#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 0.40 0.39 0.00 6.06 -0.84 -4.88 118.95 120.08 2wkl s ARG 2 Ca 0.00 0.86 -0.13 0.00 -2.50 0.00 0.00 55.73 53.96 2wkl s ARG 2 Cb 0.00 0.05 -0.08 0.00 0.06 0.00 0.00 34.95 34.98 2wkl s ARG 2 CO 0.00 -0.17 0.79 -1.25 -2.50 0.00 0.00 175.30 172.17 2wkl s PRO 3 N 1.63 3.89 0.01 5.12 0.04 -1.26 -1.05 135.00 143.38 2wkl s PRO 3 Ca -0.08 0.62 -0.36 0.00 0.04 0.00 0.00 61.00 61.21 2wkl s PRO 3 Cb -0.09 -2.36 -0.15 0.00 0.04 0.00 0.00 34.50 31.94 2wkl s PRO 3 CO -0.13 -0.00 1.55 0.00 0.04 0.00 0.00 177.00 178.45 2wkl s ILE 5 N 1.65 4.49 0.25 0.00 -1.09 -1.26 -4.98 121.20 120.26 2wkl s ILE 5 Ca 0.87 0.69 -0.12 0.00 -2.23 0.00 0.00 60.65 59.86 2wkl s ILE 5 Cb -0.88 -4.42 -0.08 0.00 -1.58 0.00 0.00 42.46 35.50 2wkl s ILE 5 CO 0.49 -0.83 0.62 -2.16 -1.23 0.00 0.00 174.94 171.83 2wkl s PRO 6 N 3.70 3.90 -0.13 2.79 0.04 -1.26 -0.54 135.00 143.50 2wkl s PRO 6 Ca 0.36 0.45 -0.10 0.00 0.04 0.00 0.00 61.00 61.74 2wkl s PRO 6 Cb -0.10 -2.61 0.04 0.00 0.04 0.00 0.00 34.50 31.86 2wkl s PRO 6 CO 0.26 0.28 0.33 0.21 0.04 0.00 0.00 177.00 178.12 2wkl s LYS 7 N -2.75 0.36 0.04 4.56 2.20 -0.80 -4.90 119.74 118.45 2wkl s LYS 7 Ca 0.48 0.50 -0.04 0.00 -0.36 0.00 0.00 55.97 56.56 2wkl s LYS 7 Cb -0.11 0.13 -0.05 0.00 -1.51 0.00 0.00 37.83 36.29 2wkl s LYS 7 CO 0.20 -0.07 0.26 0.45 -0.36 0.00 0.00 175.35 175.83 2wkl s SER 8 N 0.44 6.44 -0.06 1.43 0.15 -1.26 -1.46 113.70 119.38 2wkl s SER 8 Ca -0.02 0.46 0.09 0.00 0.70 0.00 0.00 55.95 57.19 2wkl s SER 8 Cb -0.04 -2.05 0.14 0.00 -1.71 0.00 0.00 66.02 62.37 2wkl s SER 8 CO -0.02 0.19 1.06 0.49 1.20 0.00 0.00 173.24 176.16 2wkl n PHE 9 N 0.69 0.00 -0.03 3.44 3.01 -1.26 -4.97 117.46 118.34 2wkl n PHE 9 Ca -0.08 -0.51 0.00 0.00 1.01 0.00 0.00 57.45 57.87 2wkl n PHE 9 Cb 0.52 -0.10 0.00 0.00 -0.01 0.00 0.00 39.48 39.89 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 -0.72 0.45 0.00 1.37 0.00 -1.26 -4.92 105.19 100.10 2wkl n GLY 10 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 -2.19 0.79 1.61 4.02 -1.26 -5.01 117.16 113.11 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 0.51 0.00 -0.02 0.00 0.00 39.34 39.83 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 -2.18 0.27 -2.43 7.72 3.41 -1.26 -4.84 113.62 114.32 2wkl n SER 12 Ca 0.00 0.53 -0.10 0.00 -0.26 0.00 0.00 58.87 59.04 2wkl n SER 12 Cb 0.00 -0.60 -0.02 0.00 -0.26 0.00 0.00 64.21 63.33 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 -1.76 -1.01 -4.87 4.04 2.88 -0.36 -4.81 113.62 107.73 2wkl n SER 13 Ca 0.06 -2.35 -0.21 0.00 -1.33 0.00 0.00 58.87 55.04 2wkl n SER 13 Cb 0.33 1.88 -0.03 0.00 -0.75 0.00 0.00 64.21 65.64 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 -2.69 3.00 0.32 2.46 -7.23 -1.26 -4.34 120.40 110.66 2wkl s VAL 14 Ca 0.20 -1.34 0.08 0.00 -1.81 0.00 0.00 61.98 59.11 2wkl s VAL 14 Cb -0.01 -3.07 -0.03 0.00 0.56 0.00 0.00 36.38 33.83 2wkl s VAL 14 CO 0.15 -0.07 0.23 0.68 -0.31 0.00 0.00 175.10 175.78 2wkl s VAL 15 N -2.41 3.56 -0.29 1.32 -7.23 -0.53 -4.46 120.40 110.36 2wkl s VAL 15 Ca 0.46 -1.48 -0.10 0.00 -1.81 0.00 0.00 61.98 59.05 2wkl s VAL 15 Cb -0.04 -3.16 -0.02 0.00 0.56 0.00 0.00 36.38 33.72 2wkl s VAL 15 CO 0.28 -0.21 0.16 0.00 -0.31 0.00 0.00 175.10 175.01 2wkl s VAL 17 N 1.66 4.82 0.17 0.00 1.01 0.30 -1.87 120.40 126.50 2wkl s VAL 17 Ca 0.06 1.97 0.11 0.00 0.00 0.00 0.00 61.98 64.12 2wkl s VAL 17 Cb -0.16 -4.28 -0.04 0.00 0.00 0.00 0.00 36.38 31.89 2wkl s VAL 17 CO 0.07 0.05 -0.24 0.00 0.00 0.00 0.00 175.10 174.98 2wkl n ASN 19 N 0.44 0.00 0.24 0.00 0.23 0.22 -1.23 115.26 115.16 2wkl n ASN 19 Ca -0.14 0.00 0.08 0.00 -0.53 0.00 0.00 54.58 53.99 2wkl n ASN 19 Cb 0.55 0.00 0.60 0.00 -2.08 0.00 0.00 39.78 38.85 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 1.29 1.50 -0.00 -2.53 0.00 -1.90 -3.21 119.26 114.40 2wkl h ALA 20 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2wkl h ALA 20 Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2wkl h ALA 20 CO 0.00 0.21 -0.04 0.25 0.00 0.00 0.00 179.25 179.66 2wkl n THR 21 N -4.01 0.00 -3.79 0.00 -2.24 -1.26 -4.16 114.28 98.82 2wkl n THR 21 Ca -0.02 -0.48 -0.13 0.00 -2.27 0.00 0.00 64.05 61.15 2wkl n THR 21 Cb 0.25 1.04 -0.11 0.00 -2.10 0.00 0.00 70.33 69.41 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 -0.58 -0.23 -0.28 4.78 5.04 -1.21 -5.15 117.35 119.72 2wkl s TYR 22 Ca 0.03 0.52 -0.23 0.00 -2.44 0.00 0.00 57.07 54.95 2wkl s TYR 22 Cb 0.02 0.08 0.11 0.00 0.35 0.00 0.00 41.96 42.52 2wkl s TYR 22 CO 0.06 -0.19 0.90 0.00 -1.34 0.00 0.00 175.55 174.98 2wkl n ASP 24 N 2.79 2.55 -3.69 0.00 5.75 -1.26 -4.79 116.55 117.91 2wkl n ASP 24 Ca -0.15 0.96 -0.10 0.00 -0.01 0.00 0.00 54.79 55.50 2wkl n ASP 24 Cb 0.56 -1.56 -0.05 0.00 -1.03 0.00 0.00 41.12 39.04 2wkl n ASP 24 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 2wkl s SER 25 N -0.94 -0.22 0.23 -1.12 1.04 -0.22 -4.92 113.70 107.55 2wkl s SER 25 Ca 0.72 -0.40 0.02 0.00 0.48 0.00 0.00 55.95 56.77 2wkl s SER 25 Cb -0.42 0.50 -0.03 0.00 0.10 0.00 0.00 66.02 66.16 2wkl s SER 25 CO 0.49 -0.91 0.39 -0.36 0.98 0.00 0.00 173.24 173.83 2wkl s PHE 26 N -3.83 3.47 0.74 5.02 0.40 -0.00 -1.98 117.98 121.79 2wkl s PHE 26 Ca 0.06 0.16 -0.12 0.00 -0.60 0.00 0.00 56.93 56.43 2wkl s PHE 26 Cb 0.01 -1.71 0.03 0.00 0.51 0.00 0.00 43.02 41.86 2wkl s PHE 26 CO -0.09 0.38 1.12 -0.51 0.70 0.00 0.00 175.22 176.83 2wkl s ASP 27 N -3.65 5.15 0.46 1.36 1.01 -1.26 -4.33 116.67 115.41 2wkl s ASP 27 Ca 0.36 1.01 -0.23 0.00 0.71 0.00 0.00 52.55 54.41 2wkl s ASP 27 Cb -0.10 -1.72 -0.07 0.00 1.01 0.00 0.00 42.92 42.04 2wkl s ASP 27 CO 0.30 -1.51 1.16 -2.84 0.21 0.00 0.00 175.17 172.49 2wkl s PRO 28 N -5.42 3.78 0.44 8.23 0.02 -1.26 -4.88 135.00 135.91 2wkl s PRO 28 Ca 0.59 1.76 -0.25 0.00 0.02 0.00 0.00 61.00 63.12 2wkl s PRO 28 Cb -0.11 -2.42 -0.09 0.00 0.02 0.00 0.00 34.50 31.90 2wkl s PRO 28 CO 0.51 -0.53 1.31 -2.30 -0.33 0.00 0.00 177.00 175.67 2wkl n PRO 29 N -0.46 1.99 0.00 5.54 -0.02 -1.26 -5.17 135.00 135.62 2wkl n PRO 29 Ca 0.07 0.71 0.00 0.00 -2.02 0.00 0.00 63.50 62.26 2wkl n PRO 29 Cb 0.48 -2.46 0.00 0.00 -0.02 0.00 0.00 33.50 31.50 2wkl n PRO 29 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 2wkl n THR 30 N -0.26 0.00 -3.66 3.45 5.66 -1.26 -5.26 114.28 112.94 2wkl n THR 30 Ca 0.06 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 60.98 2wkl n THR 30 Cb 0.40 0.00 -0.09 0.00 -1.55 0.00 0.00 70.33 69.10 2wkl n THR 30 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 175.07 169.86 2wkl s PRO 32 N 1.24 0.58 0.46 1.09 0.04 -1.26 -5.19 135.00 131.96 2wkl s PRO 32 Ca 0.00 1.02 -0.21 0.00 0.04 0.00 0.00 61.00 61.84 2wkl s PRO 32 Cb 0.00 0.09 -0.09 0.00 0.04 0.00 0.00 34.50 34.54 2wkl s PRO 32 CO 0.00 -0.15 1.04 0.00 0.04 0.00 0.00 177.00 177.93 2wkl s ALA 33 N 1.43 2.95 0.18 8.56 0.00 -1.26 -4.73 121.76 128.88 2wkl s ALA 33 Ca -0.09 0.62 -0.32 0.00 0.00 0.00 0.00 51.96 52.18 2wkl s ALA 33 Cb -0.06 -3.25 -0.16 0.00 0.00 0.00 0.00 23.12 19.64 2wkl s ALA 33 CO -0.15 -0.25 0.96 -0.11 0.00 0.00 0.00 175.76 176.20 2wkl n LEU 34 N -0.68 0.64 0.00 0.00 0.00 -1.26 -0.51 117.00 115.19 2wkl n LEU 34 Ca 0.08 1.15 0.00 0.00 0.00 0.00 0.00 56.01 57.24 2wkl n LEU 34 Cb 0.52 -1.12 0.00 0.00 0.00 0.00 0.00 43.42 42.82 2wkl n LEU 34 CO 0.41 -1.84 0.00 0.61 0.00 0.00 0.00 177.39 176.57 2wkl n GLY 35 N 1.80 1.38 3.56 -3.96 0.00 -1.26 -5.05 105.19 101.67 2wkl n GLY 35 Ca 0.16 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.41 2.59 0.06 2.61 -4.23 0.34 -0.28 115.64 114.32 2wkl s THR 36 Ca 0.00 -2.16 0.05 0.00 -1.18 0.00 0.00 61.69 58.40 2wkl s THR 36 Cb 0.00 -2.61 -0.03 0.00 1.34 0.00 0.00 72.50 71.21 2wkl s THR 36 CO 0.00 -0.29 -0.15 0.72 -0.54 0.00 0.00 174.62 174.37 2wkl s PHE 37 N -2.51 1.26 -0.05 3.99 -0.12 -0.31 -4.39 117.98 115.85 2wkl s PHE 37 Ca 0.32 -0.41 -0.04 0.00 -0.05 0.00 0.00 56.93 56.75 2wkl s PHE 37 Cb -0.02 -0.73 -0.04 0.00 -0.63 0.00 0.00 43.02 41.61 2wkl s PHE 37 CO 0.17 0.06 0.15 -1.12 -0.05 0.00 0.00 175.22 174.44 2wkl s SER 38 N -1.51 6.30 -0.08 1.98 0.01 0.20 -1.64 113.70 118.97 2wkl s SER 38 Ca 0.00 0.38 -0.00 0.00 1.31 0.00 0.00 55.95 57.63 2wkl s SER 38 Cb -0.09 -1.99 0.03 0.00 0.21 0.00 0.00 66.02 64.18 2wkl s SER 38 CO 0.02 0.32 -0.03 -0.60 0.41 0.00 0.00 173.24 173.36 2wkl s ARG 39 N -1.54 0.94 -0.23 12.44 3.52 0.23 -0.92 118.95 133.39 2wkl s ARG 39 Ca 0.22 -0.05 -0.10 0.00 -0.13 0.00 0.00 55.73 55.67 2wkl s ARG 39 Cb -0.12 -1.12 -0.05 0.00 -1.56 0.00 0.00 34.95 32.10 2wkl s ARG 39 CO 0.12 -0.23 0.14 0.71 -0.81 0.00 0.00 175.30 175.23 2wkl s TYR 40 N 1.62 3.32 -0.10 5.12 1.51 -0.13 -0.71 117.35 127.99 2wkl s TYR 40 Ca 0.01 0.21 0.04 0.00 -1.01 0.00 0.00 57.07 56.31 2wkl s TYR 40 Cb -0.13 -2.22 0.00 0.00 -0.11 0.00 0.00 41.96 39.50 2wkl s TYR 40 CO -0.05 0.11 -0.23 -2.00 -1.11 0.00 0.00 175.55 172.27 2wkl s GLU 41 N 0.85 2.96 -0.05 -0.62 2.12 -0.54 -0.98 118.70 122.44 2wkl s GLU 41 Ca 0.07 -0.85 0.05 0.00 0.36 0.00 0.00 54.97 54.60 2wkl s GLU 41 Cb -0.13 -2.24 -0.01 0.00 0.26 0.00 0.00 34.13 32.01 2wkl s GLU 41 CO 0.03 0.17 -0.21 -1.12 -0.54 0.00 0.00 175.26 173.59 2wkl s SER 42 N 0.35 2.59 0.07 -1.70 0.01 -0.56 -1.37 113.70 113.10 2wkl s SER 42 Ca -0.18 -0.43 0.07 0.00 1.31 0.00 0.00 55.95 56.72 2wkl s SER 42 Cb -0.18 -0.75 -0.03 0.00 0.21 0.00 0.00 66.02 65.27 2wkl s SER 42 CO 0.09 0.19 -0.19 0.42 0.41 0.00 0.00 173.24 174.15 2wkl s THR 43 N -0.02 1.55 0.49 1.44 -4.23 -0.20 -1.74 115.64 112.93 2wkl s THR 43 Ca -0.05 -1.35 0.27 0.00 -1.18 0.00 0.00 61.69 59.38 2wkl s THR 43 Cb -0.13 -1.40 0.45 0.00 1.34 0.00 0.00 72.50 72.76 2wkl s THR 43 CO 0.03 0.00 1.87 -0.09 -0.54 0.00 0.00 174.62 175.89 2wkl h ARG 44 N 4.43 0.14 0.00 3.99 2.43 -1.76 0.02 114.38 123.64 2wkl h ARG 44 Ca -0.43 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.73 2wkl h ARG 44 Cb 1.18 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.69 2wkl h ARG 44 CO 0.41 0.09 0.00 -1.13 -1.51 0.00 0.00 179.97 177.84 2wkl n SER 45 N -4.36 0.00 0.00 -3.80 3.41 -1.26 -4.56 113.62 103.05 2wkl n SER 45 Ca 0.19 -0.93 0.00 0.00 -0.26 0.00 0.00 58.87 57.87 2wkl n SER 45 Cb 0.89 -0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.84 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 0.87 1.01 3.74 5.00 0.00 -0.01 -5.03 105.19 110.77 2wkl n GLY 46 Ca 0.22 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.83 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 4.48 -0.32 1.61 0.52 -1.20 -4.84 118.95 119.20 2wkl s ARG 47 Ca 0.00 1.90 0.02 0.00 -0.52 0.00 0.00 55.73 57.13 2wkl s ARG 47 Cb 0.00 -3.23 0.09 0.00 0.52 0.00 0.00 34.95 32.33 2wkl s ARG 47 CO 0.00 -0.10 0.05 1.03 0.02 0.00 0.00 175.30 176.30 2wkl s ARG 48 N -0.27 1.29 -1.51 3.54 1.81 -1.25 -1.04 118.95 121.53 2wkl s ARG 48 Ca 0.53 -1.54 -0.06 0.00 -1.72 0.00 0.00 55.73 52.95 2wkl s ARG 48 Cb -0.33 -2.78 0.06 0.00 -0.45 0.00 0.00 34.95 31.45 2wkl s ARG 48 CO 0.37 -0.91 0.14 -1.33 -0.68 0.00 0.00 175.30 172.90 2wkl n MET 49 N 4.47 -0.89 -2.01 3.54 2.81 -0.47 -4.88 117.12 119.69 2wkl n MET 49 Ca 0.00 0.09 -0.41 0.00 -1.81 0.00 0.00 57.70 55.57 2wkl n MET 49 Cb 0.42 -3.56 -0.02 0.00 -0.71 0.00 0.00 33.22 29.34 2wkl n MET 49 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 2wkl s GLU 50 N -6.96 4.27 -0.14 0.03 2.02 -0.66 -4.62 118.70 112.63 2wkl s GLU 50 Ca 0.20 2.30 -0.19 0.00 0.02 0.00 0.00 54.97 57.29 2wkl s GLU 50 Cb -0.12 -3.12 -0.04 0.00 0.10 0.00 0.00 34.13 30.96 2wkl s GLU 50 CO 0.93 -0.44 0.54 -1.17 0.02 0.00 0.00 175.26 175.14 2wkl s LEU 51 N -0.15 4.24 0.09 1.80 2.96 -1.26 -1.47 118.68 124.89 2wkl s LEU 51 Ca 0.61 0.85 -0.08 0.00 -0.22 0.00 0.00 54.13 55.28 2wkl s LEU 51 Cb -0.42 -2.78 -0.01 0.00 0.50 0.00 0.00 46.19 43.48 2wkl s LEU 51 CO 0.41 -0.09 0.17 -0.94 -1.32 0.00 0.00 176.35 174.59 2wkl s SER 52 N 0.83 0.15 0.06 3.68 1.04 0.11 -5.00 113.70 114.58 2wkl s SER 52 Ca 0.28 -0.71 0.03 0.00 0.48 0.00 0.00 55.95 56.03 2wkl s SER 52 Cb -0.16 0.33 -0.03 0.00 0.10 0.00 0.00 66.02 66.27 2wkl s SER 52 CO 0.11 -0.73 -0.10 -0.04 0.98 0.00 0.00 173.24 173.47 2wkl s MET 53 N -3.88 0.65 0.27 4.02 -1.94 -1.26 0.73 119.30 117.90 2wkl s MET 53 Ca 0.06 -0.88 -0.04 0.00 -1.71 0.00 0.00 55.69 53.12 2wkl s MET 53 Cb 0.05 -0.45 -0.01 0.00 2.01 0.00 0.00 34.83 36.43 2wkl s MET 53 CO -0.10 0.08 0.36 0.20 -0.01 0.00 0.00 175.02 175.56 2wkl s GLY 54 N -1.79 1.27 0.20 -0.03 0.00 -0.65 -5.00 107.32 101.31 2wkl s GLY 54 Ca -0.05 -1.43 -0.04 0.00 0.00 0.00 0.00 44.72 43.20 2wkl s GLY 54 CO 0.01 -1.04 0.43 2.56 0.00 0.00 0.00 173.10 175.06 2wkl s PRO 55 N -3.68 3.61 -0.28 2.90 0.04 -1.26 -1.16 135.00 135.16 2wkl s PRO 55 Ca 0.31 -0.11 -0.18 0.00 0.04 0.00 0.00 61.00 61.06 2wkl s PRO 55 Cb 0.02 -2.78 -0.02 0.00 0.04 0.00 0.00 34.50 31.75 2wkl s PRO 55 CO 0.15 0.38 0.52 0.42 0.04 0.00 0.00 177.00 178.52 2wkl s ILE 56 N -1.82 5.05 0.34 0.56 1.01 0.62 -4.70 121.20 122.25 2wkl s ILE 56 Ca 0.41 0.75 -0.27 0.00 0.00 0.00 0.00 60.65 61.55 2wkl s ILE 56 Cb -0.11 -3.87 -0.09 0.00 0.01 0.00 0.00 42.46 38.39 2wkl s ILE 56 CO 0.27 -0.00 1.08 -1.10 0.00 0.00 0.00 174.94 175.19 2wkl s GLN 57 N 2.36 4.39 0.31 2.79 -1.52 0.70 -4.72 119.66 123.96 2wkl s GLN 57 Ca 0.21 1.68 0.24 0.00 -1.95 0.00 0.00 55.36 55.53 2wkl s GLN 57 Cb -0.15 -2.87 0.42 0.00 -0.22 0.00 0.00 33.01 30.19 2wkl s GLN 57 CO 0.10 0.02 1.54 0.00 -0.25 0.00 0.00 175.29 176.70 2wkl h ALA 58 N 3.15 0.88 -2.40 6.09 0.00 -1.86 0.39 119.26 125.51 2wkl h ALA 58 Ca -0.48 0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.12 2wkl h ALA 58 Cb 1.22 0.00 -0.16 0.00 0.00 0.00 0.00 17.79 18.85 2wkl h ALA 58 CO 0.65 0.00 -0.72 -0.80 0.00 0.00 0.00 179.25 178.38 2wkl s ASN 59 N -5.41 1.61 -0.18 0.00 -0.87 -1.26 -4.82 114.94 104.01 2wkl s ASN 59 Ca 0.07 -0.95 -0.06 0.00 -1.57 0.00 0.00 52.86 50.35 2wkl s ASN 59 Cb 0.09 0.01 0.08 0.00 -0.02 0.00 0.00 41.25 41.41 2wkl s ASN 59 CO 0.67 -0.32 0.37 -2.28 -2.57 0.00 0.00 177.10 172.97 2wkl s HIS 60 N -3.07 -0.69 -0.04 2.20 2.46 -1.26 -4.85 115.29 110.04 2wkl s HIS 60 Ca 0.12 1.36 -0.01 0.00 0.47 0.00 0.00 55.06 57.01 2wkl s HIS 60 Cb 0.01 0.21 -0.04 0.00 -0.13 0.00 0.00 32.58 32.63 2wkl s HIS 60 CO -0.00 -0.44 0.02 0.99 -2.47 0.00 0.00 174.74 172.84 2wkl s THR 61 N 2.54 4.40 0.00 0.89 2.01 -1.26 -5.08 115.64 119.13 2wkl s THR 61 Ca -0.01 -0.38 0.00 0.00 0.31 0.00 0.00 61.69 61.61 2wkl s THR 61 Cb -0.12 -2.92 0.00 0.00 0.01 0.00 0.00 72.50 69.47 2wkl s THR 61 CO -0.12 0.48 0.00 0.61 -0.69 0.00 0.00 174.62 174.90 2wkl n GLY 62 N 1.68 2.39 0.67 4.40 0.00 -1.26 -4.93 105.19 108.15 2wkl n GLY 62 Ca -0.16 -2.12 0.06 0.00 0.00 0.00 0.00 46.02 43.80 2wkl n GLY 62 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2wkl n THR 63 N -1.15 1.53 -1.92 2.61 -2.24 -1.26 -5.04 114.28 106.81 2wkl n THR 63 Ca 0.00 -2.36 -0.29 0.00 -2.27 0.00 0.00 64.05 59.13 2wkl n THR 63 Cb 0.00 0.07 0.14 0.00 -2.10 0.00 0.00 70.33 68.43 2wkl n THR 63 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2wkl s GLY 64 N -2.75 1.69 0.13 3.38 0.00 -1.26 -4.96 107.32 103.54 2wkl s GLY 64 Ca 0.33 -0.93 -0.35 0.00 0.00 0.00 0.00 44.72 43.77 2wkl s GLY 64 CO -0.07 -0.30 1.35 -0.10 0.00 0.00 0.00 173.10 173.98 2wkl n LEU 65 N -3.53 1.97 -3.94 0.66 7.94 -1.26 -4.90 117.00 113.94 2wkl n LEU 65 Ca 0.12 1.12 -0.24 0.00 -1.11 0.00 0.00 56.01 55.90 2wkl n LEU 65 Cb 0.60 -1.25 -0.17 0.00 0.53 0.00 0.00 43.42 43.13 2wkl n LEU 65 CO 0.51 -0.93 -0.44 -0.22 -1.11 0.00 0.00 177.39 175.21 2wkl s LEU 66 N 0.57 1.37 -0.26 -1.96 2.96 -1.26 -1.94 118.68 118.17 2wkl s LEU 66 Ca 0.80 -0.24 -0.05 0.00 -0.22 0.00 0.00 54.13 54.42 2wkl s LEU 66 Cb -0.86 -0.70 0.01 0.00 0.50 0.00 0.00 46.19 45.14 2wkl s LEU 66 CO 0.47 -0.04 0.01 -0.76 -1.32 0.00 0.00 176.35 174.70 2wkl s LEU 67 N 1.07 3.39 -0.20 -0.68 1.43 -0.12 0.16 118.68 123.74 2wkl s LEU 67 Ca -0.08 -0.64 -0.12 0.00 -1.03 0.00 0.00 54.13 52.26 2wkl s LEU 67 Cb -0.14 -1.79 -0.05 0.00 0.03 0.00 0.00 46.19 44.24 2wkl s LEU 67 CO -0.01 -0.12 0.23 -0.89 0.23 0.00 0.00 176.35 175.79 2wkl s THR 68 N 1.45 5.33 0.26 5.49 2.01 0.78 -0.93 115.64 130.03 2wkl s THR 68 Ca 0.03 0.37 -0.30 0.00 0.31 0.00 0.00 61.69 62.11 2wkl s THR 68 Cb -0.16 -3.57 -0.09 0.00 0.01 0.00 0.00 72.50 68.69 2wkl s THR 68 CO -0.01 0.37 1.08 -0.22 -0.69 0.00 0.00 174.62 175.16 2wkl s LEU 69 N 0.72 4.55 -0.74 4.42 2.96 0.20 -1.89 118.68 128.90 2wkl s LEU 69 Ca 0.12 2.20 0.04 0.00 -0.22 0.00 0.00 54.13 56.27 2wkl s LEU 69 Cb -0.13 -3.62 0.26 0.00 0.50 0.00 0.00 46.19 43.20 2wkl s LEU 69 CO 0.03 -0.13 0.90 0.00 -1.32 0.00 0.00 176.35 175.83 2wkl n GLN 70 N 1.45 2.93 -0.22 1.98 6.02 0.89 -4.70 117.38 125.73 2wkl n GLN 70 Ca -0.00 -4.64 0.31 0.00 -0.01 0.00 0.00 57.00 52.66 2wkl n GLN 70 Cb 0.45 -2.32 0.72 0.00 1.02 0.00 0.00 30.24 30.11 2wkl n GLN 70 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 177.06 174.70 2wkl h PRO 71 N 4.53 0.00 -0.02 -1.09 0.11 -1.94 0.23 132.00 133.82 2wkl h PRO 71 Ca 0.20 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.31 2wkl h PRO 71 Cb 0.66 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.77 2wkl h PRO 71 CO 0.94 0.00 -0.15 -0.85 -0.21 0.00 0.00 178.00 177.73 2wkl n GLU 72 N -4.01 1.84 -3.13 1.05 0.00 -1.26 -4.70 120.64 110.44 2wkl n GLU 72 Ca 0.21 -1.47 -0.44 0.00 0.00 0.00 0.00 57.16 55.47 2wkl n GLU 72 Cb 1.13 -1.47 -0.06 0.00 0.00 0.00 0.00 31.44 31.05 2wkl n GLU 72 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.13 176.48 2wkl s GLN 73 N -2.17 3.10 -0.22 3.44 -0.21 0.82 -5.04 119.66 119.39 2wkl s GLN 73 Ca 0.26 -1.02 -0.12 0.00 0.02 0.00 0.00 55.36 54.51 2wkl s GLN 73 Cb 0.20 -4.15 -0.05 0.00 1.00 0.00 0.00 33.01 30.00 2wkl s GLN 73 CO 0.40 -1.34 0.22 0.15 -2.12 0.00 0.00 175.29 172.60 2wkl s LYS 74 N 2.69 4.13 0.00 2.91 -0.14 -1.26 -2.36 119.74 125.71 2wkl s LYS 74 Ca 0.14 -0.13 0.00 0.00 -1.36 0.00 0.00 55.97 54.63 2wkl s LYS 74 Cb -0.21 -3.51 0.00 0.00 -1.68 0.00 0.00 37.83 32.43 2wkl s LYS 74 CO 0.10 0.09 0.00 1.19 -0.76 0.00 0.00 175.35 175.97 2wkl n PHE 75 N 4.14 0.00 -1.39 3.18 3.01 0.50 -5.00 117.46 121.90 2wkl n PHE 75 Ca -0.13 0.00 -0.33 0.00 1.01 0.00 0.00 57.45 57.99 2wkl n PHE 75 Cb 0.52 0.00 0.09 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 3.64 2.14 0.27 -1.08 0.00 -1.26 -4.59 119.66 118.77 2wkl s GLN 76 Ca 0.00 1.60 -0.06 0.00 -0.00 0.00 0.00 55.36 56.90 2wkl s GLN 76 Cb 0.00 -1.85 -0.06 0.00 0.00 0.00 0.00 33.01 31.10 2wkl s GLN 76 CO 0.00 -1.80 0.55 0.15 0.00 0.00 0.00 175.29 174.18 2wkl s LYS 77 N -4.13 3.67 -0.18 9.60 1.02 -1.26 -1.34 119.74 127.12 2wkl s LYS 77 Ca 0.71 0.07 -0.14 0.00 0.02 0.00 0.00 55.97 56.62 2wkl s LYS 77 Cb -0.25 -2.65 -0.05 0.00 -0.52 0.00 0.00 37.83 34.36 2wkl s LYS 77 CO 0.47 0.24 0.29 0.08 -0.92 0.00 0.00 175.35 175.51 2wkl s VAL 78 N -2.02 5.30 -0.10 3.17 1.01 0.75 -4.66 120.40 123.85 2wkl s VAL 78 Ca 0.45 0.53 -0.20 0.00 0.00 0.00 0.00 61.98 62.75 2wkl s VAL 78 Cb -0.11 -3.63 -0.17 0.00 0.00 0.00 0.00 36.38 32.47 2wkl s VAL 78 CO 0.28 0.36 0.66 0.50 0.00 0.00 0.00 175.10 176.90 2wkl h LYS 79 N 6.90 -0.06 0.00 2.72 1.63 0.24 -0.63 116.57 127.37 2wkl h LYS 79 Ca -0.40 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.41 2wkl h LYS 79 Cb 1.16 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.81 2wkl h LYS 79 CO 0.74 0.54 0.00 0.41 -3.45 0.00 0.00 179.45 177.69 2wkl n GLY 80 N 1.29 -0.41 3.06 5.01 0.00 -1.22 -4.30 105.19 108.62 2wkl n GLY 80 Ca -0.07 -1.18 -0.12 0.00 0.00 0.00 0.00 46.02 44.65 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 -3.00 -0.09 -0.50 1.61 0.40 -1.26 -0.71 117.98 114.43 2wkl s PHE 81 Ca 0.00 0.21 0.00 0.00 -0.60 0.00 0.00 56.93 56.54 2wkl s PHE 81 Cb 0.00 0.02 0.00 0.00 0.51 0.00 0.00 43.02 43.55 2wkl s PHE 81 CO 0.00 -0.16 0.00 0.41 0.70 0.00 0.00 175.22 176.17 2wkl n GLY 82 N 2.43 -0.68 2.40 4.36 0.00 -0.79 -1.02 105.19 111.90 2wkl n GLY 82 Ca -0.16 -0.46 -0.09 0.00 0.00 0.00 0.00 46.02 45.31 2wkl n GLY 82 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wkl n GLY 83 N 0.00 2.14 3.70 -0.02 0.00 -1.17 0.70 105.19 110.54 2wkl n GLY 83 Ca 0.00 -1.45 -0.35 0.00 0.00 0.00 0.00 46.02 44.22 2wkl n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wkl s ALA 84 N -2.25 3.59 -1.30 4.61 0.00 0.11 -0.74 121.76 125.77 2wkl s ALA 84 Ca 0.18 -0.71 -0.13 0.00 0.00 0.00 0.00 51.96 51.30 2wkl s ALA 84 Cb -0.01 -2.08 0.12 0.00 0.00 0.00 0.00 23.12 21.15 2wkl s ALA 84 CO 0.13 0.16 1.82 -0.12 0.00 0.00 0.00 175.76 177.75 2wkl n MET 85 N 3.53 3.32 -1.55 0.00 1.56 0.76 -1.63 117.12 123.11 2wkl n MET 85 Ca -0.16 -3.37 -0.30 0.00 -0.27 0.00 0.00 57.70 53.60 2wkl n MET 85 Cb 0.52 -3.13 0.09 0.00 2.15 0.00 0.00 33.22 32.85 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 1.96 3.00 0.22 1.12 -4.23 -1.26 -4.43 115.64 112.01 2wkl s THR 86 Ca 0.44 0.32 -0.08 0.00 -1.18 0.00 0.00 61.69 61.19 2wkl s THR 86 Cb 0.06 -3.07 0.16 0.00 1.34 0.00 0.00 72.50 71.00 2wkl s THR 86 CO -0.00 -0.42 1.74 0.44 -0.54 0.00 0.00 174.62 175.83 2wkl h ASP 87 N -1.12 0.22 -0.59 3.99 3.32 -1.91 -0.76 116.42 119.58 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 1.27 0.07 -0.03 0.00 0.22 0.00 0.00 39.33 40.87 2wkl h ASP 87 CO 0.59 0.12 0.29 0.00 -1.72 0.00 0.00 179.24 178.52 2wkl h ALA 88 N 1.45 0.76 -0.44 3.45 0.00 -1.32 -0.28 119.26 122.88 2wkl h ALA 88 Ca 0.33 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 2wkl h ALA 88 Cb 0.44 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 2wkl h ALA 88 CO -0.33 0.31 0.19 0.00 0.00 0.00 0.00 179.25 179.42 2wkl h ALA 89 N 1.12 0.57 -0.44 0.00 0.00 -1.50 0.09 119.26 119.10 2wkl h ALA 89 Ca 0.20 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 2wkl h ALA 89 Cb 0.11 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 2wkl h ALA 89 CO -0.03 0.16 0.04 0.00 0.00 0.00 0.00 179.25 179.42 2wkl h ALA 90 N 1.03 0.58 -0.22 0.00 0.00 -0.96 -0.09 119.26 119.61 2wkl h ALA 90 Ca 0.15 -0.24 0.06 0.00 0.00 0.00 0.00 54.91 54.87 2wkl h ALA 90 Cb 0.17 -0.16 -0.07 0.00 0.00 0.00 0.00 17.79 17.73 2wkl h ALA 90 CO -0.01 0.34 -0.23 1.25 0.00 0.00 0.00 179.25 180.59 2wkl h LEU 91 N 0.60 -0.73 -0.50 0.00 6.46 -0.84 -1.50 115.31 118.80 2wkl h LEU 91 Ca 0.13 0.13 -0.04 0.00 -0.12 0.00 0.00 57.88 57.98 2wkl h LEU 91 Cb 0.43 0.34 -0.02 0.00 -0.73 0.00 0.00 40.66 40.68 2wkl h LEU 91 CO 0.01 -0.27 0.16 0.78 -0.62 0.00 0.00 178.44 178.51 2wkl h ASN 92 N -0.25 0.72 -0.42 1.25 2.35 -0.48 -2.63 115.58 116.13 2wkl h ASN 92 Ca 0.13 -0.20 0.02 0.00 -0.55 0.00 0.00 56.30 55.70 2wkl h ASN 92 Cb 0.44 -0.19 -0.03 0.00 0.05 0.00 0.00 38.32 38.60 2wkl h ASN 92 CO -0.36 0.73 0.25 0.40 -1.65 0.00 0.00 177.43 176.79 2wkl h ILE 93 N 0.67 1.05 0.00 2.81 2.04 -0.70 -2.37 117.51 121.00 2wkl h ILE 93 Ca 0.16 -0.17 0.00 0.00 1.00 0.00 0.00 64.86 65.85 2wkl h ILE 93 Cb 0.26 0.50 0.00 0.00 -0.74 0.00 0.00 36.82 36.84 2wkl h ILE 93 CO -0.01 0.09 0.00 0.18 0.00 0.00 0.00 178.15 178.42 2wkl n LEU 94 N -4.84 0.00 0.03 1.44 4.77 -0.59 -2.20 117.00 115.60 2wkl n LEU 94 Ca 0.01 0.38 0.13 0.00 -0.03 0.00 0.00 56.01 56.51 2wkl n LEU 94 Cb 0.06 -0.38 0.50 0.00 -2.33 0.00 0.00 43.42 41.26 2wkl n LEU 94 CO 0.33 -0.06 0.85 0.00 -1.33 0.00 0.00 177.39 177.18 2wkl n ALA 95 N -1.38 2.47 -1.94 -1.18 0.00 -0.89 -4.82 120.51 112.77 2wkl n ALA 95 Ca 0.09 -0.11 -0.28 0.00 0.00 0.00 0.00 53.44 53.14 2wkl n ALA 95 Cb 0.24 -1.42 0.07 0.00 0.00 0.00 0.00 19.45 18.34 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 -3.49 2.80 0.57 0.00 1.43 -0.94 -4.98 118.68 114.06 2wkl s LEU 96 Ca 0.12 0.71 -0.18 0.00 -1.03 0.00 0.00 54.13 53.76 2wkl s LEU 96 Cb 0.17 -3.36 -0.05 0.00 0.03 0.00 0.00 46.19 42.98 2wkl s LEU 96 CO 0.58 -1.57 1.08 -0.94 0.23 0.00 0.00 176.35 175.72 2wkl s SER 97 N -4.48 5.81 0.25 2.29 1.04 -1.26 -4.75 113.70 112.60 2wkl s SER 97 Ca 0.59 1.95 -0.03 0.00 0.48 0.00 0.00 55.95 58.94 2wkl s SER 97 Cb -0.11 -2.55 0.47 0.00 0.10 0.00 0.00 66.02 63.93 2wkl s SER 97 CO 0.47 -1.15 1.75 -0.65 0.98 0.00 0.00 173.24 174.65 2wkl h PRO 98 N 0.81 0.54 -0.58 4.02 0.11 -1.95 0.73 132.00 135.69 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 1.23 -0.12 -0.03 0.00 0.11 0.00 0.00 31.00 32.19 2wkl h PRO 98 CO 0.57 0.36 0.14 -1.35 -0.21 0.00 0.00 178.00 177.51 2wkl h PRO 99 N 0.56 0.89 -0.45 1.05 0.11 -1.92 -1.02 132.00 131.22 2wkl h PRO 99 Ca 0.42 -0.19 -0.12 0.00 0.11 0.00 0.00 66.00 66.22 2wkl h PRO 99 Cb 0.59 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 31.56 2wkl h PRO 99 CO -0.36 0.80 -0.20 0.00 -0.21 0.00 0.00 178.00 178.03 2wkl h ALA 100 N 1.29 0.63 -0.63 -0.75 0.00 -1.31 -2.44 119.26 116.04 2wkl h ALA 100 Ca 0.19 -0.38 0.12 0.00 0.00 0.00 0.00 54.91 54.84 2wkl h ALA 100 Cb 0.32 -0.15 -0.09 0.00 0.00 0.00 0.00 17.79 17.86 2wkl h ALA 100 CO -0.00 0.60 0.13 1.96 0.00 0.00 0.00 179.25 181.94 2wkl h GLN 101 N 0.77 0.25 -0.58 0.00 4.20 -0.40 -0.72 115.11 118.62 2wkl h GLN 101 Ca 0.10 -0.01 -0.07 0.00 0.06 0.00 0.00 58.65 58.72 2wkl h GLN 101 Cb 0.77 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.47 2wkl h GLN 101 CO 0.06 0.16 0.07 -0.91 -0.67 0.00 0.00 178.83 177.55 2wkl h ASN 102 N 0.25 0.91 -0.06 1.46 2.35 -0.83 -0.66 115.58 119.00 2wkl h ASN 102 Ca 0.34 -0.21 -0.00 0.00 -0.55 0.00 0.00 56.30 55.88 2wkl h ASN 102 Cb 0.52 -0.24 -0.00 0.00 0.05 0.00 0.00 38.32 38.65 2wkl h ASN 102 CO -0.44 0.93 0.04 -0.07 -1.65 0.00 0.00 177.43 176.24 2wkl h LEU 103 N 0.89 0.07 -0.30 1.61 3.38 -0.90 0.14 115.31 120.20 2wkl h LEU 103 Ca 0.18 -0.05 0.07 0.00 0.09 0.00 0.00 57.88 58.16 2wkl h LEU 103 Cb 0.42 -0.02 -0.08 0.00 0.09 0.00 0.00 40.66 41.08 2wkl h LEU 103 CO 0.01 0.11 -0.23 0.25 0.09 0.00 0.00 178.44 178.67 2wkl h LEU 104 N 0.03 -0.75 -1.36 1.67 6.46 -0.90 0.62 115.31 121.08 2wkl h LEU 104 Ca 0.02 0.15 -0.03 0.00 -0.12 0.00 0.00 57.88 57.90 2wkl h LEU 104 Cb 0.05 0.37 -0.02 0.00 -0.73 0.00 0.00 40.66 40.33 2wkl h LEU 104 CO -0.00 -0.26 0.14 -0.07 -0.62 0.00 0.00 178.44 177.62 2wkl h LEU 105 N -0.20 0.52 -0.84 2.25 3.38 -0.94 -2.57 115.31 116.92 2wkl h LEU 105 Ca 0.16 -0.06 -0.08 0.00 0.09 0.00 0.00 57.88 57.99 2wkl h LEU 105 Cb 0.45 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 2wkl h LEU 105 CO -0.42 0.49 0.03 0.11 0.09 0.00 0.00 178.44 178.74 2wkl h LYS 106 N 0.57 0.90 0.00 1.13 1.57 0.77 0.13 116.57 121.65 2wkl h LYS 106 Ca 0.14 -0.24 -0.02 0.00 -1.87 0.00 0.00 60.65 58.65 2wkl h LYS 106 Cb 0.15 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.36 2wkl h LYS 106 CO -0.01 0.88 -0.11 0.77 -0.57 0.00 0.00 179.45 180.40 2wkl h SER 107 N 0.84 0.00 0.03 0.86 0.02 -0.52 -1.75 113.55 113.03 2wkl h SER 107 Ca 0.16 0.00 -0.34 0.00 -0.84 0.00 0.00 61.79 60.77 2wkl h SER 107 Cb 0.46 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.95 2wkl h SER 107 CO 0.02 0.11 -1.93 -1.22 -1.14 0.00 0.00 176.83 172.67 2wkl n TYR 108 N -4.32 0.68 0.72 3.45 0.53 -1.07 -1.01 117.16 116.13 2wkl n TYR 108 Ca -0.03 0.23 0.08 0.00 -1.02 0.00 0.00 57.90 57.16 2wkl n TYR 108 Cb 0.19 -1.08 -0.02 0.00 -1.03 0.00 0.00 39.34 37.40 2wkl n TYR 108 CO 0.00 0.00 0.00 1.19 -1.02 0.00 0.00 176.86 177.03 2wkl n PHE 109 N -4.00 0.00 -4.08 -0.72 3.01 0.01 -0.16 117.46 111.53 2wkl n PHE 109 Ca -0.40 0.00 -0.22 0.00 1.01 0.00 0.00 57.45 57.84 2wkl n PHE 109 Cb 0.86 0.00 -0.05 0.00 -0.01 0.00 0.00 39.48 40.28 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 -2.01 5.18 0.19 4.37 0.15 -0.67 -3.61 113.70 117.31 2wkl s SER 110 Ca 0.12 -0.45 0.21 0.00 0.70 0.00 0.00 55.95 56.53 2wkl s SER 110 Cb 0.13 -1.12 0.89 0.00 -1.71 0.00 0.00 66.02 64.21 2wkl s SER 110 CO 0.45 -0.14 1.64 -0.62 1.20 0.00 0.00 173.24 175.77 2wkl n GLU 111 N -1.17 0.14 0.07 5.44 -0.58 -1.26 -0.83 120.64 122.45 2wkl n GLU 111 Ca -0.06 0.38 0.13 0.00 -0.42 0.00 0.00 57.16 57.20 2wkl n GLU 111 Cb 0.59 -1.78 0.41 0.00 -0.57 0.00 0.00 31.44 30.09 2wkl n GLU 111 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 2wkl n GLU 112 N -2.05 0.20 0.00 3.49 1.02 -1.26 -4.76 120.64 117.28 2wkl n GLU 112 Ca 0.02 0.14 0.00 0.00 -0.02 0.00 0.00 57.16 57.31 2wkl n GLU 112 Cb 0.21 -1.71 0.00 0.00 -0.02 0.00 0.00 31.44 29.92 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 1.36 3.35 1.33 0.62 0.00 -0.01 -0.82 105.19 111.01 2wkl n GLY 113 Ca 0.06 -1.26 0.06 0.00 0.00 0.00 0.00 46.02 44.88 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 2.52 -3.53 -0.61 -5.35 -0.18 -4.84 119.36 107.36 2wkl n ILE 114 Ca 0.00 -1.75 -0.26 0.00 -0.27 0.00 0.00 62.75 60.47 2wkl n ILE 114 Cb 0.00 -0.28 0.01 0.00 -1.74 0.00 0.00 39.64 37.63 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 -0.15 -0.49 3.50 3.28 0.00 -0.92 -2.73 105.19 107.68 2wkl n GLY 115 Ca 0.26 0.12 -0.39 0.00 0.00 0.00 0.00 46.02 46.01 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 -4.22 -0.32 -1.76 1.61 0.53 0.77 -4.76 117.16 109.02 2wkl n TYR 116 Ca -0.00 0.47 0.00 0.00 -1.02 0.00 0.00 57.90 57.34 2wkl n TYR 116 Cb 0.54 -2.00 0.00 0.00 -1.03 0.00 0.00 39.34 36.85 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 0.40 0.00 -4.05 7.72 6.94 -0.19 -4.76 115.26 121.32 2wkl n ASN 117 Ca 0.12 -1.47 -0.18 0.00 -0.02 0.00 0.00 54.58 53.02 2wkl n ASN 117 Cb 0.46 -0.09 -0.14 0.00 -2.36 0.00 0.00 39.78 37.65 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 0.77 -0.08 1.53 1.01 -0.70 -1.08 121.20 122.65 2wkl s ILE 118 Ca 0.00 -0.58 -0.01 0.00 0.00 0.00 0.00 60.65 60.06 2wkl s ILE 118 Cb 0.00 -0.68 0.03 0.00 0.01 0.00 0.00 42.46 41.82 2wkl s ILE 118 CO 0.00 0.10 -0.02 -0.63 0.00 0.00 0.00 174.94 174.39 2wkl s ILE 119 N -0.46 0.54 0.01 2.92 1.01 -0.16 -3.02 121.20 122.04 2wkl s ILE 119 Ca 0.02 0.00 -0.23 0.00 0.00 0.00 0.00 60.65 60.44 2wkl s ILE 119 Cb -0.05 -0.65 -0.05 0.00 0.01 0.00 0.00 42.46 41.71 2wkl s ILE 119 CO 0.00 0.28 0.70 -0.60 0.00 0.00 0.00 174.94 175.32 2wkl s ARG 120 N 1.81 4.42 -0.15 2.79 3.52 0.08 -0.53 118.95 130.90 2wkl s ARG 120 Ca 0.03 0.92 0.01 0.00 -0.13 0.00 0.00 55.73 56.56 2wkl s ARG 120 Cb -0.13 -3.37 0.02 0.00 -1.56 0.00 0.00 34.95 29.92 2wkl s ARG 120 CO -0.05 0.29 -0.16 0.08 -0.81 0.00 0.00 175.30 174.64 2wkl s VAL 121 N 0.01 1.67 0.41 7.11 1.01 0.36 -0.17 120.40 130.79 2wkl s VAL 121 Ca 0.36 -0.70 -0.25 0.00 0.00 0.00 0.00 61.98 61.39 2wkl s VAL 121 Cb -0.19 -1.54 -0.08 0.00 0.00 0.00 0.00 36.38 34.56 2wkl s VAL 121 CO 0.20 0.47 1.14 -2.84 0.00 0.00 0.00 175.10 174.07 2wkl s PRO 122 N 1.34 4.05 -0.61 2.72 0.02 -1.26 -2.32 135.00 138.94 2wkl s PRO 122 Ca 0.02 1.75 -0.22 0.00 0.02 0.00 0.00 61.00 62.57 2wkl s PRO 122 Cb -0.13 -2.61 0.07 0.00 0.02 0.00 0.00 34.50 31.84 2wkl s PRO 122 CO -0.09 -0.30 0.87 -1.64 -0.33 0.00 0.00 177.00 175.51 2wkl s MET 123 N -2.39 3.14 2.08 5.54 -1.94 -0.02 -4.85 119.30 120.87 2wkl s MET 123 Ca 0.58 -0.81 0.00 0.00 -1.71 0.00 0.00 55.69 53.75 2wkl s MET 123 Cb -0.28 -4.18 0.00 0.00 2.01 0.00 0.00 34.83 32.38 2wkl s MET 123 CO 0.35 -1.63 0.00 0.00 -0.01 0.00 0.00 175.02 173.73 2wkl n ALA 124 N 7.24 0.00 -1.82 3.03 0.00 -1.26 -4.24 120.51 123.46 2wkl n ALA 124 Ca -0.04 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.04 2wkl n ALA 124 Cb 0.45 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.84 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 7.19 0.00 0.00 1.04 -1.02 -4.92 113.70 112.00 2wkl s SER 125 Ca 0.00 1.76 0.00 0.00 0.48 0.00 0.00 55.95 58.19 2wkl s SER 125 Cb 0.00 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.57 2wkl s SER 125 CO 0.00 -0.15 0.00 0.00 0.98 0.00 0.00 173.24 174.07 2wkl h ASP 127 N 0.00 0.00 -0.72 0.00 2.03 -1.97 -3.25 116.42 112.51 2wkl h ASP 127 Ca 0.00 0.00 -0.70 0.00 -0.73 0.00 0.00 57.03 55.60 2wkl h ASP 127 Cb 0.00 0.00 -0.07 0.00 -0.83 0.00 0.00 39.33 38.43 2wkl h ASP 127 CO 0.00 0.52 2.83 0.49 -1.03 0.00 0.00 179.24 182.05 2wkl n PHE 128 N -3.60 2.47 -4.07 4.15 3.01 -1.26 -2.57 117.46 115.58 2wkl n PHE 128 Ca -0.00 -2.88 -0.07 0.00 1.01 0.00 0.00 57.45 55.51 2wkl n PHE 128 Cb 0.59 -2.05 -0.10 0.00 -0.01 0.00 0.00 39.48 37.91 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 1.03 0.44 -0.06 4.37 0.01 -1.23 -0.91 113.70 117.35 2wkl s SER 129 Ca 0.60 -0.91 0.17 0.00 1.31 0.00 0.00 55.95 57.12 2wkl s SER 129 Cb 0.19 0.19 0.56 0.00 0.21 0.00 0.00 66.02 67.16 2wkl s SER 129 CO -0.08 -0.55 1.47 2.30 0.41 0.00 0.00 173.24 176.79 2wkl n ILE 130 N 0.37 1.46 -3.56 1.44 -5.35 -1.26 -2.80 119.36 109.66 2wkl n ILE 130 Ca -0.16 -1.18 -0.12 0.00 -0.27 0.00 0.00 62.75 61.01 2wkl n ILE 130 Cb 0.60 0.27 -0.05 0.00 -1.74 0.00 0.00 39.64 38.72 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 -1.53 0.73 0.30 6.28 1.70 -1.26 -4.93 118.95 120.24 2wkl s ARG 131 Ca 0.41 0.15 -0.23 0.00 -0.47 0.00 0.00 55.73 55.59 2wkl s ARG 131 Cb 0.25 0.35 -0.09 0.00 -0.57 0.00 0.00 34.95 34.88 2wkl s ARG 131 CO 0.22 -0.23 0.87 0.95 -1.08 0.00 0.00 175.30 176.03 2wkl s THR 132 N -1.24 4.35 -0.26 4.99 -4.23 -1.26 -4.85 115.64 113.14 2wkl s THR 132 Ca -0.04 1.60 -0.28 0.00 -1.18 0.00 0.00 61.69 61.79 2wkl s THR 132 Cb -0.00 -3.91 0.17 0.00 1.34 0.00 0.00 72.50 70.10 2wkl s THR 132 CO 0.03 0.10 1.26 -0.72 -0.54 0.00 0.00 174.62 174.76 2wkl s TYR 133 N -1.66 -0.15 0.52 3.99 -0.85 -1.26 -5.03 117.35 112.90 2wkl s TYR 133 Ca 0.49 0.30 0.03 0.00 -0.52 0.00 0.00 57.07 57.37 2wkl s TYR 133 Cb -0.17 0.47 0.01 0.00 0.38 0.00 0.00 41.96 42.65 2wkl s TYR 133 CO 0.22 -0.12 0.17 0.95 -1.52 0.00 0.00 175.55 175.24 2wkl s THR 134 N -0.73 1.40 -1.57 -3.49 -4.23 -1.26 -2.43 115.64 103.33 2wkl s THR 134 Ca 0.06 -1.79 0.30 0.00 -1.18 0.00 0.00 61.69 59.08 2wkl s THR 134 Cb -0.02 -2.19 0.57 0.00 1.34 0.00 0.00 72.50 72.20 2wkl s THR 134 CO -0.07 0.00 2.04 -1.22 -0.54 0.00 0.00 174.62 174.83 2wkl n TYR 135 N -1.46 0.00 -3.13 3.99 0.53 -1.26 -4.32 117.16 111.51 2wkl n TYR 135 Ca -0.11 0.00 -0.20 0.00 -1.02 0.00 0.00 57.90 56.57 2wkl n TYR 135 Cb 0.66 -0.22 -0.04 0.00 -1.03 0.00 0.00 39.34 38.72 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 -1.16 1.76 1.35 -0.72 0.00 -1.26 -1.64 120.51 118.84 2wkl n ALA 136 Ca 0.16 -3.12 0.14 0.00 0.00 0.00 0.00 53.44 50.62 2wkl n ALA 136 Cb 0.23 -0.92 0.58 0.00 0.00 0.00 0.00 19.45 19.33 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 0.94 0.49 -4.70 0.00 8.00 -1.26 -4.72 116.55 115.30 2wkl n ASP 137 Ca 0.21 -0.53 -0.42 0.00 0.71 0.00 0.00 54.79 54.75 2wkl n ASP 137 Cb 0.60 -0.06 -0.03 0.00 -0.02 0.00 0.00 41.12 41.61 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 -2.52 3.66 0.32 -3.53 2.01 -1.26 -4.97 115.64 109.35 2wkl s THR 138 Ca 0.27 1.12 -0.29 0.00 0.31 0.00 0.00 61.69 63.10 2wkl s THR 138 Cb 0.20 -3.72 -0.10 0.00 0.01 0.00 0.00 72.50 68.89 2wkl s THR 138 CO 0.49 0.04 1.27 -2.84 -0.69 0.00 0.00 174.62 172.89 2wkl s PRO 139 N 1.80 4.41 -1.54 4.92 0.02 -1.26 -3.26 135.00 140.08 2wkl s PRO 139 Ca 0.63 2.14 0.00 0.00 0.02 0.00 0.00 61.00 63.79 2wkl s PRO 139 Cb -0.32 -3.10 0.00 0.00 0.02 0.00 0.00 34.50 31.10 2wkl s PRO 139 CO 0.28 -0.11 0.00 -0.25 -0.33 0.00 0.00 177.00 176.59 2wkl n ASP 140 N 0.91 -5.24 -3.28 2.53 8.00 -1.26 -4.86 116.55 113.35 2wkl n ASP 140 Ca -0.00 0.36 -0.30 0.00 0.71 0.00 0.00 54.79 55.56 2wkl n ASP 140 Cb 0.42 -4.02 -0.02 0.00 -0.02 0.00 0.00 41.12 37.48 2wkl n ASP 140 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 2wkl n ASP 141 N -0.89 5.92 -0.23 -2.24 2.03 -1.20 -4.71 116.55 115.23 2wkl n ASP 141 Ca -0.15 -2.45 0.31 0.00 0.52 0.00 0.00 54.79 53.03 2wkl n ASP 141 Cb 0.56 -1.27 0.73 0.00 -0.72 0.00 0.00 41.12 40.41 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 6.00 0.00 -0.00 -0.67 -1.00 -1.91 0.26 116.94 119.61 2wkl h PHE 142 Ca 0.62 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.40 2wkl h PHE 142 Cb 0.26 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.82 2wkl h PHE 142 CO 1.86 0.00 -0.19 1.04 -1.61 0.00 0.00 178.31 179.41 2wkl n GLN 143 N -4.06 0.66 -3.85 1.51 1.13 -1.26 -4.82 117.38 106.69 2wkl n GLN 143 Ca 0.21 -0.30 -0.26 0.00 -1.94 0.00 0.00 57.00 54.71 2wkl n GLN 143 Cb 1.13 -1.49 0.02 0.00 0.11 0.00 0.00 30.24 30.00 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 -0.91 -2.68 -0.20 1.08 4.77 0.93 -4.91 117.00 115.08 2wkl n LEU 144 Ca 0.13 -0.85 -0.10 0.00 -0.03 0.00 0.00 56.01 55.16 2wkl n LEU 144 Cb 0.31 -2.52 0.02 0.00 -2.33 0.00 0.00 43.42 38.90 2wkl n LEU 144 CO 0.26 0.43 0.78 -0.74 -1.33 0.00 0.00 177.39 176.78 2wkl h HIS 145 N -1.92 1.17 -0.93 -1.77 2.76 -1.92 -3.10 115.15 109.44 2wkl h HIS 145 Ca -0.60 -0.22 -0.58 0.00 -2.20 0.00 0.00 60.37 56.76 2wkl h HIS 145 Cb 1.37 -0.30 -0.28 0.00 1.55 0.00 0.00 27.41 29.75 2wkl h HIS 145 CO 0.52 1.05 0.75 0.09 -1.30 0.00 0.00 177.93 179.04 2wkl n ASN 146 N -4.16 6.14 -4.68 3.26 4.13 -1.26 -4.91 115.26 113.77 2wkl n ASN 146 Ca 0.02 -3.63 -0.42 0.00 1.68 0.00 0.00 54.58 52.23 2wkl n ASN 146 Cb 0.38 -0.93 -0.03 0.00 -1.54 0.00 0.00 39.78 37.67 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 -3.39 3.04 0.01 3.10 5.36 -1.17 -4.61 117.98 120.31 2wkl s PHE 147 Ca 0.58 1.09 -0.16 0.00 -0.96 0.00 0.00 56.93 57.48 2wkl s PHE 147 Cb 0.47 -3.48 0.03 0.00 -0.34 0.00 0.00 43.02 39.69 2wkl s PHE 147 CO 0.03 -1.61 0.36 -1.54 -1.46 0.00 0.00 175.22 171.00 2wkl s SER 148 N 1.68 -0.23 0.04 6.13 1.04 -0.65 -5.03 113.70 116.68 2wkl s SER 148 Ca 0.57 0.05 -0.30 0.00 0.48 0.00 0.00 55.95 56.74 2wkl s SER 148 Cb -0.25 0.36 -0.05 0.00 0.10 0.00 0.00 66.02 66.18 2wkl s SER 148 CO 0.21 -0.55 1.23 -0.76 0.98 0.00 0.00 173.24 174.35 2wkl s LEU 149 N -1.64 4.35 1.02 2.42 1.43 -1.26 -4.61 118.68 120.39 2wkl s LEU 149 Ca -0.09 2.02 -0.17 0.00 -1.03 0.00 0.00 54.13 54.85 2wkl s LEU 149 Cb -0.03 -3.58 0.23 0.00 0.03 0.00 0.00 46.19 42.85 2wkl s LEU 149 CO 0.01 -0.52 1.32 -2.16 0.23 0.00 0.00 176.35 175.24 2wkl s PRO 150 N 1.32 0.14 0.40 1.29 0.04 -1.26 -4.80 135.00 132.13 2wkl s PRO 150 Ca 0.59 -0.48 0.09 0.00 0.04 0.00 0.00 61.00 61.24 2wkl s PRO 150 Cb -0.29 -1.79 0.84 0.00 0.04 0.00 0.00 34.50 33.29 2wkl s PRO 150 CO 0.28 -2.74 1.98 0.93 0.04 0.00 0.00 177.00 177.49 2wkl h GLU 151 N -1.88 0.34 -1.04 4.56 5.08 -1.96 -1.23 114.58 118.46 2wkl h GLU 151 Ca -0.44 -0.05 0.27 0.00 -1.00 0.00 0.00 59.36 58.14 2wkl h GLU 151 Cb 1.22 -0.06 -0.11 0.00 0.50 0.00 0.00 28.75 30.30 2wkl h GLU 151 CO 0.32 0.35 0.64 0.93 -1.00 0.00 0.00 179.01 180.25 2wkl h GLU 152 N 0.34 0.45 0.11 2.33 3.07 -1.96 0.23 114.58 119.14 2wkl h GLU 152 Ca 0.08 -0.03 -0.29 0.00 -0.50 0.00 0.00 59.36 58.63 2wkl h GLU 152 Cb 0.19 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 27.99 2wkl h GLU 152 CO 0.00 0.30 -1.49 -0.44 -1.40 0.00 0.00 179.01 175.97 2wkl h ASP 153 N 0.46 0.35 1.35 1.42 3.32 -1.61 -1.54 116.42 120.17 2wkl h ASP 153 Ca 0.63 -0.84 -0.10 0.00 0.02 0.00 0.00 57.03 56.74 2wkl h ASP 153 Cb 1.43 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 40.85 2wkl h ASP 153 CO -0.39 1.65 -0.47 0.71 -1.72 0.00 0.00 179.24 179.02 2wkl h THR 154 N -0.31 0.86 -0.00 0.35 1.35 -0.80 -1.69 112.91 112.67 2wkl h THR 154 Ca -0.33 -2.05 0.00 0.00 -0.55 0.00 0.00 66.41 63.48 2wkl h THR 154 Cb 1.76 2.31 0.00 0.00 -1.73 0.00 0.00 68.15 70.49 2wkl h THR 154 CO 0.04 0.46 -0.21 0.29 -0.25 0.00 0.00 175.52 175.85 2wkl n LYS 155 N -3.29 5.48 0.02 4.72 4.01 0.76 -4.59 118.16 125.28 2wkl n LYS 155 Ca 0.01 -0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.81 2wkl n LYS 155 Cb 0.68 -0.71 0.00 0.00 -0.51 0.00 0.00 35.03 34.49 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 -1.10 0.31 0.17 -0.35 4.77 -1.18 -4.82 117.00 114.81 2wkl n LEU 156 Ca 0.01 0.07 -0.14 0.00 -0.03 0.00 0.00 56.01 55.92 2wkl n LEU 156 Cb 0.07 -0.07 -0.08 0.00 -2.33 0.00 0.00 43.42 41.01 2wkl n LEU 156 CO 0.09 -0.59 0.58 0.11 -1.33 0.00 0.00 177.39 176.25 2wkl h LYS 157 N 0.00 -0.43 0.02 3.23 1.57 -1.35 -2.99 116.57 116.62 2wkl h LYS 157 Ca 0.00 0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.81 2wkl h LYS 157 Cb 0.00 0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.41 2wkl h LYS 157 CO 0.00 -0.13 -0.01 0.82 -0.57 0.00 0.00 179.45 179.55 2wkl h ILE 158 N -0.73 1.14 -0.87 1.86 2.04 -1.56 0.21 117.51 119.61 2wkl h ILE 158 Ca -0.05 -0.52 0.05 0.00 1.00 0.00 0.00 64.86 65.35 2wkl h ILE 158 Cb 0.50 1.49 -0.06 0.00 -0.74 0.00 0.00 36.82 38.01 2wkl h ILE 158 CO 0.07 0.13 0.55 -0.65 0.00 0.00 0.00 178.15 178.26 2wkl h PRO 159 N -0.26 0.99 -0.65 2.37 0.11 -1.77 0.55 132.00 133.33 2wkl h PRO 159 Ca -0.00 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 66.03 2wkl h PRO 159 Cb 0.24 -0.22 -0.03 0.00 0.11 0.00 0.00 31.00 31.10 2wkl h PRO 159 CO 0.01 0.65 0.35 -0.07 -0.21 0.00 0.00 178.00 178.73 2wkl h LEU 160 N 1.01 0.82 -0.12 2.35 3.38 -1.24 -1.69 115.31 119.82 2wkl h LEU 160 Ca 0.37 -0.10 0.02 0.00 0.09 0.00 0.00 57.88 58.26 2wkl h LEU 160 Cb 0.13 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 2wkl h LEU 160 CO -0.16 0.68 -0.00 0.40 0.09 0.00 0.00 178.44 179.45 2wkl h ILE 161 N 0.89 0.91 -0.32 1.22 2.04 0.38 -1.32 117.51 121.31 2wkl h ILE 161 Ca 0.23 -0.01 0.07 0.00 1.00 0.00 0.00 64.86 66.15 2wkl h ILE 161 Cb 0.05 0.87 -0.07 0.00 -0.74 0.00 0.00 36.82 36.94 2wkl h ILE 161 CO -0.04 0.01 -0.13 0.45 0.00 0.00 0.00 178.15 178.44 2wkl h HIS 162 N 0.04 -0.32 -1.00 1.37 3.86 -0.32 -0.07 115.15 118.71 2wkl h HIS 162 Ca 0.06 0.03 0.04 0.00 -1.16 0.00 0.00 60.37 59.34 2wkl h HIS 162 Cb 0.07 0.19 -0.06 0.00 1.06 0.00 0.00 27.41 28.67 2wkl h HIS 162 CO -0.14 -0.20 0.65 0.00 0.86 0.00 0.00 177.93 179.10 2wkl h ARG 163 N -0.08 1.23 0.17 2.45 3.08 -1.07 0.67 114.38 120.84 2wkl h ARG 163 Ca 0.16 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.14 2wkl h ARG 163 Cb 0.32 -0.28 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 2wkl h ARG 163 CO -0.37 0.82 -0.15 0.00 -1.07 0.00 0.00 179.97 179.20 2wkl h ALA 164 N 1.41 -0.31 -0.25 0.04 0.00 0.10 -0.95 119.26 119.29 2wkl h ALA 164 Ca 0.40 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.31 2wkl h ALA 164 Cb -0.00 0.20 -0.05 0.00 0.00 0.00 0.00 17.79 17.94 2wkl h ALA 164 CO -0.12 -0.69 -0.09 -0.07 0.00 0.00 0.00 179.25 178.27 2wkl h LEU 165 N -0.34 -0.32 -0.97 0.00 3.38 -0.21 0.48 115.31 117.32 2wkl h LEU 165 Ca -0.00 0.09 0.22 0.00 0.09 0.00 0.00 57.88 58.28 2wkl h LEU 165 Cb 0.31 0.19 -0.12 0.00 0.09 0.00 0.00 40.66 41.13 2wkl h LEU 165 CO -0.02 -0.12 0.55 1.56 0.09 0.00 0.00 178.44 180.49 2wkl h GLN 166 N -0.05 0.57 0.00 1.13 1.08 -0.60 -1.49 115.11 115.75 2wkl h GLN 166 Ca 0.13 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.30 2wkl h GLN 166 Cb 0.24 -0.13 0.00 0.00 -0.05 0.00 0.00 27.48 27.54 2wkl h GLN 166 CO -0.29 0.38 -0.08 -0.07 -0.95 0.00 0.00 178.83 177.82 2wkl h LEU 167 N 0.59 0.00 -9.86 1.46 3.38 0.44 -3.46 115.31 107.86 2wkl h LEU 167 Ca 0.60 -0.01 -0.52 0.00 0.09 0.00 0.00 57.88 58.04 2wkl h LEU 167 Cb 1.09 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.81 2wkl h LEU 167 CO -0.46 0.01 0.09 0.00 0.09 0.00 0.00 178.44 178.16 2wkl s ALA 168 N -3.17 3.43 -0.18 1.53 0.00 -0.39 -4.31 121.76 118.67 2wkl s ALA 168 Ca 0.08 0.13 0.01 0.00 0.00 0.00 0.00 51.96 52.19 2wkl s ALA 168 Cb 0.09 -2.79 -0.22 0.00 0.00 0.00 0.00 23.12 20.20 2wkl s ALA 168 CO 0.65 0.34 0.12 1.04 0.00 0.00 0.00 175.76 177.91 2wkl n GLN 169 N 0.69 0.70 -1.84 0.00 6.02 -1.26 -4.89 117.38 116.80 2wkl n GLN 169 Ca -0.02 0.19 -0.41 0.00 -0.01 0.00 0.00 57.00 56.75 2wkl n GLN 169 Cb 0.51 -1.62 -0.00 0.00 1.02 0.00 0.00 30.24 30.15 2wkl n GLN 169 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 2wkl s ARG 170 N -2.54 4.11 0.26 -1.09 0.52 -1.26 -4.95 118.95 114.00 2wkl s ARG 170 Ca -0.24 2.52 -0.31 0.00 -0.52 0.00 0.00 55.73 57.18 2wkl s ARG 170 Cb 0.08 -2.96 -0.12 0.00 0.52 0.00 0.00 34.95 32.47 2wkl s ARG 170 CO 0.71 -0.51 1.66 -0.35 0.02 0.00 0.00 175.30 176.83 2wkl n PRO 171 N 0.45 2.77 -3.98 3.54 -0.04 -1.26 -4.99 135.00 131.49 2wkl n PRO 171 Ca 0.01 0.99 -0.36 0.00 -0.04 0.00 0.00 63.50 64.10 2wkl n PRO 171 Cb 0.40 -2.81 -0.07 0.00 -0.04 0.00 0.00 33.50 30.98 2wkl n PRO 171 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2wkl s VAL 172 N 0.49 5.15 -0.17 0.52 1.01 -1.26 -4.84 120.40 121.30 2wkl s VAL 172 Ca 0.68 0.08 -0.07 0.00 0.00 0.00 0.00 61.98 62.67 2wkl s VAL 172 Cb -0.49 -3.26 -0.04 0.00 0.00 0.00 0.00 36.38 32.59 2wkl s VAL 172 CO 0.42 0.57 0.07 -0.44 0.00 0.00 0.00 175.10 175.72 2wkl s SER 173 N -0.64 5.72 -0.06 3.32 0.01 -0.24 -4.97 113.70 116.84 2wkl s SER 173 Ca 0.12 0.13 -0.15 0.00 1.31 0.00 0.00 55.95 57.36 2wkl s SER 173 Cb -0.12 -1.95 -0.05 0.00 0.21 0.00 0.00 66.02 64.11 2wkl s SER 173 CO 0.02 0.21 0.39 -0.76 0.41 0.00 0.00 173.24 173.52 2wkl s LEU 174 N 0.16 4.39 -0.07 2.44 1.43 -1.26 -0.99 118.68 124.79 2wkl s LEU 174 Ca 0.05 0.84 0.03 0.00 -1.03 0.00 0.00 54.13 54.03 2wkl s LEU 174 Cb -0.12 -2.56 0.00 0.00 0.03 0.00 0.00 46.19 43.55 2wkl s LEU 174 CO 0.00 0.22 -0.17 -0.22 0.23 0.00 0.00 176.35 176.42 2wkl s LEU 175 N -0.47 1.84 -0.02 1.79 2.96 0.31 -0.95 118.68 124.15 2wkl s LEU 175 Ca 0.23 -0.38 0.07 0.00 -0.22 0.00 0.00 54.13 53.83 2wkl s LEU 175 Cb -0.16 -1.02 -0.02 0.00 0.50 0.00 0.00 46.19 45.50 2wkl s LEU 175 CO 0.11 0.10 -0.24 0.00 -1.32 0.00 0.00 176.35 175.00 2wkl s ALA 176 N 0.38 2.25 -0.03 5.97 0.00 -0.77 0.14 121.76 129.69 2wkl s ALA 176 Ca -0.12 -1.11 -0.01 0.00 0.00 0.00 0.00 51.96 50.71 2wkl s ALA 176 Cb -0.15 -0.61 0.02 0.00 0.00 0.00 0.00 23.12 22.39 2wkl s ALA 176 CO 0.05 0.53 0.06 -1.12 0.00 0.00 0.00 175.76 175.28 2wkl s SER 177 N -0.70 -0.01 0.23 0.00 0.01 -0.98 -0.72 113.70 111.53 2wkl s SER 177 Ca 0.10 0.11 -0.14 0.00 1.31 0.00 0.00 55.95 57.34 2wkl s SER 177 Cb -0.10 0.04 -0.08 0.00 0.21 0.00 0.00 66.02 66.09 2wkl s SER 177 CO -0.00 -0.09 0.62 -2.16 0.41 0.00 0.00 173.24 172.02 2wkl s PRO 178 N 0.67 3.97 -0.27 12.44 0.04 -1.26 -0.84 135.00 149.75 2wkl s PRO 178 Ca -0.05 0.53 -0.15 0.00 0.04 0.00 0.00 61.00 61.36 2wkl s PRO 178 Cb -0.08 -2.70 -0.12 0.00 0.04 0.00 0.00 34.50 31.64 2wkl s PRO 178 CO -0.02 0.33 -0.31 0.91 0.04 0.00 0.00 177.00 177.95 2wkl n TRP 179 N 0.19 0.10 -4.17 0.56 5.03 -1.26 -0.81 117.44 117.07 2wkl n TRP 179 Ca -0.01 0.04 -0.17 0.00 3.03 0.00 0.00 57.50 60.40 2wkl n TRP 179 Cb 0.52 -0.99 -0.12 0.00 -1.03 0.00 0.00 31.31 29.69 2wkl n TRP 179 CO 0.00 0.00 0.00 -0.08 -0.03 0.00 0.00 177.69 177.58 2wkl s THR 180 N -2.51 0.83 0.82 -0.99 -1.32 -1.26 -2.50 115.64 108.70 2wkl s THR 180 Ca -0.38 -1.04 -0.12 0.00 -1.21 0.00 0.00 61.69 58.95 2wkl s THR 180 Cb 0.14 -0.81 0.10 0.00 -1.51 0.00 0.00 72.50 70.41 2wkl s THR 180 CO 0.50 -0.19 1.17 -0.94 -2.21 0.00 0.00 174.62 172.95 2wkl s SER 181 N -1.37 4.34 0.67 8.08 1.04 -1.26 -4.96 113.70 120.24 2wkl s SER 181 Ca -0.04 0.64 -0.17 0.00 0.48 0.00 0.00 55.95 56.87 2wkl s SER 181 Cb -0.09 -1.09 -0.05 0.00 0.10 0.00 0.00 66.02 64.90 2wkl s SER 181 CO 0.01 -1.98 0.60 -2.65 0.98 0.00 0.00 173.24 170.20 2wkl n PRO 182 N -3.32 0.43 0.24 4.02 -0.02 -1.26 -4.86 135.00 130.22 2wkl n PRO 182 Ca 0.09 0.18 0.14 0.00 -2.02 0.00 0.00 63.50 61.89 2wkl n PRO 182 Cb 0.61 -1.86 0.36 0.00 -0.02 0.00 0.00 33.50 32.59 2wkl n PRO 182 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 2wkl h THR 183 N -0.12 0.03 0.00 3.45 1.35 -1.88 -2.53 112.91 113.22 2wkl h THR 183 Ca -0.46 -0.86 0.00 0.00 -0.55 0.00 0.00 66.41 64.54 2wkl h THR 183 Cb 1.36 1.83 0.00 0.00 -1.73 0.00 0.00 68.15 69.61 2wkl h THR 183 CO 0.45 0.02 0.00 -2.67 -0.25 0.00 0.00 175.52 173.06 2wkl n TRP 184 N -3.11 0.00 1.28 4.73 4.27 -1.26 -2.31 117.44 121.05 2wkl n TRP 184 Ca 0.03 0.00 0.13 0.00 -3.89 0.00 0.00 57.50 53.77 2wkl n TRP 184 Cb 0.45 -0.14 0.37 0.00 -1.36 0.00 0.00 31.31 30.63 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 -1.14 2.07 -4.39 5.67 4.77 -0.95 -4.83 117.00 118.20 2wkl n LEU 185 Ca 0.19 -0.71 -0.31 0.00 -0.03 0.00 0.00 56.01 55.15 2wkl n LEU 185 Cb 0.17 -0.01 -0.14 0.00 -2.33 0.00 0.00 43.42 41.10 2wkl n LEU 185 CO 0.20 0.35 -0.53 -0.54 -1.33 0.00 0.00 177.39 175.55 2wkl s LYS 186 N -1.97 2.05 0.46 3.23 1.02 -0.98 -1.15 119.74 122.41 2wkl s LYS 186 Ca 0.34 -0.97 0.22 0.00 0.02 0.00 0.00 55.97 55.58 2wkl s LYS 186 Cb 0.21 -2.11 1.22 0.00 -0.52 0.00 0.00 37.83 36.62 2wkl s LYS 186 CO 0.32 0.55 1.89 1.79 -0.92 0.00 0.00 175.35 178.97 2wkl h THR 187 N 4.22 0.67 -0.01 2.17 1.35 -0.90 -2.44 112.91 117.96 2wkl h THR 187 Ca -0.46 -0.09 0.00 0.00 -0.55 0.00 0.00 66.41 65.31 2wkl h THR 187 Cb 1.14 0.39 0.00 0.00 -1.73 0.00 0.00 68.15 67.95 2wkl h THR 187 CO 0.46 0.05 -0.57 -0.46 -0.25 0.00 0.00 175.52 174.75 2wkl n ASN 188 N -4.43 1.83 -2.69 5.36 6.94 -1.26 -4.99 115.26 116.02 2wkl n ASN 188 Ca 0.17 -1.42 -0.21 0.00 -0.02 0.00 0.00 54.58 53.11 2wkl n ASN 188 Cb 0.73 0.58 0.02 0.00 -2.36 0.00 0.00 39.78 38.75 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 1.43 -0.47 3.13 4.83 0.00 -0.92 -4.99 105.19 108.20 2wkl n GLY 189 Ca 0.08 0.05 -0.08 0.00 0.00 0.00 0.00 46.02 46.07 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 -3.11 0.13 0.07 4.61 0.00 -1.26 -4.89 121.76 117.32 2wkl s ALA 190 Ca 0.19 -0.86 0.18 0.00 0.00 0.00 0.00 51.96 51.47 2wkl s ALA 190 Cb -0.08 0.33 0.52 0.00 0.00 0.00 0.00 23.12 23.90 2wkl s ALA 190 CO 0.23 -0.40 1.66 -0.39 0.00 0.00 0.00 175.76 176.86 2wkl h VAL 191 N 3.16 0.84 -3.25 0.00 -1.51 -1.92 -3.46 116.25 110.12 2wkl h VAL 191 Ca -0.34 -1.70 0.00 0.00 -1.23 0.00 0.00 66.70 63.44 2wkl h VAL 191 Cb 1.17 2.06 0.00 0.00 -2.13 0.00 0.00 31.29 32.39 2wkl h VAL 191 CO 0.59 0.39 0.00 -0.46 -1.23 0.00 0.00 177.57 176.86 2wkl n ASN 192 N -3.42 1.52 0.00 4.19 0.23 -1.26 -1.86 115.26 114.66 2wkl n ASN 192 Ca 0.00 -0.73 0.00 0.00 -0.53 0.00 0.00 54.58 53.33 2wkl n ASN 192 Cb 0.57 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.27 2wkl n ASN 192 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2wkl n GLY 193 N 3.80 -1.13 3.67 4.83 0.00 -0.36 -4.80 105.19 111.20 2wkl n GLY 193 Ca 0.00 -1.63 -0.42 0.00 0.00 0.00 0.00 46.02 43.97 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 -1.92 4.22 0.00 1.61 2.20 -1.21 -4.66 119.74 119.98 2wkl s LYS 194 Ca 0.00 2.08 0.00 0.00 -0.36 0.00 0.00 55.97 57.69 2wkl s LYS 194 Cb 0.00 -3.76 0.00 0.00 -1.51 0.00 0.00 37.83 32.56 2wkl s LYS 194 CO 0.00 -0.72 0.00 0.41 -0.36 0.00 0.00 175.35 174.68 2wkl n GLY 195 N 3.89 1.61 2.46 5.54 0.00 0.06 -4.68 105.19 114.07 2wkl n GLY 195 Ca 0.15 -0.14 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 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 1.12 -4.77 1.61 3.41 -1.26 -1.22 113.62 112.51 2wkl n SER 196 Ca 0.00 -2.59 -0.40 0.00 -0.26 0.00 0.00 58.87 55.61 2wkl n SER 196 Cb 0.00 0.77 0.01 0.00 -0.26 0.00 0.00 64.21 64.73 2wkl n SER 196 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2wkl s LEU 197 N 0.00 4.18 0.90 1.04 1.43 -1.26 -0.28 118.68 124.69 2wkl s LEU 197 Ca 0.15 2.93 -0.12 0.00 -1.03 0.00 0.00 54.13 56.07 2wkl s LEU 197 Cb 0.01 -3.86 0.13 0.00 0.03 0.00 0.00 46.19 42.50 2wkl s LEU 197 CO 0.11 -1.07 1.09 -0.54 0.23 0.00 0.00 176.35 176.18 2wkl s LYS 198 N -2.33 1.20 5.55 1.70 1.02 -0.30 -4.61 119.74 121.96 2wkl s LYS 198 Ca 0.58 0.81 0.00 0.00 0.02 0.00 0.00 55.97 57.38 2wkl s LYS 198 Cb -0.44 -1.80 0.00 0.00 -0.52 0.00 0.00 37.83 35.07 2wkl s LYS 198 CO 0.57 -2.28 0.00 0.41 -0.92 0.00 0.00 175.35 173.14 2wkl n GLY 199 N -1.11 2.91 3.31 -3.33 0.00 -1.26 -4.63 105.19 101.08 2wkl n GLY 199 Ca 0.07 -0.31 -0.13 0.00 0.00 0.00 0.00 46.02 45.65 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 0.88 0.41 1.61 -2.07 -1.26 -5.08 119.66 114.15 2wkl s GLN 200 Ca 0.00 -0.32 -0.23 0.00 -1.82 0.00 0.00 55.36 52.99 2wkl s GLN 200 Cb 0.00 0.39 -0.13 0.00 -1.09 0.00 0.00 33.01 32.19 2wkl s GLN 200 CO 0.00 -0.29 0.57 -2.30 -1.32 0.00 0.00 175.29 171.95 2wkl n PRO 201 N 0.64 0.60 0.00 9.60 -0.02 -1.26 -1.57 135.00 142.99 2wkl n PRO 201 Ca -0.19 0.22 0.00 0.00 -2.02 0.00 0.00 63.50 61.51 2wkl n PRO 201 Cb 0.59 -1.51 0.00 0.00 -0.02 0.00 0.00 33.50 32.56 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 1.76 3.13 3.08 -1.23 0.00 -1.26 -5.04 105.19 105.64 2wkl n GLY 202 Ca 0.12 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.93 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 0.00 0.67 0.17 1.61 5.68 -0.61 -4.78 116.55 119.29 2wkl n ASP 203 Ca 0.00 -1.69 0.03 0.00 -0.50 0.00 0.00 54.79 52.63 2wkl n ASP 203 Cb 0.00 -0.64 0.28 0.00 -1.14 0.00 0.00 41.12 39.62 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 -0.99 1.09 -0.27 2.12 2.10 -1.96 0.14 117.51 119.74 2wkl h ILE 204 Ca -0.30 -1.73 -0.07 0.00 1.08 0.00 0.00 64.86 63.84 2wkl h ILE 204 Cb 0.96 2.00 -0.01 0.00 -1.09 0.00 0.00 36.82 38.69 2wkl h ILE 204 CO 0.27 0.45 -0.12 1.88 -1.08 0.00 0.00 178.15 179.55 2wkl h TYR 205 N 0.00 0.65 -0.26 2.19 -1.99 -1.91 -1.74 116.97 113.90 2wkl h TYR 205 Ca -0.00 -0.16 -0.12 0.00 2.00 0.00 0.00 58.73 60.45 2wkl h TYR 205 Cb 0.96 -0.15 -0.01 0.00 2.00 0.00 0.00 36.73 39.53 2wkl h TYR 205 CO 0.00 0.80 -0.33 0.45 -0.00 0.00 0.00 178.16 179.09 2wkl h HIS 206 N 0.30 0.65 -0.44 4.88 3.86 -1.69 -2.24 115.15 120.48 2wkl h HIS 206 Ca 0.06 -0.17 -0.12 0.00 -1.16 0.00 0.00 60.37 58.99 2wkl h HIS 206 Cb 0.63 -0.15 -0.01 0.00 1.06 0.00 0.00 27.41 28.94 2wkl h HIS 206 CO 0.06 0.82 -0.21 1.96 0.86 0.00 0.00 177.93 181.43 2wkl h GLN 207 N 0.48 0.87 -0.38 2.45 1.08 -0.75 -1.94 115.11 116.91 2wkl h GLN 207 Ca 0.06 -0.35 -0.01 0.00 -1.45 0.00 0.00 58.65 56.89 2wkl h GLN 207 Cb 0.80 -0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 28.18 2wkl h GLN 207 CO 0.07 0.99 0.19 1.15 -0.95 0.00 0.00 178.83 180.28 2wkl h THR 208 N 0.76 1.16 -0.73 -0.54 2.02 -1.16 -0.68 112.91 113.74 2wkl h THR 208 Ca 0.10 -0.44 -0.06 0.00 0.77 0.00 0.00 66.41 66.79 2wkl h THR 208 Cb 0.74 0.75 -0.03 0.00 -1.74 0.00 0.00 68.15 67.88 2wkl h THR 208 CO 0.06 0.17 0.22 -0.25 0.37 0.00 0.00 175.52 176.08 2wkl h TRP 209 N 0.48 1.18 -0.80 3.16 -0.00 -1.35 -1.38 115.95 117.24 2wkl h TRP 209 Ca 0.13 -0.12 -0.03 0.00 -0.00 0.00 0.00 58.89 58.87 2wkl h TRP 209 Cb 0.09 -0.34 -0.04 0.00 -0.00 0.00 0.00 29.16 28.88 2wkl h TRP 209 CO -0.02 0.94 0.40 0.00 -0.00 0.00 0.00 178.44 179.76 2wkl h ALA 210 N 1.11 1.20 0.00 2.65 0.00 -0.99 -2.02 119.26 121.21 2wkl h ALA 210 Ca 0.23 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 2wkl h ALA 210 Cb 0.32 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2wkl h ALA 210 CO -0.01 0.62 -0.24 0.00 0.00 0.00 0.00 179.25 179.63 2wkl h ARG 211 N 1.13 0.00 -0.71 0.00 3.08 -0.37 -2.83 114.38 114.69 2wkl h ARG 211 Ca 0.28 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.27 2wkl h ARG 211 Cb 0.09 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.11 2wkl h ARG 211 CO -0.04 0.24 0.21 -0.92 -1.07 0.00 0.00 179.97 178.39 2wkl h TYR 212 N 0.00 1.14 -0.66 3.04 3.20 -0.51 0.25 116.97 123.43 2wkl h TYR 212 Ca -0.00 -0.12 0.10 0.00 3.14 0.00 0.00 58.73 61.85 2wkl h TYR 212 Cb 0.67 -0.33 -0.08 0.00 1.54 0.00 0.00 36.73 38.53 2wkl h TYR 212 CO 0.00 0.91 0.27 0.74 -1.64 0.00 0.00 178.16 178.45 2wkl h PHE 213 N 1.04 0.48 -0.40 -3.82 -1.00 -1.40 0.31 116.94 112.15 2wkl h PHE 213 Ca 0.23 0.03 -0.07 0.00 2.81 0.00 0.00 57.97 60.97 2wkl h PHE 213 Cb 0.31 -0.12 -0.01 0.00 3.61 0.00 0.00 35.95 39.74 2wkl h PHE 213 CO 0.02 0.13 -0.01 0.28 -1.61 0.00 0.00 178.31 177.13 2wkl h VAL 214 N 0.47 1.26 -0.56 -0.55 2.07 -0.95 -1.22 116.25 116.78 2wkl h VAL 214 Ca 0.34 -1.03 -0.02 0.00 0.82 0.00 0.00 66.70 66.81 2wkl h VAL 214 Cb 0.41 1.12 -0.03 0.00 -1.52 0.00 0.00 31.29 31.28 2wkl h VAL 214 CO -0.31 0.35 0.27 0.11 0.02 0.00 0.00 177.57 178.00 2wkl h LYS 215 N 0.55 0.79 -0.18 1.57 1.79 -0.29 0.12 116.57 120.92 2wkl h LYS 215 Ca 0.11 -0.10 -0.00 0.00 -2.18 0.00 0.00 60.65 58.48 2wkl h LYS 215 Cb 0.49 -0.15 -0.01 0.00 -1.58 0.00 0.00 32.23 30.98 2wkl h LYS 215 CO 0.02 0.61 0.10 0.35 -1.08 0.00 0.00 179.45 179.45 2wkl h PHE 216 N 0.79 0.24 -0.37 -1.35 3.57 -0.44 -0.77 116.94 118.60 2wkl h PHE 216 Ca 0.20 -0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.59 2wkl h PHE 216 Cb 0.09 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 38.74 2wkl h PHE 216 CO 0.01 0.23 -0.19 -0.07 -2.23 0.00 0.00 178.31 176.06 2wkl h LEU 217 N 0.18 0.71 -0.37 0.59 3.38 -0.54 -0.58 115.31 118.68 2wkl h LEU 217 Ca 0.06 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 2wkl h LEU 217 Cb 0.07 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 2wkl h LEU 217 CO -0.01 0.90 0.20 0.44 0.09 0.00 0.00 178.44 180.06 2wkl h ASP 218 N 0.63 0.46 -0.35 -0.43 3.32 -0.59 0.15 116.42 119.60 2wkl h ASP 218 Ca 0.10 -0.08 -0.05 0.00 0.02 0.00 0.00 57.03 57.01 2wkl h ASP 218 Cb 0.67 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.09 2wkl h ASP 218 CO 0.05 0.41 0.03 0.00 -1.72 0.00 0.00 179.24 178.00 2wkl h ALA 219 N 1.07 0.47 -0.76 3.45 0.00 -0.84 -2.13 119.26 120.53 2wkl h ALA 219 Ca 0.13 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 2wkl h ALA 219 Cb 0.05 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 2wkl h ALA 219 CO -0.02 0.21 0.36 1.88 0.00 0.00 0.00 179.25 181.68 2wkl h TYR 220 N 0.43 1.10 0.00 0.00 -1.99 -0.94 -2.20 116.97 113.37 2wkl h TYR 220 Ca 0.10 -0.06 -0.00 0.00 2.00 0.00 0.00 58.73 60.78 2wkl h TYR 220 Cb 0.41 -0.34 -0.00 0.00 2.00 0.00 0.00 36.73 38.80 2wkl h TYR 220 CO 0.03 0.81 -0.01 0.00 -0.00 0.00 0.00 178.16 178.99 2wkl h ALA 221 N 1.18 1.41 0.00 3.88 0.00 -0.46 0.01 119.26 125.27 2wkl h ALA 221 Ca 0.26 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 55.07 2wkl h ALA 221 Cb 0.13 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2wkl h ALA 221 CO -0.03 0.01 -0.46 1.49 0.00 0.00 0.00 179.25 180.26 2wkl h GLU 222 N 0.00 0.00 -0.85 0.00 4.81 -0.73 -1.89 114.58 115.92 2wkl h GLU 222 Ca -0.00 0.00 -0.25 0.00 -0.13 0.00 0.00 59.36 58.98 2wkl h GLU 222 Cb 0.03 0.00 -0.15 0.00 0.63 0.00 0.00 28.75 29.26 2wkl h GLU 222 CO 0.00 0.46 0.31 0.72 -0.73 0.00 0.00 179.01 179.78 2wkl n HIS 223 N -3.65 2.24 -3.23 0.92 8.25 -0.08 -4.93 115.22 114.74 2wkl n HIS 223 Ca -0.01 -1.19 -0.23 0.00 -0.26 0.00 0.00 57.72 56.03 2wkl n HIS 223 Cb 0.54 -0.67 0.03 0.00 1.12 0.00 0.00 29.99 31.02 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 -0.27 -5.13 -5.16 -0.41 5.02 -0.71 -5.02 118.16 106.47 2wkl n LYS 224 Ca 0.39 0.80 -0.32 0.00 -2.02 0.00 0.00 58.31 57.16 2wkl n LYS 224 Cb 1.30 -5.67 -0.15 0.00 -0.02 0.00 0.00 35.03 30.50 2wkl n LYS 224 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2wkl s LEU 225 N -6.79 2.28 0.08 -0.35 1.43 -0.78 -4.98 118.68 109.57 2wkl s LEU 225 Ca 0.39 -0.38 0.09 0.00 -1.03 0.00 0.00 54.13 53.20 2wkl s LEU 225 Cb -0.18 -1.42 -0.03 0.00 0.03 0.00 0.00 46.19 44.59 2wkl s LEU 225 CO 0.48 0.32 -0.25 -1.10 0.23 0.00 0.00 176.35 176.03 2wkl s GLN 226 N -0.60 1.52 -0.04 1.70 -1.52 -1.26 -2.67 119.66 116.79 2wkl s GLN 226 Ca 0.09 -1.18 -0.08 0.00 -1.95 0.00 0.00 55.36 52.25 2wkl s GLN 226 Cb -0.11 -1.81 -0.05 0.00 -0.22 0.00 0.00 33.01 30.83 2wkl s GLN 226 CO -0.00 0.45 0.24 -0.06 -0.25 0.00 0.00 175.29 175.66 2wkl s PHE 227 N -0.94 3.61 0.05 0.91 0.40 -1.26 -4.50 117.98 116.24 2wkl s PHE 227 Ca 0.11 0.60 -0.17 0.00 -0.60 0.00 0.00 56.93 56.88 2wkl s PHE 227 Cb -0.10 -2.00 -0.22 0.00 0.51 0.00 0.00 43.02 41.21 2wkl s PHE 227 CO 0.04 0.67 1.17 2.35 0.70 0.00 0.00 175.22 180.14 2wkl h TRP 228 N 4.43 0.84 -3.36 0.36 7.01 -1.39 -3.43 115.95 120.42 2wkl h TRP 228 Ca -0.52 -0.44 -0.05 0.00 2.11 0.00 0.00 58.89 60.00 2wkl h TRP 228 Cb 1.21 -0.10 -0.13 0.00 -2.10 0.00 0.00 29.16 28.04 2wkl h TRP 228 CO 0.71 1.26 -0.04 0.00 -2.79 0.00 0.00 178.44 177.58 2wkl s ALA 229 N -3.36 -0.98 0.11 2.65 0.00 -1.09 -1.43 121.76 117.65 2wkl s ALA 229 Ca -0.12 -0.03 0.05 0.00 0.00 0.00 0.00 51.96 51.87 2wkl s ALA 229 Cb 0.06 0.73 -0.04 0.00 0.00 0.00 0.00 23.12 23.87 2wkl s ALA 229 CO 0.87 -0.67 -0.12 0.14 0.00 0.00 0.00 175.76 175.98 2wkl s VAL 230 N -3.81 1.12 0.29 0.00 -7.23 0.51 -1.86 120.40 109.42 2wkl s VAL 230 Ca 0.03 -1.65 0.02 0.00 -1.81 0.00 0.00 61.98 58.57 2wkl s VAL 230 Cb 0.01 -1.42 -0.03 0.00 0.56 0.00 0.00 36.38 35.51 2wkl s VAL 230 CO -0.11 -0.48 0.46 0.42 -0.31 0.00 0.00 175.10 175.08 2wkl s THR 231 N -2.25 5.18 -0.59 5.32 -4.23 0.10 -0.92 115.64 118.25 2wkl s THR 231 Ca 0.06 -0.65 0.25 0.00 -1.18 0.00 0.00 61.69 60.17 2wkl s THR 231 Cb -0.04 -3.85 0.27 0.00 1.34 0.00 0.00 72.50 70.23 2wkl s THR 231 CO 0.01 -0.43 1.75 0.00 -0.54 0.00 0.00 174.62 175.42 2wkl n ALA 232 N -1.50 1.99 0.00 3.99 0.00 -0.50 -4.67 120.51 119.82 2wkl n ALA 232 Ca -0.06 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.41 2wkl n ALA 232 Cb 0.56 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.58 2wkl n ALA 232 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2wkl n GLU 233 N -2.29 0.00 -2.20 0.00 4.07 -1.26 -4.95 120.64 114.00 2wkl n GLU 233 Ca 0.04 0.00 -0.42 0.00 -0.06 0.00 0.00 57.16 56.72 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 6.86 -0.67 4.31 2.47 0.01 -3.92 114.94 123.99 2wkl s ASN 234 Ca 0.00 2.31 -0.09 0.00 0.42 0.00 0.00 52.86 55.50 2wkl s ASN 234 Cb 0.00 -2.59 0.01 0.00 -1.45 0.00 0.00 41.25 37.22 2wkl s ASN 234 CO 0.00 -0.61 0.44 -0.62 -3.72 0.00 0.00 177.10 172.58 2wkl n GLU 235 N 3.74 -0.85 -0.32 0.43 1.02 -0.25 -4.72 120.64 119.70 2wkl n GLU 235 Ca 0.10 0.28 0.29 0.00 -0.02 0.00 0.00 57.16 57.82 2wkl n GLU 235 Cb 0.43 -1.49 0.64 0.00 -0.02 0.00 0.00 31.44 31.00 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 -0.27 0.18 0.00 3.49 0.13 -1.75 -0.47 132.00 133.31 2wkl h PRO 236 Ca -0.47 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2wkl h PRO 236 Cb 0.98 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.07 2wkl h PRO 236 CO 0.29 0.12 0.00 0.66 -0.23 0.00 0.00 178.00 178.84 2wkl h SER 237 N 0.18 0.00 -0.07 1.44 4.64 -1.86 -2.41 113.55 115.47 2wkl h SER 237 Ca 0.58 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.80 2wkl h SER 237 Cb 1.90 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.97 2wkl h SER 237 CO -0.15 0.00 -0.25 0.00 -0.87 0.00 0.00 176.83 175.56 2wkl h ALA 238 N 2.11 1.09 0.00 5.18 0.00 -1.41 -2.97 119.26 123.27 2wkl h ALA 238 Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.57 2wkl h ALA 238 Cb 0.51 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2wkl h ALA 238 CO 0.00 0.56 0.00 0.41 0.00 0.00 0.00 179.25 180.22 2wkl n GLY 239 N -0.38 -0.96 0.49 0.00 0.00 -1.12 -2.08 105.19 101.15 2wkl n GLY 239 Ca -0.00 -0.11 0.12 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.79 1.90 -4.55 0.99 4.77 -1.12 -0.76 117.00 117.45 2wkl n LEU 240 Ca 0.13 -0.67 -0.38 0.00 -0.03 0.00 0.00 56.01 55.06 2wkl n LEU 240 Cb 0.06 -0.02 -0.11 0.00 -2.33 0.00 0.00 43.42 41.01 2wkl n LEU 240 CO 0.10 0.35 -0.18 -0.76 -1.33 0.00 0.00 177.39 175.57 2wkl s LEU 241 N -2.42 4.02 0.17 2.23 1.02 -0.88 -4.91 118.68 117.91 2wkl s LEU 241 Ca 0.21 -0.15 -0.32 0.00 0.02 0.00 0.00 54.13 53.89 2wkl s LEU 241 Cb 0.19 -2.08 -0.16 0.00 0.02 0.00 0.00 46.19 44.15 2wkl s LEU 241 CO 0.53 -0.09 1.02 -0.24 0.02 0.00 0.00 176.35 177.58 2wkl n SER 242 N 5.04 0.69 -0.54 2.29 2.88 -1.26 -1.90 113.62 120.82 2wkl n SER 242 Ca -0.14 1.15 -0.07 0.00 -1.33 0.00 0.00 58.87 58.48 2wkl n SER 242 Cb 0.51 -1.14 -0.03 0.00 -0.75 0.00 0.00 64.21 62.81 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 1.85 0.77 3.61 0.46 0.00 -1.26 -4.83 105.19 105.78 2wkl n GLY 243 Ca 0.16 -0.10 -0.50 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.35 1.67 0.14 1.61 9.36 -0.80 -4.78 117.16 122.02 2wkl n TYR 244 Ca -0.07 0.56 0.02 0.00 3.32 0.00 0.00 57.90 61.73 2wkl n TYR 244 Cb 0.46 -2.37 0.13 0.00 -0.63 0.00 0.00 39.34 36.92 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 4.71 0.00 0.00 2.98 0.13 -1.92 -0.95 132.00 136.96 2wkl h PRO 245 Ca -0.47 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.55 2wkl h PRO 245 Cb 1.32 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.42 2wkl h PRO 245 CO 0.79 0.55 -0.11 1.97 -0.23 0.00 0.00 178.00 180.98 2wkl n PHE 246 N -3.41 -0.13 -1.67 1.56 1.16 -1.26 -4.84 117.46 108.86 2wkl n PHE 246 Ca 0.01 -0.62 -0.47 0.00 -1.87 0.00 0.00 57.45 54.50 2wkl n PHE 246 Cb 0.68 0.05 -0.04 0.00 -1.61 0.00 0.00 39.48 38.55 2wkl n PHE 246 CO 0.00 0.00 0.00 1.04 -1.87 0.00 0.00 176.76 175.93 2wkl n GLN 247 N -0.16 2.14 -3.69 3.97 3.00 -1.26 -4.44 117.38 116.95 2wkl n GLN 247 Ca 0.01 0.77 -0.06 0.00 -0.01 0.00 0.00 57.00 57.71 2wkl n GLN 247 Cb 0.14 -2.56 -0.02 0.00 0.00 0.00 0.00 30.24 27.80 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 -2.82 -0.68 0.12 0.00 2.96 -1.04 -4.49 118.68 112.72 2wkl s LEU 249 Ca 0.09 0.50 -0.30 0.00 -0.22 0.00 0.00 54.13 54.20 2wkl s LEU 249 Cb -0.02 1.25 -0.06 0.00 0.50 0.00 0.00 46.19 47.85 2wkl s LEU 249 CO -0.01 -0.28 1.12 -0.83 -1.32 0.00 0.00 176.35 175.03 2wkl s GLY 250 N 2.58 2.71 -0.02 7.98 0.00 -0.36 -4.48 107.32 115.73 2wkl s GLY 250 Ca 0.09 0.79 0.03 0.00 0.00 0.00 0.00 44.72 45.62 2wkl s GLY 250 CO -0.15 1.79 -0.10 -1.36 0.00 0.00 0.00 173.10 173.28 2wkl s PHE 251 N 0.36 1.01 0.74 1.90 0.40 -0.92 -4.41 117.98 117.05 2wkl s PHE 251 Ca 0.53 -0.24 -0.12 0.00 -0.60 0.00 0.00 56.93 56.50 2wkl s PHE 251 Cb -0.28 -0.70 0.04 0.00 0.51 0.00 0.00 43.02 42.58 2wkl s PHE 251 CO 0.32 -0.09 1.13 0.95 0.70 0.00 0.00 175.22 178.23 2wkl s THR 252 N 0.09 2.97 0.32 0.64 -4.23 -1.26 -4.34 115.64 109.83 2wkl s THR 252 Ca -0.02 0.32 -0.00 0.00 -1.18 0.00 0.00 61.69 60.81 2wkl s THR 252 Cb -0.08 -3.31 0.26 0.00 1.34 0.00 0.00 72.50 70.71 2wkl s THR 252 CO 0.00 -0.41 1.98 -0.65 -0.54 0.00 0.00 174.62 175.00 2wkl h PRO 253 N -0.80 0.98 -0.55 3.99 0.11 -1.99 0.88 132.00 134.63 2wkl h PRO 253 Ca -0.45 -0.06 -0.06 0.00 0.11 0.00 0.00 66.00 65.53 2wkl h PRO 253 Cb 1.28 -0.22 -0.02 0.00 0.11 0.00 0.00 31.00 32.15 2wkl h PRO 253 CO 0.65 0.66 0.11 0.93 -0.21 0.00 0.00 178.00 180.13 2wkl h GLU 254 N 1.00 0.89 -0.64 1.05 3.07 -1.93 0.31 114.58 118.34 2wkl h GLU 254 Ca 0.27 -0.23 0.03 0.00 -0.50 0.00 0.00 59.36 58.93 2wkl h GLU 254 Cb -0.10 -0.11 -0.04 0.00 -0.84 0.00 0.00 28.75 27.66 2wkl h GLU 254 CO -0.06 0.86 0.40 1.25 -1.40 0.00 0.00 179.01 180.06 2wkl h HIS 255 N 0.79 0.74 -0.45 4.33 2.76 -1.76 0.01 115.15 121.57 2wkl h HIS 255 Ca 0.17 0.02 -0.07 0.00 -2.20 0.00 0.00 60.37 58.29 2wkl h HIS 255 Cb 0.38 -0.24 -0.02 0.00 1.55 0.00 0.00 27.41 29.08 2wkl h HIS 255 CO 0.03 0.42 0.02 0.37 -1.30 0.00 0.00 177.93 177.47 2wkl h GLN 256 N 0.78 0.78 0.25 5.26 4.15 -0.34 0.10 115.11 126.10 2wkl h GLN 256 Ca 0.26 -0.24 0.01 0.00 0.77 0.00 0.00 58.65 59.45 2wkl h GLN 256 Cb 0.02 -0.08 -0.03 0.00 0.21 0.00 0.00 27.48 27.60 2wkl h GLN 256 CO -0.11 0.83 -0.38 -0.09 -1.93 0.00 0.00 178.83 177.16 2wkl h ARG 257 N 0.64 -0.67 -0.35 1.69 2.43 -0.07 -0.81 114.38 117.24 2wkl h ARG 257 Ca 0.13 0.05 -0.13 0.00 -0.81 0.00 0.00 59.98 59.22 2wkl h ARG 257 Cb 0.46 0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 30.16 2wkl h ARG 257 CO 0.02 -0.45 -0.31 -0.44 -1.51 0.00 0.00 179.97 177.28 2wkl h ASP 258 N -0.70 0.78 -0.64 -3.80 3.32 -0.87 -1.07 116.42 113.44 2wkl h ASP 258 Ca -0.00 -0.31 0.02 0.00 0.02 0.00 0.00 57.03 56.75 2wkl h ASP 258 Cb 0.67 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.97 2wkl h ASP 258 CO -0.15 1.03 0.42 0.15 -1.72 0.00 0.00 179.24 178.98 2wkl h PHE 259 N 0.64 0.78 -0.07 4.55 3.57 -0.61 0.17 116.94 125.95 2wkl h PHE 259 Ca 0.07 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.52 2wkl h PHE 259 Cb 0.83 -0.26 0.00 0.00 2.79 0.00 0.00 35.95 39.31 2wkl h PHE 259 CO 0.04 0.48 -0.23 0.82 -2.23 0.00 0.00 178.31 177.19 2wkl h ILE 260 N 0.83 1.42 0.02 1.41 2.04 -0.29 -1.02 117.51 121.92 2wkl h ILE 260 Ca 0.24 -1.60 -0.00 0.00 1.00 0.00 0.00 64.86 64.50 2wkl h ILE 260 Cb -0.04 2.27 0.00 0.00 -0.74 0.00 0.00 36.82 38.31 2wkl h ILE 260 CO -0.06 0.46 -0.01 0.00 0.00 0.00 0.00 178.15 178.54 2wkl h ALA 261 N 0.45 -0.03 0.25 1.87 0.00 -0.98 0.64 119.26 121.47 2wkl h ALA 261 Ca -0.01 -0.09 -0.33 0.00 0.00 0.00 0.00 54.91 54.48 2wkl h ALA 261 Cb 0.86 0.01 0.04 0.00 0.00 0.00 0.00 17.79 18.69 2wkl h ALA 261 CO 0.05 -0.43 -1.46 -0.09 0.00 0.00 0.00 179.25 177.32 2wkl h ARG 262 N -0.20 0.53 0.00 0.00 9.65 -0.75 -3.40 114.38 120.20 2wkl h ARG 262 Ca -0.00 -0.90 0.00 0.00 -1.10 0.00 0.00 59.98 57.98 2wkl h ARG 262 Cb 0.19 0.33 0.00 0.00 -1.39 0.00 0.00 29.97 29.11 2wkl h ARG 262 CO 0.00 1.43 -0.03 -0.25 2.80 0.00 0.00 179.97 183.93 2wkl n ASP 263 N -3.74 0.63 -0.06 -3.80 8.00 -0.52 -4.69 116.55 112.38 2wkl n ASP 263 Ca -0.17 0.08 -0.05 0.00 0.71 0.00 0.00 54.79 55.35 2wkl n ASP 263 Cb 1.09 -0.21 0.14 0.00 -0.02 0.00 0.00 41.12 42.13 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 -0.03 0.68 0.75 0.64 5.85 -1.31 -0.65 115.31 121.25 2wkl h LEU 264 Ca 0.00 -0.22 -0.04 0.00 0.84 0.00 0.00 57.88 58.46 2wkl h LEU 264 Cb 0.03 -0.18 0.01 0.00 0.37 0.00 0.00 40.66 40.88 2wkl h LEU 264 CO 0.00 0.86 -0.36 1.23 -0.34 0.00 0.00 178.44 179.83 2wkl h GLY 265 N 0.98 -1.06 0.63 3.75 0.00 -1.08 -1.22 103.07 105.07 2wkl h GLY 265 Ca 0.10 0.39 0.06 0.00 0.00 0.00 0.00 47.33 47.88 2wkl h GLY 265 CO 0.05 -0.38 0.25 -2.55 0.00 0.00 0.00 176.54 173.90 2wkl h PRO 266 N -1.21 0.47 -0.02 4.80 0.11 -1.75 0.39 132.00 134.78 2wkl h PRO 266 Ca -0.10 -0.03 0.02 0.00 0.11 0.00 0.00 66.00 66.00 2wkl h PRO 266 Cb 0.78 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 31.76 2wkl h PRO 266 CO 0.17 0.31 -0.08 1.15 -0.21 0.00 0.00 178.00 179.34 2wkl h THR 267 N 0.48 0.78 -0.71 -1.15 2.02 -1.13 -0.11 112.91 113.09 2wkl h THR 267 Ca 0.25 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.43 2wkl h THR 267 Cb 0.21 0.78 -0.03 0.00 -1.74 0.00 0.00 68.15 67.37 2wkl h THR 267 CO -0.20 0.00 0.43 -0.07 0.37 0.00 0.00 175.52 176.05 2wkl h LEU 268 N -0.13 0.85 -0.94 2.58 3.38 -0.88 -2.98 115.31 117.17 2wkl h LEU 268 Ca 0.04 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 2wkl h LEU 268 Cb 0.19 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.68 2wkl h LEU 268 CO -0.10 0.65 0.56 0.00 0.09 0.00 0.00 178.44 179.64 2wkl h ALA 269 N 1.23 1.20 -0.16 1.53 0.00 -0.32 -2.67 119.26 120.08 2wkl h ALA 269 Ca 0.25 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2wkl h ALA 269 Cb -0.04 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 17.37 2wkl h ALA 269 CO -0.05 0.67 0.00 -1.71 0.00 0.00 0.00 179.25 178.16 2wkl n ASN 270 N -4.35 1.47 -4.72 0.00 5.15 -0.11 -4.62 115.26 108.09 2wkl n ASN 270 Ca 0.10 -2.10 -0.28 0.00 -0.60 0.00 0.00 54.58 51.71 2wkl n ASN 270 Cb 0.07 -0.31 -0.08 0.00 -0.53 0.00 0.00 39.78 38.92 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 -0.62 4.19 0.00 1.20 1.04 -1.01 -5.00 113.70 113.50 2wkl s SER 271 Ca 0.12 -1.31 0.14 0.00 0.48 0.00 0.00 55.95 55.38 2wkl s SER 271 Cb 0.08 -0.18 0.72 0.00 0.10 0.00 0.00 66.02 66.74 2wkl s SER 271 CO 0.06 -0.62 1.39 0.35 0.98 0.00 0.00 173.24 175.40 2wkl n THR 272 N -1.19 0.60 -1.04 2.02 -2.24 -1.26 -2.78 114.28 108.39 2wkl n THR 272 Ca -0.06 0.15 -0.04 0.00 -2.27 0.00 0.00 64.05 61.83 2wkl n THR 272 Cb 0.66 -0.92 0.32 0.00 -2.10 0.00 0.00 70.33 68.29 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 -1.29 2.33 0.31 4.78 8.25 -1.26 -4.66 115.22 123.68 2wkl n HIS 273 Ca 0.07 -1.15 0.17 0.00 -0.26 0.00 0.00 57.72 56.55 2wkl n HIS 273 Cb 0.11 -0.65 0.98 0.00 1.12 0.00 0.00 29.99 31.55 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 2.77 0.00 0.00 4.41 -0.00 -1.55 0.15 115.15 120.93 2wkl h HIS 274 Ca 0.22 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.59 2wkl h HIS 274 Cb 2.25 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 29.66 2wkl h HIS 274 CO 1.23 0.00 0.00 0.09 -0.00 0.00 0.00 177.93 179.25 2wkl n ASN 275 N -3.71 0.00 -4.73 3.10 3.02 -1.26 -4.77 115.26 106.91 2wkl n ASN 275 Ca -0.03 -0.13 -0.42 0.00 -0.03 0.00 0.00 54.58 53.97 2wkl n ASN 275 Cb 0.08 -0.28 -0.03 0.00 -0.61 0.00 0.00 39.78 38.94 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 -2.56 3.38 0.28 2.41 1.01 0.51 -4.96 120.40 120.48 2wkl s VAL 276 Ca 0.27 1.08 -0.18 0.00 0.00 0.00 0.00 61.98 63.16 2wkl s VAL 276 Cb 0.19 -3.69 -0.09 0.00 0.00 0.00 0.00 36.38 32.79 2wkl s VAL 276 CO 0.43 0.14 0.75 -0.13 0.00 0.00 0.00 175.10 176.28 2wkl s ARG 277 N 0.30 4.15 -0.18 2.72 1.81 -0.52 -4.92 118.95 122.31 2wkl s ARG 277 Ca 0.58 0.80 -0.05 0.00 -1.72 0.00 0.00 55.73 55.35 2wkl s ARG 277 Cb -0.35 -2.64 -0.03 0.00 -0.45 0.00 0.00 34.95 31.48 2wkl s ARG 277 CO 0.35 0.26 -0.00 -1.17 -0.68 0.00 0.00 175.30 174.06 2wkl s LEU 278 N -2.49 3.36 -0.04 2.53 2.96 -1.26 -0.36 118.68 123.39 2wkl s LEU 278 Ca 0.49 -0.12 0.01 0.00 -0.22 0.00 0.00 54.13 54.30 2wkl s LEU 278 Cb -0.13 -1.83 -0.03 0.00 0.50 0.00 0.00 46.19 44.69 2wkl s LEU 278 CO 0.19 0.13 -0.05 -0.76 -1.32 0.00 0.00 176.35 174.54 2wkl s LEU 279 N 0.61 3.28 0.47 -0.68 1.43 -0.10 -0.59 118.68 123.09 2wkl s LEU 279 Ca -0.01 -0.04 0.08 0.00 -1.03 0.00 0.00 54.13 53.14 2wkl s LEU 279 Cb -0.14 -1.80 0.02 0.00 0.03 0.00 0.00 46.19 44.30 2wkl s LEU 279 CO 0.02 0.33 0.56 0.00 0.23 0.00 0.00 176.35 177.49 2wkl s MET 280 N -1.13 2.57 0.95 1.70 0.23 -0.65 -1.41 119.30 121.57 2wkl s MET 280 Ca 0.15 -1.48 0.00 0.00 -1.03 0.00 0.00 55.69 53.33 2wkl s MET 280 Cb -0.11 -2.58 0.00 0.00 -1.53 0.00 0.00 34.83 30.61 2wkl s MET 280 CO 0.05 -0.43 0.00 -0.11 -2.03 0.00 0.00 175.02 172.50 2wkl n LEU 281 N -1.86 0.00 -3.68 0.18 7.94 -1.26 -1.05 117.00 117.27 2wkl n LEU 281 Ca 0.08 0.00 -0.21 0.00 -1.11 0.00 0.00 56.01 54.77 2wkl n LEU 281 Cb 0.61 0.00 0.04 0.00 0.53 0.00 0.00 43.42 44.60 2wkl n LEU 281 CO 0.40 0.00 -0.04 -0.67 -1.11 0.00 0.00 177.39 175.97 2wkl n ASP 282 N 4.41 -1.38 -2.65 1.96 2.03 0.15 -4.29 116.55 116.78 2wkl n ASP 282 Ca 0.00 -0.80 -0.11 0.00 0.52 0.00 0.00 54.79 54.40 2wkl n ASP 282 Cb 0.00 -4.15 -0.01 0.00 -0.72 0.00 0.00 41.12 36.24 2wkl n ASP 282 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 2wkl n ASP 283 N -3.06 -1.36 -4.69 1.67 -0.08 -1.18 -1.09 116.55 106.77 2wkl n ASP 283 Ca -0.29 -2.55 -0.40 0.00 -1.51 0.00 0.00 54.79 50.05 2wkl n ASP 283 Cb 0.67 2.44 0.02 0.00 2.34 0.00 0.00 41.12 46.60 2wkl n ASP 283 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2wkl n GLN 284 N -0.48 1.69 0.00 -0.67 1.13 -1.26 -0.07 117.38 117.72 2wkl n GLN 284 Ca -0.02 0.61 0.06 0.00 -1.94 0.00 0.00 57.00 55.71 2wkl n GLN 284 Cb 0.50 -2.36 0.27 0.00 0.11 0.00 0.00 30.24 28.76 2wkl n GLN 284 CO 0.00 0.00 0.00 -2.13 -1.44 0.00 0.00 177.06 173.49 2wkl n ARG 285 N -0.29 0.07 0.23 -1.09 0.00 -1.24 -2.21 116.66 112.13 2wkl n ARG 285 Ca 0.08 0.25 0.14 0.00 -0.00 0.00 0.00 57.85 58.32 2wkl n ARG 285 Cb 0.42 -1.50 0.41 0.00 0.00 0.00 0.00 32.46 31.79 2wkl n ARG 285 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 177.63 179.00 2wkl h LEU 286 N 0.00 0.00 0.00 6.15 8.10 -1.91 -2.07 115.31 125.58 2wkl h LEU 286 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.99 2wkl h LEU 286 Cb 0.16 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.38 2wkl h LEU 286 CO 0.00 0.00 0.00 0.18 -4.11 0.00 0.00 178.44 174.51 2wkl n LEU 287 N -2.96 0.00 -4.69 0.17 4.77 -0.94 -4.79 117.00 108.57 2wkl n LEU 287 Ca 0.03 0.00 -0.29 0.00 -0.03 0.00 0.00 56.01 55.71 2wkl n LEU 287 Cb 0.41 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.43 2wkl n LEU 287 CO 0.30 0.00 -0.33 -0.76 -1.33 0.00 0.00 177.39 175.27 2wkl s LEU 288 N -1.32 3.46 0.00 2.23 1.43 -0.78 -1.29 118.68 122.41 2wkl s LEU 288 Ca 0.12 -0.21 0.28 0.00 -1.03 0.00 0.00 54.13 53.29 2wkl s LEU 288 Cb 0.05 -2.18 0.97 0.00 0.03 0.00 0.00 46.19 45.07 2wkl s LEU 288 CO 0.09 0.16 1.70 -0.81 0.23 0.00 0.00 176.35 177.71 2wkl n PRO 289 N 0.42 1.43 -0.19 1.29 -0.04 -1.26 -4.58 135.00 132.07 2wkl n PRO 289 Ca -0.10 -0.83 -0.04 0.00 -0.04 0.00 0.00 63.50 62.48 2wkl n PRO 289 Cb 0.52 -1.48 0.02 0.00 -0.04 0.00 0.00 33.50 32.52 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 2.03 -0.77 -0.85 0.54 2.76 -1.91 0.40 115.15 117.35 2wkl h HIS 290 Ca 0.00 0.07 0.08 0.00 -2.20 0.00 0.00 60.37 58.32 2wkl h HIS 290 Cb 0.50 0.42 -0.07 0.00 1.55 0.00 0.00 27.41 29.82 2wkl h HIS 290 CO 0.00 -0.36 0.51 -1.49 -1.30 0.00 0.00 177.93 175.29 2wkl h TRP 291 N -0.14 0.93 -0.49 5.26 4.06 -1.56 -0.39 115.95 123.62 2wkl h TRP 291 Ca 0.24 0.03 -0.05 0.00 2.06 0.00 0.00 58.89 61.17 2wkl h TRP 291 Cb 0.53 -0.29 -0.02 0.00 -1.00 0.00 0.00 29.16 28.38 2wkl h TRP 291 CO -0.59 0.43 0.11 0.00 -3.56 0.00 0.00 178.44 174.82 2wkl h ALA 292 N 1.43 0.65 0.49 1.49 0.00 -1.23 -1.75 119.26 120.34 2wkl h ALA 292 Ca 0.39 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 2wkl h ALA 292 Cb 0.27 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 2wkl h ALA 292 CO -0.21 0.35 -0.28 0.87 0.00 0.00 0.00 179.25 179.98 2wkl h LYS 293 N 0.68 -0.70 -0.52 0.00 1.57 -0.53 0.27 116.57 117.33 2wkl h LYS 293 Ca 0.15 0.05 0.10 0.00 -1.87 0.00 0.00 60.65 59.08 2wkl h LYS 293 Cb 0.35 0.16 -0.08 0.00 0.08 0.00 0.00 32.23 32.74 2wkl h LYS 293 CO 0.00 -0.47 0.02 0.28 -0.57 0.00 0.00 179.45 178.72 2wkl h VAL 294 N -0.73 0.61 0.11 0.50 2.07 -0.93 -2.51 116.25 115.37 2wkl h VAL 294 Ca -0.06 -0.05 -0.30 0.00 0.82 0.00 0.00 66.70 67.12 2wkl h VAL 294 Cb 0.59 0.46 0.03 0.00 -1.52 0.00 0.00 31.29 30.85 2wkl h VAL 294 CO 0.07 0.03 -1.23 0.58 0.02 0.00 0.00 177.57 177.04 2wkl h VAL 295 N 0.14 1.28 0.00 2.57 2.07 -1.13 -3.38 116.25 117.80 2wkl h VAL 295 Ca 0.26 -2.44 -0.08 0.00 0.82 0.00 0.00 66.70 65.26 2wkl h VAL 295 Cb 0.39 2.68 -0.01 0.00 -1.52 0.00 0.00 31.29 32.83 2wkl h VAL 295 CO -0.42 0.74 -0.93 -0.07 0.02 0.00 0.00 177.57 176.92 2wkl h LEU 296 N 0.27 0.00 -1.57 2.57 3.38 -0.40 -3.20 115.31 116.36 2wkl h LEU 296 Ca -0.19 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.77 2wkl h LEU 296 Cb 1.90 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.64 2wkl h LEU 296 CO 0.24 0.29 0.01 0.35 0.09 0.00 0.00 178.44 179.42 2wkl n THR 297 N -2.90 0.61 -3.94 0.22 -2.24 -0.95 -4.37 114.28 100.71 2wkl n THR 297 Ca -0.02 -0.27 -0.31 0.00 -2.27 0.00 0.00 64.05 61.18 2wkl n THR 297 Cb 0.68 -0.50 -0.15 0.00 -2.10 0.00 0.00 70.33 68.25 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 -0.07 4.06 0.56 3.42 -1.08 -1.21 -5.00 116.67 117.35 2wkl s ASP 298 Ca 0.10 -1.39 0.24 0.00 -0.52 0.00 0.00 52.55 50.98 2wkl s ASP 298 Cb 0.08 -1.25 1.59 0.00 -1.46 0.00 0.00 42.92 41.88 2wkl s ASP 298 CO 0.03 -0.27 2.21 1.55 0.52 0.00 0.00 175.17 179.20 2wkl h PRO 299 N 7.90 0.00 -0.01 4.34 0.13 -1.87 -0.91 132.00 141.58 2wkl h PRO 299 Ca -0.15 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.87 2wkl h PRO 299 Cb 1.05 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.17 2wkl h PRO 299 CO 0.44 0.00 -0.49 0.93 -0.23 0.00 0.00 178.00 178.65 2wkl h GLU 300 N 0.00 0.02 0.06 0.86 3.07 -1.93 -2.37 114.58 114.28 2wkl h GLU 300 Ca -0.00 -0.01 -0.21 0.00 -0.50 0.00 0.00 59.36 58.63 2wkl h GLU 300 Cb 0.01 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 27.91 2wkl h GLU 300 CO 0.00 0.51 -1.12 0.00 -1.40 0.00 0.00 179.01 176.99 2wkl h ALA 301 N 1.49 0.18 -0.88 3.43 0.00 -1.63 -3.39 119.26 118.47 2wkl h ALA 301 Ca -0.00 -1.03 0.14 0.00 0.00 0.00 0.00 54.91 54.02 2wkl h ALA 301 Cb 0.87 0.49 -0.07 0.00 0.00 0.00 0.00 17.79 19.08 2wkl h ALA 301 CO 0.06 0.65 0.57 0.00 0.00 0.00 0.00 179.25 180.53 2wkl h ALA 302 N -0.18 1.86 0.00 0.00 0.00 -1.17 -1.70 119.26 118.07 2wkl h ALA 302 Ca -0.27 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.66 2wkl h ALA 302 Cb 1.48 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.15 2wkl h ALA 302 CO -0.04 -0.10 0.00 1.57 0.00 0.00 0.00 179.25 180.68 2wkl h LYS 303 N 0.66 0.00 0.00 0.00 2.10 -1.62 -1.41 116.57 116.30 2wkl h LYS 303 Ca 0.44 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.09 2wkl h LYS 303 Cb 0.74 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.07 2wkl h LYS 303 CO -0.20 0.00 -1.25 0.66 -2.00 0.00 0.00 179.45 176.66 2wkl n TYR 304 N -2.81 0.16 -3.34 0.07 4.02 -0.64 -4.94 117.16 109.67 2wkl n TYR 304 Ca -0.01 0.05 -0.40 0.00 -0.01 0.00 0.00 57.90 57.52 2wkl n TYR 304 Cb 0.13 -0.36 -0.09 0.00 -0.02 0.00 0.00 39.34 39.00 2wkl n TYR 304 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 2wkl s VAL 305 N -3.23 5.13 -0.50 -0.72 1.01 -0.53 -4.36 120.40 117.20 2wkl s VAL 305 Ca 0.02 0.52 0.23 0.00 0.00 0.00 0.00 61.98 62.75 2wkl s VAL 305 Cb 0.15 -3.77 -0.03 0.00 0.00 0.00 0.00 36.38 32.72 2wkl s VAL 305 CO 0.84 0.06 1.12 1.57 0.00 0.00 0.00 175.10 178.69 2wkl n HIS 306 N 5.44 0.56 -3.63 5.22 -0.00 0.24 -4.97 115.22 118.07 2wkl n HIS 306 Ca -0.07 0.16 0.04 0.00 0.46 0.00 0.00 57.72 58.31 2wkl n HIS 306 Cb 0.50 -0.66 0.00 0.00 -0.12 0.00 0.00 29.99 29.71 2wkl n HIS 306 CO 0.00 0.00 0.00 0.20 0.46 0.00 0.00 176.34 177.00 2wkl s GLY 307 N -3.88 -0.46 -0.16 1.57 0.00 -1.23 -3.66 107.32 99.50 2wkl s GLY 307 Ca 0.03 0.84 0.01 0.00 0.00 0.00 0.00 44.72 45.60 2wkl s GLY 307 CO 0.77 1.32 -0.18 -0.42 0.00 0.00 0.00 173.10 174.59 2wkl s ILE 308 N -2.00 1.87 -0.03 0.90 1.01 0.82 -1.64 121.20 122.12 2wkl s ILE 308 Ca 0.18 -0.82 -0.08 0.00 0.00 0.00 0.00 60.65 59.93 2wkl s ILE 308 Cb 0.07 -1.70 -0.05 0.00 0.01 0.00 0.00 42.46 40.79 2wkl s ILE 308 CO -0.06 0.51 0.24 0.00 0.00 0.00 0.00 174.94 175.63 2wkl s ALA 309 N 1.31 3.84 0.04 9.38 0.00 -0.21 -1.23 121.76 134.89 2wkl s ALA 309 Ca 0.03 -0.56 0.04 0.00 0.00 0.00 0.00 51.96 51.48 2wkl s ALA 309 Cb -0.13 -2.07 -0.02 0.00 0.00 0.00 0.00 23.12 20.90 2wkl s ALA 309 CO -0.11 0.62 -0.11 0.08 0.00 0.00 0.00 175.76 176.24 2wkl s VAL 310 N -1.19 0.87 0.24 0.00 1.01 0.52 0.33 120.40 122.18 2wkl s VAL 310 Ca 0.23 -0.96 0.10 0.00 0.00 0.00 0.00 61.98 61.35 2wkl s VAL 310 Cb -0.13 -0.83 -0.04 0.00 0.00 0.00 0.00 36.38 35.38 2wkl s VAL 310 CO 0.12 -0.11 -0.07 -1.00 0.00 0.00 0.00 175.10 174.04 2wkl s HIS 311 N -0.95 2.61 -0.11 5.22 3.76 0.90 -0.99 115.29 125.74 2wkl s HIS 311 Ca -0.02 -0.24 -0.01 0.00 -0.15 0.00 0.00 55.06 54.64 2wkl s HIS 311 Cb -0.08 -1.19 0.03 0.00 1.11 0.00 0.00 32.58 32.45 2wkl s HIS 311 CO 0.01 0.60 -0.05 -1.58 -0.85 0.00 0.00 174.74 172.87 2wkl s TRP 312 N -2.14 1.23 -0.61 1.40 0.52 -0.23 -3.58 118.94 115.52 2wkl s TRP 312 Ca 0.29 -0.58 -0.21 0.00 0.02 0.00 0.00 56.10 55.62 2wkl s TRP 312 Cb -0.07 -1.10 0.08 0.00 -1.15 0.00 0.00 33.47 31.24 2wkl s TRP 312 CO 0.17 -0.46 0.82 0.71 0.02 0.00 0.00 176.95 178.21 2wkl s TYR 313 N 1.79 2.85 0.50 -1.98 1.51 -1.26 -2.50 117.35 118.27 2wkl s TYR 313 Ca 0.05 -0.69 0.35 0.00 -1.01 0.00 0.00 57.07 55.76 2wkl s TYR 313 Cb -0.13 -4.09 1.87 0.00 -0.11 0.00 0.00 41.96 39.50 2wkl s TYR 313 CO -0.07 -1.43 2.21 -0.07 -1.11 0.00 0.00 175.55 175.08 2wkl h LEU 314 N 10.60 0.00 -0.02 -1.29 3.38 -0.90 -2.20 115.31 124.88 2wkl h LEU 314 Ca -0.29 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.68 2wkl h LEU 314 Cb 1.08 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.83 2wkl h LEU 314 CO 1.12 0.04 0.01 0.44 0.09 0.00 0.00 178.44 180.14 2wkl h ASP 315 N 0.00 0.02 -0.45 -0.43 3.32 -1.92 -3.45 116.42 113.52 2wkl h ASP 315 Ca -0.00 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 56.95 2wkl h ASP 315 Cb 0.16 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.71 2wkl h ASP 315 CO 0.00 0.11 0.00 0.49 -1.72 0.00 0.00 179.24 178.13 2wkl n PHE 316 N -5.03 -0.58 0.00 4.55 3.72 -0.83 -5.05 117.46 114.25 2wkl n PHE 316 Ca -0.07 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.33 2wkl n PHE 316 Cb 0.07 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.61 2wkl n PHE 316 CO 0.00 0.00 0.00 1.47 -0.05 0.00 0.00 176.76 178.18 2wkl n LEU 317 N 0.00 0.00 -4.41 4.37 -0.00 -1.26 -4.94 117.00 110.76 2wkl n LEU 317 Ca 0.00 0.00 -0.35 0.00 -0.00 0.00 0.00 56.01 55.66 2wkl n LEU 317 Cb 0.00 0.00 0.09 0.00 -0.00 0.00 0.00 43.42 43.51 2wkl n LEU 317 CO 0.00 0.00 -0.12 -0.81 -0.00 0.00 0.00 177.39 176.46 2wkl n PRO 319 N -0.58 -0.01 0.00 1.47 -0.04 -1.26 -5.16 135.00 129.42 2wkl n PRO 319 Ca 0.00 0.04 0.00 0.00 -0.04 0.00 0.00 63.50 63.50 2wkl n PRO 319 Cb 0.00 -1.77 0.00 0.00 -0.04 0.00 0.00 33.50 31.69 2wkl n PRO 319 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2wkl n ALA 320 N -2.96 1.68 -0.14 0.55 0.00 -1.26 -4.79 120.51 113.59 2wkl n ALA 320 Ca 0.08 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.42 2wkl n ALA 320 Cb 0.52 0.17 0.04 0.00 0.00 0.00 0.00 19.45 20.18 2wkl n ALA 320 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2wkl h LYS 321 N 0.00 0.94 0.00 0.00 3.64 -1.98 0.65 116.57 119.82 2wkl h LYS 321 Ca 0.00 -0.37 0.00 0.00 -1.27 0.00 0.00 60.65 59.01 2wkl h LYS 321 Cb 0.68 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.45 2wkl h LYS 321 CO 0.00 1.03 0.00 0.00 -2.27 0.00 0.00 179.45 178.21 2wkl n ALA 322 N -2.51 2.19 -0.92 5.00 0.00 -1.26 -0.25 120.51 122.75 2wkl n ALA 322 Ca 0.01 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.33 2wkl n ALA 322 Cb 0.43 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.53 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 -1.15 0.00 -0.18 0.00 -2.24 -0.79 -4.34 114.28 105.58 2wkl n THR 323 Ca 0.13 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.89 2wkl n THR 323 Cb 0.12 -0.49 0.08 0.00 -2.10 0.00 0.00 70.33 67.94 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 0.17 0.52 3.22 3.38 0.11 -1.08 115.31 121.63 2wkl h LEU 324 Ca 0.00 0.07 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 2wkl h LEU 324 Cb 0.00 0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 2wkl h LEU 324 CO 0.00 0.12 -0.33 1.23 0.09 0.00 0.00 178.44 179.55 2wkl h GLY 325 N 0.36 -0.99 0.05 0.83 0.00 -0.58 -1.03 103.07 101.71 2wkl h GLY 325 Ca 0.27 0.41 0.17 0.00 0.00 0.00 0.00 47.33 48.18 2wkl h GLY 325 CO -0.29 -0.34 0.38 0.83 0.00 0.00 0.00 176.54 177.13 2wkl h GLU 326 N -0.79 0.48 -0.62 4.80 5.08 -0.61 -1.03 114.58 121.89 2wkl h GLU 326 Ca -0.07 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.24 2wkl h GLU 326 Cb 0.64 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.75 2wkl h GLU 326 CO 0.07 0.32 0.28 1.15 -1.00 0.00 0.00 179.01 179.83 2wkl h THR 327 N 0.49 1.22 -0.39 1.13 2.02 -0.89 -1.33 112.91 115.16 2wkl h THR 327 Ca 0.48 -0.65 -0.15 0.00 0.77 0.00 0.00 66.41 66.87 2wkl h THR 327 Cb 0.78 0.50 -0.01 0.00 -1.74 0.00 0.00 68.15 67.68 2wkl h THR 327 CO -0.43 0.26 -0.33 -0.74 0.37 0.00 0.00 175.52 174.65 2wkl h HIS 328 N 0.86 1.05 -0.26 3.16 -0.00 -0.25 -0.64 115.15 119.07 2wkl h HIS 328 Ca 0.21 -0.29 0.05 0.00 -0.00 0.00 0.00 60.37 60.34 2wkl h HIS 328 Cb 0.15 -0.23 -0.05 0.00 -0.00 0.00 0.00 27.41 27.27 2wkl h HIS 328 CO 0.00 1.10 -0.07 -0.09 -0.00 0.00 0.00 177.93 178.87 2wkl h ARG 329 N 0.75 -0.00 0.00 5.26 2.43 -0.84 0.66 114.38 122.63 2wkl h ARG 329 Ca 0.07 0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 59.13 2wkl h ARG 329 Cb 0.90 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.44 2wkl h ARG 329 CO 0.08 -0.00 -0.53 -0.07 -1.51 0.00 0.00 179.97 177.94 2wkl h LEU 330 N -0.00 0.00 -5.88 3.80 3.38 -0.79 -3.33 115.31 112.48 2wkl h LEU 330 Ca 0.13 0.00 -0.45 0.00 0.09 0.00 0.00 57.88 57.64 2wkl h LEU 330 Cb 0.20 0.00 -0.37 0.00 0.09 0.00 0.00 40.66 40.57 2wkl h LEU 330 CO -0.27 0.53 -1.11 0.49 0.09 0.00 0.00 178.44 178.17 2wkl n PHE 331 N -3.87 -0.20 -0.32 1.13 3.01 -0.29 -4.97 117.46 111.95 2wkl n PHE 331 Ca -0.01 -3.61 0.31 0.00 1.01 0.00 0.00 57.45 55.15 2wkl n PHE 331 Cb 0.54 -0.18 0.67 0.00 -0.01 0.00 0.00 39.48 40.50 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 3.05 0.13 -0.63 -1.08 0.13 -0.99 -0.79 132.00 131.81 2wkl h PRO 332 Ca 0.08 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.20 2wkl h PRO 332 Cb 0.98 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.08 2wkl h PRO 332 CO 0.46 0.09 0.00 0.09 -0.23 0.00 0.00 178.00 178.40 2wkl n ASN 333 N -4.35 4.03 -4.10 1.44 3.02 -1.26 -4.70 115.26 109.34 2wkl n ASN 333 Ca 0.25 -2.41 -0.35 0.00 -0.03 0.00 0.00 54.58 52.05 2wkl n ASN 333 Cb 1.12 -0.53 -0.12 0.00 -0.61 0.00 0.00 39.78 39.63 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 3.12 0.37 3.41 2.01 -0.30 -4.97 115.64 117.41 2wkl s THR 334 Ca 0.41 -2.19 -0.27 0.00 0.31 0.00 0.00 61.69 59.96 2wkl s THR 334 Cb 0.27 -3.16 -0.11 0.00 0.01 0.00 0.00 72.50 69.51 2wkl s THR 334 CO 0.19 -0.69 1.24 1.15 -0.69 0.00 0.00 174.62 175.82 2wkl n MET 335 N 4.44 1.93 -3.24 4.92 0.00 -1.24 -4.55 117.12 119.38 2wkl n MET 335 Ca -0.00 0.68 -0.39 0.00 0.00 0.00 0.00 57.70 57.99 2wkl n MET 335 Cb 0.41 -2.28 -0.06 0.00 0.00 0.00 0.00 33.22 31.29 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 -1.08 4.46 -0.07 3.17 1.43 -1.26 -0.12 118.68 125.20 2wkl s LEU 336 Ca 0.58 1.19 -0.03 0.00 -1.03 0.00 0.00 54.13 54.84 2wkl s LEU 336 Cb -0.56 -2.90 0.04 0.00 0.03 0.00 0.00 46.19 42.80 2wkl s LEU 336 CO 0.60 0.17 0.15 0.12 0.23 0.00 0.00 176.35 177.62 2wkl s PHE 337 N -0.52 -0.16 -0.56 0.29 5.36 -0.37 0.65 117.98 122.67 2wkl s PHE 337 Ca 0.30 0.51 -0.25 0.00 -0.96 0.00 0.00 56.93 56.53 2wkl s PHE 337 Cb -0.19 -0.14 0.04 0.00 -0.34 0.00 0.00 43.02 42.39 2wkl s PHE 337 CO 0.18 -0.20 0.98 0.00 -1.46 0.00 0.00 175.22 174.71 2wkl s ALA 338 N 1.51 3.14 -2.17 11.12 0.00 -0.70 -0.35 121.76 134.31 2wkl s ALA 338 Ca -0.05 -1.19 0.24 0.00 0.00 0.00 0.00 51.96 50.96 2wkl s ALA 338 Cb -0.12 -3.78 0.25 0.00 0.00 0.00 0.00 23.12 19.48 2wkl s ALA 338 CO -0.06 -2.42 1.26 -1.13 0.00 0.00 0.00 175.76 173.41 2wkl n SER 339 N 7.60 1.95 -3.64 0.00 3.41 -0.16 -0.64 113.62 122.13 2wkl n SER 339 Ca 0.03 -1.47 -0.06 0.00 -0.26 0.00 0.00 58.87 57.11 2wkl n SER 339 Cb 0.48 0.30 -0.07 0.00 -0.26 0.00 0.00 64.21 64.66 2wkl n SER 339 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 2wkl s GLU 340 N -2.37 0.59 0.08 4.33 2.12 -1.18 -4.70 118.70 117.55 2wkl s GLU 340 Ca 0.23 0.93 0.02 0.00 0.36 0.00 0.00 54.97 56.50 2wkl s GLU 340 Cb 0.19 0.16 -0.04 0.00 0.26 0.00 0.00 34.13 34.70 2wkl s GLU 340 CO 0.50 -0.11 -0.07 0.00 -0.54 0.00 0.00 175.26 175.05 2wkl s ALA 341 N 1.23 0.81 0.00 6.30 0.00 -1.18 -1.07 121.76 127.84 2wkl s ALA 341 Ca -0.07 -1.15 0.00 0.00 0.00 0.00 0.00 51.96 50.74 2wkl s ALA 341 Cb -0.05 0.13 0.00 0.00 0.00 0.00 0.00 23.12 23.21 2wkl s ALA 341 CO -0.14 -0.18 0.00 0.00 0.00 0.00 0.00 175.76 175.44 2wkl s VAL 343 N -2.00 1.67 0.00 0.00 -7.23 -1.26 -0.11 120.40 111.47 2wkl s VAL 343 Ca 0.00 -2.17 0.00 0.00 -1.81 0.00 0.00 61.98 58.00 2wkl s VAL 343 Cb 0.00 -2.00 0.00 0.00 0.56 0.00 0.00 36.38 34.94 2wkl s VAL 343 CO 0.00 -0.60 0.00 0.61 -0.31 0.00 0.00 175.10 174.80 2wkl n GLY 344 N -0.32 0.39 0.00 2.32 0.00 -1.26 -1.49 105.19 104.84 2wkl n GLY 344 Ca -0.09 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.95 2wkl n GLY 344 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2wkl n SER 345 N 0.00 4.14 -4.72 1.61 7.64 -1.26 -4.10 113.62 116.93 2wkl n SER 345 Ca 0.00 -0.03 -0.63 0.00 1.01 0.00 0.00 58.87 59.22 2wkl n SER 345 Cb 0.00 1.11 -0.09 0.00 -1.01 0.00 0.00 64.21 64.23 2wkl n SER 345 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2wkl n LYS 346 N -1.56 0.54 -0.28 1.43 5.02 -1.26 -4.71 118.16 117.34 2wkl n LYS 346 Ca -0.00 0.20 0.06 0.00 -2.02 0.00 0.00 58.31 56.55 2wkl n LYS 346 Cb 0.07 -1.78 0.21 0.00 -0.02 0.00 0.00 35.03 33.51 2wkl n LYS 346 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 2wkl h PHE 347 N 5.90 0.64 0.00 2.13 -5.15 -1.99 -1.44 116.94 117.03 2wkl h PHE 347 Ca -0.45 0.04 0.00 0.00 -0.20 0.00 0.00 57.97 57.35 2wkl h PHE 347 Cb 1.35 -0.16 0.00 0.00 0.22 0.00 0.00 35.95 37.36 2wkl h PHE 347 CO 0.70 0.12 0.00 -2.67 -2.00 0.00 0.00 178.31 174.46 2wkl n TRP 348 N -4.94 0.34 -4.34 6.09 2.14 -1.26 -4.79 117.44 110.67 2wkl n TRP 348 Ca 0.16 0.12 -0.29 0.00 2.07 0.00 0.00 57.50 59.56 2wkl n TRP 348 Cb 0.43 -0.69 -0.12 0.00 -0.81 0.00 0.00 31.31 30.12 2wkl n TRP 348 CO 0.00 0.00 0.00 -1.83 2.07 0.00 0.00 177.69 177.93 2wkl s GLU 349 N -3.08 1.63 0.65 -2.67 -1.05 -0.54 -5.11 118.70 108.53 2wkl s GLU 349 Ca 0.09 -1.28 -0.17 0.00 -0.15 0.00 0.00 54.97 53.46 2wkl s GLU 349 Cb 0.13 -2.01 -0.04 0.00 -0.44 0.00 0.00 34.13 31.76 2wkl s GLU 349 CO 0.43 0.46 0.74 1.04 0.95 0.00 0.00 175.26 178.88 2wkl n GLN 350 N 0.75 0.57 -0.29 -4.83 6.02 -1.26 -4.69 117.38 113.64 2wkl n GLN 350 Ca -0.16 0.23 -0.05 0.00 -0.01 0.00 0.00 57.00 57.01 2wkl n GLN 350 Cb 0.53 -1.97 0.07 0.00 1.02 0.00 0.00 30.24 29.89 2wkl n GLN 350 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.06 176.82 2wkl h SER 351 N 0.05 0.99 -3.38 1.08 0.02 -1.87 -3.39 113.55 107.05 2wkl h SER 351 Ca -0.47 -0.10 -0.67 0.00 -0.84 0.00 0.00 61.79 59.71 2wkl h SER 351 Cb 1.36 -0.25 -0.33 0.00 0.14 0.00 0.00 62.40 63.33 2wkl h SER 351 CO 0.47 0.80 -0.78 -0.69 -1.14 0.00 0.00 176.83 175.49 2wkl s VAL 352 N -5.84 2.63 -0.43 2.27 1.01 -1.26 -2.46 120.40 116.31 2wkl s VAL 352 Ca -0.13 -0.97 -0.08 0.00 0.00 0.00 0.00 61.98 60.80 2wkl s VAL 352 Cb 0.15 -2.27 0.10 0.00 0.00 0.00 0.00 36.38 34.36 2wkl s VAL 352 CO 0.81 0.32 0.28 -0.13 0.00 0.00 0.00 175.10 176.37 2wkl s ARG 353 N 1.32 2.47 -0.14 2.72 0.52 -1.26 -5.04 118.95 119.54 2wkl s ARG 353 Ca 0.02 -1.61 -0.29 0.00 -0.52 0.00 0.00 55.73 53.32 2wkl s ARG 353 Cb -0.15 -3.79 -0.03 0.00 0.52 0.00 0.00 34.95 31.49 2wkl s ARG 353 CO -0.07 -1.05 1.51 -0.51 0.02 0.00 0.00 175.30 175.21 2wkl s LEU 354 N 1.36 4.15 0.00 2.53 1.43 -1.26 -2.38 118.68 124.51 2wkl s LEU 354 Ca 0.04 1.87 0.00 0.00 -1.03 0.00 0.00 54.13 55.01 2wkl s LEU 354 Cb -0.24 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.44 2wkl s LEU 354 CO 0.00 -0.97 0.00 0.61 0.23 0.00 0.00 176.35 176.22 2wkl n GLY 355 N 4.13 0.88 3.59 -3.19 0.00 -1.26 -4.29 105.19 105.05 2wkl n GLY 355 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.19 5.89 0.34 1.61 0.15 -1.00 -1.22 113.70 117.27 2wkl s SER 356 Ca 0.00 0.91 0.12 0.00 0.70 0.00 0.00 55.95 57.68 2wkl s SER 356 Cb 0.00 -2.53 0.59 0.00 -1.71 0.00 0.00 66.02 62.37 2wkl s SER 356 CO 0.00 -1.78 1.74 -0.25 1.20 0.00 0.00 173.24 174.15 2wkl h TRP 357 N 12.64 0.00 -0.38 3.44 2.91 -1.90 -2.84 115.95 129.81 2wkl h TRP 357 Ca -0.30 0.00 -0.06 0.00 1.13 0.00 0.00 58.89 59.66 2wkl h TRP 357 Cb 1.15 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 29.78 2wkl h TRP 357 CO 0.98 0.46 -0.01 0.22 -1.03 0.00 0.00 178.44 179.07 2wkl h ASP 358 N 0.00 0.67 -0.35 2.65 1.82 -1.98 0.35 116.42 119.58 2wkl h ASP 358 Ca -0.00 -0.31 -0.05 0.00 -0.39 0.00 0.00 57.03 56.27 2wkl h ASP 358 Cb 0.83 -0.18 -0.02 0.00 0.68 0.00 0.00 39.33 40.64 2wkl h ASP 358 CO 0.06 0.82 0.05 0.03 -1.61 0.00 0.00 179.24 178.59 2wkl h ARG 359 N 0.50 0.68 0.41 0.28 3.08 -1.94 -0.60 114.38 116.79 2wkl h ARG 359 Ca 0.11 -0.15 -0.01 0.00 0.07 0.00 0.00 59.98 60.00 2wkl h ARG 359 Cb 0.48 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.41 2wkl h ARG 359 CO 0.02 0.66 -0.50 0.78 -1.07 0.00 0.00 179.97 179.87 2wkl h GLY 360 N 0.91 -1.24 0.61 0.04 0.00 -1.26 -2.13 103.07 100.01 2wkl h GLY 360 Ca 0.14 0.60 0.19 0.00 0.00 0.00 0.00 47.33 48.26 2wkl h GLY 360 CO 0.01 -0.35 0.50 -0.33 0.00 0.00 0.00 176.54 176.37 2wkl h MET 361 N -0.92 0.10 -0.15 4.80 2.86 -0.27 0.80 114.93 122.14 2wkl h MET 361 Ca -0.05 -0.01 -0.15 0.00 -2.06 0.00 0.00 59.70 57.43 2wkl h MET 361 Cb 0.82 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.45 2wkl h MET 361 CO -0.11 0.07 -0.55 1.96 1.06 0.00 0.00 176.91 179.34 2wkl h GLN 362 N 0.10 0.44 0.19 1.72 4.20 -0.51 -1.30 115.11 119.94 2wkl h GLN 362 Ca 0.35 -0.27 -0.01 0.00 0.06 0.00 0.00 58.65 58.77 2wkl h GLN 362 Cb 1.22 0.03 0.00 0.00 0.30 0.00 0.00 27.48 29.03 2wkl h GLN 362 CO -0.04 0.87 -0.09 1.88 -0.67 0.00 0.00 178.83 180.78 2wkl h TYR 363 N 0.34 -0.23 0.00 2.96 -1.99 -0.22 -2.38 116.97 115.45 2wkl h TYR 363 Ca 0.01 -0.01 -0.17 0.00 2.00 0.00 0.00 58.73 60.56 2wkl h TYR 363 Cb 1.07 0.08 -0.02 0.00 2.00 0.00 0.00 36.73 39.85 2wkl h TYR 363 CO 0.04 -0.03 -0.79 0.66 -0.00 0.00 0.00 178.16 178.04 2wkl h SER 364 N -0.40 0.00 -0.89 3.88 4.64 -1.49 0.72 113.55 120.01 2wkl h SER 364 Ca -0.03 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.28 2wkl h SER 364 Cb 0.31 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.35 2wkl h SER 364 CO 0.04 0.79 0.50 -0.74 -0.87 0.00 0.00 176.83 176.55 2wkl h HIS 365 N 0.00 1.21 -0.10 4.77 -0.00 -1.25 0.25 115.15 120.03 2wkl h HIS 365 Ca -0.01 -0.02 -0.06 0.00 -0.00 0.00 0.00 60.37 60.28 2wkl h HIS 365 Cb 1.42 -0.39 0.00 0.00 -0.00 0.00 0.00 27.41 28.44 2wkl h HIS 365 CO 0.00 0.83 -0.17 1.03 -0.00 0.00 0.00 177.93 179.62 2wkl h SER 366 N 1.24 0.32 -0.91 3.26 0.87 -1.05 -0.57 113.55 116.70 2wkl h SER 366 Ca 0.31 -0.55 0.16 0.00 -1.23 0.00 0.00 61.79 60.49 2wkl h SER 366 Cb 0.01 -0.09 -0.08 0.00 -0.44 0.00 0.00 62.40 61.80 2wkl h SER 366 CO -0.05 0.81 0.59 0.40 -0.53 0.00 0.00 176.83 178.04 2wkl h ILE 367 N -0.16 0.78 -0.04 2.23 2.04 -0.52 -0.35 117.51 121.49 2wkl h ILE 367 Ca 0.01 -0.22 -0.07 0.00 1.00 0.00 0.00 64.86 65.57 2wkl h ILE 367 Cb 0.75 0.08 0.00 0.00 -0.74 0.00 0.00 36.82 36.91 2wkl h ILE 367 CO 0.04 0.12 -0.25 0.40 0.00 0.00 0.00 178.15 178.45 2wkl h ILE 368 N 0.65 1.47 -0.98 -0.67 2.04 -0.76 -1.39 117.51 117.87 2wkl h ILE 368 Ca 0.47 -1.75 0.12 0.00 1.00 0.00 0.00 64.86 64.71 2wkl h ILE 368 Cb 0.84 2.47 -0.08 0.00 -0.74 0.00 0.00 36.82 39.31 2wkl h ILE 368 CO -0.23 0.49 0.62 0.74 0.00 0.00 0.00 178.15 179.77 2wkl h THR 369 N -0.32 0.92 0.33 -0.27 2.02 -0.70 0.20 112.91 115.09 2wkl h THR 369 Ca -0.02 -0.33 -0.02 0.00 0.77 0.00 0.00 66.41 66.81 2wkl h THR 369 Cb 0.93 -0.12 0.00 0.00 -1.74 0.00 0.00 68.15 67.22 2wkl h THR 369 CO 0.05 0.17 -0.16 0.78 0.37 0.00 0.00 175.52 176.74 2wkl h ASN 370 N 0.96 -0.38 -0.72 4.18 -0.26 -0.98 -1.74 115.58 116.64 2wkl h ASN 370 Ca 0.48 -0.10 0.14 0.00 -0.56 0.00 0.00 56.30 56.27 2wkl h ASN 370 Cb 0.50 0.10 -0.10 0.00 -1.06 0.00 0.00 38.32 37.76 2wkl h ASN 370 CO -0.25 -0.12 0.23 -0.07 -1.06 0.00 0.00 177.43 176.16 2wkl h LEU 371 N -0.63 0.13 -2.46 1.61 3.38 -0.86 0.19 115.31 116.67 2wkl h LEU 371 Ca -0.05 0.12 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 2wkl h LEU 371 Cb 0.45 0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.34 2wkl h LEU 371 CO 0.07 0.03 -0.01 -0.07 0.09 0.00 0.00 178.44 178.56 2wkl h LEU 372 N 0.34 0.00 -3.82 1.67 3.38 -0.28 -2.40 115.31 114.21 2wkl h LEU 372 Ca 0.40 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.79 2wkl h LEU 372 Cb 0.64 0.00 -0.37 0.00 0.09 0.00 0.00 40.66 41.02 2wkl h LEU 372 CO -0.44 0.01 -0.19 -1.22 0.09 0.00 0.00 178.44 176.68 2wkl n TYR 373 N -3.16 2.85 -0.30 1.13 4.02 0.62 -4.94 117.16 117.38 2wkl n TYR 373 Ca -0.02 -2.48 0.00 0.00 -0.01 0.00 0.00 57.90 55.39 2wkl n TYR 373 Cb 0.15 -0.74 0.00 0.00 -0.02 0.00 0.00 39.34 38.73 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 -0.80 0.00 -1.81 -0.72 8.25 -0.90 -4.74 115.22 114.50 2wkl n HIS 374 Ca 0.50 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.55 2wkl n HIS 374 Cb 0.87 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.97 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 -3.24 2.07 -2.19 1.59 1.01 -0.86 -4.49 120.40 114.29 2wkl s VAL 375 Ca 0.00 0.07 0.19 0.00 0.00 0.00 0.00 61.98 62.23 2wkl s VAL 375 Cb 0.00 -3.04 0.22 0.00 0.00 0.00 0.00 36.38 33.55 2wkl s VAL 375 CO 0.00 0.01 1.15 1.33 0.00 0.00 0.00 175.10 177.60 2wkl n VAL 376 N 0.72 0.19 -3.59 2.92 0.24 0.21 -4.48 118.33 114.54 2wkl n VAL 376 Ca 0.02 -0.59 -0.05 0.00 -2.04 0.00 0.00 64.34 61.68 2wkl n VAL 376 Cb 0.39 1.22 -0.02 0.00 -1.47 0.00 0.00 33.84 33.96 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 -1.45 -0.30 -0.04 7.63 0.00 -1.26 0.22 107.32 112.12 2wkl s GLY 377 Ca 0.25 1.59 -0.02 0.00 0.00 0.00 0.00 44.72 46.54 2wkl s GLY 377 CO 0.24 0.54 0.08 0.86 0.00 0.00 0.00 173.10 174.82 2wkl s TRP 378 N -2.42 -0.05 -0.16 1.90 -0.00 0.12 -1.71 118.94 116.62 2wkl s TRP 378 Ca 0.09 0.31 0.00 0.00 -0.00 0.00 0.00 56.10 56.50 2wkl s TRP 378 Cb -0.01 -0.24 0.03 0.00 -0.00 0.00 0.00 33.47 33.25 2wkl s TRP 378 CO -0.05 -0.15 -0.13 0.99 -0.00 0.00 0.00 176.95 177.61 2wkl s THR 379 N 1.45 1.54 0.91 5.86 2.01 0.19 -1.89 115.64 125.71 2wkl s THR 379 Ca -0.05 -0.68 -0.11 0.00 0.31 0.00 0.00 61.69 61.15 2wkl s THR 379 Cb -0.12 -1.49 0.14 0.00 0.01 0.00 0.00 72.50 71.03 2wkl s THR 379 CO -0.04 0.39 1.09 -0.62 -0.69 0.00 0.00 174.62 174.75 2wkl s ASP 380 N 1.49 3.33 0.00 3.53 2.15 0.22 -3.12 116.67 124.27 2wkl s ASP 380 Ca 0.04 1.58 0.00 0.00 0.43 0.00 0.00 52.55 54.59 2wkl s ASP 380 Cb -0.13 -2.24 0.00 0.00 -0.30 0.00 0.00 42.92 40.24 2wkl s ASP 380 CO -0.10 -2.74 0.00 1.87 -0.17 0.00 0.00 175.17 174.03 2wkl n TRP 381 N -3.96 0.00 -1.64 -5.34 -0.00 -1.19 -2.65 117.44 102.67 2wkl n TRP 381 Ca 0.07 0.00 -0.53 0.00 -0.00 0.00 0.00 57.50 57.05 2wkl n TRP 381 Cb 0.55 0.00 -0.06 0.00 -0.00 0.00 0.00 31.31 31.80 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 2.12 -0.35 5.87 3.02 -1.26 -0.72 115.26 123.95 2wkl n ASN 382 Ca 0.00 1.09 0.00 0.00 -0.03 0.00 0.00 54.58 55.65 2wkl n ASN 382 Cb 0.00 -1.22 0.16 0.00 -0.61 0.00 0.00 39.78 38.11 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 5.73 1.06 -7.63 3.41 3.38 -1.65 -3.41 115.31 116.21 2wkl h LEU 383 Ca -0.47 -0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.39 2wkl h LEU 383 Cb 1.32 -0.25 -0.17 0.00 0.09 0.00 0.00 40.66 41.65 2wkl h LEU 383 CO 0.85 0.74 -0.30 0.00 0.09 0.00 0.00 178.44 179.81 2wkl s ALA 384 N -6.04 -0.56 0.13 1.53 0.00 -1.26 -3.84 121.76 111.72 2wkl s ALA 384 Ca -0.12 -0.11 -0.09 0.00 0.00 0.00 0.00 51.96 51.64 2wkl s ALA 384 Cb 0.19 0.31 -0.01 0.00 0.00 0.00 0.00 23.12 23.61 2wkl s ALA 384 CO 0.81 -0.40 0.23 -0.51 0.00 0.00 0.00 175.76 175.90 2wkl s LEU 385 N -2.09 1.20 0.88 0.00 1.43 -0.84 -3.78 118.68 115.49 2wkl s LEU 385 Ca -0.05 -0.78 -0.13 0.00 -1.03 0.00 0.00 54.13 52.14 2wkl s LEU 385 Cb -0.01 1.09 0.15 0.00 0.03 0.00 0.00 46.19 47.45 2wkl s LEU 385 CO -0.04 -0.81 1.24 0.54 0.23 0.00 0.00 176.35 177.51 2wkl s ASN 386 N -2.92 3.73 0.59 2.29 2.20 -0.15 0.14 114.94 120.83 2wkl s ASN 386 Ca 0.12 0.39 0.35 0.00 -0.94 0.00 0.00 52.86 52.78 2wkl s ASN 386 Cb 0.04 -0.64 1.84 0.00 -2.00 0.00 0.00 41.25 40.50 2wkl s ASN 386 CO -0.05 -2.35 2.20 -0.65 -2.94 0.00 0.00 177.10 173.31 2wkl h PRO 387 N -1.32 0.00 0.00 3.55 0.11 -1.90 0.87 132.00 133.31 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 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 2wkl h PRO 387 CO 0.48 0.04 0.00 1.49 -0.21 0.00 0.00 178.00 179.80 2wkl h GLU 388 N 0.00 0.00 0.00 1.05 4.81 -1.94 -3.41 114.58 115.09 2wkl h GLU 388 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2wkl h GLU 388 Cb 0.19 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.57 2wkl h GLU 388 CO 0.01 0.00 0.00 0.41 -0.73 0.00 0.00 179.01 178.70 2wkl n GLY 389 N 0.97 1.33 0.00 1.92 0.00 0.30 -4.61 105.19 105.09 2wkl n GLY 389 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 -1.57 5.46 3.79 -0.02 0.00 -1.25 -2.70 105.19 108.89 2wkl n GLY 390 Ca 0.00 -1.16 -0.30 0.00 0.00 0.00 0.00 46.02 44.55 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 2.52 2.27 -0.23 1.61 0.04 -1.26 -0.98 135.00 138.97 2wkl s PRO 391 Ca 0.00 0.88 -0.08 0.00 0.04 0.00 0.00 61.00 61.84 2wkl s PRO 391 Cb 0.00 -1.92 0.10 0.00 0.04 0.00 0.00 34.50 32.72 2wkl s PRO 391 CO 0.00 -1.55 0.49 1.21 0.04 0.00 0.00 177.00 177.19 2wkl s ASN 392 N -3.69 -0.55 0.00 6.66 3.84 -1.26 -4.50 114.94 115.44 2wkl s ASN 392 Ca 0.60 1.18 0.17 0.00 0.21 0.00 0.00 52.86 55.02 2wkl s ASN 392 Cb -0.15 1.64 0.72 0.00 -0.55 0.00 0.00 41.25 42.91 2wkl s ASN 392 CO 0.55 -0.23 1.54 -2.67 -2.79 0.00 0.00 177.10 173.50 2wkl n TRP 393 N 5.37 0.00 -0.11 0.43 4.27 -1.06 -0.30 117.44 126.04 2wkl n TRP 393 Ca -0.10 0.00 0.05 0.00 -3.89 0.00 0.00 57.50 53.56 2wkl n TRP 393 Cb 0.50 -0.49 0.12 0.00 -1.36 0.00 0.00 31.31 30.07 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 -1.49 0.94 -2.26 -1.67 0.31 -1.26 -4.97 118.33 107.93 2wkl n VAL 394 Ca 0.04 -0.97 -0.19 0.00 -0.01 0.00 0.00 64.34 63.22 2wkl n VAL 394 Cb 0.19 0.54 -0.02 0.00 -0.91 0.00 0.00 33.84 33.65 2wkl n VAL 394 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2wkl n ARG 395 N 0.35 -1.46 -1.07 5.55 1.74 0.59 -4.88 116.66 117.49 2wkl n ARG 395 Ca 0.09 0.93 -0.18 0.00 -0.77 0.00 0.00 57.85 57.92 2wkl n ARG 395 Cb 0.39 -5.43 -0.02 0.00 -1.02 0.00 0.00 32.46 26.37 2wkl n ARG 395 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 2wkl n ASN 396 N -1.48 6.24 -4.49 0.55 5.15 -1.26 -4.99 115.26 114.98 2wkl n ASN 396 Ca -0.22 -2.99 -0.37 0.00 -0.60 0.00 0.00 54.58 50.40 2wkl n ASN 396 Cb 0.66 -1.16 0.05 0.00 -0.53 0.00 0.00 39.78 38.80 2wkl n ASN 396 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 2wkl n PHE 397 N 0.85 -0.46 -3.66 1.20 0.99 -1.26 -5.04 117.46 110.08 2wkl n PHE 397 Ca 0.35 0.41 -0.07 0.00 -0.00 0.00 0.00 57.45 58.14 2wkl n PHE 397 Cb 0.60 -1.97 0.00 0.00 -1.00 0.00 0.00 39.48 37.11 2wkl n PHE 397 CO 0.00 0.00 0.00 1.33 -0.00 0.00 0.00 176.76 178.09 2wkl n VAL 398 N -1.89 0.00 -3.08 -4.37 0.24 -1.10 -4.79 118.33 103.34 2wkl n VAL 398 Ca 0.12 -0.85 -0.26 0.00 -2.04 0.00 0.00 64.34 61.31 2wkl n VAL 398 Cb 0.48 0.68 -0.01 0.00 -1.47 0.00 0.00 33.84 33.52 2wkl n VAL 398 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2wkl s ASP 399 N -2.39 6.31 0.04 -1.34 -1.08 -0.55 -4.40 116.67 113.25 2wkl s ASP 399 Ca 0.14 0.68 -0.00 0.00 -0.52 0.00 0.00 52.55 52.85 2wkl s ASP 399 Cb -0.02 -2.14 -0.03 0.00 -1.46 0.00 0.00 42.92 39.27 2wkl s ASP 399 CO 0.10 -0.39 -0.03 -0.55 0.52 0.00 0.00 175.17 174.81 2wkl s SER 400 N -3.93 0.45 0.51 -0.34 0.15 -1.26 -4.75 113.70 104.52 2wkl s SER 400 Ca 0.44 -0.77 0.33 0.00 0.70 0.00 0.00 55.95 56.65 2wkl s SER 400 Cb -0.10 0.14 1.46 0.00 -1.71 0.00 0.00 66.02 65.81 2wkl s SER 400 CO 0.39 -0.45 1.99 -0.65 1.20 0.00 0.00 173.24 175.71 2wkl h PRO 401 N 3.82 0.00 -4.16 5.44 0.11 -1.79 -3.40 132.00 132.02 2wkl h PRO 401 Ca -0.33 0.00 -0.50 0.00 0.11 0.00 0.00 66.00 65.28 2wkl h PRO 401 Cb 1.17 0.00 -0.36 0.00 0.11 0.00 0.00 31.00 31.92 2wkl h PRO 401 CO 0.54 0.00 -0.80 0.42 -0.21 0.00 0.00 178.00 177.96 2wkl s ILE 402 N -3.68 0.88 -0.18 4.15 1.01 -1.25 -1.19 121.20 120.94 2wkl s ILE 402 Ca 0.01 -0.22 -0.05 0.00 0.00 0.00 0.00 60.65 60.38 2wkl s ILE 402 Cb 0.09 -0.91 -0.03 0.00 0.01 0.00 0.00 42.46 41.63 2wkl s ILE 402 CO 0.49 0.33 0.00 -0.63 0.00 0.00 0.00 174.94 175.13 2wkl s ILE 403 N 1.54 4.15 -0.19 2.92 -1.09 -0.26 -1.98 121.20 126.29 2wkl s ILE 403 Ca 0.01 -0.26 -0.12 0.00 -2.23 0.00 0.00 60.65 58.05 2wkl s ILE 403 Cb -0.13 -2.86 -0.05 0.00 -1.58 0.00 0.00 42.46 37.84 2wkl s ILE 403 CO -0.05 0.46 0.23 -0.69 -1.23 0.00 0.00 174.94 173.65 2wkl s VAL 404 N 0.62 5.34 -0.63 2.92 1.01 0.12 0.38 120.40 130.17 2wkl s VAL 404 Ca -0.00 0.39 -0.03 0.00 0.00 0.00 0.00 61.98 62.34 2wkl s VAL 404 Cb -0.14 -3.57 0.16 0.00 0.00 0.00 0.00 36.38 32.84 2wkl s VAL 404 CO 0.02 0.39 0.45 -0.62 0.00 0.00 0.00 175.10 175.34 2wkl s ASP 405 N 0.53 5.31 0.32 3.32 -1.08 0.45 -3.93 116.67 121.59 2wkl s ASP 405 Ca 0.13 -2.82 0.02 0.00 -0.52 0.00 0.00 52.55 49.37 2wkl s ASP 405 Cb -0.12 -1.87 0.60 0.00 -1.46 0.00 0.00 42.92 40.07 2wkl s ASP 405 CO 0.02 -0.39 1.94 0.40 0.52 0.00 0.00 175.17 177.66 2wkl h ILE 406 N 5.29 1.06 0.00 4.11 2.04 -1.94 -1.12 117.51 126.96 2wkl h ILE 406 Ca -0.02 -0.32 0.00 0.00 1.00 0.00 0.00 64.86 65.53 2wkl h ILE 406 Cb 0.96 0.05 0.00 0.00 -0.74 0.00 0.00 36.82 37.09 2wkl h ILE 406 CO 0.72 0.17 0.00 0.71 0.00 0.00 0.00 178.15 179.75 2wkl h THR 407 N 0.93 0.00 -0.07 -0.27 1.35 -1.93 -1.97 112.91 110.95 2wkl h THR 407 Ca 0.35 -0.37 0.00 0.00 -0.55 0.00 0.00 66.41 65.84 2wkl h THR 407 Cb 0.19 1.29 0.00 0.00 -1.73 0.00 0.00 68.15 67.90 2wkl h THR 407 CO -0.12 0.00 0.00 0.29 -0.25 0.00 0.00 175.52 175.44 2wkl n LYS 408 N -2.84 2.35 -4.35 4.72 5.02 -0.47 -4.98 118.16 117.62 2wkl n LYS 408 Ca 0.01 -2.10 -0.34 0.00 -2.02 0.00 0.00 58.31 53.85 2wkl n LYS 408 Cb 0.25 -1.30 -0.08 0.00 -0.02 0.00 0.00 35.03 33.88 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 -0.73 -0.29 -4.31 4.39 2.03 -0.74 -4.92 116.55 111.98 2wkl n ASP 409 Ca 0.09 -1.23 -0.22 0.00 0.52 0.00 0.00 54.79 53.96 2wkl n ASP 409 Cb 0.48 -1.81 -0.12 0.00 -0.72 0.00 0.00 41.12 38.95 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 -3.93 1.76 0.10 5.18 2.01 -1.06 -4.10 115.64 115.60 2wkl s THR 410 Ca 0.30 -1.80 0.04 0.00 0.31 0.00 0.00 61.69 60.53 2wkl s THR 410 Cb -0.17 -1.75 -0.04 0.00 0.01 0.00 0.00 72.50 70.55 2wkl s THR 410 CO 0.99 -0.25 -0.10 0.72 -0.69 0.00 0.00 174.62 175.29 2wkl s PHE 411 N -1.81 1.08 -0.09 4.92 -0.12 -0.37 -0.41 117.98 121.17 2wkl s PHE 411 Ca 0.13 -0.68 0.04 0.00 -0.05 0.00 0.00 56.93 56.37 2wkl s PHE 411 Cb -0.07 -0.59 -0.00 0.00 -0.63 0.00 0.00 43.02 41.73 2wkl s PHE 411 CO 0.06 0.00 -0.23 0.71 -0.05 0.00 0.00 175.22 175.71 2wkl s TYR 412 N -2.60 2.57 -0.40 3.49 1.51 0.16 -1.28 117.35 120.80 2wkl s TYR 412 Ca 0.07 -0.92 -0.18 0.00 -1.01 0.00 0.00 57.07 55.03 2wkl s TYR 412 Cb -0.02 -1.70 0.01 0.00 -0.11 0.00 0.00 41.96 40.14 2wkl s TYR 412 CO -0.00 -0.34 0.49 0.15 -1.11 0.00 0.00 175.55 174.74 2wkl s LYS 413 N 0.21 3.34 0.72 -0.62 1.02 -0.78 -1.11 119.74 122.52 2wkl s LYS 413 Ca -0.14 -0.47 -0.11 0.00 0.02 0.00 0.00 55.97 55.27 2wkl s LYS 413 Cb -0.17 -3.90 0.02 0.00 -0.52 0.00 0.00 37.83 33.27 2wkl s LYS 413 CO 0.07 -0.79 1.07 -0.65 -0.92 0.00 0.00 175.35 174.13 2wkl s GLN 414 N 2.34 2.70 0.27 1.68 -1.52 -0.33 -2.17 119.66 122.64 2wkl s GLN 414 Ca 0.16 0.84 -0.04 0.00 -1.95 0.00 0.00 55.36 54.37 2wkl s GLN 414 Cb -0.16 -1.97 0.54 0.00 -0.22 0.00 0.00 33.01 31.20 2wkl s GLN 414 CO 0.14 -1.24 1.60 -1.35 -0.25 0.00 0.00 175.29 174.20 2wkl h PRO 415 N -0.81 0.05 -0.96 2.91 0.11 -1.81 0.31 132.00 131.80 2wkl h PRO 415 Ca -0.45 -0.00 0.26 0.00 0.11 0.00 0.00 66.00 65.92 2wkl h PRO 415 Cb 1.23 -0.01 -0.18 0.00 0.11 0.00 0.00 31.00 32.15 2wkl h PRO 415 CO 0.58 0.03 0.04 0.52 -0.21 0.00 0.00 178.00 178.96 2wkl h MET 416 N 0.05 0.03 0.23 1.05 2.86 -1.86 0.10 114.93 117.39 2wkl h MET 416 Ca 0.48 -0.00 0.01 0.00 -2.06 0.00 0.00 59.70 58.13 2wkl h MET 416 Cb 0.89 -0.01 -0.04 0.00 0.06 0.00 0.00 31.60 32.50 2wkl h MET 416 CO -0.81 0.02 -0.44 0.35 1.06 0.00 0.00 176.91 177.09 2wkl h PHE 417 N 0.03 -1.24 -0.49 -0.22 3.57 -1.11 -0.35 116.94 117.12 2wkl h PHE 417 Ca 0.58 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 62.09 2wkl h PHE 417 Cb 1.18 0.51 -0.02 0.00 2.79 0.00 0.00 35.95 40.42 2wkl h PHE 417 CO -0.48 -0.56 0.25 1.88 -2.23 0.00 0.00 178.31 177.17 2wkl h TYR 418 N -0.75 0.66 -0.65 0.41 -1.99 -1.02 0.94 116.97 114.58 2wkl h TYR 418 Ca -0.00 -0.01 -0.05 0.00 2.00 0.00 0.00 58.73 60.67 2wkl h TYR 418 Cb 0.73 -0.21 -0.03 0.00 2.00 0.00 0.00 36.73 39.22 2wkl h TYR 418 CO -0.34 0.48 0.22 0.45 -0.00 0.00 0.00 178.16 178.98 2wkl h HIS 419 N 0.68 1.02 -0.12 4.88 3.86 -0.51 -1.43 115.15 123.54 2wkl h HIS 419 Ca 0.17 -0.09 -0.00 0.00 -1.16 0.00 0.00 60.37 59.29 2wkl h HIS 419 Cb 0.05 -0.30 -0.01 0.00 1.06 0.00 0.00 27.41 28.22 2wkl h HIS 419 CO 0.00 0.82 0.07 -0.07 0.86 0.00 0.00 177.93 179.62 2wkl h LEU 420 N 0.93 0.15 -0.97 2.43 3.38 -0.19 -3.02 115.31 118.02 2wkl h LEU 420 Ca 0.21 -0.05 0.22 0.00 0.09 0.00 0.00 57.88 58.35 2wkl h LEU 420 Cb 0.26 -0.04 -0.12 0.00 0.09 0.00 0.00 40.66 40.86 2wkl h LEU 420 CO -0.01 0.15 0.54 1.23 0.09 0.00 0.00 178.44 180.44 2wkl h GLY 421 N 0.13 1.76 1.88 0.83 0.00 -0.43 0.20 103.07 107.43 2wkl h GLY 421 Ca 0.04 -0.28 0.00 0.00 0.00 0.00 0.00 47.33 47.09 2wkl h GLY 421 CO -0.01 -0.19 0.04 1.42 0.00 0.00 0.00 176.54 177.80 2wkl n HIS 422 N -4.90 0.59 -0.08 5.60 8.25 -0.57 -1.50 115.22 122.61 2wkl n HIS 422 Ca 0.24 0.31 -0.16 0.00 -0.26 0.00 0.00 57.72 57.85 2wkl n HIS 422 Cb 0.66 -0.96 -0.05 0.00 1.12 0.00 0.00 29.99 30.76 2wkl n HIS 422 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 2wkl n PHE 423 N -2.11 0.00 -0.16 4.41 3.01 0.55 -4.66 117.46 118.49 2wkl n PHE 423 Ca -0.01 0.00 -0.09 0.00 1.01 0.00 0.00 57.45 58.36 2wkl n PHE 423 Cb 0.07 -0.56 0.01 0.00 -0.01 0.00 0.00 39.48 38.99 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 -0.64 0.67 0.42 4.37 4.64 -0.88 -2.25 113.55 119.89 2wkl h SER 424 Ca -0.34 -0.19 -0.01 0.00 -0.47 0.00 0.00 61.79 60.78 2wkl h SER 424 Cb 1.21 -0.17 -0.00 0.00 -0.31 0.00 0.00 62.40 63.12 2wkl h SER 424 CO -0.21 0.67 -0.04 0.50 -0.87 0.00 0.00 176.83 176.88 2wkl h LYS 425 N 0.62 0.00 0.00 4.77 3.64 -1.06 -3.20 116.57 121.34 2wkl h LYS 425 Ca 0.16 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.54 2wkl h LYS 425 Cb 0.23 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.05 2wkl h LYS 425 CO -0.01 0.04 -0.07 1.19 -2.27 0.00 0.00 179.45 178.34 2wkl n PHE 426 N -3.31 0.00 -3.46 1.91 3.01 -0.89 -4.86 117.46 109.86 2wkl n PHE 426 Ca -0.02 -0.53 -0.27 0.00 1.01 0.00 0.00 57.45 57.64 2wkl n PHE 426 Cb 0.20 -0.08 -0.10 0.00 -0.01 0.00 0.00 39.48 39.49 2wkl n PHE 426 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 2wkl s ILE 427 N -1.36 0.63 0.81 4.37 1.01 -0.94 -4.92 121.20 120.81 2wkl s ILE 427 Ca 0.11 -2.75 -0.11 0.00 0.00 0.00 0.00 60.65 57.91 2wkl s ILE 427 Cb 0.10 -1.45 0.08 0.00 0.01 0.00 0.00 42.46 41.20 2wkl s ILE 427 CO 0.01 -1.18 1.09 -2.16 0.00 0.00 0.00 174.94 172.70 2wkl s PRO 428 N -0.01 1.93 0.19 2.79 0.04 -1.26 -4.83 135.00 133.85 2wkl s PRO 428 Ca 0.30 1.12 -0.32 0.00 0.04 0.00 0.00 61.00 62.14 2wkl s PRO 428 Cb -0.00 -1.86 -0.15 0.00 0.04 0.00 0.00 34.50 32.52 2wkl s PRO 428 CO -0.17 -1.86 1.17 -1.91 0.04 0.00 0.00 177.00 174.27 2wkl n GLU 429 N -3.66 1.25 0.00 4.56 2.13 -1.26 -0.56 120.64 123.09 2wkl n GLU 429 Ca 0.09 0.44 0.00 0.00 0.66 0.00 0.00 57.16 58.35 2wkl n GLU 429 Cb 0.53 -1.94 0.00 0.00 0.27 0.00 0.00 31.44 30.30 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 1.96 3.08 3.57 8.31 0.00 -0.24 -4.84 105.19 117.03 2wkl n GLY 430 Ca 0.14 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.79 2wkl n GLY 430 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2wkl n SER 431 N 0.00 0.17 -4.06 1.61 7.64 0.28 -4.43 113.62 114.83 2wkl n SER 431 Ca 0.00 0.74 -0.28 0.00 1.01 0.00 0.00 58.87 60.34 2wkl n SER 431 Cb 0.00 -1.33 -0.17 0.00 -1.01 0.00 0.00 64.21 61.70 2wkl n SER 431 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 2wkl s GLN 432 N -2.74 2.18 0.31 1.43 0.74 -0.30 -0.18 119.66 121.11 2wkl s GLN 432 Ca 0.74 -0.55 -0.29 0.00 0.05 0.00 0.00 55.36 55.31 2wkl s GLN 432 Cb -0.40 -1.83 -0.10 0.00 1.10 0.00 0.00 33.01 31.78 2wkl s GLN 432 CO 0.49 -0.04 1.26 0.50 -0.55 0.00 0.00 175.29 176.96 2wkl s ARG 433 N 0.90 4.42 0.31 1.67 3.00 -0.45 -0.11 118.95 128.70 2wkl s ARG 433 Ca -0.09 2.12 0.06 0.00 -1.00 0.00 0.00 55.73 56.83 2wkl s ARG 433 Cb -0.15 -3.10 -0.02 0.00 0.00 0.00 0.00 34.95 31.67 2wkl s ARG 433 CO -0.00 -0.11 0.23 1.33 0.00 0.00 0.00 175.30 176.75 2wkl n VAL 434 N 0.98 0.00 -2.69 7.11 0.24 -0.45 -0.37 118.33 123.15 2wkl n VAL 434 Ca 0.00 -2.18 -0.35 0.00 -2.04 0.00 0.00 64.34 59.78 2wkl n VAL 434 Cb 0.42 1.02 -0.05 0.00 -1.47 0.00 0.00 33.84 33.76 2wkl n VAL 434 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2wkl s GLY 435 N -3.13 2.59 -0.27 7.63 0.00 -1.00 -4.41 107.32 108.74 2wkl s GLY 435 Ca 0.32 0.54 -0.01 0.00 0.00 0.00 0.00 44.72 45.57 2wkl s GLY 435 CO 0.23 0.90 0.30 -2.27 0.00 0.00 0.00 173.10 172.26 2wkl s LEU 436 N -2.85 -0.29 -0.03 0.66 2.96 -1.26 -0.07 118.68 117.79 2wkl s LEU 436 Ca 0.59 -0.52 -0.01 0.00 -0.22 0.00 0.00 54.13 53.97 2wkl s LEU 436 Cb -0.16 0.59 -0.04 0.00 0.50 0.00 0.00 46.19 47.09 2wkl s LEU 436 CO 0.20 -0.36 0.07 0.68 -1.32 0.00 0.00 176.35 175.62 2wkl s VAL 437 N 2.39 4.72 -0.07 1.68 -7.23 -0.80 -4.90 120.40 116.20 2wkl s VAL 437 Ca 0.09 -0.32 -0.06 0.00 -1.81 0.00 0.00 61.98 59.88 2wkl s VAL 437 Cb -0.14 -3.12 -0.04 0.00 0.56 0.00 0.00 36.38 33.64 2wkl s VAL 437 CO -0.27 0.43 0.18 0.00 -0.31 0.00 0.00 175.10 175.13 2wkl s ALA 438 N -1.12 3.89 -2.00 1.32 0.00 -1.26 -0.16 121.76 122.43 2wkl s ALA 438 Ca 0.20 -0.64 0.24 0.00 0.00 0.00 0.00 51.96 51.76 2wkl s ALA 438 Cb -0.12 -1.99 1.43 0.00 0.00 0.00 0.00 23.12 22.44 2wkl s ALA 438 CO 0.11 0.65 1.88 -1.13 0.00 0.00 0.00 175.76 177.27 2wkl n SER 439 N 1.59 0.00 0.00 0.00 3.41 0.12 -4.87 113.62 113.87 2wkl n SER 439 Ca -0.16 -1.14 0.00 0.00 -0.26 0.00 0.00 58.87 57.31 2wkl n SER 439 Cb 0.54 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.49 2wkl n SER 439 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2wkl n GLN 440 N -0.90 0.00 -1.55 4.33 10.64 -1.26 -4.92 117.38 123.72 2wkl n GLN 440 Ca 0.18 0.00 -0.53 0.00 -1.83 0.00 0.00 57.00 54.82 2wkl n GLN 440 Cb 0.08 0.00 -0.06 0.00 -0.86 0.00 0.00 30.24 29.40 2wkl n GLN 440 CO 0.00 0.00 0.00 0.36 -1.83 0.00 0.00 177.06 175.59 2wkl n LYS 441 N -0.24 0.77 -4.12 2.61 2.85 -1.26 -4.95 118.16 113.82 2wkl n LYS 441 Ca 0.00 0.28 -0.14 0.00 -1.05 0.00 0.00 58.31 57.40 2wkl n LYS 441 Cb 0.00 -1.82 -0.06 0.00 -0.65 0.00 0.00 35.03 32.50 2wkl n LYS 441 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 2wkl s ASN 442 N 0.18 0.73 0.00 -5.58 2.20 -1.26 -5.06 114.94 106.15 2wkl s ASN 442 Ca 0.83 -1.41 0.21 0.00 -0.94 0.00 0.00 52.86 51.55 2wkl s ASN 442 Cb -1.02 0.59 0.21 0.00 -2.00 0.00 0.00 41.25 39.03 2wkl s ASN 442 CO 0.51 -1.17 1.20 0.47 -2.94 0.00 0.00 177.10 175.17 2wkl n ASP 443 N -1.08 2.86 -4.76 3.54 8.00 -1.26 -4.99 116.55 118.87 2wkl n ASP 443 Ca 0.02 -1.90 -0.33 0.00 0.71 0.00 0.00 54.79 53.29 2wkl n ASP 443 Cb 0.62 -0.04 0.06 0.00 -0.02 0.00 0.00 41.12 41.74 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 -1.70 3.37 -0.12 0.64 1.43 -1.26 -4.53 118.68 116.51 2wkl s LEU 444 Ca 0.27 2.07 -0.01 0.00 -1.03 0.00 0.00 54.13 55.42 2wkl s LEU 444 Cb 0.18 -4.56 -0.03 0.00 0.03 0.00 0.00 46.19 41.82 2wkl s LEU 444 CO 0.27 -1.77 -0.07 -1.81 0.23 0.00 0.00 176.35 173.20 2wkl s ASP 445 N -2.48 4.56 -0.11 2.29 1.01 0.11 -4.98 116.67 117.07 2wkl s ASP 445 Ca 0.68 -0.14 -0.19 0.00 0.71 0.00 0.00 52.55 53.61 2wkl s ASP 445 Cb -0.22 -1.54 0.05 0.00 1.01 0.00 0.00 42.92 42.22 2wkl s ASP 445 CO 0.42 0.23 0.48 0.00 0.21 0.00 0.00 175.17 176.52 2wkl s ALA 446 N -0.02 -1.22 0.01 5.23 0.00 -1.26 0.98 121.76 125.48 2wkl s ALA 446 Ca -0.00 1.10 0.00 0.00 0.00 0.00 0.00 51.96 53.06 2wkl s ALA 446 Cb -0.14 -0.42 -0.01 0.00 0.00 0.00 0.00 23.12 22.56 2wkl s ALA 446 CO 0.03 -0.27 -0.02 0.54 0.00 0.00 0.00 175.76 176.05 2wkl s VAL 447 N -0.45 0.07 -0.02 0.00 0.11 -0.71 -4.98 120.40 114.42 2wkl s VAL 447 Ca -0.06 -0.38 0.07 0.00 -2.93 0.00 0.00 61.98 58.68 2wkl s VAL 447 Cb -0.03 -0.13 -0.02 0.00 -1.53 0.00 0.00 36.38 34.67 2wkl s VAL 447 CO 0.03 -0.20 -0.23 0.00 -3.33 0.00 0.00 175.10 171.37 2wkl s ALA 448 N -0.60 1.94 0.07 1.54 0.00 -1.26 -1.00 121.76 122.45 2wkl s ALA 448 Ca -0.06 -1.00 -0.01 0.00 0.00 0.00 0.00 51.96 50.88 2wkl s ALA 448 Cb -0.04 -0.51 -0.04 0.00 0.00 0.00 0.00 23.12 22.53 2wkl s ALA 448 CO -0.00 0.47 -0.01 -0.51 0.00 0.00 0.00 175.76 175.70 2wkl s LEU 449 N -0.50 2.33 -0.19 0.00 1.02 0.65 -1.34 118.68 120.65 2wkl s LEU 449 Ca 0.08 -1.02 -0.04 0.00 0.02 0.00 0.00 54.13 53.16 2wkl s LEU 449 Cb -0.09 0.24 -0.02 0.00 0.02 0.00 0.00 46.19 46.34 2wkl s LEU 449 CO -0.00 -0.63 -0.03 -0.04 0.02 0.00 0.00 176.35 175.66 2wkl s MET 450 N -3.94 3.52 0.61 1.70 -1.94 0.84 -1.21 119.30 118.88 2wkl s MET 450 Ca 0.10 -0.57 -0.19 0.00 -1.71 0.00 0.00 55.69 53.32 2wkl s MET 450 Cb 0.08 -2.98 -0.03 0.00 2.01 0.00 0.00 34.83 33.91 2wkl s MET 450 CO -0.08 -0.00 1.27 -1.58 -0.01 0.00 0.00 175.02 174.61 2wkl s HIS 451 N 1.00 2.23 0.34 -0.03 2.46 -0.11 -1.15 115.29 120.03 2wkl s HIS 451 Ca 0.01 1.48 0.12 0.00 0.47 0.00 0.00 55.06 57.14 2wkl s HIS 451 Cb -0.15 -3.62 0.94 0.00 -0.13 0.00 0.00 32.58 29.62 2wkl s HIS 451 CO 0.01 -2.64 1.74 -1.35 -2.47 0.00 0.00 174.74 170.03 2wkl h PRO 452 N 0.80 0.52 0.00 2.88 0.11 -1.89 0.14 132.00 134.57 2wkl h PRO 452 Ca -0.51 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.57 2wkl h PRO 452 Cb 1.32 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2wkl h PRO 452 CO 0.54 0.34 0.00 0.38 -0.21 0.00 0.00 178.00 179.06 2wkl h ASP 453 N 0.53 0.00 0.00 -2.05 3.04 -1.96 -3.46 116.42 112.53 2wkl h ASP 453 Ca 0.64 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.43 2wkl h ASP 453 Cb 1.30 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.59 2wkl h ASP 453 CO -0.43 0.00 0.00 0.61 -2.04 0.00 0.00 179.24 177.38 2wkl n GLY 454 N -0.36 1.68 3.96 7.15 0.00 0.50 -5.09 105.19 113.04 2wkl n GLY 454 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.00 4.25 -0.06 1.61 1.04 -1.25 -4.67 113.70 112.62 2wkl s SER 455 Ca 0.00 0.00 0.03 0.00 0.48 0.00 0.00 55.95 56.46 2wkl s SER 455 Cb 0.00 -0.41 -0.03 0.00 0.10 0.00 0.00 66.02 65.68 2wkl s SER 455 CO 0.00 -1.94 -0.13 0.00 0.98 0.00 0.00 173.24 172.15 2wkl s ALA 456 N -3.31 2.72 -0.04 5.32 0.00 -0.05 -0.93 121.76 125.47 2wkl s ALA 456 Ca 0.66 -0.95 0.06 0.00 0.00 0.00 0.00 51.96 51.72 2wkl s ALA 456 Cb -0.07 -1.04 -0.01 0.00 0.00 0.00 0.00 23.12 22.00 2wkl s ALA 456 CO 0.46 0.53 -0.22 0.08 0.00 0.00 0.00 175.76 176.61 2wkl s VAL 457 N -0.64 1.79 -0.03 0.00 1.01 -0.35 -2.42 120.40 119.76 2wkl s VAL 457 Ca 0.09 -0.94 -0.01 0.00 0.00 0.00 0.00 61.98 61.13 2wkl s VAL 457 Cb -0.11 -1.51 0.03 0.00 0.00 0.00 0.00 36.38 34.79 2wkl s VAL 457 CO 0.01 0.50 0.05 -0.69 0.00 0.00 0.00 175.10 174.98 2wkl s VAL 458 N -0.27 -0.08 -0.12 2.92 1.01 -0.55 -0.26 120.40 123.05 2wkl s VAL 458 Ca 0.02 0.28 -0.04 0.00 0.00 0.00 0.00 61.98 62.23 2wkl s VAL 458 Cb -0.11 -0.12 -0.04 0.00 0.00 0.00 0.00 36.38 36.11 2wkl s VAL 458 CO 0.01 0.12 0.03 -0.69 0.00 0.00 0.00 175.10 174.57 2wkl s VAL 459 N 1.43 4.54 -0.12 2.92 1.01 -0.17 -0.54 120.40 129.47 2wkl s VAL 459 Ca -0.05 -0.15 0.00 0.00 0.00 0.00 0.00 61.98 61.79 2wkl s VAL 459 Cb -0.13 -2.96 0.02 0.00 0.00 0.00 0.00 36.38 33.31 2wkl s VAL 459 CO -0.03 0.56 -0.12 -0.69 0.00 0.00 0.00 175.10 174.82 2wkl s VAL 460 N -0.43 1.31 -0.05 2.92 1.01 -0.47 -1.75 120.40 122.95 2wkl s VAL 460 Ca 0.09 -0.49 0.03 0.00 0.00 0.00 0.00 61.98 61.61 2wkl s VAL 460 Cb -0.12 -1.26 -0.03 0.00 0.00 0.00 0.00 36.38 34.97 2wkl s VAL 460 CO 0.02 0.41 -0.13 -0.22 0.00 0.00 0.00 175.10 175.18 2wkl s LEU 461 N 1.45 2.81 -0.32 3.92 2.96 0.28 -0.91 118.68 128.86 2wkl s LEU 461 Ca 0.02 -0.17 0.02 0.00 -0.22 0.00 0.00 54.13 53.78 2wkl s LEU 461 Cb -0.13 -1.58 0.10 0.00 0.50 0.00 0.00 46.19 45.08 2wkl s LEU 461 CO -0.07 0.35 0.06 0.21 -1.32 0.00 0.00 176.35 175.57 2wkl s ASN 462 N -0.77 4.42 0.00 3.68 3.84 -0.09 -0.71 114.94 125.32 2wkl s ASN 462 Ca 0.12 -1.88 0.21 0.00 0.21 0.00 0.00 52.86 51.52 2wkl s ASN 462 Cb -0.11 -1.31 0.54 0.00 -0.55 0.00 0.00 41.25 39.82 2wkl s ASN 462 CO 0.01 -0.38 1.45 0.54 -2.79 0.00 0.00 177.10 175.93 2wkl n ARG 463 N 4.50 2.18 -2.60 0.43 1.74 -1.26 -1.63 116.66 120.02 2wkl n ARG 463 Ca 0.00 -1.80 -0.22 0.00 -0.77 0.00 0.00 57.85 55.07 2wkl n ARG 463 Cb 0.42 -1.45 0.05 0.00 -1.02 0.00 0.00 32.46 30.46 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 -1.39 5.10 0.00 0.55 1.04 -1.26 -4.84 113.70 112.90 2wkl s SER 464 Ca 0.36 -0.04 0.27 0.00 0.48 0.00 0.00 55.95 57.02 2wkl s SER 464 Cb 0.20 -0.75 0.90 0.00 0.10 0.00 0.00 66.02 66.47 2wkl s SER 464 CO 0.28 -1.29 1.68 -1.54 0.98 0.00 0.00 173.24 173.35 2wkl n SER 465 N -2.46 0.35 -4.78 7.02 3.41 -1.26 -1.63 113.62 114.28 2wkl n SER 465 Ca 0.09 -0.08 -0.38 0.00 -0.26 0.00 0.00 58.87 58.23 2wkl n SER 465 Cb 0.60 -0.07 -0.06 0.00 -0.26 0.00 0.00 64.21 64.42 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 -2.88 4.24 0.28 4.33 3.01 -1.26 -4.31 119.74 123.16 2wkl s LYS 466 Ca 0.16 0.65 -0.30 0.00 -1.01 0.00 0.00 55.97 55.46 2wkl s LYS 466 Cb 0.19 -3.32 -0.13 0.00 -1.01 0.00 0.00 37.83 33.56 2wkl s LYS 466 CO 0.59 0.43 1.46 -0.25 0.51 0.00 0.00 175.35 178.09 2wkl n ASP 467 N 2.56 3.18 -4.04 2.83 9.92 -1.26 -3.31 116.55 126.43 2wkl n ASP 467 Ca -0.08 1.16 -0.32 0.00 -0.53 0.00 0.00 54.79 55.02 2wkl n ASP 467 Cb 0.51 -1.50 -0.15 0.00 -0.64 0.00 0.00 41.12 39.34 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 -0.24 2.06 0.35 2.53 1.01 0.14 -4.87 120.40 121.37 2wkl s VAL 468 Ca 0.64 -1.61 -0.27 0.00 0.00 0.00 0.00 61.98 60.74 2wkl s VAL 468 Cb -0.58 -2.22 -0.09 0.00 0.00 0.00 0.00 36.38 33.49 2wkl s VAL 468 CO 0.52 -0.08 1.14 -2.16 0.00 0.00 0.00 175.10 174.51 2wkl s PRO 469 N 1.14 4.31 0.17 2.72 0.05 -1.26 0.15 135.00 142.27 2wkl s PRO 469 Ca -0.07 1.80 -0.24 0.00 0.05 0.00 0.00 61.00 62.54 2wkl s PRO 469 Cb -0.20 -2.87 0.06 0.00 0.05 0.00 0.00 34.50 31.54 2wkl s PRO 469 CO -0.06 -0.09 0.79 -0.48 0.05 0.00 0.00 177.00 177.22 2wkl s LEU 470 N -2.09 -0.32 0.01 -3.56 2.34 -0.04 -4.27 118.68 110.75 2wkl s LEU 470 Ca 0.52 -0.31 0.05 0.00 0.06 0.00 0.00 54.13 54.45 2wkl s LEU 470 Cb -0.30 2.41 -0.02 0.00 -0.56 0.00 0.00 46.19 47.72 2wkl s LEU 470 CO 0.39 -1.00 -0.15 -0.89 -1.06 0.00 0.00 176.35 173.63 2wkl s THR 471 N -3.55 1.20 -0.19 5.48 2.01 -0.82 0.32 115.64 120.09 2wkl s THR 471 Ca 0.08 -0.78 -0.02 0.00 0.31 0.00 0.00 61.69 61.29 2wkl s THR 471 Cb -0.03 -1.02 -0.00 0.00 0.01 0.00 0.00 72.50 71.46 2wkl s THR 471 CO -0.02 0.23 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.41 2wkl s ILE 472 N -0.52 2.93 -0.13 1.82 1.01 -0.15 -0.94 121.20 125.22 2wkl s ILE 472 Ca 0.05 -0.66 -0.17 0.00 0.00 0.00 0.00 60.65 59.87 2wkl s ILE 472 Cb -0.07 -2.29 -0.04 0.00 0.01 0.00 0.00 42.46 40.07 2wkl s ILE 472 CO 0.00 0.48 0.43 -0.75 0.00 0.00 0.00 174.94 175.10 2wkl s LYS 473 N 1.18 4.31 -0.20 2.79 2.20 -0.10 -1.13 119.74 128.79 2wkl s LYS 473 Ca 0.02 0.35 0.01 0.00 -0.36 0.00 0.00 55.97 55.99 2wkl s LYS 473 Cb -0.14 -3.44 0.04 0.00 -1.51 0.00 0.00 37.83 32.78 2wkl s LYS 473 CO -0.04 0.16 -0.09 0.34 -0.36 0.00 0.00 175.35 175.36 2wkl s ASP 474 N 0.62 3.32 0.61 1.43 -1.08 -0.52 0.62 116.67 121.67 2wkl s ASP 474 Ca 0.23 -0.87 0.32 0.00 -0.52 0.00 0.00 52.55 51.71 2wkl s ASP 474 Cb -0.15 -1.16 1.88 0.00 -1.46 0.00 0.00 42.92 42.04 2wkl s ASP 474 CO 0.09 -0.16 2.22 -0.65 0.52 0.00 0.00 175.17 177.18 2wkl h PRO 475 N 8.00 0.00 0.00 4.34 0.11 -1.84 -0.55 132.00 142.06 2wkl h PRO 475 Ca -0.26 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.78 2wkl h PRO 475 Cb 1.10 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 2wkl h PRO 475 CO 0.45 0.00 -0.33 0.00 -0.21 0.00 0.00 178.00 177.92 2wkl h ALA 476 N 1.90 1.31 0.00 -0.75 0.00 -1.96 -3.39 119.26 116.37 2wkl h ALA 476 Ca 0.02 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.64 2wkl h ALA 476 Cb 0.17 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2wkl h ALA 476 CO -0.00 0.41 -0.53 1.33 0.00 0.00 0.00 179.25 180.46 2wkl n VAL 477 N -3.92 0.00 0.00 0.00 0.24 -0.40 -5.00 118.33 109.25 2wkl n VAL 477 Ca -0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.28 2wkl n VAL 477 Cb 0.39 -0.45 0.00 0.00 -1.47 0.00 0.00 33.84 32.32 2wkl n VAL 477 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2wkl n GLY 478 N 2.06 0.51 2.89 7.63 0.00 -0.35 -4.76 105.19 113.16 2wkl n GLY 478 Ca 0.00 -1.19 -0.20 0.00 0.00 0.00 0.00 46.02 44.63 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 -2.47 0.74 -0.43 1.61 0.40 0.14 -1.45 117.98 116.52 2wkl s PHE 479 Ca 0.00 -0.20 -0.20 0.00 -0.60 0.00 0.00 56.93 55.93 2wkl s PHE 479 Cb 0.00 -0.66 0.02 0.00 0.51 0.00 0.00 43.02 42.89 2wkl s PHE 479 CO 0.00 -0.19 0.58 -0.51 0.70 0.00 0.00 175.22 175.80 2wkl s LEU 480 N 0.93 4.59 -0.14 -0.37 1.02 -0.29 -0.22 118.68 124.21 2wkl s LEU 480 Ca -0.11 -0.42 -0.24 0.00 0.02 0.00 0.00 54.13 53.38 2wkl s LEU 480 Cb -0.14 -2.63 -0.02 0.00 0.02 0.00 0.00 46.19 43.41 2wkl s LEU 480 CO 0.00 -0.72 0.77 -1.61 0.02 0.00 0.00 176.35 174.82 2wkl s GLU 481 N 2.62 4.33 0.34 1.70 0.41 -1.26 -0.97 118.70 125.86 2wkl s GLU 481 Ca 0.20 0.93 -0.05 0.00 -0.41 0.00 0.00 54.97 55.64 2wkl s GLU 481 Cb -0.15 -3.54 0.01 0.00 -1.78 0.00 0.00 34.13 28.67 2wkl s GLU 481 CO 0.17 -0.21 0.51 -0.08 -0.49 0.00 0.00 175.26 175.17 2wkl s THR 482 N 1.74 0.00 0.02 3.63 -1.32 0.15 -4.99 115.64 114.87 2wkl s THR 482 Ca 0.37 -1.51 0.02 0.00 -1.21 0.00 0.00 61.69 59.36 2wkl s THR 482 Cb -0.17 -2.63 -0.02 0.00 -1.51 0.00 0.00 72.50 68.18 2wkl s THR 482 CO 0.14 0.00 -0.06 -0.51 -2.21 0.00 0.00 174.62 171.98 2wkl s ILE 483 N -3.06 0.44 -0.48 5.08 -1.16 -1.26 -0.86 121.20 119.90 2wkl s ILE 483 Ca 0.28 -0.69 -0.13 0.00 -0.51 0.00 0.00 60.65 59.60 2wkl s ILE 483 Cb -0.01 -0.46 0.10 0.00 0.61 0.00 0.00 42.46 42.70 2wkl s ILE 483 CO 0.18 -0.18 0.38 -0.55 -2.81 0.00 0.00 174.94 171.96 2wkl s SER 484 N -0.95 5.95 0.38 4.50 0.15 0.12 -4.94 113.70 118.91 2wkl s SER 484 Ca -0.05 -1.62 -0.28 0.00 0.70 0.00 0.00 55.95 54.70 2wkl s SER 484 Cb -0.07 -2.11 -0.11 0.00 -1.71 0.00 0.00 66.02 62.03 2wkl s SER 484 CO 0.00 -0.69 1.50 -2.65 1.20 0.00 0.00 173.24 172.60 2wkl n PRO 485 N 5.09 2.69 -1.54 5.44 -0.02 -1.26 0.26 135.00 145.65 2wkl n PRO 485 Ca -0.11 0.94 -0.43 0.00 -2.02 0.00 0.00 63.50 61.88 2wkl n PRO 485 Cb 0.42 -2.68 -0.00 0.00 -0.02 0.00 0.00 33.50 31.22 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 0.49 -0.70 3.18 -1.23 0.00 -1.21 -3.23 105.19 102.50 2wkl n GLY 486 Ca 0.01 0.19 -0.11 0.00 0.00 0.00 0.00 46.02 46.11 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 -0.31 -2.55 -3.62 1.61 0.53 -0.64 -4.82 117.16 107.36 2wkl n TYR 487 Ca 0.11 0.91 -0.10 0.00 -1.02 0.00 0.00 57.90 57.79 2wkl n TYR 487 Cb 0.36 -4.10 -0.03 0.00 -1.03 0.00 0.00 39.34 34.54 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 -3.30 -0.39 -0.05 7.72 1.04 -1.13 -2.21 113.70 115.39 2wkl s SER 488 Ca 0.35 -0.29 -0.03 0.00 0.48 0.00 0.00 55.95 56.46 2wkl s SER 488 Cb -0.05 0.62 0.02 0.00 0.10 0.00 0.00 66.02 66.71 2wkl s SER 488 CO 0.73 -1.07 0.12 -0.51 0.98 0.00 0.00 173.24 173.49 2wkl s ILE 489 N -3.83 -0.02 -0.00 -1.02 2.07 -0.71 -0.91 121.20 116.78 2wkl s ILE 489 Ca 0.06 0.08 0.05 0.00 -1.41 0.00 0.00 60.65 59.43 2wkl s ILE 489 Cb -0.02 -0.19 -0.02 0.00 0.13 0.00 0.00 42.46 42.36 2wkl s ILE 489 CO -0.06 0.03 -0.17 -1.00 -1.91 0.00 0.00 174.94 171.84 2wkl s HIS 490 N 0.53 1.50 -0.14 3.50 3.76 -0.09 -1.50 115.29 122.85 2wkl s HIS 490 Ca -0.04 -0.30 -0.01 0.00 -0.15 0.00 0.00 55.06 54.56 2wkl s HIS 490 Cb -0.05 -0.95 -0.02 0.00 1.11 0.00 0.00 32.58 32.67 2wkl s HIS 490 CO -0.02 -0.01 -0.10 0.99 -0.85 0.00 0.00 174.74 174.76 2wkl s THR 491 N -0.48 3.36 -0.15 1.30 2.01 -0.15 -1.37 115.64 120.15 2wkl s THR 491 Ca 0.06 -0.55 -0.03 0.00 0.31 0.00 0.00 61.69 61.48 2wkl s THR 491 Cb -0.07 -2.44 -0.03 0.00 0.01 0.00 0.00 72.50 69.98 2wkl s THR 491 CO -0.00 0.51 -0.04 -0.31 -0.69 0.00 0.00 174.62 174.09 2wkl s TYR 492 N 0.36 3.01 -0.04 4.92 1.51 0.29 -0.95 117.35 126.45 2wkl s TYR 492 Ca -0.08 -0.31 0.05 0.00 -1.01 0.00 0.00 57.07 55.72 2wkl s TYR 492 Cb -0.15 -1.94 -0.01 0.00 -0.11 0.00 0.00 41.96 39.75 2wkl s TYR 492 CO 0.05 -0.03 -0.20 -0.51 -1.11 0.00 0.00 175.55 173.74 2wkl s LEU 493 N 0.31 2.00 -0.13 -1.29 1.43 -0.10 -1.48 118.68 119.42 2wkl s LEU 493 Ca -0.04 -0.40 -0.19 0.00 -1.03 0.00 0.00 54.13 52.47 2wkl s LEU 493 Cb -0.14 -1.11 0.05 0.00 0.03 0.00 0.00 46.19 45.01 2wkl s LEU 493 CO 0.03 0.21 0.49 -1.66 0.23 0.00 0.00 176.35 175.65 2wkl s TRP 494 N -0.18 -0.49 0.64 0.29 -2.14 -1.01 0.62 118.94 116.67 2wkl s TRP 494 Ca -0.00 1.08 -0.14 0.00 2.66 0.00 0.00 56.10 59.70 2wkl s TRP 494 Cb -0.11 0.20 -0.01 0.00 -3.10 0.00 0.00 33.47 30.45 2wkl s TRP 494 CO 0.02 -0.34 1.07 0.50 -2.66 0.00 0.00 176.95 175.54 2wkl s ARG 495 N -0.28 3.04 0.00 3.25 3.52 -1.26 -0.87 118.95 126.34 2wkl s ARG 495 Ca -0.04 1.21 0.00 0.00 -0.13 0.00 0.00 55.73 56.77 2wkl s ARG 495 Cb -0.03 -1.99 0.00 0.00 -1.56 0.00 0.00 34.95 31.36 2wkl s ARG 495 CO 0.03 -1.04 0.00 0.54 -0.81 0.00 0.00 175.30 174.02 2wkl n ARG 496 N -2.42 5.83 0.00 5.12 1.74 -1.26 -4.73 116.66 120.95 2wkl n ARG 496 Ca 0.09 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.17 2wkl n ARG 496 Cb 0.53 -0.48 0.00 0.00 -1.02 0.00 0.00 32.46 31.49 2wkl n ARG 496 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11