52.45 2wkl n ASP 141 Cb 0.56 -1.59 0.81 0.00 -0.72 0.00 0.00 41.12 40.17 2wkl n ASP 141 CO 0.00 0.00 0.00 -0.26 -1.92 0.00 0.00 177.20 175.02 2wkl h PHE 142 N 5.84 0.00 -0.24 -0.67 -1.00 -1.91 0.68 116.94 119.64 2wkl h PHE 142 Ca 0.54 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.32 2wkl h PHE 142 Cb 0.61 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.17 2wkl h PHE 142 CO 1.43 0.00 0.00 1.04 -1.61 0.00 0.00 178.31 179.17 2wkl n GLN 143 N -2.72 2.42 -3.72 1.51 1.13 -1.26 -4.71 117.38 110.03 2wkl n GLN 143 Ca -0.01 -2.14 -0.22 0.00 -1.94 0.00 0.00 57.00 52.70 2wkl n GLN 143 Cb 0.15 -1.49 0.03 0.00 0.11 0.00 0.00 30.24 29.04 2wkl n GLN 143 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 2wkl n LEU 144 N 1.43 -3.06 0.10 1.08 4.77 0.23 -4.88 117.00 116.68 2wkl n LEU 144 Ca 0.17 -0.82 -0.01 0.00 -0.03 0.00 0.00 56.01 55.32 2wkl n LEU 144 Cb 0.60 -2.65 0.25 0.00 -2.33 0.00 0.00 43.42 39.29 2wkl n LEU 144 CO 0.15 0.41 0.67 0.45 -1.33 0.00 0.00 177.39 177.75 2wkl h HIS 145 N -1.88 0.25 -0.65 -1.77 3.86 -1.93 -3.19 115.15 109.84 2wkl h HIS 145 Ca -0.61 -0.06 -0.09 0.00 -1.16 0.00 0.00 60.37 58.45 2wkl h HIS 145 Cb 1.36 -0.06 -0.05 0.00 1.06 0.00 0.00 27.41 29.72 2wkl h HIS 145 CO 0.47 0.58 0.11 0.09 0.86 0.00 0.00 177.93 180.04 2wkl n ASN 146 N -4.05 5.40 -4.66 2.45 4.13 -1.26 -4.94 115.26 112.32 2wkl n ASN 146 Ca -0.01 -3.06 -0.42 0.00 1.68 0.00 0.00 54.58 52.76 2wkl n ASN 146 Cb 0.45 -0.71 -0.03 0.00 -1.54 0.00 0.00 39.78 37.95 2wkl n ASN 146 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 2wkl s PHE 147 N -2.87 1.96 0.20 3.10 5.36 -1.21 -4.68 117.98 119.83 2wkl s PHE 147 Ca 0.55 0.16 -0.18 0.00 -0.96 0.00 0.00 56.93 56.50 2wkl s PHE 147 Cb 0.43 -3.94 0.03 0.00 -0.34 0.00 0.00 43.02 39.19 2wkl s PHE 147 CO 0.15 -3.98 0.53 -1.54 -1.46 0.00 0.00 175.22 168.92 2wkl s SER 148 N 3.34 -0.27 -0.20 6.13 1.04 -0.27 -5.03 113.70 118.44 2wkl s SER 148 Ca 0.75 -0.47 -0.21 0.00 0.48 0.00 0.00 55.95 56.50 2wkl s SER 148 Cb -0.35 0.58 -0.03 0.00 0.10 0.00 0.00 66.02 66.33 2wkl s SER 148 CO 0.31 -1.06 0.62 -0.76 0.98 0.00 0.00 173.24 173.33 2wkl s LEU 149 N -2.87 4.14 0.00 2.42 1.43 -1.26 -4.63 118.68 117.91 2wkl s LEU 149 Ca 0.09 0.82 -0.10 0.00 -1.03 0.00 0.00 54.13 53.91 2wkl s LEU 149 Cb -0.01 -2.88 0.15 0.00 0.03 0.00 0.00 46.19 43.48 2wkl s LEU 149 CO -0.03 -0.27 0.57 -0.81 0.23 0.00 0.00 176.35 176.04 2wkl n PRO 150 N 5.04 -1.93 0.23 1.29 -0.04 -1.26 -4.75 135.00 133.59 2wkl n PRO 150 Ca -0.02 -0.90 0.10 0.00 -0.04 0.00 0.00 63.50 62.64 2wkl n PRO 150 Cb 0.50 -0.81 0.53 0.00 -0.04 0.00 0.00 33.50 33.67 2wkl n PRO 150 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2wkl h GLU 151 N 0.00 0.00 -0.39 0.54 5.08 -1.97 -2.08 114.58 115.75 2wkl h GLU 151 Ca -0.21 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.15 2wkl h GLU 151 Cb 0.63 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.86 2wkl h GLU 151 CO 0.14 0.22 0.25 0.93 -1.00 0.00 0.00 179.01 179.55 2wkl h GLU 152 N 0.00 0.52 0.00 2.33 3.07 -1.97 -0.15 114.58 118.37 2wkl h GLU 152 Ca -0.00 -0.03 -0.03 0.00 -0.50 0.00 0.00 59.36 58.79 2wkl h GLU 152 Cb 0.63 -0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 28.42 2wkl h GLU 152 CO 0.03 0.34 -0.31 -0.44 -1.40 0.00 0.00 179.01 177.23 2wkl h ASP 153 N 0.53 0.00 0.97 1.42 3.32 -1.84 -0.70 116.42 120.13 2wkl h ASP 153 Ca 0.14 -0.28 -0.05 0.00 0.02 0.00 0.00 57.03 56.86 2wkl h ASP 153 Cb -0.05 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.49 2wkl h ASP 153 CO -0.03 0.82 -0.25 0.71 -1.72 0.00 0.00 179.24 178.77 2wkl h THR 154 N -1.00 0.58 0.00 0.35 1.35 -1.27 -0.97 112.91 111.96 2wkl h THR 154 Ca -0.05 -1.21 -0.19 0.00 -0.55 0.00 0.00 66.41 64.40 2wkl h THR 154 Cb 0.53 1.82 -0.04 0.00 -1.73 0.00 0.00 68.15 68.73 2wkl h THR 154 CO -0.03 0.24 -1.76 0.29 -0.25 0.00 0.00 175.52 174.02 2wkl n LYS 155 N -3.39 2.10 0.00 4.72 4.01 -0.08 -4.52 118.16 121.00 2wkl n LYS 155 Ca 0.00 -0.01 0.00 0.00 -0.51 0.00 0.00 58.31 57.79 2wkl n LYS 155 Cb 0.45 -1.29 0.00 0.00 -0.51 0.00 0.00 35.03 33.69 2wkl n LYS 155 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 2wkl n LEU 156 N -2.39 0.00 0.44 -0.35 4.77 -1.13 -4.63 117.00 113.71 2wkl n LEU 156 Ca -0.17 0.00 -0.20 0.00 -0.03 0.00 0.00 56.01 55.61 2wkl n LEU 156 Cb 0.84 -0.25 -0.10 0.00 -2.33 0.00 0.00 43.42 41.58 2wkl n LEU 156 CO 0.24 -0.48 0.55 0.11 -1.33 0.00 0.00 177.39 176.47 2wkl h LYS 157 N 0.00 -1.16 -0.14 3.23 1.57 -1.16 -2.95 116.57 115.96 2wkl h LYS 157 Ca 0.00 0.08 0.02 0.00 -1.87 0.00 0.00 60.65 58.88 2wkl h LYS 157 Cb 0.00 0.26 -0.02 0.00 0.08 0.00 0.00 32.23 32.55 2wkl h LYS 157 CO 0.00 -0.77 0.01 0.82 -0.57 0.00 0.00 179.45 178.94 2wkl h ILE 158 N -1.20 0.92 -0.88 1.86 2.04 -1.41 -0.34 117.51 118.50 2wkl h ILE 158 Ca -0.11 -0.02 0.07 0.00 1.00 0.00 0.00 64.86 65.81 2wkl h ILE 158 Cb 0.96 0.85 -0.06 0.00 -0.74 0.00 0.00 36.82 37.83 2wkl h ILE 158 CO 0.12 0.01 0.57 -0.65 0.00 0.00 0.00 178.15 178.20 2wkl h PRO 159 N 0.06 0.92 -0.18 2.37 0.11 -1.77 -0.59 132.00 132.92 2wkl h PRO 159 Ca 0.06 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 66.09 2wkl h PRO 159 Cb 0.07 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 30.97 2wkl h PRO 159 CO -0.10 0.61 0.01 -0.07 -0.21 0.00 0.00 178.00 178.24 2wkl h LEU 160 N 0.94 0.30 -0.44 2.35 3.38 -1.19 -1.55 115.31 119.11 2wkl h LEU 160 Ca 0.39 -0.29 0.07 0.00 0.09 0.00 0.00 57.88 58.13 2wkl h LEU 160 Cb 0.27 -0.08 -0.06 0.00 0.09 0.00 0.00 40.66 40.89 2wkl h LEU 160 CO -0.15 0.51 0.12 0.40 0.09 0.00 0.00 178.44 179.41 2wkl h ILE 161 N 0.08 0.80 -0.72 1.22 2.04 -0.70 0.34 117.51 120.57 2wkl h ILE 161 Ca 0.05 -0.09 0.13 0.00 1.00 0.00 0.00 64.86 65.96 2wkl h ILE 161 Cb 0.35 0.52 -0.09 0.00 -0.74 0.00 0.00 36.82 36.86 2wkl h ILE 161 CO 0.01 0.05 0.26 0.45 0.00 0.00 0.00 178.15 178.92 2wkl h HIS 162 N 0.26 0.44 -0.10 1.37 3.86 -0.81 -0.02 115.15 120.15 2wkl h HIS 162 Ca 0.21 0.04 -0.13 0.00 -1.16 0.00 0.00 60.37 59.33 2wkl h HIS 162 Cb 0.25 -0.09 -0.01 0.00 1.06 0.00 0.00 27.41 28.62 2wkl h HIS 162 CO -0.19 0.04 -0.53 0.00 0.86 0.00 0.00 177.93 178.12 2wkl h ARG 163 N 0.40 0.27 -0.09 2.45 3.08 0.33 -1.68 114.38 119.14 2wkl h ARG 163 Ca 0.39 -0.16 -0.00 0.00 0.07 0.00 0.00 59.98 60.28 2wkl h ARG 163 Cb 0.59 0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.65 2wkl h ARG 163 CO -0.40 0.74 0.05 0.00 -1.07 0.00 0.00 179.97 179.28 2wkl h ALA 164 N 1.23 0.11 -0.80 0.04 0.00 0.71 -2.15 119.26 118.41 2wkl h ALA 164 Ca 0.00 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.89 2wkl h ALA 164 Cb 1.00 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.72 2wkl h ALA 164 CO 0.08 -0.36 0.53 -0.07 0.00 0.00 0.00 179.25 179.43 2wkl h LEU 165 N 0.06 0.90 -1.16 0.00 3.38 -0.65 -0.54 115.31 117.30 2wkl h LEU 165 Ca 0.03 -0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.01 2wkl h LEU 165 Cb 0.06 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 40.54 2wkl h LEU 165 CO -0.01 0.65 0.57 1.56 0.09 0.00 0.00 178.44 181.30 2wkl h GLN 166 N 1.06 1.07 0.00 1.13 4.20 -0.98 -2.67 115.11 118.93 2wkl h GLN 166 Ca 0.30 -0.06 -0.16 0.00 0.06 0.00 0.00 58.65 58.79 2wkl h GLN 166 Cb -0.09 -0.24 -0.02 0.00 0.30 0.00 0.00 27.48 27.42 2wkl h GLN 166 CO -0.08 0.71 -0.80 -0.07 -0.67 0.00 0.00 178.83 177.92 2wkl h LEU 167 N 1.10 0.00 -9.65 1.46 3.38 -0.74 -3.46 115.31 107.39 2wkl h LEU 167 Ca 0.34 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.79 2wkl h LEU 167 Cb 0.01 0.00 0.05 0.00 0.09 0.00 0.00 40.66 40.81 2wkl h LEU 167 CO -0.10 0.73 0.88 0.00 0.09 0.00 0.00 178.44 180.04 2wkl s ALA 168 N -2.84 3.77 0.04 1.53 0.00 -0.27 -4.31 121.76 119.68 2wkl s ALA 168 Ca 0.02 1.41 -0.26 0.00 0.00 0.00 0.00 51.96 53.13 2wkl s ALA 168 Cb 0.09 -3.62 -0.17 0.00 0.00 0.00 0.00 23.12 19.41 2wkl s ALA 168 CO 0.78 -0.81 1.46 -0.56 0.00 0.00 0.00 175.76 176.63 2wkl h GLN 169 N 6.34 -0.33 -6.52 0.00 3.07 -1.83 -3.46 115.11 112.38 2wkl h GLN 169 Ca -0.44 0.02 -0.50 0.00 0.09 0.00 0.00 58.65 57.82 2wkl h GLN 169 Cb 1.21 0.07 0.00 0.00 0.08 0.00 0.00 27.48 28.84 2wkl h GLN 169 CO 0.89 -0.08 -0.15 1.03 0.09 0.00 0.00 178.83 180.61 2wkl s ARG 170 N -5.33 3.57 0.36 0.06 0.52 -1.26 -5.04 118.95 111.83 2wkl s ARG 170 Ca -0.15 -0.11 -0.28 0.00 -0.52 0.00 0.00 55.73 54.67 2wkl s ARG 170 Cb 0.03 -2.64 -0.12 0.00 0.52 0.00 0.00 34.95 32.75 2wkl s ARG 170 CO 0.61 0.17 1.37 -2.30 0.02 0.00 0.00 175.30 175.17 2wkl n PRO 171 N -1.31 2.33 -4.26 3.54 -0.02 -1.26 -4.97 135.00 129.05 2wkl n PRO 171 Ca -0.03 0.82 -0.34 0.00 -2.02 0.00 0.00 63.50 61.93 2wkl n PRO 171 Cb 0.55 -2.47 -0.11 0.00 -0.02 0.00 0.00 33.50 31.45 2wkl n PRO 171 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2wkl s VAL 172 N -1.11 4.22 -0.05 -1.45 1.01 -1.26 -4.83 120.40 116.93 2wkl s VAL 172 Ca 0.55 -0.24 -0.07 0.00 0.00 0.00 0.00 61.98 62.22 2wkl s VAL 172 Cb -0.53 -2.87 -0.04 0.00 0.00 0.00 0.00 36.38 32.94 2wkl s VAL 172 CO 0.63 0.48 0.22 -0.44 0.00 0.00 0.00 175.10 175.99 2wkl s SER 173 N 0.35 6.47 -0.02 3.32 0.01 0.24 -4.95 113.70 119.11 2wkl s SER 173 Ca -0.02 0.53 -0.07 0.00 1.31 0.00 0.00 55.95 57.71 2wkl s SER 173 Cb -0.13 -2.08 -0.05 0.00 0.21 0.00 0.00 66.02 63.97 2wkl s SER 173 CO 0.02 0.32 0.24 -0.76 0.41 0.00 0.00 173.24 173.47 2wkl s LEU 174 N -1.43 4.38 -0.06 2.44 1.43 -1.26 -1.56 118.68 122.62 2wkl s LEU 174 Ca 0.22 0.55 0.01 0.00 -1.03 0.00 0.00 54.13 53.88 2wkl s LEU 174 Cb -0.13 -2.52 0.02 0.00 0.03 0.00 0.00 46.19 43.59 2wkl s LEU 174 CO 0.11 0.30 -0.08 -0.22 0.23 0.00 0.00 176.35 176.69 2wkl s LEU 175 N -1.56 1.42 0.04 1.79 2.96 -0.38 -0.87 118.68 122.08 2wkl s LEU 175 Ca 0.24 -0.22 0.08 0.00 -0.22 0.00 0.00 54.13 54.02 2wkl s LEU 175 Cb -0.13 -0.65 -0.03 0.00 0.50 0.00 0.00 46.19 45.88 2wkl s LEU 175 CO 0.13 -0.03 -0.23 0.00 -1.32 0.00 0.00 176.35 174.91 2wkl s ALA 176 N 0.92 2.39 -0.08 5.97 0.00 -0.85 0.41 121.76 130.52 2wkl s ALA 176 Ca -0.11 -1.22 -0.03 0.00 0.00 0.00 0.00 51.96 50.60 2wkl s ALA 176 Cb -0.15 -0.59 0.04 0.00 0.00 0.00 0.00 23.12 22.42 2wkl s ALA 176 CO 0.01 0.55 0.17 -1.12 0.00 0.00 0.00 175.76 175.36 2wkl s SER 177 N -1.25 0.21 0.18 0.00 0.01 -1.09 -0.78 113.70 110.98 2wkl s SER 177 Ca 0.13 0.35 -0.29 0.00 1.31 0.00 0.00 55.95 57.44 2wkl s SER 177 Cb -0.10 0.27 -0.08 0.00 0.21 0.00 0.00 66.02 66.32 2wkl s SER 177 CO 0.03 -0.19 0.92 -2.16 0.41 0.00 0.00 173.24 172.24 2wkl s PRO 178 N 1.65 4.75 -0.11 12.44 0.04 -1.26 -0.67 135.00 151.84 2wkl s PRO 178 Ca -0.04 1.41 -0.08 0.00 0.04 0.00 0.00 61.00 62.33 2wkl s PRO 178 Cb -0.12 -3.32 -0.03 0.00 0.04 0.00 0.00 34.50 31.08 2wkl s PRO 178 CO -0.06 0.41 -0.15 0.91 0.04 0.00 0.00 177.00 178.14 2wkl n TRP 179 N 2.02 0.65 -4.35 0.56 8.01 -1.26 0.44 117.44 123.50 2wkl n TRP 179 Ca -0.01 0.28 -0.19 0.00 -1.31 0.00 0.00 57.50 56.27 2wkl n TRP 179 Cb 0.48 -0.63 -0.10 0.00 -2.01 0.00 0.00 31.31 29.05 2wkl n TRP 179 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.69 176.60 2wkl s THR 180 N -2.03 1.76 0.49 -0.99 -1.32 -1.26 -2.83 115.64 109.45 2wkl s THR 180 Ca -0.13 -2.21 0.04 0.00 -1.21 0.00 0.00 61.69 58.18 2wkl s THR 180 Cb 0.02 -2.07 0.02 0.00 -1.51 0.00 0.00 72.50 68.95 2wkl s THR 180 CO 0.19 -0.57 0.68 -0.94 -2.21 0.00 0.00 174.62 171.77 2wkl s SER 181 N -3.33 5.47 0.41 8.08 1.04 -1.26 -4.97 113.70 119.14 2wkl s SER 181 Ca 0.23 -0.16 -0.23 0.00 0.48 0.00 0.00 55.95 56.27 2wkl s SER 181 Cb -0.01 -0.84 -0.12 0.00 0.10 0.00 0.00 66.02 65.16 2wkl s SER 181 CO 0.07 -0.95 0.71 -2.65 0.98 0.00 0.00 173.24 171.40 2wkl n PRO 182 N -2.12 0.81 0.07 4.02 -0.02 -1.26 -4.84 135.00 131.66 2wkl n PRO 182 Ca 0.07 0.29 0.13 0.00 -2.02 0.00 0.00 63.50 61.98 2wkl n PRO 182 Cb 0.59 -1.67 0.47 0.00 -0.02 0.00 0.00 33.50 32.87 2wkl n PRO 182 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2wkl n THR 183 N -0.69 0.45 1.06 3.45 -2.24 -1.26 -2.20 114.28 112.85 2wkl n THR 183 Ca 0.11 -0.15 0.03 0.00 -2.27 0.00 0.00 64.05 61.77 2wkl n THR 183 Cb 0.39 -0.62 0.09 0.00 -2.10 0.00 0.00 70.33 68.09 2wkl n THR 183 CO 0.00 0.00 0.00 -2.67 -0.57 0.00 0.00 175.07 171.83 2wkl n TRP 184 N -2.02 0.36 0.15 4.78 4.27 -1.26 -2.58 117.44 121.14 2wkl n TRP 184 Ca 0.06 -0.15 0.06 0.00 -3.89 0.00 0.00 57.50 53.58 2wkl n TRP 184 Cb 0.38 -0.08 0.12 0.00 -1.36 0.00 0.00 31.31 30.37 2wkl n TRP 184 CO 0.00 0.00 0.00 1.28 -2.29 0.00 0.00 177.69 176.68 2wkl n LEU 185 N 0.10 2.59 -4.46 5.67 4.77 -0.93 -4.84 117.00 119.90 2wkl n LEU 185 Ca 0.07 -1.53 -0.30 0.00 -0.03 0.00 0.00 56.01 54.22 2wkl n LEU 185 Cb 0.29 -0.14 -0.12 0.00 -2.33 0.00 0.00 43.42 41.12 2wkl n LEU 185 CO 0.06 0.58 -0.51 -0.54 -1.33 0.00 0.00 177.39 175.66 2wkl s LYS 186 N -1.03 1.81 0.44 3.23 1.02 -1.07 -1.35 119.74 122.80 2wkl s LYS 186 Ca 0.21 -1.14 0.10 0.00 0.02 0.00 0.00 55.97 55.16 2wkl s LYS 186 Cb 0.12 -2.09 0.99 0.00 -0.52 0.00 0.00 37.83 36.33 2wkl s LYS 186 CO 0.17 0.50 2.09 1.79 -0.92 0.00 0.00 175.35 178.97 2wkl h THR 187 N 3.76 1.07 -0.23 2.17 1.35 0.44 -2.64 112.91 118.83 2wkl h THR 187 Ca -0.49 -0.13 0.00 0.00 -0.55 0.00 0.00 66.41 65.24 2wkl h THR 187 Cb 1.16 0.65 0.00 0.00 -1.73 0.00 0.00 68.15 68.24 2wkl h THR 187 CO 0.45 0.07 0.00 -0.46 -0.25 0.00 0.00 175.52 175.33 2wkl n ASN 188 N -4.49 3.02 -2.60 5.36 6.94 -1.26 -4.97 115.26 117.25 2wkl n ASN 188 Ca 0.01 -1.90 -0.12 0.00 -0.02 0.00 0.00 54.58 52.56 2wkl n ASN 188 Cb 0.07 -0.14 -0.00 0.00 -2.36 0.00 0.00 39.78 37.35 2wkl n ASN 188 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2wkl n GLY 189 N 1.21 -0.50 3.25 4.83 0.00 -1.00 -4.96 105.19 108.03 2wkl n GLY 189 Ca 0.15 0.01 -0.20 0.00 0.00 0.00 0.00 46.02 45.98 2wkl n GLY 189 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wkl s ALA 190 N -2.54 1.58 -0.18 4.61 0.00 -1.26 -4.85 121.76 119.13 2wkl s ALA 190 Ca 0.06 -1.24 0.23 0.00 0.00 0.00 0.00 51.96 51.01 2wkl s ALA 190 Cb -0.03 -0.14 0.57 0.00 0.00 0.00 0.00 23.12 23.51 2wkl s ALA 190 CO 0.08 0.21 1.68 -0.39 0.00 0.00 0.00 175.76 177.33 2wkl h VAL 191 N 3.80 0.29 -2.27 0.00 -1.51 -1.92 -3.46 116.25 111.18 2wkl h VAL 191 Ca -0.42 -1.20 0.00 0.00 -1.23 0.00 0.00 66.70 63.85 2wkl h VAL 191 Cb 1.19 1.96 0.00 0.00 -2.13 0.00 0.00 31.29 32.32 2wkl h VAL 191 CO 0.45 0.15 0.00 -0.46 -1.23 0.00 0.00 177.57 176.48 2wkl n ASN 192 N -3.18 1.28 -0.45 4.19 6.94 -1.26 -2.45 115.26 120.33 2wkl n ASN 192 Ca 0.02 0.00 0.05 0.00 -0.02 0.00 0.00 54.58 54.63 2wkl n ASN 192 Cb 0.52 0.00 -0.01 0.00 -2.36 0.00 0.00 39.78 37.93 2wkl n ASN 192 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2wkl n GLY 193 N 3.25 -1.99 3.64 4.83 0.00 0.61 -4.77 105.19 110.76 2wkl n GLY 193 Ca 0.00 -1.36 -0.42 0.00 0.00 0.00 0.00 46.02 44.24 2wkl n GLY 193 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2wkl s LYS 194 N -0.94 4.15 0.00 1.61 2.20 -1.25 -4.72 119.74 120.80 2wkl s LYS 194 Ca 0.00 0.99 0.00 0.00 -0.36 0.00 0.00 55.97 56.60 2wkl s LYS 194 Cb 0.00 -3.67 0.00 0.00 -1.51 0.00 0.00 37.83 32.65 2wkl s LYS 194 CO 0.00 -0.60 0.00 0.41 -0.36 0.00 0.00 175.35 174.80 2wkl n GLY 195 N 3.74 1.79 1.29 5.54 0.00 -0.79 -4.63 105.19 112.13 2wkl n GLY 195 Ca 0.07 -0.38 -0.10 0.00 0.00 0.00 0.00 46.02 45.61 2wkl n GLY 195 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2wkl n SER 196 N 0.00 1.61 -4.67 1.61 3.41 -1.26 -1.11 113.62 113.21 2wkl n SER 196 Ca 0.00 -1.82 -0.40 0.00 -0.26 0.00 0.00 58.87 56.39 2wkl n SER 196 Cb 0.00 0.29 0.02 0.00 -0.26 0.00 0.00 64.21 64.26 2wkl n SER 196 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2wkl n LEU 197 N 0.00 3.82 -4.85 1.04 4.77 -1.26 0.10 117.00 120.62 2wkl n LEU 197 Ca -0.04 1.01 -0.29 0.00 -0.03 0.00 0.00 56.01 56.65 2wkl n LEU 197 Cb 0.23 -1.45 0.13 0.00 -2.33 0.00 0.00 43.42 40.00 2wkl n LEU 197 CO 0.12 -1.10 0.77 -1.59 -1.33 0.00 0.00 177.39 174.26 2wkl s LYS 198 N -2.37 1.25 6.29 3.23 -2.85 -0.46 -4.49 119.74 120.34 2wkl s LYS 198 Ca 0.66 0.08 0.00 0.00 -1.00 0.00 0.00 55.97 55.71 2wkl s LYS 198 Cb -0.49 -1.87 0.00 0.00 -2.06 0.00 0.00 37.83 33.41 2wkl s LYS 198 CO 0.54 -2.08 0.00 0.41 0.10 0.00 0.00 175.35 174.32 2wkl n GLY 199 N -2.86 2.95 3.43 0.59 0.00 -1.26 -4.65 105.19 103.40 2wkl n GLY 199 Ca 0.09 -0.34 -0.14 0.00 0.00 0.00 0.00 46.02 45.62 2wkl n GLY 199 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2wkl s GLN 200 N 0.00 1.10 0.24 1.61 -2.07 -1.26 -5.09 119.66 114.20 2wkl s GLN 200 Ca 0.00 -0.16 -0.27 0.00 -1.82 0.00 0.00 55.36 53.10 2wkl s GLN 200 Cb 0.00 0.51 -0.16 0.00 -1.09 0.00 0.00 33.01 32.27 2wkl s GLN 200 CO 0.00 -0.41 0.63 -2.30 -1.32 0.00 0.00 175.29 171.89 2wkl n PRO 201 N 0.34 0.38 0.00 9.60 -0.02 -1.26 -1.54 135.00 142.51 2wkl n PRO 201 Ca -0.18 0.13 0.00 0.00 -2.02 0.00 0.00 63.50 61.43 2wkl n PRO 201 Cb 0.61 -1.25 0.00 0.00 -0.02 0.00 0.00 33.50 32.84 2wkl n PRO 201 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wkl n GLY 202 N 1.80 3.19 2.98 -1.23 0.00 -1.26 -5.04 105.19 105.63 2wkl n GLY 202 Ca 0.15 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.96 2wkl n GLY 202 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2wkl n ASP 203 N 0.09 0.35 -0.22 1.61 5.68 -0.59 -4.72 116.55 118.76 2wkl n ASP 203 Ca 0.00 -1.51 -0.00 0.00 -0.50 0.00 0.00 54.79 52.77 2wkl n ASP 203 Cb 0.00 -0.70 0.22 0.00 -1.14 0.00 0.00 41.12 39.50 2wkl n ASP 203 CO 0.00 0.00 0.00 -0.29 -1.33 0.00 0.00 177.20 175.58 2wkl h ILE 204 N -1.30 1.20 -0.04 2.12 2.10 -1.96 -0.57 117.51 119.06 2wkl h ILE 204 Ca -0.31 -0.44 -0.01 0.00 1.08 0.00 0.00 64.86 65.18 2wkl h ILE 204 Cb 0.92 0.16 -0.00 0.00 -1.09 0.00 0.00 36.82 36.81 2wkl h ILE 204 CO 0.25 0.21 -0.00 1.88 -1.08 0.00 0.00 178.15 179.40 2wkl h TYR 205 N 1.01 0.08 -0.81 2.19 -1.99 -1.92 -0.49 116.97 115.04 2wkl h TYR 205 Ca 0.27 -0.02 -0.04 0.00 2.00 0.00 0.00 58.73 60.94 2wkl h TYR 205 Cb -0.05 -0.02 -0.04 0.00 2.00 0.00 0.00 36.73 38.62 2wkl h TYR 205 CO 0.00 0.39 0.34 0.45 -0.00 0.00 0.00 178.16 179.35 2wkl h HIS 206 N -0.26 1.23 -0.74 4.88 3.86 -1.77 0.07 115.15 122.41 2wkl h HIS 206 Ca 0.01 -0.09 -0.04 0.00 -1.16 0.00 0.00 60.37 59.09 2wkl h HIS 206 Cb 0.36 -0.37 -0.03 0.00 1.06 0.00 0.00 27.41 28.43 2wkl h HIS 206 CO 0.04 0.92 0.29 1.96 0.86 0.00 0.00 177.93 182.00 2wkl h GLN 207 N 1.18 1.09 0.40 2.45 1.08 -1.03 -0.56 115.11 119.72 2wkl h GLN 207 Ca 0.27 -0.19 -0.02 0.00 -1.45 0.00 0.00 58.65 57.26 2wkl h GLN 207 Cb 0.20 -0.18 0.00 0.00 -0.05 0.00 0.00 27.48 27.45 2wkl h GLN 207 CO -0.02 0.88 -0.19 1.15 -0.95 0.00 0.00 178.83 179.70 2wkl h THR 208 N 1.07 0.59 -0.64 -0.54 2.02 -0.60 -1.29 112.91 113.53 2wkl h THR 208 Ca 0.25 -0.34 0.12 0.00 0.77 0.00 0.00 66.41 67.21 2wkl h THR 208 Cb 0.20 0.75 -0.12 0.00 -1.74 0.00 0.00 68.15 67.24 2wkl h THR 208 CO -0.02 0.06 -0.28 -0.25 0.37 0.00 0.00 175.52 175.40 2wkl h TRP 209 N -0.74 -0.75 -0.07 3.16 -0.00 -0.84 -1.19 115.95 115.52 2wkl h TRP 209 Ca -0.05 0.07 0.03 0.00 -0.00 0.00 0.00 58.89 58.94 2wkl h TRP 209 Cb 0.51 0.42 -0.04 0.00 -0.00 0.00 0.00 29.16 30.06 2wkl h TRP 209 CO -0.00 -0.36 -0.13 0.00 -0.00 0.00 0.00 178.44 177.95 2wkl h ALA 210 N 1.24 -0.08 -0.87 2.65 0.00 -0.99 -1.71 119.26 119.49 2wkl h ALA 210 Ca 0.27 0.03 0.23 0.00 0.00 0.00 0.00 54.91 55.44 2wkl h ALA 210 Cb 0.54 0.25 -0.15 0.00 0.00 0.00 0.00 17.79 18.44 2wkl h ALA 210 CO -0.70 -0.60 0.18 0.00 0.00 0.00 0.00 179.25 178.13 2wkl h ARG 211 N -0.18 0.16 -0.97 0.00 -0.00 -0.44 0.19 114.38 113.14 2wkl h ARG 211 Ca 0.07 -0.01 0.16 0.00 -0.50 0.00 0.00 59.98 59.70 2wkl h ARG 211 Cb 0.28 -0.04 -0.10 0.00 0.00 0.00 0.00 29.97 30.12 2wkl h ARG 211 CO -0.18 0.10 0.58 -0.92 0.00 0.00 0.00 179.97 179.55 2wkl h TYR 212 N 0.16 1.02 -0.54 3.04 3.20 -0.30 0.77 116.97 124.33 2wkl h TYR 212 Ca 0.54 0.03 0.02 0.00 3.14 0.00 0.00 58.73 62.46 2wkl h TYR 212 Cb 1.08 -0.31 -0.03 0.00 1.54 0.00 0.00 36.73 39.01 2wkl h TYR 212 CO -0.31 0.29 0.34 0.74 -1.64 0.00 0.00 178.16 177.57 2wkl h PHE 213 N 0.80 0.64 -0.49 -3.82 -1.00 -0.78 -1.02 116.94 111.27 2wkl h PHE 213 Ca 0.53 0.02 -0.08 0.00 2.81 0.00 0.00 57.97 61.25 2wkl h PHE 213 Cb 0.72 -0.21 -0.02 0.00 3.61 0.00 0.00 35.95 40.05 2wkl h PHE 213 CO -0.02 0.38 0.00 0.28 -1.61 0.00 0.00 178.31 177.34 2wkl h VAL 214 N 0.68 1.26 -0.70 -0.55 2.07 0.02 -1.40 116.25 117.64 2wkl h VAL 214 Ca 0.21 -1.07 0.03 0.00 0.82 0.00 0.00 66.70 66.69 2wkl h VAL 214 Cb -0.02 0.98 -0.04 0.00 -1.52 0.00 0.00 31.29 30.69 2wkl h VAL 214 CO -0.07 0.37 0.46 0.11 0.02 0.00 0.00 177.57 178.46 2wkl h LYS 215 N 0.72 0.84 0.05 1.57 1.79 0.63 0.48 116.57 122.66 2wkl h LYS 215 Ca 0.14 -0.05 -0.00 0.00 -2.18 0.00 0.00 60.65 58.56 2wkl h LYS 215 Cb 0.51 -0.19 0.00 0.00 -1.58 0.00 0.00 32.23 30.97 2wkl h LYS 215 CO 0.02 0.56 -0.02 0.35 -1.08 0.00 0.00 179.45 179.28 2wkl h PHE 216 N 0.87 -0.06 -0.77 -1.35 3.57 -1.02 -0.71 116.94 117.48 2wkl h PHE 216 Ca 0.27 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.82 2wkl h PHE 216 Cb 0.02 0.02 -0.05 0.00 2.79 0.00 0.00 35.95 38.72 2wkl h PHE 216 CO -0.00 0.34 0.47 -0.07 -2.23 0.00 0.00 178.31 176.82 2wkl h LEU 217 N -0.47 0.74 -0.33 0.59 3.38 -0.81 -0.20 115.31 118.20 2wkl h LEU 217 Ca -0.01 0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.02 2wkl h LEU 217 Cb 0.43 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.99 2wkl h LEU 217 CO 0.01 0.49 0.09 0.44 0.09 0.00 0.00 178.44 179.56 2wkl h ASP 218 N 0.88 0.06 0.05 -0.43 3.32 0.03 -1.16 116.42 119.17 2wkl h ASP 218 Ca 0.33 0.05 -0.00 0.00 0.02 0.00 0.00 57.03 57.42 2wkl h ASP 218 Cb 0.12 0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.72 2wkl h ASP 218 CO -0.15 0.07 -0.02 0.00 -1.72 0.00 0.00 179.24 177.42 2wkl h ALA 219 N 1.23 -0.07 -0.55 3.45 0.00 -0.01 -0.50 119.26 122.82 2wkl h ALA 219 Ca 0.15 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.01 2wkl h ALA 219 Cb 0.15 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 2wkl h ALA 219 CO -0.18 -0.46 0.37 1.88 0.00 0.00 0.00 179.25 180.85 2wkl h TYR 220 N -0.21 0.60 -0.70 0.00 -1.99 -1.05 -1.57 116.97 112.05 2wkl h TYR 220 Ca -0.01 0.01 -0.02 0.00 2.00 0.00 0.00 58.73 60.72 2wkl h TYR 220 Cb 0.19 -0.20 -0.03 0.00 2.00 0.00 0.00 36.73 38.68 2wkl h TYR 220 CO -0.03 0.35 0.36 0.00 -0.00 0.00 0.00 178.16 178.85 2wkl h ALA 221 N 1.68 1.32 -0.27 3.88 0.00 -0.18 0.21 119.26 125.90 2wkl h ALA 221 Ca 0.22 -0.12 0.08 0.00 0.00 0.00 0.00 54.91 55.09 2wkl h ALA 221 Cb 0.11 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 2wkl h ALA 221 CO -0.06 0.54 0.25 0.93 0.00 0.00 0.00 179.25 180.91 2wkl h GLU 222 N 0.98 0.00 -0.77 0.00 5.08 -0.08 0.02 114.58 119.80 2wkl h GLU 222 Ca 0.25 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.42 2wkl h GLU 222 Cb 0.06 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 29.19 2wkl h GLU 222 CO -0.04 0.00 0.24 0.72 -1.00 0.00 0.00 179.01 178.93 2wkl n HIS 223 N -4.03 2.30 -3.70 4.33 8.25 -0.00 -4.91 115.22 117.46 2wkl n HIS 223 Ca 0.04 -1.10 -0.24 0.00 -0.26 0.00 0.00 57.72 56.16 2wkl n HIS 223 Cb 0.40 -0.65 0.05 0.00 1.12 0.00 0.00 29.99 30.91 2wkl n HIS 223 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2wkl n LYS 224 N -0.05 -5.95 -4.00 -0.41 4.76 -0.01 -5.01 118.16 107.49 2wkl n LYS 224 Ca 0.37 0.69 -0.24 0.00 -2.87 0.00 0.00 58.31 56.27 2wkl n LYS 224 Cb 1.31 -5.52 -0.17 0.00 -1.84 0.00 0.00 35.03 28.82 2wkl n LYS 224 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2wkl s LEU 225 N -6.91 1.08 -0.00 -0.35 1.43 -0.83 -5.01 118.68 108.09 2wkl s LEU 225 Ca 0.30 -0.19 0.03 0.00 -1.03 0.00 0.00 54.13 53.24 2wkl s LEU 225 Cb -0.14 -0.62 -0.03 0.00 0.03 0.00 0.00 46.19 45.43 2wkl s LEU 225 CO 0.79 -0.11 -0.06 -1.10 0.23 0.00 0.00 176.35 176.10 2wkl s GLN 226 N 1.48 2.59 0.04 1.70 1.11 -1.26 -3.05 119.66 122.27 2wkl s GLN 226 Ca -0.01 -0.70 -0.15 0.00 0.01 0.00 0.00 55.36 54.51 2wkl s GLN 226 Cb -0.13 -2.53 -0.06 0.00 -1.01 0.00 0.00 33.01 29.28 2wkl s GLN 226 CO -0.04 0.61 0.45 -0.06 0.01 0.00 0.00 175.29 176.26 2wkl s PHE 227 N -1.00 3.71 0.08 0.91 0.40 -1.26 -4.43 117.98 116.39 2wkl s PHE 227 Ca 0.17 1.02 -0.16 0.00 -0.60 0.00 0.00 56.93 57.35 2wkl s PHE 227 Cb -0.11 -2.31 -0.12 0.00 0.51 0.00 0.00 43.02 40.99 2wkl s PHE 227 CO 0.07 0.60 1.37 2.35 0.70 0.00 0.00 175.22 180.31 2wkl h TRP 228 N 4.43 0.75 -3.38 0.36 7.01 -1.36 -3.43 115.95 120.32 2wkl h TRP 228 Ca -0.51 -0.25 -0.02 0.00 2.11 0.00 0.00 58.89 60.22 2wkl h TRP 228 Cb 1.21 -0.15 -0.09 0.00 -2.10 0.00 0.00 29.16 28.03 2wkl h TRP 228 CO 0.69 0.98 -0.00 0.00 -2.79 0.00 0.00 178.44 177.32 2wkl s ALA 229 N -4.20 -0.75 0.05 2.65 0.00 -1.09 -1.29 121.76 117.14 2wkl s ALA 229 Ca -0.13 -0.42 0.02 0.00 0.00 0.00 0.00 51.96 51.43 2wkl s ALA 229 Cb 0.07 0.90 -0.03 0.00 0.00 0.00 0.00 23.12 24.07 2wkl s ALA 229 CO 0.82 -0.83 -0.07 0.14 0.00 0.00 0.00 175.76 175.81 2wkl s VAL 230 N -3.92 0.54 0.15 0.00 -7.23 0.03 -2.00 120.40 107.97 2wkl s VAL 230 Ca 0.13 -1.31 0.01 0.00 -1.81 0.00 0.00 61.98 59.00 2wkl s VAL 230 Cb -0.01 -0.89 -0.04 0.00 0.56 0.00 0.00 36.38 36.00 2wkl s VAL 230 CO 0.01 -0.54 0.30 0.42 -0.31 0.00 0.00 175.10 174.99 2wkl s THR 231 N -2.04 5.30 0.22 5.32 -4.23 0.04 -1.31 115.64 118.93 2wkl s THR 231 Ca -0.04 -0.51 0.28 0.00 -1.18 0.00 0.00 61.69 60.24 2wkl s THR 231 Cb -0.06 -3.71 0.29 0.00 1.34 0.00 0.00 72.50 70.37 2wkl s THR 231 CO -0.01 -0.06 1.95 0.00 -0.54 0.00 0.00 174.62 175.95 2wkl h ALA 232 N 2.31 1.08 0.00 3.99 0.00 -1.72 -3.41 119.26 121.51 2wkl h ALA 232 Ca -0.48 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.31 2wkl h ALA 232 Cb 1.19 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.95 2wkl h ALA 232 CO 0.70 0.17 0.00 -1.91 0.00 0.00 0.00 179.25 178.21 2wkl n GLU 233 N -3.37 0.00 -2.11 0.00 4.07 -1.26 -4.93 120.64 113.03 2wkl n GLU 233 Ca -0.00 0.00 -0.42 0.00 -0.06 0.00 0.00 57.16 56.67 2wkl n GLU 233 Cb 0.34 0.00 -0.03 0.00 -0.06 0.00 0.00 31.44 31.69 2wkl n GLU 233 CO 0.00 0.00 0.00 1.21 -0.06 0.00 0.00 177.13 178.28 2wkl s ASN 234 N 0.00 6.76 -0.95 4.31 2.47 0.17 -3.99 114.94 123.71 2wkl s ASN 234 Ca 0.00 2.25 -0.11 0.00 0.42 0.00 0.00 52.86 55.42 2wkl s ASN 234 Cb 0.00 -2.56 0.01 0.00 -1.45 0.00 0.00 41.25 37.24 2wkl s ASN 234 CO 0.00 -0.78 0.68 -0.62 -3.72 0.00 0.00 177.10 172.65 2wkl n GLU 235 N 5.45 -1.20 0.12 0.43 1.02 0.02 -4.75 120.64 121.74 2wkl n GLU 235 Ca 0.14 0.69 0.16 0.00 -0.02 0.00 0.00 57.16 58.13 2wkl n GLU 235 Cb 0.42 -3.28 0.72 0.00 -0.02 0.00 0.00 31.44 29.29 2wkl n GLU 235 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 2wkl h PRO 236 N -0.94 0.00 0.05 3.49 0.13 -1.75 -2.68 132.00 130.30 2wkl h PRO 236 Ca -0.56 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.34 2wkl h PRO 236 Cb 1.33 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.45 2wkl h PRO 236 CO 0.41 0.00 -1.07 0.66 -0.23 0.00 0.00 178.00 177.77 2wkl h SER 237 N 0.00 0.20 -0.93 1.44 4.64 -1.85 -1.73 113.55 115.32 2wkl h SER 237 Ca 0.14 -0.21 0.23 0.00 -0.47 0.00 0.00 61.79 61.49 2wkl h SER 237 Cb 0.62 -0.07 -0.06 0.00 -0.31 0.00 0.00 62.40 62.58 2wkl h SER 237 CO -0.00 1.13 0.63 0.00 -0.87 0.00 0.00 176.83 177.72 2wkl h ALA 238 N 0.84 2.42 0.00 5.18 0.00 -1.83 -0.04 119.26 125.83 2wkl h ALA 238 Ca -0.06 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2wkl h ALA 238 Cb 1.80 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.60 2wkl h ALA 238 CO 0.16 -0.72 0.00 0.41 0.00 0.00 0.00 179.25 179.10 2wkl n GLY 239 N -1.57 -0.95 0.68 0.00 0.00 -1.19 -1.41 105.19 100.75 2wkl n GLY 239 Ca 0.20 -0.14 0.12 0.00 0.00 0.00 0.00 46.02 46.20 2wkl n GLY 239 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2wkl n LEU 240 N -0.87 2.31 -4.46 0.99 4.77 -0.03 -1.89 117.00 117.82 2wkl n LEU 240 Ca 0.17 -0.79 -0.43 0.00 -0.03 0.00 0.00 56.01 54.93 2wkl n LEU 240 Cb 0.08 -0.01 -0.09 0.00 -2.33 0.00 0.00 43.42 41.07 2wkl n LEU 240 CO 0.13 0.40 0.07 -0.76 -1.33 0.00 0.00 177.39 175.90 2wkl s LEU 241 N -2.21 5.02 -0.13 2.23 1.02 -0.50 -4.95 118.68 119.16 2wkl s LEU 241 Ca 0.26 -0.82 -0.38 0.00 0.02 0.00 0.00 54.13 53.20 2wkl s LEU 241 Cb 0.19 -2.31 -0.15 0.00 0.02 0.00 0.00 46.19 43.94 2wkl s LEU 241 CO 0.42 -0.57 1.64 -0.24 0.02 0.00 0.00 176.35 177.61 2wkl n SER 242 N 5.48 2.33 0.00 2.29 2.88 -1.26 -1.92 113.62 123.42 2wkl n SER 242 Ca -0.09 1.08 0.00 0.00 -1.33 0.00 0.00 58.87 58.53 2wkl n SER 242 Cb 0.47 -1.19 0.00 0.00 -0.75 0.00 0.00 64.21 62.73 2wkl n SER 242 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2wkl n GLY 243 N 3.70 0.70 3.56 0.46 0.00 -1.26 -4.90 105.19 107.45 2wkl n GLY 243 Ca 0.23 0.00 -0.62 0.00 0.00 0.00 0.00 46.02 45.63 2wkl n GLY 243 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2wkl n TYR 244 N -2.00 1.12 0.08 1.61 9.36 -0.81 -4.67 117.16 121.86 2wkl n TYR 244 Ca 0.00 1.08 0.08 0.00 3.32 0.00 0.00 57.90 62.38 2wkl n TYR 244 Cb 0.00 -2.12 -0.02 0.00 -0.63 0.00 0.00 39.34 36.57 2wkl n TYR 244 CO 0.00 0.00 0.00 -1.00 0.22 0.00 0.00 176.86 176.08 2wkl h PRO 245 N 3.82 0.00 -6.76 2.98 0.13 -1.95 0.17 132.00 130.40 2wkl h PRO 245 Ca -0.47 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.16 2wkl h PRO 245 Cb 1.38 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.50 2wkl h PRO 245 CO 0.78 0.10 0.10 -0.06 -0.23 0.00 0.00 178.00 178.69 2wkl s PHE 246 N -3.21 3.41 0.16 1.56 2.99 -1.26 -4.80 117.98 116.83 2wkl s PHE 246 Ca -0.01 1.13 -0.33 0.00 0.00 0.00 0.00 56.93 57.73 2wkl s PHE 246 Cb 0.09 -2.49 -0.16 0.00 0.00 0.00 0.00 43.02 40.46 2wkl s PHE 246 CO 0.79 0.02 1.02 1.04 -0.00 0.00 0.00 175.22 178.10 2wkl n GLN 247 N -0.73 0.80 -3.84 0.44 3.00 -1.26 -4.44 117.38 111.35 2wkl n GLN 247 Ca 0.03 0.29 -0.10 0.00 -0.01 0.00 0.00 57.00 57.21 2wkl n GLN 247 Cb 0.53 -1.69 0.02 0.00 0.00 0.00 0.00 30.24 29.11 2wkl n GLN 247 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2wkl s LEU 249 N -3.11 -1.36 0.28 0.00 2.96 -1.13 -4.22 118.68 112.10 2wkl s LEU 249 Ca 0.18 0.83 -0.29 0.00 -0.22 0.00 0.00 54.13 54.63 2wkl s LEU 249 Cb -0.04 2.14 -0.09 0.00 0.50 0.00 0.00 46.19 48.69 2wkl s LEU 249 CO 0.13 -0.26 1.00 -0.83 -1.32 0.00 0.00 176.35 175.07 2wkl s GLY 250 N 2.86 3.02 -0.07 7.98 0.00 -0.27 -4.49 107.32 116.36 2wkl s GLY 250 Ca 0.20 0.69 -0.04 0.00 0.00 0.00 0.00 44.72 45.56 2wkl s GLY 250 CO -0.21 1.24 0.17 -1.36 0.00 0.00 0.00 173.10 172.93 2wkl s PHE 251 N -1.29 -0.19 0.67 1.90 0.40 -0.66 -4.46 117.98 114.36 2wkl s PHE 251 Ca 0.45 0.49 -0.11 0.00 -0.60 0.00 0.00 56.93 57.16 2wkl s PHE 251 Cb -0.26 0.01 -0.01 0.00 0.51 0.00 0.00 43.02 43.27 2wkl s PHE 251 CO 0.33 -0.13 1.05 0.95 0.70 0.00 0.00 175.22 178.12 2wkl s THR 252 N 0.63 4.20 0.33 0.64 -4.23 -1.26 -4.33 115.64 111.62 2wkl s THR 252 Ca -0.05 0.71 0.07 0.00 -1.18 0.00 0.00 61.69 61.25 2wkl s THR 252 Cb -0.06 -3.61 0.31 0.00 1.34 0.00 0.00 72.50 70.48 2wkl s THR 252 CO -0.03 -0.93 1.84 1.55 -0.54 0.00 0.00 174.62 176.51 2wkl h PRO 253 N -0.55 0.75 -0.59 3.99 0.13 -1.98 0.90 132.00 134.64 2wkl h PRO 253 Ca -0.44 -0.04 -0.04 0.00 -0.87 0.00 0.00 66.00 64.60 2wkl h PRO 253 Cb 1.21 -0.17 -0.03 0.00 0.13 0.00 0.00 31.00 32.15 2wkl h PRO 253 CO 0.60 0.49 0.20 0.93 -0.23 0.00 0.00 178.00 180.00 2wkl h GLU 254 N 0.77 0.91 -0.74 0.86 3.07 -1.93 0.14 114.58 117.66 2wkl h GLU 254 Ca 0.49 -0.19 -0.04 0.00 -0.50 0.00 0.00 59.36 59.12 2wkl h GLU 254 Cb 0.72 -0.14 -0.03 0.00 -0.84 0.00 0.00 28.75 28.46 2wkl h GLU 254 CO -0.25 0.80 0.30 1.25 -1.40 0.00 0.00 179.01 179.71 2wkl h HIS 255 N 0.83 1.11 -0.43 4.33 2.76 -1.36 -1.91 115.15 120.48 2wkl h HIS 255 Ca 0.19 -0.08 -0.15 0.00 -2.20 0.00 0.00 60.37 58.14 2wkl h HIS 255 Cb 0.26 -0.34 -0.01 0.00 1.55 0.00 0.00 27.41 28.87 2wkl h HIS 255 CO 0.02 0.84 -0.31 0.37 -1.30 0.00 0.00 177.93 177.55 2wkl h GLN 256 N 1.07 0.97 -0.84 5.26 4.15 -0.33 -0.03 115.11 125.36 2wkl h GLN 256 Ca 0.25 -0.47 0.09 0.00 0.77 0.00 0.00 58.65 59.29 2wkl h GLN 256 Cb 0.20 -0.01 -0.07 0.00 0.21 0.00 0.00 27.48 27.81 2wkl h GLN 256 CO -0.02 1.13 0.49 -0.09 -1.93 0.00 0.00 178.83 178.42 2wkl h ARG 257 N 0.81 0.82 0.11 1.69 2.43 -0.62 -0.05 114.38 119.58 2wkl h ARG 257 Ca 0.08 -0.05 -0.28 0.00 -0.81 0.00 0.00 59.98 58.92 2wkl h ARG 257 Cb 0.90 -0.18 -0.00 0.00 -0.42 0.00 0.00 29.97 30.26 2wkl h ARG 257 CO 0.08 0.54 -1.35 -0.44 -1.51 0.00 0.00 179.97 177.30 2wkl h ASP 258 N 0.84 0.38 -0.50 -3.80 3.32 -1.13 -2.76 116.42 112.78 2wkl h ASP 258 Ca 0.40 -0.45 -0.00 0.00 0.02 0.00 0.00 57.03 57.00 2wkl h ASP 258 Cb 0.32 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.73 2wkl h ASP 258 CO -0.23 1.36 0.31 0.15 -1.72 0.00 0.00 179.24 179.11 2wkl h PHE 259 N 0.07 0.65 0.00 4.55 3.57 -0.65 -1.97 116.94 123.16 2wkl h PHE 259 Ca -0.17 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.33 2wkl h PHE 259 Cb 1.98 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 40.50 2wkl h PHE 259 CO 0.06 0.45 -0.00 0.82 -2.23 0.00 0.00 178.31 177.40 2wkl h ILE 260 N 0.67 1.08 -0.27 1.41 2.04 -1.07 -0.32 117.51 121.03 2wkl h ILE 260 Ca 0.18 -0.23 0.04 0.00 1.00 0.00 0.00 64.86 65.85 2wkl h ILE 260 Cb -0.02 1.23 -0.04 0.00 -0.74 0.00 0.00 36.82 37.25 2wkl h ILE 260 CO -0.03 0.06 0.01 0.00 0.00 0.00 0.00 178.15 178.19 2wkl h ALA 261 N 0.89 0.25 0.03 1.87 0.00 -1.29 0.17 119.26 121.19 2wkl h ALA 261 Ca -0.00 0.07 -0.34 0.00 0.00 0.00 0.00 54.91 54.64 2wkl h ALA 261 Cb 0.10 0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.96 2wkl h ALA 261 CO 0.00 -0.40 -2.05 0.54 0.00 0.00 0.00 179.25 177.34 2wkl n ARG 262 N -5.14 0.68 0.01 0.00 1.74 -0.76 -4.39 116.66 108.81 2wkl n ARG 262 Ca -0.01 0.20 -0.02 0.00 -0.77 0.00 0.00 57.85 57.26 2wkl n ARG 262 Cb 0.14 -1.67 -0.01 0.00 -1.02 0.00 0.00 32.46 29.90 2wkl n ARG 262 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 2wkl n ASP 263 N -3.13 0.95 -0.08 0.55 8.00 -0.68 -4.62 116.55 117.54 2wkl n ASP 263 Ca -0.29 0.13 -0.10 0.00 0.71 0.00 0.00 54.79 55.25 2wkl n ASP 263 Cb 1.07 -0.35 0.05 0.00 -0.02 0.00 0.00 41.12 41.86 2wkl n ASP 263 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 2wkl h LEU 264 N -0.18 0.82 0.31 0.64 5.85 -1.08 -0.98 115.31 120.68 2wkl h LEU 264 Ca 0.00 -0.34 -0.02 0.00 0.84 0.00 0.00 57.88 58.36 2wkl h LEU 264 Cb 0.18 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 40.99 2wkl h LEU 264 CO 0.00 1.08 -0.15 1.23 -0.34 0.00 0.00 178.44 180.26 2wkl h GLY 265 N 0.93 -0.43 -0.07 3.75 0.00 -0.87 -2.54 103.07 103.83 2wkl h GLY 265 Ca 0.07 0.16 0.13 0.00 0.00 0.00 0.00 47.33 47.69 2wkl h GLY 265 CO 0.08 -0.16 -0.02 -2.55 0.00 0.00 0.00 176.54 173.89 2wkl h PRO 266 N -0.65 0.10 -0.47 4.80 0.11 -1.72 0.14 132.00 134.31 2wkl h PRO 266 Ca -0.04 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.05 2wkl h PRO 266 Cb 0.32 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 31.38 2wkl h PRO 266 CO 0.07 0.07 0.26 1.15 -0.21 0.00 0.00 178.00 179.34 2wkl h THR 267 N 0.10 1.16 -0.46 -1.15 2.02 -1.27 0.23 112.91 113.55 2wkl h THR 267 Ca 0.32 -0.41 -0.07 0.00 0.77 0.00 0.00 66.41 67.02 2wkl h THR 267 Cb 0.51 0.58 -0.02 0.00 -1.74 0.00 0.00 68.15 67.48 2wkl h THR 267 CO -0.53 0.17 0.02 -0.07 0.37 0.00 0.00 175.52 175.48 2wkl h LEU 268 N 0.62 0.78 -0.90 2.58 3.38 -0.97 -3.10 115.31 117.70 2wkl h LEU 268 Ca 0.17 -0.29 -0.03 0.00 0.09 0.00 0.00 57.88 57.81 2wkl h LEU 268 Cb 0.04 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.54 2wkl h LEU 268 CO -0.03 0.88 0.41 0.00 0.09 0.00 0.00 178.44 179.79 2wkl h ALA 269 N 0.93 1.14 0.00 1.53 0.00 -0.48 -2.21 119.26 120.16 2wkl h ALA 269 Ca 0.13 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2wkl h ALA 269 Cb 0.47 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2wkl h ALA 269 CO 0.02 0.65 0.00 -1.71 0.00 0.00 0.00 179.25 178.21 2wkl n ASN 270 N -4.31 2.65 -4.33 0.00 5.15 0.76 -4.62 115.26 110.56 2wkl n ASN 270 Ca 0.08 -1.87 -0.17 0.00 -0.60 0.00 0.00 54.58 52.02 2wkl n ASN 270 Cb 0.14 -0.47 -0.10 0.00 -0.53 0.00 0.00 39.78 38.82 2wkl n ASN 270 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 2wkl s SER 271 N 0.91 2.00 0.00 1.20 1.04 -0.84 -4.99 113.70 113.02 2wkl s SER 271 Ca 0.00 -1.18 0.12 0.00 0.48 0.00 0.00 55.95 55.38 2wkl s SER 271 Cb 0.00 -0.03 0.69 0.00 0.10 0.00 0.00 66.02 66.79 2wkl s SER 271 CO 0.00 -0.44 1.20 0.35 0.98 0.00 0.00 173.24 175.32 2wkl n THR 272 N -0.41 0.20 -1.33 2.02 -2.24 -1.26 -1.81 114.28 109.46 2wkl n THR 272 Ca -0.06 0.05 -0.12 0.00 -2.27 0.00 0.00 64.05 61.65 2wkl n THR 272 Cb 0.63 -0.86 0.20 0.00 -2.10 0.00 0.00 70.33 68.20 2wkl n THR 272 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2wkl n HIS 273 N -1.08 1.94 0.29 4.78 8.25 -1.26 -4.72 115.22 123.43 2wkl n HIS 273 Ca 0.08 -1.65 0.16 0.00 -0.26 0.00 0.00 57.72 56.05 2wkl n HIS 273 Cb 0.06 -0.68 0.91 0.00 1.12 0.00 0.00 29.99 31.40 2wkl n HIS 273 CO 0.00 0.00 0.00 1.12 0.64 0.00 0.00 176.34 178.10 2wkl h HIS 274 N 1.14 0.00 -0.01 4.41 -0.00 -1.37 -2.30 115.15 117.03 2wkl h HIS 274 Ca 0.38 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.75 2wkl h HIS 274 Cb 2.17 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 29.58 2wkl h HIS 274 CO 1.25 0.04 -0.10 0.09 -0.00 0.00 0.00 177.93 179.22 2wkl n ASN 275 N -3.56 0.69 -4.73 3.10 3.02 -1.26 -4.82 115.26 107.71 2wkl n ASN 275 Ca -0.02 -0.85 -0.42 0.00 -0.03 0.00 0.00 54.58 53.26 2wkl n ASN 275 Cb 0.15 -0.02 -0.03 0.00 -0.61 0.00 0.00 39.78 39.27 2wkl n ASN 275 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2wkl s VAL 276 N -2.33 3.01 0.49 2.41 1.01 -0.87 -4.95 120.40 119.17 2wkl s VAL 276 Ca 0.32 0.78 -0.20 0.00 0.00 0.00 0.00 61.98 62.89 2wkl s VAL 276 Cb 0.20 -3.50 -0.08 0.00 0.00 0.00 0.00 36.38 33.00 2wkl s VAL 276 CO 0.44 0.09 1.02 -0.13 0.00 0.00 0.00 175.10 176.53 2wkl s ARG 277 N 0.38 3.84 -0.16 2.72 1.81 -0.41 -4.90 118.95 122.23 2wkl s ARG 277 Ca 0.62 1.29 -0.01 0.00 -1.72 0.00 0.00 55.73 55.92 2wkl s ARG 277 Cb -0.39 -2.10 -0.01 0.00 -0.45 0.00 0.00 34.95 32.00 2wkl s ARG 277 CO 0.36 -0.39 -0.13 -1.17 -0.68 0.00 0.00 175.30 173.29 2wkl s LEU 278 N -3.54 2.61 -0.02 2.53 2.96 -1.26 -0.79 118.68 121.18 2wkl s LEU 278 Ca 0.66 -0.42 0.00 0.00 -0.22 0.00 0.00 54.13 54.15 2wkl s LEU 278 Cb -0.15 -1.61 -0.04 0.00 0.50 0.00 0.00 46.19 44.90 2wkl s LEU 278 CO 0.20 0.09 0.02 -0.76 -1.32 0.00 0.00 176.35 174.59 2wkl s LEU 279 N 0.80 3.65 0.53 -0.68 1.43 -0.43 -0.76 118.68 123.22 2wkl s LEU 279 Ca -0.05 0.08 0.06 0.00 -1.03 0.00 0.00 54.13 53.19 2wkl s LEU 279 Cb -0.15 -2.04 0.04 0.00 0.03 0.00 0.00 46.19 44.07 2wkl s LEU 279 CO 0.01 0.30 0.44 0.00 0.23 0.00 0.00 176.35 177.33 2wkl s MET 280 N -1.44 2.29 0.62 1.70 0.23 -0.26 -1.89 119.30 120.55 2wkl s MET 280 Ca 0.19 -1.92 0.00 0.00 -1.03 0.00 0.00 55.69 52.93 2wkl s MET 280 Cb -0.12 -2.19 0.00 0.00 -1.53 0.00 0.00 34.83 31.00 2wkl s MET 280 CO 0.09 -0.59 0.00 -0.11 -2.03 0.00 0.00 175.02 172.38 2wkl n LEU 281 N -1.78 0.00 -3.71 0.18 7.94 -1.26 -0.92 117.00 117.44 2wkl n LEU 281 Ca 0.01 0.00 -0.26 0.00 -1.11 0.00 0.00 56.01 54.65 2wkl n LEU 281 Cb 0.64 0.00 0.03 0.00 0.53 0.00 0.00 43.42 44.62 2wkl n LEU 281 CO 0.40 0.00 -0.10 -0.67 -1.11 0.00 0.00 177.39 175.91 2wkl n ASP 282 N 3.52 -3.04 -3.08 1.96 2.03 0.57 -4.28 116.55 114.23 2wkl n ASP 282 Ca 0.00 -0.93 -0.11 0.00 0.52 0.00 0.00 54.79 54.27 2wkl n ASP 282 Cb 0.00 -3.66 -0.00 0.00 -0.72 0.00 0.00 41.12 36.73 2wkl n ASP 282 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2wkl s ASP 283 N -3.94 0.34 0.44 1.67 -1.08 -1.09 -0.80 116.67 112.21 2wkl s ASP 283 Ca 0.22 -1.26 -0.25 0.00 -0.52 0.00 0.00 52.55 50.75 2wkl s ASP 283 Cb -0.07 0.78 -0.09 0.00 -1.46 0.00 0.00 42.92 42.08 2wkl s ASP 283 CO 0.84 -1.53 1.37 0.00 0.52 0.00 0.00 175.17 176.36 2wkl n GLN 284 N -0.54 2.12 0.25 4.34 1.13 -1.26 -1.20 117.38 122.22 2wkl n GLN 284 Ca -0.05 0.75 0.17 0.00 -1.94 0.00 0.00 57.00 55.94 2wkl n GLN 284 Cb 0.60 -2.53 0.85 0.00 0.11 0.00 0.00 30.24 29.28 2wkl n GLN 284 CO 0.00 0.00 0.00 0.07 -1.44 0.00 0.00 177.06 175.69 2wkl h ARG 285 N 2.20 0.00 0.00 -1.09 0.11 -1.87 -2.52 114.38 111.22 2wkl h ARG 285 Ca -0.50 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.58 2wkl h ARG 285 Cb 1.28 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.36 2wkl h ARG 285 CO 0.60 0.00 0.00 1.47 0.10 0.00 0.00 179.97 182.14 2wkl n LEU 286 N -2.74 0.64 0.00 0.08 -0.00 -1.26 0.42 117.00 114.13 2wkl n LEU 286 Ca -0.01 0.70 0.11 0.00 -0.00 0.00 0.00 56.01 56.81 2wkl n LEU 286 Cb 0.12 -0.67 0.67 0.00 -0.00 0.00 0.00 43.42 43.54 2wkl n LEU 286 CO 0.18 -0.70 0.86 0.18 -0.00 0.00 0.00 177.39 177.91 2wkl n LEU 287 N -2.25 0.00 -4.73 1.47 4.77 -0.95 -4.78 117.00 110.53 2wkl n LEU 287 Ca 0.01 0.00 -0.33 0.00 -0.03 0.00 0.00 56.01 55.66 2wkl n LEU 287 Cb 0.16 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.17 2wkl n LEU 287 CO 0.16 0.00 -0.29 -0.76 -1.33 0.00 0.00 177.39 175.18 2wkl s LEU 288 N -1.96 3.70 0.00 2.23 1.43 0.17 -0.94 118.68 123.30 2wkl s LEU 288 Ca 0.34 0.07 0.24 0.00 -1.03 0.00 0.00 54.13 53.75 2wkl s LEU 288 Cb 0.15 -2.13 1.03 0.00 0.03 0.00 0.00 46.19 45.27 2wkl s LEU 288 CO 0.26 0.28 1.71 -0.81 0.23 0.00 0.00 176.35 178.02 2wkl n PRO 289 N 1.30 1.52 -0.02 1.29 -0.04 -1.26 -4.58 135.00 133.22 2wkl n PRO 289 Ca -0.14 -0.77 -0.10 0.00 -0.04 0.00 0.00 63.50 62.45 2wkl n PRO 289 Cb 0.53 -1.42 -0.03 0.00 -0.04 0.00 0.00 33.50 32.53 2wkl n PRO 289 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 2wkl h HIS 290 N 1.69 -0.84 -0.98 0.54 2.76 -1.86 -1.38 115.15 115.09 2wkl h HIS 290 Ca 0.00 0.04 0.10 0.00 -2.20 0.00 0.00 60.37 58.31 2wkl h HIS 290 Cb 0.37 0.39 -0.08 0.00 1.55 0.00 0.00 27.41 29.64 2wkl h HIS 290 CO 0.04 -0.38 0.62 -1.49 -1.30 0.00 0.00 177.93 175.43 2wkl h TRP 291 N -0.35 1.11 -0.11 5.26 4.06 -1.41 0.05 115.95 124.56 2wkl h TRP 291 Ca 0.11 0.03 -0.09 0.00 2.06 0.00 0.00 58.89 61.00 2wkl h TRP 291 Cb 0.53 -0.36 -0.01 0.00 -1.00 0.00 0.00 29.16 28.32 2wkl h TRP 291 CO -0.41 0.49 -0.34 0.00 -3.56 0.00 0.00 178.44 174.61 2wkl h ALA 292 N 1.53 1.22 -0.14 1.49 0.00 -1.56 -1.62 119.26 120.17 2wkl h ALA 292 Ca 0.46 -0.36 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 2wkl h ALA 292 Cb 0.41 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 2wkl h ALA 292 CO -0.22 0.53 -0.12 0.87 0.00 0.00 0.00 179.25 180.30 2wkl h LYS 293 N 0.19 0.34 -0.34 0.00 1.57 0.03 0.27 116.57 118.62 2wkl h LYS 293 Ca 0.02 -0.17 -0.02 0.00 -1.87 0.00 0.00 60.65 58.61 2wkl h LYS 293 Cb 0.70 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.00 2wkl h LYS 293 CO 0.05 0.71 0.12 0.28 -0.57 0.00 0.00 179.45 180.04 2wkl h VAL 294 N -0.03 1.20 0.17 0.50 2.07 -1.32 -2.11 116.25 116.72 2wkl h VAL 294 Ca 0.03 -0.63 -0.26 0.00 0.82 0.00 0.00 66.70 66.66 2wkl h VAL 294 Cb 0.64 0.98 0.03 0.00 -1.52 0.00 0.00 31.29 31.42 2wkl h VAL 294 CO 0.03 0.22 -1.11 0.58 0.02 0.00 0.00 177.57 177.31 2wkl h VAL 295 N 0.39 1.39 0.00 2.57 2.07 -1.31 -3.38 116.25 117.98 2wkl h VAL 295 Ca 0.11 -2.54 0.00 0.00 0.82 0.00 0.00 66.70 65.09 2wkl h VAL 295 Cb 0.22 3.01 0.00 0.00 -1.52 0.00 0.00 31.29 33.01 2wkl h VAL 295 CO -0.01 0.75 -0.60 -0.07 0.02 0.00 0.00 177.57 177.66 2wkl h LEU 296 N -0.06 0.00 -0.31 2.57 3.38 -0.98 -3.26 115.31 116.66 2wkl h LEU 296 Ca -0.19 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.70 2wkl h LEU 296 Cb 1.85 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.60 2wkl h LEU 296 CO 0.21 0.04 0.00 0.35 0.09 0.00 0.00 178.44 179.13 2wkl n THR 297 N -2.51 0.07 -3.66 0.22 -2.24 -0.79 -4.56 114.28 100.81 2wkl n THR 297 Ca 0.02 -0.10 -0.39 0.00 -2.27 0.00 0.00 64.05 61.31 2wkl n THR 297 Cb 0.50 -0.07 -0.11 0.00 -2.10 0.00 0.00 70.33 68.55 2wkl n THR 297 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2wkl s ASP 298 N -1.44 5.53 0.62 3.42 -1.08 -1.23 -4.98 116.67 117.51 2wkl s ASP 298 Ca 0.24 -1.33 0.33 0.00 -0.52 0.00 0.00 52.55 51.27 2wkl s ASP 298 Cb 0.11 -1.95 1.93 0.00 -1.46 0.00 0.00 42.92 41.56 2wkl s ASP 298 CO 0.18 -0.45 2.23 1.55 0.52 0.00 0.00 175.17 179.21 2wkl h PRO 299 N 8.33 0.00 0.00 4.34 0.13 -1.88 0.07 132.00 142.99 2wkl h PRO 299 Ca -0.23 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.85 2wkl h PRO 299 Cb 1.08 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.21 2wkl h PRO 299 CO 0.69 0.00 -0.22 0.93 -0.23 0.00 0.00 178.00 179.17 2wkl h GLU 300 N 0.00 0.00 0.00 0.86 4.39 -1.93 -2.76 114.58 115.14 2wkl h GLU 300 Ca 0.02 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.60 2wkl h GLU 300 Cb 0.17 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.80 2wkl h GLU 300 CO -0.00 0.22 -0.76 0.00 -1.16 0.00 0.00 179.01 177.31 2wkl h ALA 301 N 1.78 0.14 -1.00 3.43 0.00 -1.34 -3.39 119.26 118.86 2wkl h ALA 301 Ca -0.00 -0.82 0.17 0.00 0.00 0.00 0.00 54.91 54.26 2wkl h ALA 301 Cb 0.90 0.50 -0.10 0.00 0.00 0.00 0.00 17.79 19.09 2wkl h ALA 301 CO 0.03 0.48 0.62 0.00 0.00 0.00 0.00 179.25 180.38 2wkl h ALA 302 N -0.57 1.64 0.00 0.00 0.00 -1.08 0.11 119.26 119.36 2wkl h ALA 302 Ca -0.18 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2wkl h ALA 302 Cb 0.96 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.63 2wkl h ALA 302 CO -0.11 0.01 0.10 1.57 0.00 0.00 0.00 179.25 180.82 2wkl h LYS 303 N 0.82 0.00 0.00 0.00 2.10 -1.73 -1.72 116.57 116.04 2wkl h LYS 303 Ca 0.56 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.21 2wkl h LYS 303 Cb 0.81 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.14 2wkl h LYS 303 CO -0.35 0.00 -1.65 0.66 -2.00 0.00 0.00 179.45 176.11 2wkl n TYR 304 N -2.47 0.00 -3.32 0.07 0.53 0.38 -4.93 117.16 107.42 2wkl n TYR 304 Ca -0.02 0.00 -0.42 0.00 -1.02 0.00 0.00 57.90 56.44 2wkl n TYR 304 Cb 0.14 -0.34 -0.09 0.00 -1.03 0.00 0.00 39.34 38.02 2wkl n TYR 304 CO 0.00 0.00 0.00 0.08 -1.02 0.00 0.00 176.86 175.92 2wkl s VAL 305 N -3.24 5.09 -0.02 -0.72 1.01 -0.65 -4.20 120.40 117.67 2wkl s VAL 305 Ca -0.03 -0.13 0.12 0.00 0.00 0.00 0.00 61.98 61.94 2wkl s VAL 305 Cb 0.13 -3.97 -0.04 0.00 0.00 0.00 0.00 36.38 32.50 2wkl s VAL 305 CO 0.82 -0.31 1.40 -0.74 0.00 0.00 0.00 175.10 176.27 2wkl h HIS 306 N 8.63 0.00 -2.33 5.22 2.76 -1.23 -3.48 115.15 124.72 2wkl h HIS 306 Ca -0.27 0.00 0.19 0.00 -2.20 0.00 0.00 60.37 58.09 2wkl h HIS 306 Cb 1.12 0.00 -0.06 0.00 1.55 0.00 0.00 27.41 30.02 2wkl h HIS 306 CO 0.66 0.69 0.58 0.20 -1.30 0.00 0.00 177.93 178.76 2wkl s GLY 307 N -4.55 -0.08 -0.15 5.26 0.00 -1.20 -3.55 107.32 103.05 2wkl s GLY 307 Ca 0.02 -0.04 0.00 0.00 0.00 0.00 0.00 44.72 44.71 2wkl s GLY 307 CO 0.77 1.33 -0.15 -0.42 0.00 0.00 0.00 173.10 174.63 2wkl s ILE 308 N -2.62 1.61 -0.11 0.90 1.01 0.29 -1.10 121.20 121.18 2wkl s ILE 308 Ca 0.18 -0.66 -0.14 0.00 0.00 0.00 0.00 60.65 60.02 2wkl s ILE 308 Cb -0.01 -1.50 -0.05 0.00 0.01 0.00 0.00 42.46 40.91 2wkl s ILE 308 CO 0.03 0.47 0.34 0.00 0.00 0.00 0.00 174.94 175.78 2wkl s ALA 309 N 1.44 3.62 0.18 9.38 0.00 -0.10 -1.71 121.76 134.57 2wkl s ALA 309 Ca 0.04 -0.36 0.10 0.00 0.00 0.00 0.00 51.96 51.74 2wkl s ALA 309 Cb -0.13 -2.40 -0.04 0.00 0.00 0.00 0.00 23.12 20.55 2wkl s ALA 309 CO -0.10 0.22 -0.21 0.14 0.00 0.00 0.00 175.76 175.80 2wkl s VAL 310 N -0.03 2.10 0.08 0.00 -7.23 0.17 -0.31 120.40 115.18 2wkl s VAL 310 Ca 0.20 -1.97 0.01 0.00 -1.81 0.00 0.00 61.98 58.41 2wkl s VAL 310 Cb -0.14 -1.98 -0.04 0.00 0.56 0.00 0.00 36.38 34.78 2wkl s VAL 310 CO 0.07 -0.20 0.18 -1.00 -0.31 0.00 0.00 175.10 173.85 2wkl s HIS 311 N -1.82 3.42 -0.07 2.82 3.76 -0.34 -1.10 115.29 121.96 2wkl s HIS 311 Ca 0.18 0.19 -0.10 0.00 -0.15 0.00 0.00 55.06 55.17 2wkl s HIS 311 Cb -0.07 -1.71 -0.29 0.00 1.11 0.00 0.00 32.58 31.62 2wkl s HIS 311 CO 0.08 0.56 0.58 -1.49 -0.85 0.00 0.00 174.74 173.62 2wkl h TRP 312 N 3.03 0.64 0.00 1.40 6.55 -1.61 -3.33 115.95 122.63 2wkl h TRP 312 Ca -0.46 -0.47 0.00 0.00 0.95 0.00 0.00 58.89 58.91 2wkl h TRP 312 Cb 1.17 -0.03 0.00 0.00 -0.86 0.00 0.00 29.16 29.44 2wkl h TRP 312 CO 0.60 1.71 0.00 0.98 -1.05 0.00 0.00 178.44 180.68 2wkl n TYR 313 N -3.59 0.00 -1.61 0.49 9.36 -0.67 -0.43 117.16 120.72 2wkl n TYR 313 Ca -0.27 0.00 -0.32 0.00 3.32 0.00 0.00 57.90 60.63 2wkl n TYR 313 Cb 1.06 -0.48 0.06 0.00 -0.63 0.00 0.00 39.34 39.34 2wkl n TYR 313 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 2wkl n LEU 314 N -3.87 6.79 0.05 2.98 4.77 -1.26 -4.44 117.00 122.02 2wkl n LEU 314 Ca 0.00 -4.49 -0.05 0.00 -0.03 0.00 0.00 56.01 51.44 2wkl n LEU 314 Cb 0.00 -0.78 0.15 0.00 -2.33 0.00 0.00 43.42 40.46 2wkl n LEU 314 CO 0.00 1.70 0.59 0.44 -1.33 0.00 0.00 177.39 178.79 2wkl h ASP 315 N 2.14 0.41 0.08 -1.43 3.32 -1.04 -3.25 116.42 116.65 2wkl h ASP 315 Ca 0.53 -0.19 -0.00 0.00 0.02 0.00 0.00 57.03 57.38 2wkl h ASP 315 Cb 0.98 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 40.41 2wkl h ASP 315 CO 1.32 0.80 -0.02 2.19 -1.72 0.00 0.00 179.24 181.81 2wkl h PHE 316 N 0.32 0.00 0.00 4.55 -5.15 -1.83 -2.33 116.94 112.49 2wkl h PHE 316 Ca 0.02 0.00 -0.01 0.00 -0.20 0.00 0.00 57.97 57.78 2wkl h PHE 316 Cb 0.91 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 37.08 2wkl h PHE 316 CO 0.03 0.02 -0.05 -0.07 -2.00 0.00 0.00 178.31 176.24 2wkl h LEU 317 N 0.00 0.00 -6.65 2.10 3.38 -1.95 -3.44 115.31 108.75 2wkl h LEU 317 Ca -0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 2wkl h LEU 317 Cb 0.07 0.00 -0.24 0.00 0.09 0.00 0.00 40.66 40.58 2wkl h LEU 317 CO 0.00 0.05 -0.31 0.00 0.09 0.00 0.00 178.44 178.27 2wkl s ALA 318 N -3.68 -1.65 0.42 1.53 0.00 -0.88 -5.07 121.76 112.44 2wkl s ALA 318 Ca 0.01 1.66 -0.24 0.00 0.00 0.00 0.00 51.96 53.39 2wkl s ALA 318 Cb 0.09 -1.74 -0.11 0.00 0.00 0.00 0.00 23.12 21.37 2wkl s ALA 318 CO 0.56 -1.06 0.96 -0.35 0.00 0.00 0.00 175.76 175.87 2wkl n PRO 319 N 5.41 1.26 -0.25 0.00 -0.04 -1.26 -4.84 135.00 135.28 2wkl n PRO 319 Ca -0.06 0.45 -0.00 0.00 -0.04 0.00 0.00 63.50 63.85 2wkl n PRO 319 Cb 0.50 -1.98 0.12 0.00 -0.04 0.00 0.00 33.50 32.10 2wkl n PRO 319 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2wkl h ALA 320 N 1.47 0.98 -0.65 0.55 0.00 -1.98 -2.90 119.26 116.72 2wkl h ALA 320 Ca -0.44 0.02 0.08 0.00 0.00 0.00 0.00 54.91 54.57 2wkl h ALA 320 Cb 1.34 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.94 2wkl h ALA 320 CO 0.56 0.07 0.31 -0.22 0.00 0.00 0.00 179.25 179.98 2wkl h LYS 321 N 0.72 0.54 0.00 0.00 3.64 -1.95 0.28 116.57 119.81 2wkl h LYS 321 Ca 0.33 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.68 2wkl h LYS 321 Cb 0.24 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 31.93 2wkl h LYS 321 CO -0.20 0.36 0.00 0.00 -2.27 0.00 0.00 179.45 177.34 2wkl n ALA 322 N -2.40 2.22 -0.74 5.00 0.00 -1.11 -1.10 120.51 122.38 2wkl n ALA 322 Ca 0.09 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.51 2wkl n ALA 322 Cb 0.23 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.22 2wkl n ALA 322 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2wkl n THR 323 N -2.15 0.00 -0.22 0.00 -2.24 -0.72 -4.34 114.28 104.62 2wkl n THR 323 Ca 0.05 0.05 -0.07 0.00 -2.27 0.00 0.00 64.05 61.81 2wkl n THR 323 Cb 0.39 -0.81 0.03 0.00 -2.10 0.00 0.00 70.33 67.85 2wkl n THR 323 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 2wkl h LEU 324 N 0.00 0.79 -0.13 3.22 3.38 -1.26 -1.08 115.31 120.23 2wkl h LEU 324 Ca 0.00 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 2wkl h LEU 324 Cb 0.00 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 2wkl h LEU 324 CO 0.00 0.68 0.05 1.23 0.09 0.00 0.00 178.44 180.49 2wkl h GLY 325 N 0.83 0.20 0.95 0.83 0.00 -0.97 -1.42 103.07 103.49 2wkl h GLY 325 Ca 0.21 -0.11 -0.06 0.00 0.00 0.00 0.00 47.33 47.37 2wkl h GLY 325 CO -0.03 0.10 0.04 -2.09 0.00 0.00 0.00 176.54 174.56 2wkl h GLU 326 N 0.05 0.70 -0.88 4.80 4.57 -1.12 -2.04 114.58 120.66 2wkl h GLU 326 Ca 0.04 -0.21 0.02 0.00 -1.18 0.00 0.00 59.36 58.03 2wkl h GLU 326 Cb 0.17 -0.07 -0.05 0.00 -0.16 0.00 0.00 28.75 28.64 2wkl h GLU 326 CO -0.00 0.76 0.58 1.15 -1.18 0.00 0.00 179.01 180.32 2wkl h THR 327 N 0.55 1.20 -0.43 0.32 2.02 -1.00 -0.75 112.91 114.82 2wkl h THR 327 Ca 0.12 -0.40 -0.03 0.00 0.77 0.00 0.00 66.41 66.87 2wkl h THR 327 Cb 0.42 -0.06 -0.02 0.00 -1.74 0.00 0.00 68.15 66.75 2wkl h THR 327 CO 0.01 0.21 0.14 -0.74 0.37 0.00 0.00 175.52 175.51 2wkl h HIS 328 N 1.16 0.68 -0.24 3.16 -0.00 -1.08 -0.40 115.15 118.44 2wkl h HIS 328 Ca 0.33 -0.07 0.03 0.00 -0.00 0.00 0.00 60.37 60.67 2wkl h HIS 328 Cb -0.08 -0.20 -0.03 0.00 -0.00 0.00 0.00 27.41 27.10 2wkl h HIS 328 CO -0.00 0.62 0.04 -0.09 -0.00 0.00 0.00 177.93 178.50 2wkl h ARG 329 N 0.55 0.13 0.00 5.26 2.43 -0.68 -0.51 114.38 121.56 2wkl h ARG 329 Ca 0.14 -0.01 -0.09 0.00 -0.81 0.00 0.00 59.98 59.21 2wkl h ARG 329 Cb 0.26 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.77 2wkl h ARG 329 CO -0.00 0.08 -0.43 -0.07 -1.51 0.00 0.00 179.97 178.04 2wkl h LEU 330 N 0.13 0.00 -5.89 3.80 3.38 -1.11 -3.37 115.31 112.25 2wkl h LEU 330 Ca 0.11 0.00 -0.49 0.00 0.09 0.00 0.00 57.88 57.59 2wkl h LEU 330 Cb 0.11 0.00 -0.34 0.00 0.09 0.00 0.00 40.66 40.53 2wkl h LEU 330 CO -0.15 0.43 -0.94 0.49 0.09 0.00 0.00 178.44 178.36 2wkl n PHE 331 N -3.88 -1.21 0.31 1.13 3.01 -0.16 -5.01 117.46 111.64 2wkl n PHE 331 Ca -0.01 -3.07 0.16 0.00 1.01 0.00 0.00 57.45 55.54 2wkl n PHE 331 Cb 0.47 0.23 0.68 0.00 -0.01 0.00 0.00 39.48 40.86 2wkl n PHE 331 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 2wkl h PRO 332 N 4.54 0.00 -0.61 -1.08 0.13 -1.28 -3.06 132.00 130.64 2wkl h PRO 332 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 2wkl h PRO 332 Cb 0.93 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.06 2wkl h PRO 332 CO 0.38 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.24 2wkl n ASN 333 N -2.88 4.66 -4.15 1.44 3.02 -1.26 -4.82 115.26 111.27 2wkl n ASN 333 Ca 0.01 -2.47 -0.35 0.00 -0.03 0.00 0.00 54.58 51.74 2wkl n ASN 333 Cb 0.27 -0.56 -0.13 0.00 -0.61 0.00 0.00 39.78 38.74 2wkl n ASN 333 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2wkl s THR 334 N -1.87 3.06 0.58 3.41 2.01 -1.16 -5.00 115.64 116.67 2wkl s THR 334 Ca 0.50 -1.67 -0.20 0.00 0.31 0.00 0.00 61.69 60.63 2wkl s THR 334 Cb 0.32 -2.90 -0.04 0.00 0.01 0.00 0.00 72.50 69.89 2wkl s THR 334 CO 0.23 -0.34 1.31 1.15 -0.69 0.00 0.00 174.62 176.29 2wkl n MET 335 N 4.59 1.45 -4.14 4.92 0.00 -1.23 -4.68 117.12 118.02 2wkl n MET 335 Ca -0.08 0.54 -0.35 0.00 0.00 0.00 0.00 57.70 57.81 2wkl n MET 335 Cb 0.43 -2.54 -0.09 0.00 0.00 0.00 0.00 33.22 31.02 2wkl n MET 335 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 2wkl s LEU 336 N -3.66 3.85 -0.00 3.17 1.43 -1.26 -0.55 118.68 121.65 2wkl s LEU 336 Ca 0.76 0.20 0.01 0.00 -1.03 0.00 0.00 54.13 54.06 2wkl s LEU 336 Cb -0.41 -1.92 0.00 0.00 0.03 0.00 0.00 46.19 43.89 2wkl s LEU 336 CO 0.46 0.32 -0.02 0.12 0.23 0.00 0.00 176.35 177.46 2wkl s PHE 337 N -0.53 0.18 -0.64 0.29 5.36 -0.70 -0.12 117.98 121.83 2wkl s PHE 337 Ca 0.10 -0.03 -0.18 0.00 -0.96 0.00 0.00 56.93 55.86 2wkl s PHE 337 Cb -0.12 -0.13 0.12 0.00 -0.34 0.00 0.00 43.02 42.55 2wkl s PHE 337 CO 0.02 -0.01 0.75 0.00 -1.46 0.00 0.00 175.22 174.52 2wkl s ALA 338 N 0.03 3.47 -0.54 11.12 0.00 0.01 0.44 121.76 136.28 2wkl s ALA 338 Ca -0.00 -2.38 0.24 0.00 0.00 0.00 0.00 51.96 49.83 2wkl s ALA 338 Cb -0.02 -3.57 0.42 0.00 0.00 0.00 0.00 23.12 19.95 2wkl s ALA 338 CO -0.00 -2.40 1.48 0.66 0.00 0.00 0.00 175.76 175.50 2wkl h SER 339 N 9.03 0.00 -2.55 0.00 4.64 -1.37 0.68 113.55 123.98 2wkl h SER 339 Ca -0.22 -0.06 -0.59 0.00 -0.47 0.00 0.00 61.79 60.45 2wkl h SER 339 Cb 1.08 0.00 -0.39 0.00 -0.31 0.00 0.00 62.40 62.78 2wkl h SER 339 CO 1.07 0.03 -0.90 -0.70 -0.87 0.00 0.00 176.83 175.46 2wkl s GLU 340 N -3.19 0.88 -1.05 4.77 2.12 -1.20 -4.50 118.70 116.52 2wkl s GLU 340 Ca 0.07 -1.88 -0.18 0.00 0.36 0.00 0.00 54.97 53.33 2wkl s GLU 340 Cb 0.10 -1.53 0.12 0.00 0.26 0.00 0.00 34.13 33.08 2wkl s GLU 340 CO 0.68 -1.31 1.31 0.00 -0.54 0.00 0.00 175.26 175.41 2wkl s ALA 341 N 0.37 3.41 -0.10 6.30 0.00 0.38 -2.16 121.76 129.96 2wkl s ALA 341 Ca 0.26 -2.85 -0.05 0.00 0.00 0.00 0.00 51.96 49.32 2wkl s ALA 341 Cb -0.08 -4.20 0.05 0.00 0.00 0.00 0.00 23.12 18.89 2wkl s ALA 341 CO -0.11 -3.06 0.24 0.00 0.00 0.00 0.00 175.76 172.83 2wkl h VAL 343 N 5.88 0.93 0.00 0.00 -1.51 -1.90 -1.78 116.25 117.86 2wkl h VAL 343 Ca -0.41 -2.37 0.00 0.00 -1.23 0.00 0.00 66.70 62.69 2wkl h VAL 343 Cb 1.16 2.63 0.00 0.00 -2.13 0.00 0.00 31.29 32.94 2wkl h VAL 343 CO 0.38 0.72 0.00 0.61 -1.23 0.00 0.00 177.57 178.04 2wkl n GLY 344 N 1.77 2.80 2.10 5.19 0.00 -1.26 -3.80 105.19 111.99 2wkl n GLY 344 Ca -0.27 -0.59 -0.19 0.00 0.00 0.00 0.00 46.02 44.98 2wkl n GLY 344 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2wkl n SER 345 N 0.00 -3.31 -4.22 1.61 2.88 -1.26 -5.07 113.62 104.25 2wkl n SER 345 Ca 0.00 -0.54 -0.22 0.00 -1.33 0.00 0.00 58.87 56.78 2wkl n SER 345 Cb 0.00 -0.64 -0.13 0.00 -0.75 0.00 0.00 64.21 62.69 2wkl n SER 345 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 2wkl s LYS 346 N -4.14 1.08 0.54 -1.46 1.02 -1.26 -5.04 119.74 110.48 2wkl s LYS 346 Ca 0.41 -0.98 0.36 0.00 0.02 0.00 0.00 55.97 55.79 2wkl s LYS 346 Cb -0.07 -1.20 1.75 0.00 -0.52 0.00 0.00 37.83 37.78 2wkl s LYS 346 CO 0.35 0.29 2.08 0.27 -0.92 0.00 0.00 175.35 177.41 2wkl h PHE 347 N 4.50 0.00 0.00 3.18 -5.15 -2.02 -0.43 116.94 117.02 2wkl h PHE 347 Ca -0.42 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.35 2wkl h PHE 347 Cb 1.18 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.35 2wkl h PHE 347 CO 0.57 0.00 -1.78 -2.67 -2.00 0.00 0.00 178.31 172.44 2wkl n TRP 348 N -2.90 0.03 -1.87 6.09 2.14 -1.26 -4.94 117.44 114.74 2wkl n TRP 348 Ca -0.01 0.01 -0.40 0.00 2.07 0.00 0.00 57.50 59.17 2wkl n TRP 348 Cb 0.17 -0.42 0.01 0.00 -0.81 0.00 0.00 31.31 30.26 2wkl n TRP 348 CO 0.00 0.00 0.00 -1.21 2.07 0.00 0.00 177.69 178.55 2wkl s GLU 349 N -3.42 3.76 -0.53 -2.67 0.41 -0.17 -4.94 118.70 111.13 2wkl s GLU 349 Ca -0.05 2.35 -0.04 0.00 -0.41 0.00 0.00 54.97 56.82 2wkl s GLU 349 Cb 0.14 -2.68 0.03 0.00 -1.78 0.00 0.00 34.13 29.84 2wkl s GLU 349 CO 0.90 -0.73 2.82 0.00 -0.49 0.00 0.00 175.26 177.75 2wkl n GLN 350 N -0.11 2.66 0.00 1.61 10.64 -1.26 -4.76 117.38 126.16 2wkl n GLN 350 Ca 0.05 -2.35 0.00 0.00 -1.83 0.00 0.00 57.00 52.87 2wkl n GLN 350 Cb 0.42 -2.20 0.00 0.00 -0.86 0.00 0.00 30.24 27.60 2wkl n GLN 350 CO 0.00 0.00 0.00 0.45 -1.83 0.00 0.00 177.06 175.68 2wkl n SER 351 N 1.18 0.00 -4.67 2.61 2.88 -1.26 -4.57 113.62 109.79 2wkl n SER 351 Ca 0.50 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.63 2wkl n SER 351 Cb 0.55 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.97 2wkl n SER 351 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 2wkl s VAL 352 N 0.00 4.83 -0.21 2.46 1.01 -1.26 -3.62 120.40 123.61 2wkl s VAL 352 Ca 0.00 1.76 -0.01 0.00 0.00 0.00 0.00 61.98 63.73 2wkl s VAL 352 Cb 0.00 -4.19 0.06 0.00 0.00 0.00 0.00 36.38 32.25 2wkl s VAL 352 CO 0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 175.10 175.08 2wkl s ARG 353 N 2.33 1.06 -0.34 2.72 1.70 -1.26 -5.01 118.95 120.15 2wkl s ARG 353 Ca 0.41 -0.67 -0.28 0.00 -0.47 0.00 0.00 55.73 54.72 2wkl s ARG 353 Cb -0.17 -2.32 -0.01 0.00 -0.57 0.00 0.00 34.95 31.89 2wkl s ARG 353 CO 0.12 -0.63 1.74 -0.51 -1.08 0.00 0.00 175.30 174.94 2wkl s LEU 354 N 1.66 3.52 0.00 -1.89 1.43 -1.26 -2.83 118.68 119.31 2wkl s LEU 354 Ca -0.03 1.22 0.00 0.00 -1.03 0.00 0.00 54.13 54.29 2wkl s LEU 354 Cb -0.18 -3.51 0.00 0.00 0.03 0.00 0.00 46.19 42.53 2wkl s LEU 354 CO -0.07 -1.67 0.00 0.61 0.23 0.00 0.00 176.35 175.45 2wkl n GLY 355 N 5.37 1.09 3.61 -3.19 0.00 -1.26 -4.21 105.19 106.59 2wkl n GLY 355 Ca 0.22 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.81 2wkl n GLY 355 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2wkl s SER 356 N -2.00 5.96 0.46 1.61 0.15 -1.13 -1.55 113.70 117.21 2wkl s SER 356 Ca 0.00 1.45 0.26 0.00 0.70 0.00 0.00 55.95 58.36 2wkl s SER 356 Cb 0.00 -2.53 0.98 0.00 -1.71 0.00 0.00 66.02 62.76 2wkl s SER 356 CO 0.00 -1.63 1.84 -0.25 1.20 0.00 0.00 173.24 174.41 2wkl h TRP 357 N 12.59 0.00 -0.13 3.44 2.91 -1.90 -3.19 115.95 129.67 2wkl h TRP 357 Ca -0.35 0.00 -0.12 0.00 1.13 0.00 0.00 58.89 59.55 2wkl h TRP 357 Cb 1.17 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.83 2wkl h TRP 357 CO 0.95 0.16 -0.41 0.22 -1.03 0.00 0.00 178.44 178.33 2wkl h ASP 358 N 0.00 0.58 -0.20 2.65 1.82 -1.97 -1.23 116.42 118.07 2wkl h ASP 358 Ca -0.00 -0.60 -0.05 0.00 -0.39 0.00 0.00 57.03 55.99 2wkl h ASP 358 Cb 0.72 -0.17 -0.02 0.00 0.68 0.00 0.00 39.33 40.54 2wkl h ASP 358 CO 0.02 1.08 -0.01 0.03 -1.61 0.00 0.00 179.24 178.75 2wkl h ARG 359 N 0.11 0.49 0.12 0.28 3.08 -1.98 -0.78 114.38 115.71 2wkl h ARG 359 Ca -0.01 -0.11 0.00 0.00 0.07 0.00 0.00 59.98 59.93 2wkl h ARG 359 Cb 1.03 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.98 2wkl h ARG 359 CO 0.09 0.53 -0.32 0.78 -1.07 0.00 0.00 179.97 179.98 2wkl h GLY 360 N 0.82 -1.16 0.52 0.04 0.00 -1.48 -1.07 103.07 100.74 2wkl h GLY 360 Ca 0.10 0.58 0.21 0.00 0.00 0.00 0.00 47.33 48.21 2wkl h GLY 360 CO 0.01 -0.34 0.53 -0.33 0.00 0.00 0.00 176.54 176.41 2wkl h MET 361 N -0.49 0.09 -0.35 4.80 2.86 -0.96 -0.34 114.93 120.53 2wkl h MET 361 Ca -0.01 -0.01 -0.16 0.00 -2.06 0.00 0.00 59.70 57.46 2wkl h MET 361 Cb 0.48 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.12 2wkl h MET 361 CO -0.15 0.06 -0.43 1.96 1.06 0.00 0.00 176.91 179.41 2wkl h GLN 362 N 0.09 0.88 -0.18 1.72 4.20 -0.33 -0.44 115.11 121.06 2wkl h GLN 362 Ca 0.37 -0.49 0.01 0.00 0.06 0.00 0.00 58.65 58.60 2wkl h GLN 362 Cb 1.32 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 29.12 2wkl h GLN 362 CO -0.04 1.13 0.10 1.88 -0.67 0.00 0.00 178.83 181.24 2wkl h TYR 363 N 0.71 0.19 -0.06 2.96 -1.99 0.18 -2.17 116.97 116.79 2wkl h TYR 363 Ca 0.05 0.01 -0.24 0.00 2.00 0.00 0.00 58.73 60.54 2wkl h TYR 363 Cb 1.02 -0.06 0.01 0.00 2.00 0.00 0.00 36.73 39.70 2wkl h TYR 363 CO 0.06 0.11 -0.92 0.66 -0.00 0.00 0.00 178.16 178.08 2wkl h SER 364 N 0.21 0.83 -0.82 3.88 4.64 -1.40 -1.73 113.55 119.15 2wkl h SER 364 Ca 0.07 -0.61 0.16 0.00 -0.47 0.00 0.00 61.79 60.94 2wkl h SER 364 Cb -0.00 -0.25 -0.10 0.00 -0.31 0.00 0.00 62.40 61.74 2wkl h SER 364 CO -0.03 1.41 0.38 -0.74 -0.87 0.00 0.00 176.83 176.97 2wkl h HIS 365 N 0.41 0.64 -0.14 4.77 -0.00 -1.08 -0.60 115.15 119.16 2wkl h HIS 365 Ca -0.09 0.04 -0.20 0.00 -0.00 0.00 0.00 60.37 60.12 2wkl h HIS 365 Cb 1.55 -0.16 0.00 0.00 -0.00 0.00 0.00 27.41 28.80 2wkl h HIS 365 CO 0.09 0.09 -0.71 0.77 -0.00 0.00 0.00 177.93 178.16 2wkl h SER 366 N 0.51 0.72 -0.53 3.26 0.02 -1.10 -0.73 113.55 115.70 2wkl h SER 366 Ca 0.47 -0.45 0.02 0.00 -0.84 0.00 0.00 61.79 60.98 2wkl h SER 366 Cb 0.73 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 63.02 2wkl h SER 366 CO -0.41 1.22 0.33 0.40 -1.14 0.00 0.00 176.83 177.22 2wkl h ILE 367 N 0.43 1.07 0.13 3.27 2.04 -0.93 0.42 117.51 123.95 2wkl h ILE 367 Ca -0.03 -0.22 -0.01 0.00 1.00 0.00 0.00 64.86 65.60 2wkl h ILE 367 Cb 1.31 0.36 0.00 0.00 -0.74 0.00 0.00 36.82 37.75 2wkl h ILE 367 CO 0.14 0.12 -0.06 0.40 0.00 0.00 0.00 178.15 178.74 2wkl h ILE 368 N 0.65 1.02 -0.54 -0.67 2.04 -0.92 0.17 117.51 119.26 2wkl h ILE 368 Ca 0.21 -0.64 0.11 0.00 1.00 0.00 0.00 64.86 65.54 2wkl h ILE 368 Cb 0.00 1.42 -0.09 0.00 -0.74 0.00 0.00 36.82 37.42 2wkl h ILE 368 CO -0.09 0.15 0.02 0.74 0.00 0.00 0.00 178.15 178.98 2wkl h THR 369 N -0.47 0.59 -0.54 -0.27 2.02 -1.02 -0.13 112.91 113.08 2wkl h THR 369 Ca -0.02 -0.05 0.04 0.00 0.77 0.00 0.00 66.41 67.15 2wkl h THR 369 Cb 0.38 0.44 -0.04 0.00 -1.74 0.00 0.00 68.15 67.19 2wkl h THR 369 CO 0.03 0.03 0.30 0.78 0.37 0.00 0.00 175.52 177.02 2wkl h ASN 370 N 0.14 0.45 -0.67 4.18 -0.26 0.34 -2.20 115.58 117.55 2wkl h ASN 370 Ca 0.28 0.02 -0.06 0.00 -0.56 0.00 0.00 56.30 55.98 2wkl h ASN 370 Cb 0.42 -0.07 -0.03 0.00 -1.06 0.00 0.00 38.32 37.58 2wkl h ASN 370 CO -0.44 0.31 0.20 -0.07 -1.06 0.00 0.00 177.43 176.37 2wkl h LEU 371 N 0.58 1.01 0.00 1.61 3.38 0.43 0.12 115.31 122.44 2wkl h LEU 371 Ca 0.23 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2wkl h LEU 371 Cb 0.10 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.58 2wkl h LEU 371 CO -0.14 0.95 0.00 0.18 0.09 0.00 0.00 178.44 179.52 2wkl n LEU 372 N -4.25 0.00 -1.73 1.67 4.77 -0.17 -2.85 117.00 114.43 2wkl n LEU 372 Ca 0.05 0.17 -0.10 0.00 -0.03 0.00 0.00 56.01 56.10 2wkl n LEU 372 Cb 0.23 -0.17 0.07 0.00 -2.33 0.00 0.00 43.42 41.23 2wkl n LEU 372 CO 0.41 -0.05 0.19 -1.22 -1.33 0.00 0.00 177.39 175.40 2wkl n TYR 373 N -1.17 1.60 -0.87 -1.77 4.02 0.37 -4.99 117.16 114.35 2wkl n TYR 373 Ca 0.13 -1.89 0.00 0.00 -0.01 0.00 0.00 57.90 56.13 2wkl n TYR 373 Cb 0.14 -0.29 0.00 0.00 -0.02 0.00 0.00 39.34 39.17 2wkl n TYR 373 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 176.86 176.57 2wkl n HIS 374 N -0.71 0.00 -2.56 -0.72 8.25 -1.03 -4.64 115.22 113.81 2wkl n HIS 374 Ca 0.29 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.34 2wkl n HIS 374 Cb 0.89 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.95 2wkl n HIS 374 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2wkl s VAL 375 N -2.71 3.92 -0.35 1.59 1.01 -1.02 -4.40 120.40 118.45 2wkl s VAL 375 Ca 0.00 1.70 0.22 0.00 0.00 0.00 0.00 61.98 63.90 2wkl s VAL 375 Cb 0.00 -4.08 -0.29 0.00 0.00 0.00 0.00 36.38 32.01 2wkl s VAL 375 CO 0.00 0.31 0.65 1.33 0.00 0.00 0.00 175.10 177.39 2wkl n VAL 376 N 2.22 0.03 -3.64 2.92 0.24 0.83 -4.63 118.33 116.31 2wkl n VAL 376 Ca 0.02 -0.34 -0.08 0.00 -2.04 0.00 0.00 64.34 61.90 2wkl n VAL 376 Cb 0.46 0.29 -0.02 0.00 -1.47 0.00 0.00 33.84 33.11 2wkl n VAL 376 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2wkl s GLY 377 N -4.03 -0.35 -0.04 7.63 0.00 -1.26 0.14 107.32 109.41 2wkl s GLY 377 Ca -0.03 0.33 0.00 0.00 0.00 0.00 0.00 44.72 45.03 2wkl s GLY 377 CO 0.89 0.10 -0.02 -0.98 0.00 0.00 0.00 173.10 173.09 2wkl s TRP 378 N -3.51 0.50 -0.28 1.90 0.51 -0.58 -0.81 118.94 116.66 2wkl s TRP 378 Ca 0.07 -0.09 -0.08 0.00 -2.12 0.00 0.00 56.10 53.89 2wkl s TRP 378 Cb -0.02 -0.54 -0.01 0.00 -0.81 0.00 0.00 33.47 32.09 2wkl s TRP 378 CO -0.03 -0.17 0.10 0.95 -0.51 0.00 0.00 176.95 177.29 2wkl s THR 379 N 1.07 4.25 1.03 2.01 -4.23 0.23 -0.70 115.64 119.30 2wkl s THR 379 Ca -0.09 -0.45 -0.14 0.00 -1.18 0.00 0.00 61.69 59.83 2wkl s THR 379 Cb -0.14 -3.12 0.11 0.00 1.34 0.00 0.00 72.50 70.70 2wkl s THR 379 CO -0.01 0.16 0.48 -0.67 -0.54 0.00 0.00 174.62 174.03 2wkl n ASP 380 N 4.92 -1.78 0.00 3.99 2.03 0.19 0.15 116.55 126.05 2wkl n ASP 380 Ca -0.15 0.14 0.00 0.00 0.52 0.00 0.00 54.79 55.30 2wkl n ASP 380 Cb 0.49 -1.18 0.00 0.00 -0.72 0.00 0.00 41.12 39.72 2wkl n ASP 380 CO 0.00 0.00 0.00 1.87 -1.92 0.00 0.00 177.20 177.15 2wkl n TRP 381 N -4.14 0.00 -1.64 -0.67 -0.00 -1.25 -2.09 117.44 107.64 2wkl n TRP 381 Ca 0.05 0.00 -0.59 0.00 -0.00 0.00 0.00 57.50 56.96 2wkl n TRP 381 Cb 0.56 0.00 -0.08 0.00 -0.00 0.00 0.00 31.31 31.79 2wkl n TRP 381 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 177.69 177.78 2wkl n ASN 382 N 0.00 1.38 0.06 5.87 3.02 -1.26 -0.18 115.26 124.14 2wkl n ASN 382 Ca 0.00 1.13 0.08 0.00 -0.03 0.00 0.00 54.58 55.77 2wkl n ASN 382 Cb 0.00 -1.04 0.53 0.00 -0.61 0.00 0.00 39.78 38.66 2wkl n ASN 382 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 2wkl h LEU 383 N 5.07 0.27 -7.05 3.41 3.38 -0.97 -3.42 115.31 116.00 2wkl h LEU 383 Ca -0.47 -0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.45 2wkl h LEU 383 Cb 1.36 -0.06 -0.15 0.00 0.09 0.00 0.00 40.66 41.90 2wkl h LEU 383 CO 0.85 0.18 0.17 0.00 0.09 0.00 0.00 178.44 179.73 2wkl s ALA 384 N -5.30 -1.59 0.13 1.53 0.00 -1.26 -4.15 121.76 111.11 2wkl s ALA 384 Ca -0.07 0.77 -0.11 0.00 0.00 0.00 0.00 51.96 52.55 2wkl s ALA 384 Cb 0.18 0.50 0.01 0.00 0.00 0.00 0.00 23.12 23.81 2wkl s ALA 384 CO 0.72 -0.59 0.29 -0.51 0.00 0.00 0.00 175.76 175.66 2wkl s LEU 385 N -2.10 0.97 0.74 0.00 1.43 -0.94 -3.86 118.68 114.93 2wkl s LEU 385 Ca -0.04 -0.64 -0.07 0.00 -1.03 0.00 0.00 54.13 52.35 2wkl s LEU 385 Cb -0.01 1.33 0.09 0.00 0.03 0.00 0.00 46.19 47.63 2wkl s LEU 385 CO -0.03 -0.83 1.06 0.54 0.23 0.00 0.00 176.35 177.31 2wkl s ASN 386 N -2.88 4.53 0.41 2.29 2.20 -0.08 -0.45 114.94 120.96 2wkl s ASN 386 Ca 0.09 0.35 0.29 0.00 -0.94 0.00 0.00 52.86 52.64 2wkl s ASN 386 Cb 0.03 -0.89 1.41 0.00 -2.00 0.00 0.00 41.25 39.81 2wkl s ASN 386 CO -0.07 -1.79 1.87 -0.65 -2.94 0.00 0.00 177.10 173.52 2wkl h PRO 387 N -0.74 0.00 -0.01 3.55 0.11 -1.89 0.22 132.00 133.23 2wkl h PRO 387 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 2wkl h PRO 387 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 2wkl h PRO 387 CO 0.55 0.00 -0.08 0.39 -0.21 0.00 0.00 178.00 178.66 2wkl n GLU 388 N -2.54 1.45 -0.83 1.05 4.71 -1.26 -4.54 120.64 118.68 2wkl n GLU 388 Ca -0.01 -0.87 0.00 0.00 -0.01 0.00 0.00 57.16 56.27 2wkl n GLU 388 Cb 0.13 -1.48 0.00 0.00 -1.01 0.00 0.00 31.44 29.08 2wkl n GLU 388 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2wkl n GLY 389 N 1.23 0.62 0.43 0.62 0.00 0.77 -4.75 105.19 104.11 2wkl n GLY 389 Ca 0.17 -0.74 -0.04 0.00 0.00 0.00 0.00 46.02 45.41 2wkl n GLY 389 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wkl n GLY 390 N -2.39 4.06 3.74 -0.02 0.00 -1.24 -4.65 105.19 104.70 2wkl n GLY 390 Ca 0.00 -2.23 -0.40 0.00 0.00 0.00 0.00 46.02 43.39 2wkl n GLY 390 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2wkl s PRO 391 N -2.22 4.81 -0.04 1.61 0.04 -1.26 -0.90 135.00 137.03 2wkl s PRO 391 Ca 0.00 1.47 -0.01 0.00 0.04 0.00 0.00 61.00 62.51 2wkl s PRO 391 Cb -0.00 -3.31 0.03 0.00 0.04 0.00 0.00 34.50 31.26 2wkl s PRO 391 CO 0.00 0.43 0.02 1.21 0.04 0.00 0.00 177.00 178.69 2wkl s ASN 392 N -0.81 0.92 0.00 6.66 3.84 -1.26 -4.38 114.94 119.90 2wkl s ASN 392 Ca 0.43 -0.01 0.19 0.00 0.21 0.00 0.00 52.86 53.67 2wkl s ASN 392 Cb -0.25 -0.26 0.91 0.00 -0.55 0.00 0.00 41.25 41.10 2wkl s ASN 392 CO 0.31 -0.16 1.57 -2.67 -2.79 0.00 0.00 177.10 173.36 2wkl n TRP 393 N 4.70 0.00 0.02 0.43 4.27 -0.56 -4.25 117.44 122.05 2wkl n TRP 393 Ca -0.15 0.00 -0.02 0.00 -3.89 0.00 0.00 57.50 53.44 2wkl n TRP 393 Cb 0.50 -0.33 -0.01 0.00 -1.36 0.00 0.00 31.31 30.12 2wkl n TRP 393 CO 0.00 0.00 0.00 0.28 -2.29 0.00 0.00 177.69 175.68 2wkl n VAL 394 N -1.33 1.25 -3.53 -1.67 0.31 -1.26 -5.09 118.33 107.02 2wkl n VAL 394 Ca 0.08 0.34 -0.13 0.00 -0.01 0.00 0.00 64.34 64.61 2wkl n VAL 394 Cb 0.16 -1.74 -0.05 0.00 -0.91 0.00 0.00 33.84 31.31 2wkl n VAL 394 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 2wkl s ARG 395 N -2.18 0.89 -0.27 5.55 3.52 -1.26 -5.14 118.95 120.06 2wkl s ARG 395 Ca -0.06 0.06 -0.13 0.00 -0.13 0.00 0.00 55.73 55.47 2wkl s ARG 395 Cb 0.01 0.42 -0.04 0.00 -1.56 0.00 0.00 34.95 33.77 2wkl s ARG 395 CO 0.09 -0.31 0.27 -0.80 -0.81 0.00 0.00 175.30 173.73 2wkl s ASN 396 N -1.53 6.13 0.00 -2.12 -0.87 -1.26 -4.87 114.94 110.42 2wkl s ASN 396 Ca -0.04 0.13 0.00 0.00 -1.57 0.00 0.00 52.86 51.38 2wkl s ASN 396 Cb -0.00 -2.16 0.00 0.00 -0.02 0.00 0.00 41.25 39.07 2wkl s ASN 396 CO 0.02 -0.10 0.17 2.22 -2.57 0.00 0.00 177.10 176.84 2wkl n PHE 397 N 5.10 0.00 -4.39 2.20 -1.74 -1.26 -4.89 117.46 112.48 2wkl n PHE 397 Ca -0.12 0.00 -0.28 0.00 -0.56 0.00 0.00 57.45 56.50 2wkl n PHE 397 Cb 0.51 0.00 -0.12 0.00 1.52 0.00 0.00 39.48 41.39 2wkl n PHE 397 CO 0.00 0.00 0.00 0.14 -0.56 0.00 0.00 176.76 176.34 2wkl s VAL 398 N -0.35 2.23 0.73 1.97 -7.23 -1.26 -4.61 120.40 111.88 2wkl s VAL 398 Ca 0.00 -1.84 -0.04 0.00 -1.81 0.00 0.00 61.98 58.30 2wkl s VAL 398 Cb 0.00 -2.00 0.12 0.00 0.56 0.00 0.00 36.38 35.05 2wkl s VAL 398 CO 0.00 -0.00 1.02 -0.62 -0.31 0.00 0.00 175.10 175.19 2wkl s ASP 399 N -2.27 4.35 -0.04 4.85 -1.08 -1.24 -4.38 116.67 116.87 2wkl s ASP 399 Ca 0.16 -0.10 -0.16 0.00 -0.52 0.00 0.00 52.55 51.93 2wkl s ASP 399 Cb -0.09 -0.34 0.03 0.00 -1.46 0.00 0.00 42.92 41.06 2wkl s ASP 399 CO 0.07 -1.86 0.35 -0.55 0.52 0.00 0.00 175.17 173.70 2wkl s SER 400 N -4.69 -0.26 0.59 -0.34 0.15 -1.26 -4.89 113.70 103.00 2wkl s SER 400 Ca 0.65 0.25 0.29 0.00 0.70 0.00 0.00 55.95 57.84 2wkl s SER 400 Cb -0.07 0.41 1.62 0.00 -1.71 0.00 0.00 66.02 66.28 2wkl s SER 400 CO 0.45 -0.41 2.05 -0.65 1.20 0.00 0.00 173.24 175.88 2wkl h PRO 401 N 4.07 0.00 -4.59 5.44 0.11 -1.82 -3.39 132.00 131.82 2wkl h PRO 401 Ca -0.29 0.00 -0.54 0.00 0.11 0.00 0.00 66.00 65.28 2wkl h PRO 401 Cb 1.17 0.00 -0.34 0.00 0.11 0.00 0.00 31.00 31.94 2wkl h PRO 401 CO 0.38 0.00 -0.82 0.42 -0.21 0.00 0.00 178.00 177.77 2wkl s ILE 402 N -4.62 1.24 -0.14 4.15 1.01 -1.26 -0.35 121.20 121.24 2wkl s ILE 402 Ca -0.05 -0.52 -0.01 0.00 0.00 0.00 0.00 60.65 60.08 2wkl s ILE 402 Cb 0.15 -1.14 -0.01 0.00 0.01 0.00 0.00 42.46 41.47 2wkl s ILE 402 CO 0.54 0.38 -0.12 -0.63 0.00 0.00 0.00 174.94 175.11 2wkl s ILE 403 N 0.81 3.04 -0.16 2.92 -1.09 -0.30 -2.22 121.20 124.19 2wkl s ILE 403 Ca -0.11 -0.66 -0.07 0.00 -2.23 0.00 0.00 60.65 57.58 2wkl s ILE 403 Cb -0.15 -2.29 -0.04 0.00 -1.58 0.00 0.00 42.46 38.40 2wkl s ILE 403 CO 0.02 0.51 0.09 -0.69 -1.23 0.00 0.00 174.94 173.64 2wkl s VAL 404 N 0.53 5.08 -0.85 2.92 1.01 0.41 -0.20 120.40 129.30 2wkl s VAL 404 Ca -0.08 0.06 0.00 0.00 0.00 0.00 0.00 61.98 61.96 2wkl s VAL 404 Cb -0.16 -3.26 0.21 0.00 0.00 0.00 0.00 36.38 33.18 2wkl s VAL 404 CO 0.04 0.51 0.74 -0.67 0.00 0.00 0.00 175.10 175.72 2wkl n ASP 405 N 2.97 3.99 -0.45 3.32 -0.08 -0.12 -3.94 116.55 122.25 2wkl n ASP 405 Ca -0.18 -3.18 0.38 0.00 -1.51 0.00 0.00 54.79 50.30 2wkl n ASP 405 Cb 0.53 -0.97 0.66 0.00 2.34 0.00 0.00 41.12 43.68 2wkl n ASP 405 CO 0.00 0.00 0.00 0.40 0.12 0.00 0.00 177.20 177.72 2wkl h ILE 406 N 4.04 0.10 0.00 5.18 2.04 -1.89 0.61 117.51 127.59 2wkl h ILE 406 Ca 0.16 -0.02 -0.04 0.00 1.00 0.00 0.00 64.86 65.96 2wkl h ILE 406 Cb 0.78 0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 36.88 2wkl h ILE 406 CO 0.84 0.01 -0.21 0.71 0.00 0.00 0.00 178.15 179.51 2wkl h THR 407 N 0.07 0.98 -0.08 -0.27 1.35 -1.94 -3.21 112.91 109.81 2wkl h THR 407 Ca 0.83 -0.76 -0.02 0.00 -0.55 0.00 0.00 66.41 65.92 2wkl h THR 407 Cb 2.64 1.43 -0.01 0.00 -1.73 0.00 0.00 68.15 70.48 2wkl h THR 407 CO -0.43 0.20 -0.12 0.29 -0.25 0.00 0.00 175.52 175.21 2wkl n LYS 408 N -4.04 1.69 -3.72 4.72 5.02 0.19 -4.96 118.16 117.06 2wkl n LYS 408 Ca -0.02 -2.86 -0.21 0.00 -2.02 0.00 0.00 58.31 53.19 2wkl n LYS 408 Cb 0.28 -1.62 -0.07 0.00 -0.02 0.00 0.00 35.03 33.61 2wkl n LYS 408 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2wkl n ASP 409 N -1.18 0.52 -4.22 4.39 2.03 -1.14 -4.91 116.55 112.04 2wkl n ASP 409 Ca 0.19 -0.86 -0.17 0.00 0.52 0.00 0.00 54.79 54.48 2wkl n ASP 409 Cb 0.74 -1.07 -0.11 0.00 -0.72 0.00 0.00 41.12 39.96 2wkl n ASP 409 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 2wkl s THR 410 N -3.84 1.21 0.00 5.18 2.01 -1.19 -3.88 115.64 115.13 2wkl s THR 410 Ca 0.04 -1.72 -0.03 0.00 0.31 0.00 0.00 61.69 60.28 2wkl s THR 410 Cb -0.02 -1.51 -0.01 0.00 0.01 0.00 0.00 72.50 70.98 2wkl s THR 410 CO 0.68 -0.48 0.06 0.72 -0.69 0.00 0.00 174.62 174.90 2wkl s PHE 411 N -2.32 0.10 -0.13 4.92 -0.12 -0.12 -0.94 117.98 119.36 2wkl s PHE 411 Ca 0.09 -0.20 -0.02 0.00 -0.05 0.00 0.00 56.93 56.74 2wkl s PHE 411 Cb -0.04 -0.08 -0.02 0.00 -0.63 0.00 0.00 43.02 42.24 2wkl s PHE 411 CO 0.02 -0.19 -0.07 0.71 -0.05 0.00 0.00 175.22 175.64 2wkl s TYR 412 N -1.06 2.94 -0.39 3.49 1.51 0.72 -0.94 117.35 123.61 2wkl s TYR 412 Ca -0.12 -0.34 -0.17 0.00 -1.01 0.00 0.00 57.07 55.44 2wkl s TYR 412 Cb -0.07 -1.87 0.01 0.00 -0.11 0.00 0.00 41.96 39.92 2wkl s TYR 412 CO 0.00 -0.01 0.45 0.15 -1.11 0.00 0.00 175.55 175.03 2wkl s LYS 413 N 0.12 3.32 0.66 -0.62 1.02 -0.09 -1.16 119.74 123.00 2wkl s LYS 413 Ca -0.03 -0.54 -0.12 0.00 0.02 0.00 0.00 55.97 55.30 2wkl s LYS 413 Cb -0.14 -3.90 -0.01 0.00 -0.52 0.00 0.00 37.83 33.27 2wkl s LYS 413 CO 0.03 -0.75 1.06 -0.65 -0.92 0.00 0.00 175.35 174.12 2wkl s GLN 414 N 2.22 3.04 0.28 1.68 -1.52 0.53 -1.42 119.66 124.47 2wkl s GLN 414 Ca 0.14 1.04 0.02 0.00 -1.95 0.00 0.00 55.36 54.62 2wkl s GLN 414 Cb -0.16 -2.00 0.68 0.00 -0.22 0.00 0.00 33.01 31.31 2wkl s GLN 414 CO 0.14 -1.02 1.70 -1.35 -0.25 0.00 0.00 175.29 174.51 2wkl h PRO 415 N -0.36 0.41 -0.99 2.91 0.11 -1.77 0.89 132.00 133.21 2wkl h PRO 415 Ca -0.45 -0.02 0.19 0.00 0.11 0.00 0.00 66.00 65.82 2wkl h PRO 415 Cb 1.21 -0.09 -0.18 0.00 0.11 0.00 0.00 31.00 32.05 2wkl h PRO 415 CO 0.57 0.27 -0.29 -1.33 -0.21 0.00 0.00 178.00 177.01 2wkl n MET 416 N -5.03 -0.13 -0.32 1.05 2.81 -1.26 -0.93 117.12 113.31 2wkl n MET 416 Ca 0.21 1.54 0.08 0.00 -1.81 0.00 0.00 57.70 57.72 2wkl n MET 416 Cb 0.61 -2.30 0.29 0.00 -0.71 0.00 0.00 33.22 31.10 2wkl n MET 416 CO 0.00 0.00 0.00 0.35 1.51 0.00 0.00 175.97 177.83 2wkl h PHE 417 N 0.00 1.02 0.00 2.03 3.57 -0.99 -1.09 116.94 121.48 2wkl h PHE 417 Ca 0.44 0.03 -0.21 0.00 3.53 0.00 0.00 57.97 61.76 2wkl h PHE 417 Cb 0.69 -0.32 -0.03 0.00 2.79 0.00 0.00 35.95 39.07 2wkl h PHE 417 CO -0.79 0.42 -1.02 1.88 -2.23 0.00 0.00 178.31 176.57 2wkl h TYR 418 N 0.90 0.00 -0.54 0.41 -1.99 -1.06 -1.31 116.97 113.38 2wkl h TYR 418 Ca 0.46 0.00 -0.07 0.00 2.00 0.00 0.00 58.73 61.12 2wkl h TYR 418 Cb 0.50 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.21 2wkl h TYR 418 CO -0.00 0.99 0.06 0.45 -0.00 0.00 0.00 178.16 179.66 2wkl h HIS 419 N 0.00 0.98 -0.39 4.88 3.86 -0.65 -0.51 115.15 123.32 2wkl h HIS 419 Ca -0.02 -0.15 0.04 0.00 -1.16 0.00 0.00 60.37 59.08 2wkl h HIS 419 Cb 1.77 -0.27 -0.04 0.00 1.06 0.00 0.00 27.41 29.94 2wkl h HIS 419 CO 0.00 0.88 0.17 -0.07 0.86 0.00 0.00 177.93 179.77 2wkl h LEU 420 N 0.80 0.22 -1.25 2.43 3.38 -1.22 -3.03 115.31 116.65 2wkl h LEU 420 Ca 0.16 0.03 0.08 0.00 0.09 0.00 0.00 57.88 58.24 2wkl h LEU 420 Cb 0.44 -0.01 -0.06 0.00 0.09 0.00 0.00 40.66 41.13 2wkl h LEU 420 CO 0.02 0.17 0.55 1.23 0.09 0.00 0.00 178.44 180.49 2wkl h GLY 421 N 0.35 1.18 2.00 0.83 0.00 -0.54 0.15 103.07 107.05 2wkl h GLY 421 Ca 0.17 -0.36 0.00 0.00 0.00 0.00 0.00 47.33 47.15 2wkl h GLY 421 CO -0.15 0.23 0.00 0.45 0.00 0.00 0.00 176.54 177.08 2wkl h HIS 422 N 0.88 0.00 0.00 5.60 3.86 -0.99 -1.92 115.15 122.59 2wkl h HIS 422 Ca 0.38 0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.51 2wkl h HIS 422 Cb 0.32 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.77 2wkl h HIS 422 CO -0.00 0.00 -1.06 1.19 0.86 0.00 0.00 177.93 178.91 2wkl n PHE 423 N -2.83 0.00 0.15 2.45 3.01 -0.22 -4.66 117.46 115.36 2wkl n PHE 423 Ca -0.02 0.00 0.06 0.00 1.01 0.00 0.00 57.45 58.49 2wkl n PHE 423 Cb 0.06 -0.45 0.53 0.00 -0.01 0.00 0.00 39.48 39.61 2wkl n PHE 423 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 2wkl h SER 424 N -0.74 0.19 0.76 4.37 4.64 -0.65 -2.13 113.55 120.00 2wkl h SER 424 Ca -0.12 -0.01 -0.16 0.00 -0.47 0.00 0.00 61.79 61.03 2wkl h SER 424 Cb 0.90 -0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 62.92 2wkl h SER 424 CO -0.07 0.18 -0.77 0.50 -0.87 0.00 0.00 176.83 175.79 2wkl h LYS 425 N 0.22 0.01 -0.17 4.77 3.64 -0.88 -3.33 116.57 120.82 2wkl h LYS 425 Ca 0.06 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 2wkl h LYS 425 Cb 0.04 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.87 2wkl h LYS 425 CO -0.01 0.78 0.00 1.19 -2.27 0.00 0.00 179.45 179.14 2wkl n PHE 426 N -3.62 0.22 -3.46 1.91 3.01 -0.97 -4.77 117.46 109.76 2wkl n PHE 426 Ca -0.01 -0.28 -0.27 0.00 1.01 0.00 0.00 57.45 57.91 2wkl n PHE 426 Cb 0.75 -0.02 -0.09 0.00 -0.01 0.00 0.00 39.48 40.11 2wkl n PHE 426 CO 0.00 0.00 0.00 -0.89 1.01 0.00 0.00 176.76 176.88 2wkl n ILE 427 N 0.43 1.14 -0.64 4.37 5.41 -0.84 -4.91 119.36 124.31 2wkl n ILE 427 Ca 0.08 -4.68 -0.31 0.00 1.00 0.00 0.00 62.75 58.84 2wkl n ILE 427 Cb 0.32 -2.04 0.18 0.00 -0.71 0.00 0.00 39.64 37.40 2wkl n ILE 427 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 2wkl n PRO 428 N 1.41 -0.94 -1.67 0.38 -0.04 -1.26 -4.85 135.00 128.02 2wkl n PRO 428 Ca 0.26 -0.22 -0.44 0.00 -0.04 0.00 0.00 63.50 63.06 2wkl n PRO 428 Cb 0.43 -2.24 -0.02 0.00 -0.04 0.00 0.00 33.50 31.64 2wkl n PRO 428 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2wkl n GLU 429 N -4.03 1.96 0.00 0.54 2.13 -1.26 -2.38 120.64 117.61 2wkl n GLU 429 Ca 0.09 0.69 0.00 0.00 0.66 0.00 0.00 57.16 58.60 2wkl n GLU 429 Cb 0.53 -2.27 0.00 0.00 0.27 0.00 0.00 31.44 29.97 2wkl n GLU 429 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2wkl n GLY 430 N 1.35 2.77 3.72 8.31 0.00 -0.63 -4.86 105.19 115.85 2wkl n GLY 430 Ca 0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.75 2wkl n GLY 430 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2wkl s SER 431 N -1.24 4.21 -0.03 1.61 0.01 -1.00 -4.54 113.70 112.73 2wkl s SER 431 Ca 0.00 2.50 0.06 0.00 1.31 0.00 0.00 55.95 59.81 2wkl s SER 431 Cb 0.00 -2.60 -0.01 0.00 0.21 0.00 0.00 66.02 63.61 2wkl s SER 431 CO 0.00 -2.26 -0.20 -1.58 0.41 0.00 0.00 173.24 169.61 2wkl s GLN 432 N -3.71 1.75 0.25 12.44 0.74 -0.20 0.48 119.66 131.42 2wkl s GLN 432 Ca 0.78 -0.71 -0.30 0.00 0.05 0.00 0.00 55.36 55.19 2wkl s GLN 432 Cb -0.33 -1.62 -0.09 0.00 1.10 0.00 0.00 33.01 32.06 2wkl s GLN 432 CO 0.44 0.38 1.16 0.50 -0.55 0.00 0.00 175.29 177.22 2wkl s ARG 433 N -0.32 4.56 0.35 1.67 3.52 -0.53 -0.52 118.95 127.68 2wkl s ARG 433 Ca 0.04 1.87 0.03 0.00 -0.13 0.00 0.00 55.73 57.55 2wkl s ARG 433 Cb -0.09 -3.19 -0.04 0.00 -1.56 0.00 0.00 34.95 30.06 2wkl s ARG 433 CO 0.00 0.06 0.10 0.14 -0.81 0.00 0.00 175.30 174.80 2wkl s VAL 434 N -0.77 0.79 0.62 7.11 -7.23 -0.69 -0.91 120.40 119.32 2wkl s VAL 434 Ca 0.48 -2.00 -0.16 0.00 -1.81 0.00 0.00 61.98 58.49 2wkl s VAL 434 Cb -0.33 -2.56 -0.02 0.00 0.56 0.00 0.00 36.38 34.03 2wkl s VAL 434 CO 0.41 0.00 1.10 -0.83 -0.31 0.00 0.00 175.10 175.47 2wkl s GLY 435 N -3.51 2.23 -0.29 2.32 0.00 -0.95 -4.38 107.32 102.75 2wkl s GLY 435 Ca 0.31 0.56 0.03 0.00 0.00 0.00 0.00 44.72 45.62 2wkl s GLY 435 CO 0.15 0.90 0.47 -2.27 0.00 0.00 0.00 173.10 172.36 2wkl s LEU 436 N -4.59 -1.07 -0.11 0.66 2.96 -1.26 -1.39 118.68 113.87 2wkl s LEU 436 Ca 0.67 -0.08 -0.10 0.00 -0.22 0.00 0.00 54.13 54.39 2wkl s LEU 436 Cb -0.20 1.46 -0.05 0.00 0.50 0.00 0.00 46.19 47.90 2wkl s LEU 436 CO 0.38 -0.33 0.23 0.68 -1.32 0.00 0.00 176.35 175.99 2wkl s VAL 437 N 2.65 5.35 0.00 1.68 -7.23 -0.50 -4.84 120.40 117.52 2wkl s VAL 437 Ca 0.11 0.41 -0.20 0.00 -1.81 0.00 0.00 61.98 60.49 2wkl s VAL 437 Cb -0.12 -3.52 -0.06 0.00 0.56 0.00 0.00 36.38 33.24 2wkl s VAL 437 CO -0.27 0.54 0.57 0.00 -0.31 0.00 0.00 175.10 175.62 2wkl s ALA 438 N -0.56 3.52 -1.05 1.32 0.00 -1.26 -0.67 121.76 123.05 2wkl s ALA 438 Ca 0.16 -0.01 0.23 0.00 0.00 0.00 0.00 51.96 52.35 2wkl s ALA 438 Cb -0.13 -2.69 1.02 0.00 0.00 0.00 0.00 23.12 21.32 2wkl s ALA 438 CO 0.05 0.22 1.75 -1.13 0.00 0.00 0.00 175.76 176.65 2wkl n SER 439 N 2.55 0.00 -3.56 0.00 3.41 0.27 -4.92 113.62 111.37 2wkl n SER 439 Ca -0.08 0.43 -0.06 0.00 -0.26 0.00 0.00 58.87 58.90 2wkl n SER 439 Cb 0.51 -0.47 -0.02 0.00 -0.26 0.00 0.00 64.21 63.97 2wkl n SER 439 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2wkl s GLN 440 N -2.95 0.62 0.29 4.33 -2.07 -1.26 -4.94 119.66 113.68 2wkl s GLN 440 Ca 0.13 -0.24 -0.29 0.00 -1.82 0.00 0.00 55.36 53.13 2wkl s GLN 440 Cb 0.15 0.28 -0.13 0.00 -1.09 0.00 0.00 33.01 32.22 2wkl s GLN 440 CO 0.42 -0.27 1.31 1.17 -1.32 0.00 0.00 175.29 176.59 2wkl n LYS 441 N -0.20 1.99 -3.97 9.60 4.81 -1.26 -4.96 118.16 124.17 2wkl n LYS 441 Ca -0.05 0.70 -0.09 0.00 -0.87 0.00 0.00 58.31 58.00 2wkl n LYS 441 Cb 0.60 -2.29 -0.05 0.00 0.02 0.00 0.00 35.03 33.31 2wkl n LYS 441 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 2wkl s ASN 442 N -0.09 -0.11 0.00 3.14 2.20 -1.26 -5.04 114.94 113.79 2wkl s ASN 442 Ca 0.61 -0.87 0.24 0.00 -0.94 0.00 0.00 52.86 51.90 2wkl s ASN 442 Cb -0.62 0.59 0.67 0.00 -2.00 0.00 0.00 41.25 39.89 2wkl s ASN 442 CO 0.57 -1.14 1.52 0.47 -2.94 0.00 0.00 177.10 175.58 2wkl n ASP 443 N -0.38 2.20 -4.91 3.54 8.00 -1.26 -4.96 116.55 118.79 2wkl n ASP 443 Ca -0.03 -1.76 -0.29 0.00 0.71 0.00 0.00 54.79 53.42 2wkl n ASP 443 Cb 0.62 -0.09 -0.04 0.00 -0.02 0.00 0.00 41.12 41.59 2wkl n ASP 443 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2wkl s LEU 444 N -1.72 4.18 -0.17 0.64 1.43 -1.26 -4.50 118.68 117.28 2wkl s LEU 444 Ca 0.34 0.58 -0.09 0.00 -1.03 0.00 0.00 54.13 53.93 2wkl s LEU 444 Cb 0.20 -3.36 -0.05 0.00 0.03 0.00 0.00 46.19 43.01 2wkl s LEU 444 CO 0.30 -0.07 0.15 -1.81 0.23 0.00 0.00 176.35 175.14 2wkl s ASP 445 N -2.93 6.29 0.05 2.29 1.01 -0.62 -4.97 116.67 117.79 2wkl s ASP 445 Ca 0.41 0.33 0.03 0.00 0.71 0.00 0.00 52.55 54.03 2wkl s ASP 445 Cb -0.11 -2.09 -0.03 0.00 1.01 0.00 0.00 42.92 41.70 2wkl s ASP 445 CO 0.28 0.25 -0.08 0.00 0.21 0.00 0.00 175.17 175.83 2wkl s ALA 446 N -0.11 0.71 -0.05 5.23 0.00 -1.26 -0.87 121.76 125.40 2wkl s ALA 446 Ca 0.11 -0.88 -0.19 0.00 0.00 0.00 0.00 51.96 51.01 2wkl s ALA 446 Cb -0.12 0.04 0.04 0.00 0.00 0.00 0.00 23.12 23.08 2wkl s ALA 446 CO 0.00 -0.03 0.42 0.54 0.00 0.00 0.00 175.76 176.70 2wkl s VAL 447 N -1.68 0.03 0.00 0.00 0.11 -0.89 -5.00 120.40 112.98 2wkl s VAL 447 Ca -0.06 -0.28 0.06 0.00 -2.93 0.00 0.00 61.98 58.78 2wkl s VAL 447 Cb -0.08 -0.70 -0.02 0.00 -1.53 0.00 0.00 36.38 34.05 2wkl s VAL 447 CO -0.00 -0.15 -0.20 0.00 -3.33 0.00 0.00 175.10 171.42 2wkl s ALA 448 N -0.99 1.64 0.04 1.54 0.00 -1.26 -1.72 121.76 121.01 2wkl s ALA 448 Ca -0.10 -0.90 -0.00 0.00 0.00 0.00 0.00 51.96 50.95 2wkl s ALA 448 Cb -0.04 -0.38 -0.03 0.00 0.00 0.00 0.00 23.12 22.67 2wkl s ALA 448 CO 0.05 0.39 -0.04 -0.51 0.00 0.00 0.00 175.76 175.65 2wkl s LEU 449 N -0.69 2.37 -0.26 0.00 1.02 -0.05 -1.71 118.68 119.37 2wkl s LEU 449 Ca 0.07 -0.76 -0.08 0.00 0.02 0.00 0.00 54.13 53.38 2wkl s LEU 449 Cb -0.08 0.12 -0.03 0.00 0.02 0.00 0.00 46.19 46.22 2wkl s LEU 449 CO 0.00 -0.44 0.10 -0.04 0.02 0.00 0.00 176.35 175.99 2wkl s MET 450 N -2.73 3.72 0.71 1.70 -1.94 0.32 -0.40 119.30 120.68 2wkl s MET 450 Ca -0.03 -0.45 -0.16 0.00 -1.71 0.00 0.00 55.69 53.34 2wkl s MET 450 Cb -0.01 -3.40 -0.00 0.00 2.01 0.00 0.00 34.83 33.43 2wkl s MET 450 CO -0.05 -0.19 0.92 1.58 -0.01 0.00 0.00 175.02 177.27 2wkl n HIS 451 N 4.95 0.53 0.16 -0.03 -0.00 0.28 -1.03 115.22 120.08 2wkl n HIS 451 Ca -0.16 0.39 0.15 0.00 0.46 0.00 0.00 57.72 58.57 2wkl n HIS 451 Cb 0.52 -2.07 0.72 0.00 -0.12 0.00 0.00 29.99 29.04 2wkl n HIS 451 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 2wkl h PRO 452 N -0.18 0.00 0.00 1.57 0.11 -1.88 -1.60 132.00 130.02 2wkl h PRO 452 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2wkl h PRO 452 Cb 1.34 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.45 2wkl h PRO 452 CO 0.47 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.86 2wkl n ASP 453 N -4.26 0.00 0.00 -2.05 5.68 -1.26 -4.86 116.55 109.80 2wkl n ASP 453 Ca 0.02 -0.81 0.00 0.00 -0.50 0.00 0.00 54.79 53.50 2wkl n ASP 453 Cb 0.32 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.29 2wkl n ASP 453 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2wkl n GLY 454 N 0.68 1.30 3.89 6.12 0.00 -0.60 -5.04 105.19 111.54 2wkl n GLY 454 Ca 0.20 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.93 2wkl n GLY 454 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2wkl s SER 455 N -1.73 6.32 0.22 1.61 1.04 -1.26 -4.56 113.70 115.34 2wkl s SER 455 Ca 0.00 1.10 -0.24 0.00 0.48 0.00 0.00 55.95 57.28 2wkl s SER 455 Cb 0.00 -2.32 -0.09 0.00 0.10 0.00 0.00 66.02 63.72 2wkl s SER 455 CO 0.00 -0.61 0.81 0.00 0.98 0.00 0.00 173.24 174.42 2wkl s ALA 456 N -2.76 3.38 -0.08 5.32 0.00 -0.69 -0.56 121.76 126.38 2wkl s ALA 456 Ca 0.50 0.36 0.02 0.00 0.00 0.00 0.00 51.96 52.85 2wkl s ALA 456 Cb -0.10 -2.99 0.01 0.00 0.00 0.00 0.00 23.12 20.04 2wkl s ALA 456 CO 0.44 0.27 -0.15 0.08 0.00 0.00 0.00 175.76 176.40 2wkl s VAL 457 N -1.34 1.36 -0.09 0.00 1.01 0.47 -2.90 120.40 118.90 2wkl s VAL 457 Ca 0.41 -0.60 -0.01 0.00 0.00 0.00 0.00 61.98 61.79 2wkl s VAL 457 Cb -0.21 -1.23 0.03 0.00 0.00 0.00 0.00 36.38 34.96 2wkl s VAL 457 CO 0.25 0.41 -0.04 -0.69 0.00 0.00 0.00 175.10 175.03 2wkl s VAL 458 N 0.72 0.71 -0.22 2.92 1.01 0.10 -0.88 120.40 124.77 2wkl s VAL 458 Ca -0.13 -0.10 -0.10 0.00 0.00 0.00 0.00 61.98 61.66 2wkl s VAL 458 Cb -0.16 -0.79 -0.05 0.00 0.00 0.00 0.00 36.38 35.39 2wkl s VAL 458 CO 0.03 0.31 0.13 -0.69 0.00 0.00 0.00 175.10 174.88 2wkl s VAL 459 N 1.76 5.19 -0.19 2.92 1.01 -0.70 0.35 120.40 130.74 2wkl s VAL 459 Ca 0.04 0.12 0.01 0.00 0.00 0.00 0.00 61.98 62.15 2wkl s VAL 459 Cb -0.13 -3.40 0.02 0.00 0.00 0.00 0.00 36.38 32.88 2wkl s VAL 459 CO -0.06 0.38 -0.19 -0.69 0.00 0.00 0.00 175.10 174.54 2wkl s VAL 460 N 0.87 2.10 -0.16 2.92 1.01 0.05 -2.10 120.40 125.09 2wkl s VAL 460 Ca 0.07 -0.99 -0.06 0.00 0.00 0.00 0.00 61.98 61.00 2wkl s VAL 460 Cb -0.13 -1.91 -0.04 0.00 0.00 0.00 0.00 36.38 34.30 2wkl s VAL 460 CO 0.03 0.49 0.03 -0.22 0.00 0.00 0.00 175.10 175.42 2wkl s LEU 461 N 1.28 3.62 -0.42 3.92 2.96 -0.05 -0.53 118.68 129.46 2wkl s LEU 461 Ca 0.04 0.02 -0.00 0.00 -0.22 0.00 0.00 54.13 53.97 2wkl s LEU 461 Cb -0.14 -1.89 0.11 0.00 0.50 0.00 0.00 46.19 44.77 2wkl s LEU 461 CO -0.12 0.19 0.19 0.21 -1.32 0.00 0.00 176.35 175.50 2wkl s ASN 462 N 0.24 5.04 0.00 3.68 3.84 -0.03 -1.60 114.94 126.12 2wkl s ASN 462 Ca 0.02 -2.23 0.28 0.00 0.21 0.00 0.00 52.86 51.14 2wkl s ASN 462 Cb -0.13 -1.76 1.12 0.00 -0.55 0.00 0.00 41.25 39.93 2wkl s ASN 462 CO 0.01 -0.45 1.81 0.54 -2.79 0.00 0.00 177.10 176.22 2wkl n ARG 463 N 4.27 0.37 -2.45 0.43 1.74 -1.26 -2.11 116.66 117.65 2wkl n ARG 463 Ca 0.01 -0.11 -0.24 0.00 -0.77 0.00 0.00 57.85 56.74 2wkl n ARG 463 Cb 0.40 -1.50 0.08 0.00 -1.02 0.00 0.00 32.46 30.43 2wkl n ARG 463 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2wkl s SER 464 N -2.71 4.63 0.00 0.55 1.04 -1.26 -4.77 113.70 111.18 2wkl s SER 464 Ca 0.22 -0.00 0.23 0.00 0.48 0.00 0.00 55.95 56.88 2wkl s SER 464 Cb 0.19 -0.57 0.41 0.00 0.10 0.00 0.00 66.02 66.16 2wkl s SER 464 CO 0.53 -1.66 1.39 -1.54 0.98 0.00 0.00 173.24 172.94 2wkl n SER 465 N -2.79 3.23 -4.50 7.02 3.41 -1.26 -1.15 113.62 117.59 2wkl n SER 465 Ca 0.11 -1.97 -0.34 0.00 -0.26 0.00 0.00 58.87 56.41 2wkl n SER 465 Cb 0.60 -0.19 -0.12 0.00 -0.26 0.00 0.00 64.21 64.24 2wkl n SER 465 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2wkl s LYS 466 N -1.63 3.63 0.14 4.33 3.01 -1.26 -4.49 119.74 123.48 2wkl s LYS 466 Ca 0.36 -0.52 -0.35 0.00 -1.01 0.00 0.00 55.97 54.45 2wkl s LYS 466 Cb 0.22 -2.89 -0.15 0.00 -1.01 0.00 0.00 37.83 34.00 2wkl s LYS 466 CO 0.31 0.26 1.49 -0.25 0.51 0.00 0.00 175.35 177.67 2wkl n ASP 467 N 3.47 2.61 -4.10 2.83 9.92 -1.26 -3.87 116.55 126.16 2wkl n ASP 467 Ca -0.17 1.10 -0.33 0.00 -0.53 0.00 0.00 54.79 54.85 2wkl n ASP 467 Cb 0.52 -1.35 -0.14 0.00 -0.64 0.00 0.00 41.12 39.51 2wkl n ASP 467 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 2wkl s VAL 468 N 0.71 2.49 0.36 2.53 1.01 0.03 -4.90 120.40 122.63 2wkl s VAL 468 Ca 0.80 -1.61 -0.27 0.00 0.00 0.00 0.00 61.98 60.89 2wkl s VAL 468 Cb -0.76 -2.48 -0.09 0.00 0.00 0.00 0.00 36.38 33.04 2wkl s VAL 468 CO 0.41 -0.11 1.21 -2.16 0.00 0.00 0.00 175.10 174.45 2wkl s PRO 469 N 1.14 4.24 0.17 2.72 0.04 -1.26 -0.42 135.00 141.62 2wkl s PRO 469 Ca -0.06 1.97 -0.14 0.00 0.04 0.00 0.00 61.00 62.81 2wkl s PRO 469 Cb -0.20 -2.89 0.02 0.00 0.04 0.00 0.00 34.50 31.47 2wkl s PRO 469 CO -0.04 -0.20 0.42 -0.48 0.04 0.00 0.00 177.00 176.73 2wkl s LEU 470 N -2.10 0.45 -0.03 -3.56 2.34 -0.52 -4.09 118.68 111.17 2wkl s LEU 470 Ca 0.52 -0.56 0.06 0.00 0.06 0.00 0.00 54.13 54.22 2wkl s LEU 470 Cb -0.34 1.77 -0.01 0.00 -0.56 0.00 0.00 46.19 47.05 2wkl s LEU 470 CO 0.44 -0.95 -0.22 -0.89 -1.06 0.00 0.00 176.35 173.67 2wkl s THR 471 N -3.88 1.76 -0.11 5.48 2.01 -0.27 -1.87 115.64 118.76 2wkl s THR 471 Ca 0.10 -0.94 0.02 0.00 0.31 0.00 0.00 61.69 61.18 2wkl s THR 471 Cb 0.01 -1.47 -0.01 0.00 0.01 0.00 0.00 72.50 71.04 2wkl s THR 471 CO -0.05 0.50 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.56 2wkl s ILE 472 N -0.38 2.53 -0.09 1.82 1.01 -0.68 -1.15 121.20 124.26 2wkl s ILE 472 Ca 0.05 -0.86 0.01 0.00 0.00 0.00 0.00 60.65 59.85 2wkl s ILE 472 Cb -0.10 -2.01 -0.02 0.00 0.01 0.00 0.00 42.46 40.34 2wkl s ILE 472 CO 0.00 0.55 -0.11 -0.75 0.00 0.00 0.00 174.94 174.63 2wkl s LYS 473 N 0.24 2.93 -0.26 2.79 2.20 -0.05 0.01 119.74 127.61 2wkl s LYS 473 Ca -0.13 -0.63 -0.03 0.00 -0.36 0.00 0.00 55.97 54.82 2wkl s LYS 473 Cb -0.16 -2.56 0.02 0.00 -1.51 0.00 0.00 37.83 33.62 2wkl s LYS 473 CO 0.07 0.48 -0.03 0.34 -0.36 0.00 0.00 175.35 175.85 2wkl s ASP 474 N -0.34 4.53 0.44 1.43 -1.08 -0.71 -0.58 116.67 120.35 2wkl s ASP 474 Ca 0.04 -0.85 0.25 0.00 -0.52 0.00 0.00 52.55 51.47 2wkl s ASP 474 Cb -0.13 -1.72 1.27 0.00 -1.46 0.00 0.00 42.92 40.89 2wkl s ASP 474 CO 0.02 -0.15 1.75 -0.65 0.52 0.00 0.00 175.17 176.67 2wkl h PRO 475 N 8.06 0.24 -0.00 4.34 0.11 -1.85 0.12 132.00 143.02 2wkl h PRO 475 Ca -0.32 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.78 2wkl h PRO 475 Cb 1.11 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.17 2wkl h PRO 475 CO 0.58 0.16 -0.24 0.00 -0.21 0.00 0.00 178.00 178.28 2wkl n ALA 476 N -2.56 2.94 0.00 -0.75 0.00 -1.26 -4.60 120.51 114.28 2wkl n ALA 476 Ca 0.28 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.48 2wkl n ALA 476 Cb 1.08 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 19.23 2wkl n ALA 476 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2wkl n VAL 477 N -1.45 0.00 -0.14 0.00 0.31 0.30 -4.97 118.33 112.38 2wkl n VAL 477 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.40 2wkl n VAL 477 Cb 0.33 -0.78 0.00 0.00 -0.91 0.00 0.00 33.84 32.48 2wkl n VAL 477 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2wkl n GLY 478 N 2.40 0.50 3.29 2.92 0.00 -0.46 -4.76 105.19 109.09 2wkl n GLY 478 Ca 0.00 -1.47 -0.32 0.00 0.00 0.00 0.00 46.02 44.24 2wkl n GLY 478 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2wkl s PHE 479 N -3.83 2.51 -0.48 1.61 0.40 0.16 -1.74 117.98 116.62 2wkl s PHE 479 Ca 0.00 -0.70 -0.09 0.00 -0.60 0.00 0.00 56.93 55.54 2wkl s PHE 479 Cb 0.00 -1.64 0.12 0.00 0.51 0.00 0.00 43.02 42.01 2wkl s PHE 479 CO 0.00 -0.20 0.35 -1.17 0.70 0.00 0.00 175.22 174.90 2wkl s LEU 480 N -0.12 5.72 -0.21 -0.37 0.20 0.10 -1.48 118.68 122.53 2wkl s LEU 480 Ca -0.04 -1.92 -0.29 0.00 0.69 0.00 0.00 54.13 52.57 2wkl s LEU 480 Cb -0.14 -2.02 0.00 0.00 -0.43 0.00 0.00 46.19 43.60 2wkl s LEU 480 CO 0.04 -0.70 1.08 -1.61 -0.29 0.00 0.00 176.35 174.87 2wkl s GLU 481 N 1.36 4.26 0.33 1.98 0.41 -1.26 -1.69 118.70 124.10 2wkl s GLU 481 Ca 0.06 1.42 -0.05 0.00 -0.41 0.00 0.00 54.97 55.99 2wkl s GLU 481 Cb -0.26 -3.66 0.01 0.00 -1.78 0.00 0.00 34.13 28.44 2wkl s GLU 481 CO -0.01 -0.63 0.50 -0.08 -0.49 0.00 0.00 175.26 174.56 2wkl s THR 482 N 3.18 0.00 -0.01 3.63 -1.32 -0.78 -5.04 115.64 115.29 2wkl s THR 482 Ca 0.46 -1.53 0.03 0.00 -1.21 0.00 0.00 61.69 59.45 2wkl s THR 482 Cb -0.16 -2.61 -0.01 0.00 -1.51 0.00 0.00 72.50 68.21 2wkl s THR 482 CO 0.08 0.00 -0.11 -0.63 -2.21 0.00 0.00 174.62 171.76 2wkl s ILE 483 N -3.11 0.86 -0.50 5.08 1.01 -1.26 -1.44 121.20 121.84 2wkl s ILE 483 Ca 0.28 -0.45 -0.09 0.00 0.00 0.00 0.00 60.65 60.39 2wkl s ILE 483 Cb -0.01 -0.72 0.13 0.00 0.01 0.00 0.00 42.46 41.87 2wkl s ILE 483 CO 0.18 0.25 0.37 -0.55 0.00 0.00 0.00 174.94 175.19 2wkl s SER 484 N -0.16 5.73 0.56 3.58 0.15 0.44 -4.95 113.70 119.06 2wkl s SER 484 Ca 0.03 -2.01 -0.20 0.00 0.70 0.00 0.00 55.95 54.46 2wkl s SER 484 Cb -0.05 -2.01 -0.05 0.00 -1.71 0.00 0.00 66.02 62.19 2wkl s SER 484 CO -0.00 -0.67 1.13 -2.65 1.20 0.00 0.00 173.24 172.25 2wkl n PRO 485 N 4.78 1.26 -1.67 5.44 -0.02 -1.26 -0.79 135.00 142.74 2wkl n PRO 485 Ca -0.06 0.47 -0.43 0.00 -2.02 0.00 0.00 63.50 61.46 2wkl n PRO 485 Cb 0.41 -2.32 -0.01 0.00 -0.02 0.00 0.00 33.50 31.56 2wkl n PRO 485 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wkl n GLY 486 N 1.06 0.35 3.48 -1.23 0.00 -1.25 -2.92 105.19 104.68 2wkl n GLY 486 Ca 0.12 0.33 -0.23 0.00 0.00 0.00 0.00 46.02 46.23 2wkl n GLY 486 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2wkl n TYR 487 N 0.36 -2.17 -4.06 1.61 0.53 -0.30 -4.74 117.16 108.40 2wkl n TYR 487 Ca 0.06 0.67 -0.07 0.00 -1.02 0.00 0.00 57.90 57.53 2wkl n TYR 487 Cb 0.35 -3.83 -0.10 0.00 -1.03 0.00 0.00 39.34 34.73 2wkl n TYR 487 CO 0.00 0.00 0.00 -1.54 -1.02 0.00 0.00 176.86 174.30 2wkl s SER 488 N -3.50 0.43 -0.03 7.72 1.04 -1.15 -1.10 113.70 117.12 2wkl s SER 488 Ca 0.43 -0.91 0.04 0.00 0.48 0.00 0.00 55.95 56.00 2wkl s SER 488 Cb -0.11 0.20 -0.00 0.00 0.10 0.00 0.00 66.02 66.21 2wkl s SER 488 CO 0.80 -0.57 -0.14 -0.51 0.98 0.00 0.00 173.24 173.80 2wkl s ILE 489 N -3.58 1.15 0.01 -1.02 2.07 0.00 -0.85 121.20 118.98 2wkl s ILE 489 Ca 0.04 -0.57 0.07 0.00 -1.41 0.00 0.00 60.65 58.78 2wkl s ILE 489 Cb 0.05 -0.99 -0.02 0.00 0.13 0.00 0.00 42.46 41.63 2wkl s ILE 489 CO -0.09 0.34 -0.21 -1.00 -1.91 0.00 0.00 174.94 172.06 2wkl s HIS 490 N 0.01 1.90 -0.14 3.50 3.76 0.31 -1.22 115.29 123.40 2wkl s HIS 490 Ca -0.02 -0.37 0.02 0.00 -0.15 0.00 0.00 55.06 54.54 2wkl s HIS 490 Cb -0.09 -1.18 0.01 0.00 1.11 0.00 0.00 32.58 32.43 2wkl s HIS 490 CO 0.01 0.03 -0.20 0.99 -0.85 0.00 0.00 174.74 174.72 2wkl s THR 491 N -0.65 2.20 -0.16 1.30 2.01 -0.04 -0.77 115.64 119.52 2wkl s THR 491 Ca 0.08 -0.93 -0.04 0.00 0.31 0.00 0.00 61.69 61.11 2wkl s THR 491 Cb -0.09 -1.89 -0.03 0.00 0.01 0.00 0.00 72.50 70.50 2wkl s THR 491 CO 0.01 0.54 -0.01 -0.31 -0.69 0.00 0.00 174.62 174.15 2wkl s TYR 492 N 0.83 3.08 0.02 4.92 1.51 0.15 -1.36 117.35 126.51 2wkl s TYR 492 Ca -0.06 -0.18 0.08 0.00 -1.01 0.00 0.00 57.07 55.90 2wkl s TYR 492 Cb -0.15 -1.97 -0.03 0.00 -0.11 0.00 0.00 41.96 39.70 2wkl s TYR 492 CO -0.02 0.04 -0.25 -0.51 -1.11 0.00 0.00 175.55 173.71 2wkl s LEU 493 N 0.28 2.20 -0.10 -1.29 1.43 -0.23 0.03 118.68 121.00 2wkl s LEU 493 Ca -0.01 -0.52 -0.28 0.00 -1.03 0.00 0.00 54.13 52.29 2wkl s LEU 493 Cb -0.14 -1.34 0.06 0.00 0.03 0.00 0.00 46.19 44.81 2wkl s LEU 493 CO 0.02 0.28 0.65 -1.66 0.23 0.00 0.00 176.35 175.87 2wkl s TRP 494 N -0.75 -0.64 0.37 0.29 -2.14 -1.14 -0.48 118.94 114.44 2wkl s TRP 494 Ca 0.11 1.24 -0.25 0.00 2.66 0.00 0.00 56.10 59.87 2wkl s TRP 494 Cb -0.10 0.34 -0.09 0.00 -3.10 0.00 0.00 33.47 30.52 2wkl s TRP 494 CO 0.01 -0.52 1.03 0.50 -2.66 0.00 0.00 176.95 175.32 2wkl s ARG 495 N -0.78 4.28 -0.01 3.25 3.52 -1.26 -1.70 118.95 126.26 2wkl s ARG 495 Ca -0.08 1.50 0.19 0.00 -0.13 0.00 0.00 55.73 57.20 2wkl s ARG 495 Cb -0.02 -2.64 -0.24 0.00 -1.56 0.00 0.00 34.95 30.49 2wkl s ARG 495 CO 0.07 -0.03 0.61 0.54 -0.81 0.00 0.00 175.30 175.68 2wkl n ARG 496 N 0.15 0.77 0.00 5.12 1.74 -1.26 -4.56 116.66 118.62 2wkl n ARG 496 Ca 0.04 -0.08 0.00 0.00 -0.77 0.00 0.00 57.85 57.04 2wkl n ARG 496 Cb 0.49 -1.40 0.00 0.00 -1.02 0.00 0.00 32.46 30.53 2wkl n ARG 496 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11