#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wuu n HIS 1 N 0.00 -1.14 0.34 4.41 -0.00 -1.26 -4.78 115.22 112.79 1wuu n HIS 1 Ca 0.00 0.30 0.12 0.00 -0.00 0.00 0.00 57.72 58.14 1wuu n HIS 1 Cb 0.00 -1.86 0.22 0.00 -0.00 0.00 0.00 29.99 28.35 1wuu n HIS 1 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1wuu h ALA 2 N -0.85 0.92 -0.07 1.57 0.00 -2.01 -2.55 119.26 116.27 1wuu h ALA 2 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1wuu h ALA 2 Cb 1.32 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1wuu h ALA 2 CO 0.39 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.64 1wuu n ALA 3 N -2.01 2.49 -2.62 0.00 0.00 -1.26 -4.87 120.51 112.24 1wuu n ALA 3 Ca 0.04 -0.65 -0.42 0.00 0.00 0.00 0.00 53.44 52.41 1wuu n ALA 3 Cb 0.50 -0.92 -0.04 0.00 0.00 0.00 0.00 19.45 18.99 1wuu n ALA 3 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1wuu s LEU 4 N -1.92 4.05 -0.23 0.00 2.96 -0.96 -2.06 118.68 120.52 1wuu s LEU 4 Ca 0.32 0.72 -0.12 0.00 -0.22 0.00 0.00 54.13 54.83 1wuu s LEU 4 Cb 0.20 -3.20 -0.05 0.00 0.50 0.00 0.00 46.19 43.65 1wuu s LEU 4 CO 0.31 -0.71 0.24 -0.13 -1.32 0.00 0.00 176.35 174.74 1wuu s ARG 5 N 3.18 4.10 -0.45 1.98 1.81 -0.94 -4.86 118.95 123.77 1wuu s ARG 5 Ca 0.36 -0.12 0.07 0.00 -1.72 0.00 0.00 55.73 54.32 1wuu s ARG 5 Cb -0.13 -3.54 0.41 0.00 -0.45 0.00 0.00 34.95 31.23 1wuu s ARG 5 CO 0.14 0.02 1.05 1.04 -0.68 0.00 0.00 175.30 176.87 1wuu n GLN 6 N 4.37 3.02 -1.71 3.54 6.02 -1.26 -4.58 117.38 126.77 1wuu n GLN 6 Ca -0.13 -4.38 -0.43 0.00 -0.01 0.00 0.00 57.00 52.05 1wuu n GLN 6 Cb 0.52 -2.10 -0.03 0.00 1.02 0.00 0.00 30.24 29.65 1wuu n GLN 6 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 177.06 173.75 1wuu n PRO 7 N -0.36 2.50 -4.26 -1.09 -0.02 -1.26 -4.96 135.00 125.56 1wuu n PRO 7 Ca 0.33 0.89 -0.35 0.00 -2.02 0.00 0.00 63.50 62.36 1wuu n PRO 7 Cb 0.63 -2.66 -0.09 0.00 -0.02 0.00 0.00 33.50 31.35 1wuu n PRO 7 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1wuu s GLN 8 N 0.13 3.25 0.25 -0.52 -1.52 -1.26 -4.88 119.66 115.10 1wuu s GLN 8 Ca 0.70 -0.37 0.01 0.00 -1.95 0.00 0.00 55.36 53.75 1wuu s GLN 8 Cb -0.56 -2.92 0.31 0.00 -0.22 0.00 0.00 33.01 29.62 1wuu s GLN 8 CO 0.43 0.61 1.65 0.28 -0.25 0.00 0.00 175.29 178.01 1wuu h VAL 9 N 4.32 1.29 0.08 1.09 2.07 -1.93 0.32 116.25 123.50 1wuu h VAL 9 Ca -0.48 -1.48 -0.00 0.00 0.82 0.00 0.00 66.70 65.56 1wuu h VAL 9 Cb 1.19 1.52 0.00 0.00 -1.52 0.00 0.00 31.29 32.48 1wuu h VAL 9 CO 0.58 0.46 -0.04 0.00 0.02 0.00 0.00 177.57 178.59 1wuu h ALA 10 N 1.20 -0.11 -0.74 1.67 0.00 -2.00 -0.90 119.26 118.38 1wuu h ALA 10 Ca 0.04 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1wuu h ALA 10 Cb 0.82 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1wuu h ALA 10 CO 0.07 -0.56 0.00 0.39 0.00 0.00 0.00 179.25 179.15 1wuu n GLU 11 N -5.13 0.00 -0.26 0.00 1.02 -0.97 -1.82 120.64 113.49 1wuu n GLU 11 Ca -0.08 0.73 0.20 0.00 -0.02 0.00 0.00 57.16 58.00 1wuu n GLU 11 Cb 0.08 -1.38 0.38 0.00 -0.02 0.00 0.00 31.44 30.51 1wuu n GLU 11 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 1wuu n LEU 12 N -2.25 0.15 0.39 -4.62 7.94 0.06 0.10 117.00 118.77 1wuu n LEU 12 Ca 0.00 1.30 -0.15 0.00 -1.11 0.00 0.00 56.01 56.05 1wuu n LEU 12 Cb 0.00 -0.58 -0.07 0.00 0.53 0.00 0.00 43.42 43.30 1wuu n LEU 12 CO 0.00 -1.41 0.41 0.25 -1.11 0.00 0.00 177.39 175.53 1wuu h LEU 13 N 0.00 -0.85 -0.97 -1.96 5.85 -0.42 -2.25 115.31 114.71 1wuu h LEU 13 Ca 0.60 0.03 0.40 0.00 0.84 0.00 0.00 57.88 59.74 1wuu h LEU 13 Cb 1.49 0.22 -0.18 0.00 0.37 0.00 0.00 40.66 42.57 1wuu h LEU 13 CO -0.64 -0.49 0.48 0.00 -0.34 0.00 0.00 178.44 177.44 1wuu n ALA 14 N -2.68 0.95 0.46 1.25 0.00 0.29 0.15 120.51 120.93 1wuu n ALA 14 Ca -0.13 1.00 -0.19 0.00 0.00 0.00 0.00 53.44 54.12 1wuu n ALA 14 Cb 0.40 -0.97 -0.09 0.00 0.00 0.00 0.00 19.45 18.79 1wuu n ALA 14 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1wuu h GLU 15 N 0.00 -1.12 -1.05 0.00 5.08 -1.00 -0.97 114.58 115.52 1wuu h GLU 15 Ca 0.80 0.08 0.29 0.00 -1.00 0.00 0.00 59.36 59.53 1wuu h GLU 15 Cb 2.10 0.25 -0.06 0.00 0.50 0.00 0.00 28.75 31.54 1wuu h GLU 15 CO -0.76 -0.74 0.73 0.00 -1.00 0.00 0.00 179.01 177.23 1wuu h ALA 16 N -1.15 2.71 -0.25 3.43 0.00 0.20 0.50 119.26 124.71 1wuu h ALA 16 Ca -0.12 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.72 1wuu h ALA 16 Cb 0.90 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 1wuu h ALA 16 CO 0.19 -1.05 -0.14 -0.09 0.00 0.00 0.00 179.25 178.17 1wuu h ARG 17 N 0.15 0.53 0.39 0.00 2.43 -0.19 -2.72 114.38 114.97 1wuu h ARG 17 Ca 0.53 -0.24 -0.02 0.00 -0.81 0.00 0.00 59.98 59.45 1wuu h ARG 17 Cb 1.81 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 31.36 1wuu h ARG 17 CO -0.11 0.80 -0.19 -0.09 -1.51 0.00 0.00 179.97 178.87 1wuu h ARG 18 N 0.24 -0.50 -0.87 0.20 2.43 0.13 -1.10 114.38 114.91 1wuu h ARG 18 Ca 0.05 0.03 0.20 0.00 -0.81 0.00 0.00 59.98 59.46 1wuu h ARG 18 Cb 0.65 0.11 -0.12 0.00 -0.42 0.00 0.00 29.97 30.20 1wuu h ARG 18 CO 0.04 -0.34 0.36 0.00 -1.51 0.00 0.00 179.97 178.52 1wuu h ALA 19 N -1.57 1.34 0.20 2.80 0.00 -1.27 0.13 119.26 120.89 1wuu h ALA 19 Ca -0.05 0.16 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1wuu h ALA 19 Cb 0.40 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1wuu h ALA 19 CO 0.09 -0.32 -0.15 0.35 0.00 0.00 0.00 179.25 179.22 1wuu h PHE 20 N 0.40 -0.38 -0.80 0.00 3.57 -1.50 3.41 116.94 121.63 1wuu h PHE 20 Ca 0.53 -0.00 0.09 0.00 3.53 0.00 0.00 57.97 62.11 1wuu h PHE 20 Cb 0.96 0.14 -0.05 0.00 2.79 0.00 0.00 35.95 39.79 1wuu h PHE 20 CO -0.16 -0.23 0.52 0.00 -2.23 0.00 0.00 178.31 176.22 1wuu h ARG 21 N -0.35 0.76 0.10 1.11 3.08 0.35 0.63 114.38 120.07 1wuu h ARG 21 Ca -0.01 -0.05 -0.13 0.00 0.07 0.00 0.00 59.98 59.86 1wuu h ARG 21 Cb 0.31 -0.17 0.02 0.00 0.08 0.00 0.00 29.97 30.20 1wuu h ARG 21 CO -0.00 0.50 -0.57 1.49 -1.07 0.00 0.00 179.97 180.32 1wuu h GLU 22 N 0.79 0.22 0.00 0.04 4.81 -0.24 0.55 114.58 120.74 1wuu h GLU 22 Ca 0.36 -0.36 -0.13 0.00 -0.13 0.00 0.00 59.36 59.10 1wuu h GLU 22 Cb 0.38 0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.88 1wuu h GLU 22 CO -0.14 1.17 -0.64 1.49 -0.73 0.00 0.00 179.01 180.16 1wuu h GLU 23 N -0.54 0.00 0.00 1.92 4.57 0.67 -3.34 114.58 117.86 1wuu h GLU 23 Ca -0.10 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.08 1wuu h GLU 23 Cb 1.45 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.04 1wuu h GLU 23 CO 0.11 0.64 -0.86 1.19 -1.18 0.00 0.00 179.01 178.91 1wuu n PHE 24 N -3.54 0.00 -0.41 0.92 3.72 0.22 -4.99 117.46 113.37 1wuu n PHE 24 Ca -0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1wuu n PHE 24 Cb 0.69 -0.09 0.00 0.00 -0.94 0.00 0.00 39.48 39.13 1wuu n PHE 24 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1wuu n GLY 25 N 1.55 1.31 3.38 1.37 0.00 0.17 -5.00 105.19 107.96 1wuu n GLY 25 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 1wuu n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wuu s ALA 26 N -3.09 0.12 0.29 4.61 0.00 -1.12 -4.93 121.76 117.64 1wuu s ALA 26 Ca 0.00 -1.01 -0.29 0.00 0.00 0.00 0.00 51.96 50.65 1wuu s ALA 26 Cb 0.00 1.00 -0.10 0.00 0.00 0.00 0.00 23.12 24.02 1wuu s ALA 26 CO 0.00 -0.69 1.38 -1.21 0.00 0.00 0.00 175.76 175.24 1wuu s GLU 27 N -4.01 4.30 0.48 0.00 0.41 -1.26 -3.50 118.70 115.11 1wuu s GLU 27 Ca 0.22 2.27 -0.22 0.00 -0.41 0.00 0.00 54.97 56.84 1wuu s GLU 27 Cb 0.03 -3.09 -0.07 0.00 -1.78 0.00 0.00 34.13 29.22 1wuu s GLU 27 CO 0.04 -0.33 1.12 -1.25 -0.49 0.00 0.00 175.26 174.35 1wuu s PRO 28 N -1.05 3.71 -0.14 0.39 0.04 -1.26 -4.96 135.00 131.72 1wuu s PRO 28 Ca 0.55 1.62 0.02 0.00 0.04 0.00 0.00 61.00 63.23 1wuu s PRO 28 Cb -0.41 -2.26 -0.23 0.00 0.04 0.00 0.00 34.50 31.63 1wuu s PRO 28 CO 0.48 -0.56 0.28 0.39 0.04 0.00 0.00 177.00 177.64 1wuu n GLU 29 N -0.74 0.70 -4.30 4.56 1.02 0.08 -4.90 120.64 117.06 1wuu n GLU 29 Ca 0.09 0.22 -0.28 0.00 -0.02 0.00 0.00 57.16 57.17 1wuu n GLU 29 Cb 0.50 -1.67 -0.10 0.00 -0.02 0.00 0.00 31.44 30.15 1wuu n GLU 29 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1wuu s LEU 30 N -6.56 2.84 -0.22 -4.62 1.43 0.14 -4.77 118.68 106.93 1wuu s LEU 30 Ca -0.20 -0.59 -0.04 0.00 -1.03 0.00 0.00 54.13 52.27 1wuu s LEU 30 Cb 0.07 -1.58 0.10 0.00 0.03 0.00 0.00 46.19 44.81 1wuu s LEU 30 CO 0.75 0.13 0.23 0.00 0.23 0.00 0.00 176.35 177.70 1wuu s ALA 31 N -1.51 -0.29 0.47 4.21 0.00 -1.22 -1.97 121.76 121.45 1wuu s ALA 31 Ca 0.22 0.19 0.04 0.00 0.00 0.00 0.00 51.96 52.41 1wuu s ALA 31 Cb -0.09 -1.38 -0.03 0.00 0.00 0.00 0.00 23.12 21.61 1wuu s ALA 31 CO 0.13 -1.27 0.08 0.14 0.00 0.00 0.00 175.76 174.83 1wuu s VAL 32 N 2.33 1.60 -0.29 0.00 -7.23 -0.60 0.28 120.40 116.49 1wuu s VAL 32 Ca 0.07 -1.90 -0.17 0.00 -1.81 0.00 0.00 61.98 58.18 1wuu s VAL 32 Cb -0.16 -2.50 0.14 0.00 0.56 0.00 0.00 36.38 34.43 1wuu s VAL 32 CO -0.15 0.00 0.96 -0.94 -0.31 0.00 0.00 175.10 174.66 1wuu s SER 33 N -3.89 -0.53 -0.11 4.85 1.04 -0.48 -2.29 113.70 112.29 1wuu s SER 33 Ca 0.22 0.86 0.03 0.00 0.48 0.00 0.00 55.95 57.54 1wuu s SER 33 Cb 0.04 1.19 0.01 0.00 0.10 0.00 0.00 66.02 67.36 1wuu s SER 33 CO 0.12 -0.14 -0.22 0.00 0.98 0.00 0.00 173.24 173.99 1wuu s ALA 34 N 1.28 2.06 0.62 5.32 0.00 0.66 -0.61 121.76 131.09 1wuu s ALA 34 Ca -0.08 -0.93 -0.08 0.00 0.00 0.00 0.00 51.96 50.87 1wuu s ALA 34 Cb -0.04 -0.84 0.00 0.00 0.00 0.00 0.00 23.12 22.24 1wuu s ALA 34 CO -0.15 0.15 0.97 -1.25 0.00 0.00 0.00 175.76 175.48 1wuu s PRO 35 N 0.56 3.01 0.00 0.00 0.04 -1.26 0.16 135.00 137.51 1wuu s PRO 35 Ca -0.14 0.23 0.00 0.00 0.04 0.00 0.00 61.00 61.13 1wuu s PRO 35 Cb -0.17 -2.18 0.00 0.00 0.04 0.00 0.00 34.50 32.19 1wuu s PRO 35 CO 0.04 -0.76 0.00 0.41 0.04 0.00 0.00 177.00 176.73 1wuu n GLY 36 N -2.71 1.51 3.41 0.56 0.00 -0.60 -4.25 105.19 103.11 1wuu n GLY 36 Ca 0.05 -2.04 -0.15 0.00 0.00 0.00 0.00 46.02 43.88 1wuu n GLY 36 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1wuu s ARG 37 N -0.61 0.97 -0.10 1.61 1.04 -0.75 -2.30 118.95 118.80 1wuu s ARG 37 Ca 0.00 -0.03 0.02 0.00 -1.04 0.00 0.00 55.73 54.69 1wuu s ARG 37 Cb 0.00 0.45 -0.01 0.00 -2.04 0.00 0.00 34.95 33.35 1wuu s ARG 37 CO 0.00 -0.32 -0.18 0.54 -0.04 0.00 0.00 175.30 175.30 1wuu s VAL 38 N -1.71 2.64 -0.40 4.99 0.11 -1.26 -4.11 120.40 120.66 1wuu s VAL 38 Ca -0.09 -0.82 -0.24 0.00 -2.93 0.00 0.00 61.98 57.89 1wuu s VAL 38 Cb -0.01 -2.06 0.02 0.00 -1.53 0.00 0.00 36.38 32.79 1wuu s VAL 38 CO 0.04 0.55 0.85 0.21 -3.33 0.00 0.00 175.10 173.42 1wuu s ASN 39 N 0.17 6.55 0.15 3.54 3.04 -1.26 -4.31 114.94 122.82 1wuu s ASN 39 Ca -0.10 0.29 -0.16 0.00 0.04 0.00 0.00 52.86 52.93 1wuu s ASN 39 Cb -0.16 -2.42 0.01 0.00 -1.54 0.00 0.00 41.25 37.14 1wuu s ASN 39 CO 0.06 -0.85 1.78 -0.07 -3.04 0.00 0.00 177.10 174.97 1wuu h LEU 40 N 10.05 0.50 -7.10 3.21 3.38 -1.43 -3.44 115.31 120.48 1wuu h LEU 40 Ca -0.24 -0.06 0.07 0.00 0.09 0.00 0.00 57.88 57.74 1wuu h LEU 40 Cb 1.09 -0.13 -0.13 0.00 0.09 0.00 0.00 40.66 41.58 1wuu h LEU 40 CO 0.96 0.41 0.39 -0.51 0.09 0.00 0.00 178.44 179.78 1wuu s ILE 41 N -5.98 0.00 0.00 1.22 2.07 -1.21 -4.99 121.20 112.31 1wuu s ILE 41 Ca -0.13 -0.10 0.00 0.00 -1.41 0.00 0.00 60.65 59.00 1wuu s ILE 41 Cb 0.11 -1.13 0.00 0.00 0.13 0.00 0.00 42.46 41.56 1wuu s ILE 41 CO 0.73 0.00 0.00 0.61 -1.91 0.00 0.00 174.94 174.37 1wuu n GLY 42 N -0.32 0.58 3.76 1.50 0.00 -1.26 -1.73 105.19 107.73 1wuu n GLY 42 Ca -0.11 -0.15 -0.39 0.00 0.00 0.00 0.00 46.02 45.37 1wuu n GLY 42 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wuu s GLU 43 N 0.46 4.42 -1.40 1.61 8.01 -1.26 -4.12 118.70 126.41 1wuu s GLU 43 Ca 0.00 0.94 0.00 0.00 0.01 0.00 0.00 54.97 55.92 1wuu s GLU 43 Cb 0.00 -3.32 0.00 0.00 -4.31 0.00 0.00 34.13 26.50 1wuu s GLU 43 CO 0.00 0.41 0.00 0.72 0.01 0.00 0.00 175.26 176.40 1wuu n HIS 44 N 2.43 -0.74 -0.11 1.61 8.25 -1.26 -4.86 115.22 120.54 1wuu n HIS 44 Ca -0.05 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.26 1wuu n HIS 44 Cb 0.50 -3.30 -0.10 0.00 1.12 0.00 0.00 29.99 28.21 1wuu n HIS 44 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1wuu n THR 45 N -3.96 1.24 0.00 1.59 -2.24 -1.26 -4.67 114.28 104.98 1wuu n THR 45 Ca -0.19 -0.51 0.00 0.00 -2.27 0.00 0.00 64.05 61.08 1wuu n THR 45 Cb 0.64 -1.19 0.00 0.00 -2.10 0.00 0.00 70.33 67.69 1wuu n THR 45 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1wuu n ASP 46 N -3.08 0.00 -0.96 3.42 8.00 -1.26 0.42 116.55 123.09 1wuu n ASP 46 Ca -0.37 0.00 0.04 0.00 0.71 0.00 0.00 54.79 55.16 1wuu n ASP 46 Cb 0.93 0.00 0.17 0.00 -0.02 0.00 0.00 41.12 42.20 1wuu n ASP 46 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1wuu n TYR 47 N -3.12 0.77 -0.70 1.24 0.18 -1.26 -2.66 117.16 111.61 1wuu n TYR 47 Ca 0.00 -0.29 0.02 0.00 1.88 0.00 0.00 57.90 59.51 1wuu n TYR 47 Cb 0.00 -0.19 0.02 0.00 -0.38 0.00 0.00 39.34 38.79 1wuu n TYR 47 CO 0.00 0.00 0.00 0.09 -2.08 0.00 0.00 176.86 174.87 1wuu n ASN 48 N 0.34 1.21 -3.25 9.48 3.02 1.39 -4.97 115.26 122.48 1wuu n ASN 48 Ca 0.12 -1.86 -0.21 0.00 -0.03 0.00 0.00 54.58 52.60 1wuu n ASN 48 Cb 0.55 -0.09 0.07 0.00 -0.61 0.00 0.00 39.78 39.70 1wuu n ASN 48 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1wuu n GLN 49 N -0.43 -7.10 -1.58 3.52 6.02 -0.49 -3.72 117.38 113.59 1wuu n GLN 49 Ca 0.02 0.74 -0.05 0.00 -0.01 0.00 0.00 57.00 57.70 1wuu n GLN 49 Cb 0.44 -5.51 0.02 0.00 1.02 0.00 0.00 30.24 26.20 1wuu n GLN 49 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1wuu n GLY 50 N -1.84 2.05 3.95 1.08 0.00 -0.81 -4.05 105.19 105.56 1wuu n GLY 50 Ca 0.01 -2.16 -0.23 0.00 0.00 0.00 0.00 46.02 43.63 1wuu n GLY 50 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wuu s LEU 51 N 0.00 4.20 0.04 0.99 1.43 -1.26 -2.30 118.68 121.78 1wuu s LEU 51 Ca 0.15 0.27 -0.07 0.00 -1.03 0.00 0.00 54.13 53.45 1wuu s LEU 51 Cb -0.01 -3.08 -0.01 0.00 0.03 0.00 0.00 46.19 43.12 1wuu s LEU 51 CO 0.10 -0.14 0.13 0.68 0.23 0.00 0.00 176.35 177.34 1wuu s VAL 52 N -2.07 0.13 -0.40 -1.59 -7.23 -1.13 -4.68 120.40 103.43 1wuu s VAL 52 Ca 0.37 -1.03 0.06 0.00 -1.81 0.00 0.00 61.98 59.57 1wuu s VAL 52 Cb -0.10 -0.90 0.21 0.00 0.56 0.00 0.00 36.38 36.15 1wuu s VAL 52 CO 0.31 -0.57 0.44 -0.11 -0.31 0.00 0.00 175.10 174.87 1wuu n LEU 53 N 0.73 -0.23 0.00 1.32 7.94 -0.70 -1.96 117.00 124.10 1wuu n LEU 53 Ca -0.19 -4.50 0.00 0.00 -1.11 0.00 0.00 56.01 50.21 1wuu n LEU 53 Cb 0.59 0.60 0.00 0.00 0.53 0.00 0.00 43.42 45.14 1wuu n LEU 53 CO 0.23 1.97 0.00 -0.81 -1.11 0.00 0.00 177.39 177.66 1wuu n PRO 54 N 2.11 3.20 -4.33 1.96 -0.04 -1.16 -1.11 135.00 135.64 1wuu n PRO 54 Ca 0.25 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.44 1wuu n PRO 54 Cb 0.51 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.86 1wuu n PRO 54 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1wuu s ALA 56 N -3.51 2.77 0.50 0.55 0.00 -1.26 -1.67 121.76 119.14 1wuu s ALA 56 Ca 0.00 -1.49 0.05 0.00 0.00 0.00 0.00 51.96 50.52 1wuu s ALA 56 Cb 0.00 -0.60 -0.00 0.00 0.00 0.00 0.00 23.12 22.51 1wuu s ALA 56 CO 0.00 0.49 0.23 -0.51 0.00 0.00 0.00 175.76 175.97 1wuu s LEU 57 N -2.62 2.72 0.05 0.00 1.43 -0.97 0.22 118.68 119.51 1wuu s LEU 57 Ca 0.22 -1.30 0.27 0.00 -1.03 0.00 0.00 54.13 52.28 1wuu s LEU 57 Cb -0.09 -1.15 0.81 0.00 0.03 0.00 0.00 46.19 45.80 1wuu s LEU 57 CO 0.12 -0.87 1.66 -0.62 0.23 0.00 0.00 176.35 176.87 1wuu n GLU 58 N -1.48 0.09 -2.55 1.70 1.02 -1.26 -4.43 120.64 113.72 1wuu n GLU 58 Ca -0.06 0.05 -0.41 0.00 -0.02 0.00 0.00 57.16 56.72 1wuu n GLU 58 Cb 0.65 -1.58 -0.04 0.00 -0.02 0.00 0.00 31.44 30.45 1wuu n GLU 58 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1wuu s LEU 59 N -3.44 4.52 -0.13 -4.62 1.43 -1.26 -4.85 118.68 110.32 1wuu s LEU 59 Ca 0.11 2.08 0.02 0.00 -1.03 0.00 0.00 54.13 55.31 1wuu s LEU 59 Cb 0.17 -3.61 0.01 0.00 0.03 0.00 0.00 46.19 42.79 1wuu s LEU 59 CO 0.62 -0.16 -0.18 -0.89 0.23 0.00 0.00 176.35 175.97 1wuu s THR 61 N -0.46 1.79 -0.16 5.49 2.01 0.41 -1.55 115.64 123.18 1wuu s THR 61 Ca 0.48 -0.80 -0.03 0.00 0.31 0.00 0.00 61.69 61.64 1wuu s THR 61 Cb -0.29 -1.62 -0.02 0.00 0.01 0.00 0.00 72.50 70.58 1wuu s THR 61 CO 0.35 0.50 -0.06 -0.69 -0.69 0.00 0.00 174.62 174.03 1wuu s VAL 62 N 1.03 3.61 -0.10 3.82 1.01 -0.32 -0.25 120.40 129.21 1wuu s VAL 62 Ca -0.04 -0.45 0.03 0.00 0.00 0.00 0.00 61.98 61.52 1wuu s VAL 62 Cb -0.15 -2.58 -0.01 0.00 0.00 0.00 0.00 36.38 33.65 1wuu s VAL 62 CO -0.04 0.49 -0.18 -0.76 0.00 0.00 0.00 175.10 174.60 1wuu s LEU 63 N 0.53 2.42 -0.02 3.92 1.02 -0.97 -1.44 118.68 124.14 1wuu s LEU 63 Ca -0.04 -0.41 0.02 0.00 0.02 0.00 0.00 54.13 53.71 1wuu s LEU 63 Cb -0.15 -1.51 0.01 0.00 0.02 0.00 0.00 46.19 44.57 1wuu s LEU 63 CO 0.03 0.20 -0.06 -0.69 0.02 0.00 0.00 176.35 175.85 1wuu s VAL 64 N 0.15 0.55 0.00 -1.59 1.01 -0.94 -1.55 120.40 118.03 1wuu s VAL 64 Ca -0.10 -0.22 0.00 0.00 0.00 0.00 0.00 61.98 61.66 1wuu s VAL 64 Cb -0.16 -0.51 0.00 0.00 0.00 0.00 0.00 36.38 35.71 1wuu s VAL 64 CO 0.06 0.19 0.00 0.61 0.00 0.00 0.00 175.10 175.96 1wuu n GLY 65 N 3.41 0.64 3.22 4.51 0.00 -0.83 -1.30 105.19 114.84 1wuu n GLY 65 Ca -0.19 -0.75 -0.13 0.00 0.00 0.00 0.00 46.02 44.96 1wuu n GLY 65 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wuu s SER 66 N -0.01 -0.15 1.04 1.61 0.01 -0.75 0.28 113.70 115.73 1wuu s SER 66 Ca 0.00 0.00 -0.12 0.00 1.31 0.00 0.00 55.95 57.15 1wuu s SER 66 Cb 0.00 0.30 0.21 0.00 0.21 0.00 0.00 66.02 66.74 1wuu s SER 66 CO 0.00 -0.45 1.08 -2.16 0.41 0.00 0.00 173.24 172.11 1wuu s PRO 67 N -1.48 0.05 -0.04 12.44 0.04 -1.26 -0.35 135.00 144.39 1wuu s PRO 67 Ca -0.13 1.04 -0.00 0.00 0.04 0.00 0.00 61.00 61.95 1wuu s PRO 67 Cb -0.05 -1.65 0.03 0.00 0.04 0.00 0.00 34.50 32.86 1wuu s PRO 67 CO 0.03 -3.13 0.00 1.03 0.04 0.00 0.00 177.00 174.97 1wuu s ARG 68 N -4.61 0.38 0.44 4.56 0.52 1.33 -4.66 118.95 116.91 1wuu s ARG 68 Ca 0.67 0.10 0.19 0.00 -0.52 0.00 0.00 55.73 56.17 1wuu s ARG 68 Cb -0.23 -0.64 1.01 0.00 0.52 0.00 0.00 34.95 35.61 1wuu s ARG 68 CO 0.61 -0.19 1.92 0.87 0.02 0.00 0.00 175.30 178.53 1wuu h LYS 69 N 7.66 0.00 -0.48 3.54 1.57 -1.97 -3.02 116.57 123.87 1wuu h LYS 69 Ca -0.32 0.00 0.09 0.00 -1.87 0.00 0.00 60.65 58.55 1wuu h LYS 69 Cb 1.13 0.00 -0.10 0.00 0.08 0.00 0.00 32.23 33.34 1wuu h LYS 69 CO 0.38 0.25 -0.32 0.22 -0.57 0.00 0.00 179.45 179.41 1wuu h ASP 70 N 0.00 -1.09 0.00 0.86 3.58 -1.93 -3.47 116.42 114.38 1wuu h ASP 70 Ca -0.00 0.20 0.00 0.00 0.42 0.00 0.00 57.03 57.65 1wuu h ASP 70 Cb 0.53 0.53 0.00 0.00 1.72 0.00 0.00 39.33 42.11 1wuu h ASP 70 CO 0.03 -0.31 0.00 0.61 -2.88 0.00 0.00 179.24 176.70 1wuu n GLY 71 N -1.42 1.05 3.35 -0.78 0.00 -1.14 -5.07 105.19 101.17 1wuu n GLY 71 Ca 0.03 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.83 1wuu n GLY 71 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wuu s LEU 72 N 0.00 2.47 -0.23 0.99 1.43 -1.26 -4.11 118.68 117.96 1wuu s LEU 72 Ca 0.00 -0.90 -0.07 0.00 -1.03 0.00 0.00 54.13 52.13 1wuu s LEU 72 Cb 0.00 -0.85 -0.03 0.00 0.03 0.00 0.00 46.19 45.34 1wuu s LEU 72 CO 0.00 -0.04 0.06 -0.69 0.23 0.00 0.00 176.35 175.91 1wuu s VAL 73 N -2.18 4.34 -0.08 -1.59 1.01 0.21 -1.54 120.40 120.58 1wuu s VAL 73 Ca 0.18 -0.17 -0.02 0.00 0.00 0.00 0.00 61.98 61.97 1wuu s VAL 73 Cb -0.05 -3.01 0.04 0.00 0.00 0.00 0.00 36.38 33.35 1wuu s VAL 73 CO 0.07 0.37 0.05 -0.55 0.00 0.00 0.00 175.10 175.04 1wuu s SER 74 N 1.36 1.54 0.40 3.32 0.15 -0.64 0.11 113.70 119.93 1wuu s SER 74 Ca 0.05 -0.13 0.06 0.00 0.70 0.00 0.00 55.95 56.64 1wuu s SER 74 Cb -0.15 -0.24 -0.08 0.00 -1.71 0.00 0.00 66.02 63.85 1wuu s SER 74 CO 0.03 -0.26 0.02 -0.76 1.20 0.00 0.00 173.24 173.47 1wuu s LEU 75 N 2.11 2.75 -0.08 3.45 1.43 0.11 -2.02 118.68 126.42 1wuu s LEU 75 Ca 0.04 -1.38 -0.10 0.00 -1.03 0.00 0.00 54.13 51.66 1wuu s LEU 75 Cb -0.13 -0.81 0.02 0.00 0.03 0.00 0.00 46.19 45.30 1wuu s LEU 75 CO -0.05 -0.49 0.26 -0.22 0.23 0.00 0.00 176.35 176.09 1wuu s LEU 76 N -3.68 1.01 -0.20 1.79 2.96 -0.56 -2.06 118.68 117.94 1wuu s LEU 76 Ca 0.34 0.43 0.01 0.00 -0.22 0.00 0.00 54.13 54.70 1wuu s LEU 76 Cb 0.10 0.93 0.03 0.00 0.50 0.00 0.00 46.19 47.75 1wuu s LEU 76 CO 0.17 -0.15 -0.18 -0.89 -1.32 0.00 0.00 176.35 173.99 1wuu s THR 77 N -0.13 2.13 -2.00 3.68 2.01 0.14 -0.51 115.64 120.96 1wuu s THR 77 Ca -0.03 -1.06 0.17 0.00 0.31 0.00 0.00 61.69 61.08 1wuu s THR 77 Cb -0.03 -1.97 0.48 0.00 0.01 0.00 0.00 72.50 70.99 1wuu s THR 77 CO 0.01 0.42 1.54 0.35 -0.69 0.00 0.00 174.62 176.25 1wuu n THR 78 N 4.59 0.00 -2.68 -0.82 -2.24 -0.36 -4.81 114.28 107.96 1wuu n THR 78 Ca -0.19 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.17 1wuu n THR 78 Cb 0.48 -0.39 -0.04 0.00 -2.10 0.00 0.00 70.33 68.29 1wuu n THR 78 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1wuu s SER 79 N -1.68 7.41 0.31 3.42 0.01 -1.26 -4.90 113.70 117.00 1wuu s SER 79 Ca 0.25 1.79 0.23 0.00 1.31 0.00 0.00 55.95 59.54 1wuu s SER 79 Cb 0.12 -2.58 0.26 0.00 0.21 0.00 0.00 66.02 64.03 1wuu s SER 79 CO 0.19 -0.17 1.40 -0.33 0.41 0.00 0.00 173.24 174.74 1wuu h GLU 80 N 6.01 0.00 0.00 12.44 5.08 -1.99 -3.27 114.58 132.85 1wuu h GLU 80 Ca -0.42 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.94 1wuu h GLU 80 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1wuu h GLU 80 CO 0.74 0.00 0.00 0.78 -1.00 0.00 0.00 179.01 179.53 1wuu h GLY 81 N 4.10 0.00 -0.92 -3.84 0.00 -1.98 -3.46 103.07 96.97 1wuu h GLY 81 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 47.33 46.91 1wuu h GLY 81 CO 0.00 0.00 0.09 0.00 0.00 0.00 0.00 176.54 176.63 1wuu s ALA 82 N -3.24 0.32 0.06 3.60 0.00 -1.24 -4.99 121.76 116.26 1wuu s ALA 82 Ca 0.07 -0.78 -0.18 0.00 0.00 0.00 0.00 51.96 51.06 1wuu s ALA 82 Cb 0.10 -2.96 -0.06 0.00 0.00 0.00 0.00 23.12 20.20 1wuu s ALA 82 CO 0.49 -3.69 0.53 0.34 0.00 0.00 0.00 175.76 173.43 1wuu s ASP 83 N -3.59 7.01 0.36 0.00 2.15 -1.26 -5.07 116.67 116.27 1wuu s ASP 83 Ca 0.69 1.20 -0.26 0.00 0.43 0.00 0.00 52.55 54.61 1wuu s ASP 83 Cb -0.13 -2.34 -0.09 0.00 -0.30 0.00 0.00 42.92 40.07 1wuu s ASP 83 CO 0.57 0.28 1.11 -1.61 -0.17 0.00 0.00 175.17 175.35 1wuu s GLU 84 N -1.08 4.29 0.80 4.34 2.02 -1.26 -4.27 118.70 123.54 1wuu s GLU 84 Ca 0.28 1.72 -0.11 0.00 0.02 0.00 0.00 54.97 56.88 1wuu s GLU 84 Cb -0.19 -2.80 0.08 0.00 0.10 0.00 0.00 34.13 31.32 1wuu s GLU 84 CO 0.18 -0.08 1.16 -1.25 0.02 0.00 0.00 175.26 175.28 1wuu s PRO 85 N -2.08 1.92 0.00 0.39 0.04 -1.26 -4.55 135.00 129.45 1wuu s PRO 85 Ca 0.53 0.01 0.27 0.00 0.04 0.00 0.00 61.00 61.86 1wuu s PRO 85 Cb -0.28 -1.98 0.96 0.00 0.04 0.00 0.00 34.50 33.23 1wuu s PRO 85 CO 0.36 -1.59 1.71 1.04 0.04 0.00 0.00 177.00 178.56 1wuu n GLN 86 N -3.28 0.31 -4.40 4.56 6.02 -1.26 -4.83 117.38 114.50 1wuu n GLN 86 Ca 0.08 -0.12 -0.23 0.00 -0.01 0.00 0.00 57.00 56.72 1wuu n GLN 86 Cb 0.61 -1.50 -0.11 0.00 1.02 0.00 0.00 30.24 30.26 1wuu n GLN 86 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1wuu s ARG 87 N -2.77 1.48 -0.23 -1.09 0.52 -1.26 -0.69 118.95 114.90 1wuu s ARG 87 Ca 0.19 -1.59 -0.26 0.00 -0.52 0.00 0.00 55.73 53.55 1wuu s ARG 87 Cb 0.19 -1.55 0.08 0.00 0.52 0.00 0.00 34.95 34.19 1wuu s ARG 87 CO 0.56 0.30 0.79 -1.17 0.02 0.00 0.00 175.30 175.81 1wuu s LEU 88 N -3.09 -0.66 -0.02 2.53 2.96 -0.88 -4.95 118.68 114.59 1wuu s LEU 88 Ca 0.23 1.17 0.02 0.00 -0.22 0.00 0.00 54.13 55.33 1wuu s LEU 88 Cb -0.05 2.33 -0.00 0.00 0.50 0.00 0.00 46.19 48.97 1wuu s LEU 88 CO 0.10 -0.29 -0.08 -1.10 -1.32 0.00 0.00 176.35 173.66 1wuu s GLN 89 N 0.04 0.77 -0.02 1.98 1.11 -1.26 -0.71 119.66 121.57 1wuu s GLN 89 Ca -0.01 -0.28 -0.29 0.00 0.01 0.00 0.00 55.36 54.78 1wuu s GLN 89 Cb -0.04 -0.74 0.07 0.00 -1.01 0.00 0.00 33.01 31.29 1wuu s GLN 89 CO 0.01 0.14 0.66 -0.59 0.01 0.00 0.00 175.29 175.51 1wuu s PHE 90 N 0.01 -0.63 0.27 0.91 -0.12 0.30 -4.98 117.98 113.76 1wuu s PHE 90 Ca 0.00 0.98 -0.24 0.00 -0.05 0.00 0.00 56.93 57.61 1wuu s PHE 90 Cb -0.06 0.42 -0.09 0.00 -0.63 0.00 0.00 43.02 42.66 1wuu s PHE 90 CO -0.00 -0.64 0.86 -1.25 -0.05 0.00 0.00 175.22 174.14 1wuu s PRO 91 N -1.59 4.51 0.76 1.99 0.04 -1.26 0.67 135.00 140.12 1wuu s PRO 91 Ca -0.09 1.19 -0.16 0.00 0.04 0.00 0.00 61.00 61.98 1wuu s PRO 91 Cb -0.00 -2.90 -0.03 0.00 0.04 0.00 0.00 34.50 31.61 1wuu s PRO 91 CO 0.06 0.36 0.48 1.28 0.04 0.00 0.00 177.00 179.22 1wuu n LEU 92 N 0.77 0.52 -4.92 -3.56 4.77 -1.26 -4.86 117.00 108.46 1wuu n LEU 92 Ca -0.00 0.54 -0.27 0.00 -0.03 0.00 0.00 56.01 56.25 1wuu n LEU 92 Cb 0.50 -1.20 0.05 0.00 -2.33 0.00 0.00 43.42 40.44 1wuu n LEU 92 CO 0.45 -3.26 0.61 -2.16 -1.33 0.00 0.00 177.39 171.70 1wuu s PRO 93 N -2.88 2.57 0.24 3.23 0.04 -1.26 -4.91 135.00 132.03 1wuu s PRO 93 Ca 0.64 -0.04 0.00 0.00 0.04 0.00 0.00 61.00 61.64 1wuu s PRO 93 Cb -0.32 -2.18 -0.05 0.00 0.04 0.00 0.00 34.50 31.99 1wuu s PRO 93 CO 0.60 -1.01 0.11 0.99 0.04 0.00 0.00 177.00 177.73 1wuu s THR 94 N -3.17 0.35 0.66 1.26 2.01 1.51 -4.94 115.64 113.33 1wuu s THR 94 Ca 0.57 -2.00 0.36 0.00 0.31 0.00 0.00 61.69 60.93 1wuu s THR 94 Cb -0.11 -2.58 0.36 0.00 0.01 0.00 0.00 72.50 70.19 1wuu s THR 94 CO 0.46 -0.01 2.11 0.00 -0.69 0.00 0.00 174.62 176.49 1wuu h ALA 95 N 2.48 1.24 0.00 7.40 0.00 -2.04 -2.84 119.26 125.50 1wuu h ALA 95 Ca -0.37 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1wuu h ALA 95 Cb 1.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1wuu h ALA 95 CO 0.58 -0.21 -0.13 -0.56 0.00 0.00 0.00 179.25 178.93 1wuu h GLN 96 N 0.00 0.00 -5.24 0.00 -0.00 -2.00 -3.46 115.11 104.41 1wuu h GLN 96 Ca 0.01 0.00 -0.62 0.00 -0.00 0.00 0.00 58.65 58.04 1wuu h GLN 96 Cb 0.40 0.00 -0.14 0.00 -0.00 0.00 0.00 27.48 27.75 1wuu h GLN 96 CO -0.00 0.00 -0.20 -0.98 -0.00 0.00 0.00 178.83 177.65 1wuu s ARG 97 N -1.35 4.06 -0.22 0.06 1.70 -1.07 -5.07 118.95 117.05 1wuu s ARG 97 Ca -0.04 0.11 -0.01 0.00 -0.47 0.00 0.00 55.73 55.33 1wuu s ARG 97 Cb 0.01 -3.63 0.02 0.00 -0.57 0.00 0.00 34.95 30.78 1wuu s ARG 97 CO 0.06 -0.24 -0.11 -1.12 -1.08 0.00 0.00 175.30 172.81 1wuu s SER 98 N 1.50 3.89 0.06 -2.89 0.01 -1.25 0.44 113.70 115.46 1wuu s SER 98 Ca 0.17 -0.77 -0.04 0.00 1.31 0.00 0.00 55.95 56.62 1wuu s SER 98 Cb -0.15 -1.60 -0.03 0.00 0.21 0.00 0.00 66.02 64.45 1wuu s SER 98 CO 0.09 -0.07 0.03 0.18 0.41 0.00 0.00 173.24 173.88 1wuu n LEU 99 N 4.65 -0.42 -4.12 2.44 4.77 -1.26 -4.99 117.00 118.07 1wuu n LEU 99 Ca -0.18 0.15 -0.25 0.00 -0.03 0.00 0.00 56.01 55.70 1wuu n LEU 99 Cb 0.48 -0.15 -0.16 0.00 -2.33 0.00 0.00 43.42 41.26 1wuu n LEU 99 CO 0.26 -0.67 -0.49 -0.70 -1.33 0.00 0.00 177.39 174.47 1wuu s GLU 100 N -0.17 1.58 -0.21 3.23 2.12 -1.26 -5.09 118.70 118.91 1wuu s GLU 100 Ca 0.10 -0.56 -0.28 0.00 0.36 0.00 0.00 54.97 54.59 1wuu s GLU 100 Cb -0.12 -1.41 -0.05 0.00 0.26 0.00 0.00 34.13 32.82 1wuu s GLU 100 CO 0.10 0.24 2.11 -1.25 -0.54 0.00 0.00 175.26 175.93 1wuu s PRO 101 N -0.01 3.30 0.00 4.30 0.04 -1.26 -4.87 135.00 136.49 1wuu s PRO 101 Ca -0.02 2.00 0.00 0.00 0.04 0.00 0.00 61.00 63.02 1wuu s PRO 101 Cb -0.10 -4.31 0.00 0.00 0.04 0.00 0.00 34.50 30.13 1wuu s PRO 101 CO 0.01 -1.91 0.00 0.41 0.04 0.00 0.00 177.00 175.55 1wuu n GLY 102 N 5.53 5.23 2.94 0.56 0.00 -1.26 -5.10 105.19 113.09 1wuu n GLY 102 Ca 0.27 -1.40 -0.20 0.00 0.00 0.00 0.00 46.02 44.69 1wuu n GLY 102 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wuu s THR 103 N 3.59 0.66 0.34 2.61 2.01 -1.26 -3.76 115.64 119.82 1wuu s THR 103 Ca 0.00 -0.24 -0.28 0.00 0.31 0.00 0.00 61.69 61.48 1wuu s THR 103 Cb 0.00 -0.63 -0.10 0.00 0.01 0.00 0.00 72.50 71.78 1wuu s THR 103 CO 0.00 0.23 1.25 -2.16 -0.69 0.00 0.00 174.62 173.25 1wuu s PRO 104 N 0.59 4.33 0.35 4.92 0.04 -1.26 -5.01 135.00 138.96 1wuu s PRO 104 Ca -0.09 2.08 0.05 0.00 0.04 0.00 0.00 61.00 63.08 1wuu s PRO 104 Cb -0.12 -3.01 0.70 0.00 0.04 0.00 0.00 34.50 32.11 1wuu s PRO 104 CO 0.01 -0.16 1.93 0.00 0.04 0.00 0.00 177.00 178.82 1wuu h ARG 105 N 3.29 0.79 -0.68 4.56 3.08 -1.90 -0.84 114.38 122.68 1wuu h ARG 105 Ca -0.49 -0.05 0.14 0.00 0.07 0.00 0.00 59.98 59.66 1wuu h ARG 105 Cb 1.23 -0.18 -0.12 0.00 0.08 0.00 0.00 29.97 30.98 1wuu h ARG 105 CO 0.65 0.52 -0.06 0.11 -1.07 0.00 0.00 179.97 180.12 1wuu h TRP 106 N 0.82 -0.17 0.00 3.04 5.08 -1.90 0.63 115.95 123.44 1wuu h TRP 106 Ca 0.35 0.05 0.00 0.00 1.08 0.00 0.00 58.89 60.37 1wuu h TRP 106 Cb 0.30 0.18 0.00 0.00 -3.00 0.00 0.00 29.16 26.64 1wuu h TRP 106 CO -0.00 -0.24 0.26 0.00 -1.28 0.00 0.00 178.44 177.18 1wuu h ALA 107 N 1.65 1.21 -0.36 0.11 0.00 -1.53 -2.10 119.26 118.25 1wuu h ALA 107 Ca 0.35 0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.29 1wuu h ALA 107 Cb 0.57 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1wuu h ALA 107 CO -0.63 -0.21 0.24 -0.91 0.00 0.00 0.00 179.25 177.74 1wuu h ASN 108 N 0.00 0.32 0.08 0.00 2.35 0.22 -1.71 115.58 116.83 1wuu h ASN 108 Ca 0.00 -0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.74 1wuu h ASN 108 Cb 0.51 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.81 1wuu h ASN 108 CO 0.00 0.23 -0.04 1.88 -1.65 0.00 0.00 177.43 177.85 1wuu h TYR 109 N 0.38 -0.09 0.16 1.19 -1.99 -1.51 -2.46 116.97 112.64 1wuu h TYR 109 Ca 0.15 -0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.87 1wuu h TYR 109 Cb 0.12 0.03 0.00 0.00 2.00 0.00 0.00 36.73 38.88 1wuu h TYR 109 CO -0.00 0.34 -0.08 0.28 -0.00 0.00 0.00 178.16 178.70 1wuu h VAL 110 N -0.56 0.86 -0.33 -2.88 2.07 -1.71 -2.46 116.25 111.24 1wuu h VAL 110 Ca -0.01 -0.07 0.07 0.00 0.82 0.00 0.00 66.70 67.51 1wuu h VAL 110 Cb 0.47 0.91 -0.08 0.00 -1.52 0.00 0.00 31.29 31.07 1wuu h VAL 110 CO 0.02 0.02 -0.26 0.11 0.02 0.00 0.00 177.57 177.47 1wuu h LYS 111 N -0.24 -0.22 -0.02 1.57 1.57 -1.40 0.52 116.57 118.35 1wuu h LYS 111 Ca -0.02 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1wuu h LYS 111 Cb 0.19 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 1wuu h LYS 111 CO 0.04 -0.15 -0.04 0.78 -0.57 0.00 0.00 179.45 179.51 1wuu h GLY 112 N -0.23 -1.71 0.19 3.86 0.00 -1.32 1.34 103.07 105.20 1wuu h GLY 112 Ca 0.16 0.75 0.15 0.00 0.00 0.00 0.00 47.33 48.40 1wuu h GLY 112 CO -0.46 -0.63 0.76 -2.08 0.00 0.00 0.00 176.54 174.12 1wuu h VAL 113 N -0.04 0.15 0.03 4.60 2.07 -1.00 0.48 116.25 122.55 1wuu h VAL 113 Ca 0.00 0.00 -0.11 0.00 0.82 0.00 0.00 66.70 67.42 1wuu h VAL 113 Cb 0.05 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 30.17 1wuu h VAL 113 CO -0.04 0.00 -0.54 0.40 0.02 0.00 0.00 177.57 177.41 1wuu h ILE 114 N 0.00 1.48 0.00 4.57 2.04 0.20 -2.04 117.51 123.75 1wuu h ILE 114 Ca 0.25 -2.34 -0.01 0.00 1.00 0.00 0.00 64.86 63.76 1wuu h ILE 114 Cb 1.76 3.03 -0.00 0.00 -0.74 0.00 0.00 36.82 40.88 1wuu h ILE 114 CO -0.00 0.57 -0.04 -0.61 0.00 0.00 0.00 178.15 178.06 1wuu h GLN 115 N -0.84 0.00 0.00 2.37 5.75 0.63 -3.14 115.11 119.87 1wuu h GLN 115 Ca -0.13 0.00 -0.23 0.00 -0.15 0.00 0.00 58.65 58.14 1wuu h GLN 115 Cb 1.23 0.00 -0.04 0.00 1.07 0.00 0.00 27.48 29.74 1wuu h GLN 115 CO -0.02 0.04 -1.96 0.66 -2.65 0.00 0.00 178.83 174.90 1wuu n TYR 116 N -3.73 0.00 -0.42 3.99 0.53 -0.27 -5.00 117.16 112.26 1wuu n TYR 116 Ca -0.03 0.00 -0.17 0.00 -1.02 0.00 0.00 57.90 56.69 1wuu n TYR 116 Cb 0.14 -0.67 -0.02 0.00 -1.03 0.00 0.00 39.34 37.76 1wuu n TYR 116 CO 0.00 0.00 0.00 0.98 -1.02 0.00 0.00 176.86 176.82 1wuu n TYR 117 N -2.47 0.17 0.40 -0.72 9.36 -0.77 -4.77 117.16 118.37 1wuu n TYR 117 Ca -0.21 0.30 -0.16 0.00 3.32 0.00 0.00 57.90 61.15 1wuu n TYR 117 Cb 0.89 -0.59 -0.08 0.00 -0.63 0.00 0.00 39.34 38.94 1wuu n TYR 117 CO 0.00 0.00 0.00 -1.00 0.22 0.00 0.00 176.86 176.08 1wuu h PRO 118 N 0.83 -1.00 0.00 2.98 0.13 -1.92 -3.47 132.00 129.56 1wuu h PRO 118 Ca -0.14 0.07 -0.06 0.00 -0.87 0.00 0.00 66.00 65.00 1wuu h PRO 118 Cb 0.40 0.23 0.03 0.00 0.13 0.00 0.00 31.00 31.79 1wuu h PRO 118 CO 0.18 -0.67 0.03 0.00 -0.23 0.00 0.00 178.00 177.32 1wuu n ALA 119 N -2.68 -0.40 -3.61 -0.56 0.00 -1.26 -5.11 120.51 106.89 1wuu n ALA 119 Ca -0.13 -0.24 -0.00 0.00 0.00 0.00 0.00 53.44 53.07 1wuu n ALA 119 Cb 0.41 -0.01 -0.01 0.00 0.00 0.00 0.00 19.45 19.83 1wuu n ALA 119 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wuu s ALA 120 N -3.32 -2.29 0.12 0.00 0.00 -1.26 -4.70 121.76 110.31 1wuu s ALA 120 Ca 0.10 1.49 -0.15 0.00 0.00 0.00 0.00 51.96 53.41 1wuu s ALA 120 Cb -0.01 -0.12 -0.07 0.00 0.00 0.00 0.00 23.12 22.93 1wuu s ALA 120 CO 0.08 -0.75 0.53 -1.25 0.00 0.00 0.00 175.76 174.37 1wuu s PRO 121 N -2.11 4.01 -0.24 0.00 0.04 -1.26 -4.98 135.00 130.46 1wuu s PRO 121 Ca 0.13 0.52 -0.15 0.00 0.04 0.00 0.00 61.00 61.53 1wuu s PRO 121 Cb 0.02 -3.02 -0.04 0.00 0.04 0.00 0.00 34.50 31.50 1wuu s PRO 121 CO -0.04 0.53 0.38 -1.17 0.04 0.00 0.00 177.00 176.75 1wuu s LEU 122 N -1.71 4.09 0.00 -3.56 2.96 -1.26 -4.75 118.68 114.45 1wuu s LEU 122 Ca 0.35 0.40 0.00 0.00 -0.22 0.00 0.00 54.13 54.65 1wuu s LEU 122 Cb -0.16 -2.46 0.00 0.00 0.50 0.00 0.00 46.19 44.07 1wuu s LEU 122 CO 0.19 -0.13 0.00 -0.81 -1.32 0.00 0.00 176.35 174.27 1wuu n PRO 123 N 4.92 0.04 -4.22 0.98 -0.05 -1.26 -5.07 135.00 130.34 1wuu n PRO 123 Ca -0.08 0.00 -0.26 0.00 -0.05 0.00 0.00 63.50 63.11 1wuu n PRO 123 Cb 0.51 0.00 -0.08 0.00 -0.05 0.00 0.00 33.50 33.88 1wuu n PRO 123 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 175.50 175.65 1wuu s GLY 124 N -1.77 1.70 0.11 0.55 0.00 -1.20 -4.91 107.32 101.80 1wuu s GLY 124 Ca 0.00 -1.41 -0.13 0.00 0.00 0.00 0.00 44.72 43.18 1wuu s GLY 124 CO 0.00 -1.43 0.30 -0.11 0.00 0.00 0.00 173.10 171.86 1wuu s PHE 125 N -1.83 -0.02 -0.21 1.90 -0.12 -0.59 0.40 117.98 117.52 1wuu s PHE 125 Ca 0.28 -0.35 -0.07 0.00 -0.05 0.00 0.00 56.93 56.74 1wuu s PHE 125 Cb -0.09 0.11 -0.04 0.00 -0.63 0.00 0.00 43.02 42.37 1wuu s PHE 125 CO 0.19 -0.64 0.07 -1.12 -0.05 0.00 0.00 175.22 173.67 1wuu s SER 126 N -2.84 5.46 -0.09 1.98 0.01 0.52 -1.63 113.70 117.12 1wuu s SER 126 Ca 0.04 -0.02 -0.06 0.00 1.31 0.00 0.00 55.95 57.22 1wuu s SER 126 Cb 0.03 -1.95 0.03 0.00 0.21 0.00 0.00 66.02 64.34 1wuu s SER 126 CO -0.11 0.10 0.21 0.00 0.41 0.00 0.00 173.24 173.85 1wuu s ALA 127 N 0.82 -0.50 -0.10 1.44 0.00 -0.86 -1.82 121.76 120.74 1wuu s ALA 127 Ca 0.04 0.74 0.02 0.00 0.00 0.00 0.00 51.96 52.75 1wuu s ALA 127 Cb -0.14 -0.46 -0.02 0.00 0.00 0.00 0.00 23.12 22.51 1wuu s ALA 127 CO 0.02 -0.14 -0.15 0.08 0.00 0.00 0.00 175.76 175.57 1wuu s VAL 128 N 0.65 2.88 -0.34 0.00 1.01 -0.42 -1.49 120.40 122.69 1wuu s VAL 128 Ca -0.04 -0.74 -0.00 0.00 0.00 0.00 0.00 61.98 61.19 1wuu s VAL 128 Cb -0.06 -2.17 0.08 0.00 0.00 0.00 0.00 36.38 34.23 1wuu s VAL 128 CO -0.04 0.55 0.07 -0.69 0.00 0.00 0.00 175.10 174.99 1wuu s VAL 129 N 0.06 2.82 0.05 2.92 1.01 0.33 -2.21 120.40 125.38 1wuu s VAL 129 Ca -0.06 -1.90 -0.01 0.00 0.00 0.00 0.00 61.98 60.02 1wuu s VAL 129 Cb -0.15 -2.85 -0.04 0.00 0.00 0.00 0.00 36.38 33.34 1wuu s VAL 129 CO 0.05 -0.43 0.20 -0.69 0.00 0.00 0.00 175.10 174.23 1wuu s VAL 130 N 1.11 5.39 -0.20 2.92 1.01 -0.52 -1.23 120.40 128.88 1wuu s VAL 130 Ca 0.03 -0.35 -0.25 0.00 0.00 0.00 0.00 61.98 61.42 1wuu s VAL 130 Cb -0.21 -3.61 0.06 0.00 0.00 0.00 0.00 36.38 32.63 1wuu s VAL 130 CO -0.04 0.18 0.66 -0.55 0.00 0.00 0.00 175.10 175.34 1wuu s SER 131 N -2.40 -0.67 0.00 3.32 0.15 -1.26 -1.17 113.70 111.67 1wuu s SER 131 Ca 0.33 1.17 0.16 0.00 0.70 0.00 0.00 55.95 58.31 1wuu s SER 131 Cb -0.13 1.15 0.30 0.00 -1.71 0.00 0.00 66.02 65.63 1wuu s SER 131 CO 0.26 -0.33 1.21 -1.54 1.20 0.00 0.00 173.24 174.05 1wuu n SER 132 N 2.26 2.91 -4.44 5.45 3.41 -1.26 -4.88 113.62 117.07 1wuu n SER 132 Ca -0.15 -1.85 -0.44 0.00 -0.26 0.00 0.00 58.87 56.17 1wuu n SER 132 Cb 0.56 -0.18 -0.09 0.00 -0.26 0.00 0.00 64.21 64.23 1wuu n SER 132 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1wuu s VAL 133 N -1.17 5.21 0.11 -3.33 1.01 -1.26 -4.85 120.40 116.12 1wuu s VAL 133 Ca 0.27 -0.76 -0.34 0.00 0.00 0.00 0.00 61.98 61.15 1wuu s VAL 133 Cb 0.16 -4.03 -0.18 0.00 0.00 0.00 0.00 36.38 32.33 1wuu s VAL 133 CO 0.22 -0.45 0.94 -0.81 0.00 0.00 0.00 175.10 175.00 1wuu n PRO 134 N 5.28 0.37 -2.54 2.72 -0.04 -1.26 -4.80 135.00 134.73 1wuu n PRO 134 Ca -0.11 0.13 -0.42 0.00 -0.04 0.00 0.00 63.50 63.06 1wuu n PRO 134 Cb 0.46 -1.49 -0.03 0.00 -0.04 0.00 0.00 33.50 32.40 1wuu n PRO 134 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1wuu s LEU 135 N 1.09 4.33 -0.98 1.53 1.43 -1.26 -3.16 118.68 121.66 1wuu s LEU 135 Ca 0.78 1.80 -0.01 0.00 -1.03 0.00 0.00 54.13 55.67 1wuu s LEU 135 Cb -1.04 -3.57 0.00 0.00 0.03 0.00 0.00 46.19 41.61 1wuu s LEU 135 CO 0.55 -0.44 0.13 0.61 0.23 0.00 0.00 176.35 177.42 1wuu n GLY 136 N 3.16 -0.09 1.35 -3.19 0.00 -1.26 -4.94 105.19 100.22 1wuu n GLY 136 Ca 0.09 -0.34 0.09 0.00 0.00 0.00 0.00 46.02 45.86 1wuu n GLY 136 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wuu n GLY 137 N -1.08 2.86 3.01 -0.02 0.00 -1.19 -4.44 105.19 104.34 1wuu n GLY 137 Ca -0.12 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.11 1wuu n GLY 137 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wuu n GLY 138 N 0.94 1.05 1.36 -0.02 0.00 -1.26 -2.47 105.19 104.79 1wuu n GLY 138 Ca 0.23 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.27 1wuu n GLY 138 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1wuu n LEU 139 N 0.00 4.77 -3.51 0.99 4.77 -1.26 -3.62 117.00 119.14 1wuu n LEU 139 Ca 0.00 -3.21 -0.20 0.00 -0.03 0.00 0.00 56.01 52.57 1wuu n LEU 139 Cb 0.00 -0.64 0.06 0.00 -2.33 0.00 0.00 43.42 40.51 1wuu n LEU 139 CO 0.00 0.81 -0.01 -1.20 -1.33 0.00 0.00 177.39 175.67 1wuu n SER 140 N -0.42 -3.68 0.30 -1.43 7.64 -1.26 -1.82 113.62 112.96 1wuu n SER 140 Ca 0.30 -0.78 0.17 0.00 1.01 0.00 0.00 58.87 59.57 1wuu n SER 140 Cb 1.10 -4.49 0.96 0.00 -1.01 0.00 0.00 64.21 60.77 1wuu n SER 140 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 1wuu h SER 141 N -1.65 0.00 0.74 6.43 4.64 -1.87 -1.82 113.55 120.03 1wuu h SER 141 Ca -0.62 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 60.67 1wuu h SER 141 Cb 1.34 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.44 1wuu h SER 141 CO 0.50 0.03 -0.36 0.77 -0.87 0.00 0.00 176.83 176.90 1wuu h SER 142 N 0.00 -0.84 -0.52 4.97 4.64 -1.94 -0.15 113.55 119.71 1wuu h SER 142 Ca -0.00 0.03 -0.00 0.00 -0.47 0.00 0.00 61.79 61.35 1wuu h SER 142 Cb 0.14 0.22 -0.03 0.00 -0.31 0.00 0.00 62.40 62.42 1wuu h SER 142 CO 0.00 -0.60 0.32 0.00 -0.87 0.00 0.00 176.83 175.68 1wuu h ALA 143 N -1.54 0.66 -0.60 5.18 0.00 -1.85 0.36 119.26 121.47 1wuu h ALA 143 Ca -0.10 -0.06 0.08 0.00 0.00 0.00 0.00 54.91 54.82 1wuu h ALA 143 Cb 0.76 -0.21 -0.06 0.00 0.00 0.00 0.00 17.79 18.28 1wuu h ALA 143 CO 0.17 0.14 0.27 1.03 0.00 0.00 0.00 179.25 180.86 1wuu h SER 144 N 0.70 0.34 0.13 0.00 0.87 -1.30 -0.04 113.55 114.24 1wuu h SER 144 Ca 0.19 0.06 -0.01 0.00 -1.23 0.00 0.00 61.79 60.80 1wuu h SER 144 Cb -0.02 0.01 0.00 0.00 -0.44 0.00 0.00 62.40 61.94 1wuu h SER 144 CO -0.04 0.21 -0.06 0.25 -0.53 0.00 0.00 176.83 176.66 1wuu h LEU 145 N 0.49 -0.15 0.11 2.23 5.85 -0.50 -1.86 115.31 121.49 1wuu h LEU 145 Ca 0.29 -0.15 0.02 0.00 0.84 0.00 0.00 57.88 58.88 1wuu h LEU 145 Cb 0.29 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.33 1wuu h LEU 145 CO -0.25 0.06 -0.23 -0.33 -0.34 0.00 0.00 178.44 177.35 1wuu h GLU 146 N -0.36 -0.40 -0.16 1.25 5.08 -0.27 -1.39 114.58 118.33 1wuu h GLU 146 Ca -0.02 0.03 0.03 0.00 -1.00 0.00 0.00 59.36 58.40 1wuu h GLU 146 Cb 0.29 0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.60 1wuu h GLU 146 CO 0.03 -0.27 -0.03 0.28 -1.00 0.00 0.00 179.01 178.02 1wuu h VAL 147 N -0.42 0.86 -0.99 3.13 2.07 -1.10 0.77 116.25 120.57 1wuu h VAL 147 Ca 0.03 -0.01 0.17 0.00 0.82 0.00 0.00 66.70 67.71 1wuu h VAL 147 Cb 0.44 0.84 -0.09 0.00 -1.52 0.00 0.00 31.29 30.96 1wuu h VAL 147 CO -0.13 0.00 0.61 0.00 0.02 0.00 0.00 177.57 178.08 1wuu h ALA 148 N 1.15 1.71 0.61 1.67 0.00 -1.17 0.55 119.26 123.77 1wuu h ALA 148 Ca 0.08 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 1wuu h ALA 148 Cb 0.11 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 17.79 1wuu h ALA 148 CO -0.15 -0.03 -0.29 1.15 0.00 0.00 0.00 179.25 179.93 1wuu h THR 149 N 0.78 0.00 -0.63 0.00 2.02 -0.07 -2.34 112.91 112.67 1wuu h THR 149 Ca 0.54 -0.34 0.13 0.00 0.77 0.00 0.00 66.41 67.50 1wuu h THR 149 Cb 0.82 0.00 -0.12 0.00 -1.74 0.00 0.00 68.15 67.11 1wuu h THR 149 CO -0.32 0.00 -0.18 0.22 0.37 0.00 0.00 175.52 175.62 1wuu h TYR 150 N -1.16 -0.39 0.00 3.16 3.20 -0.50 0.12 116.97 121.40 1wuu h TYR 150 Ca -0.08 0.06 -0.00 0.00 3.14 0.00 0.00 58.73 61.84 1wuu h TYR 150 Cb 0.62 0.27 -0.00 0.00 1.54 0.00 0.00 36.73 39.16 1wuu h TYR 150 CO 0.01 -0.29 -0.01 1.15 -1.64 0.00 0.00 178.16 177.38 1wuu h THR 151 N -0.02 0.71 -0.03 1.81 2.02 0.07 -0.62 112.91 116.85 1wuu h THR 151 Ca 0.30 -0.05 -0.06 0.00 0.77 0.00 0.00 66.41 67.37 1wuu h THR 151 Cb 0.48 1.03 0.00 0.00 -1.74 0.00 0.00 68.15 67.92 1wuu h THR 151 CO -0.66 0.01 -0.21 0.15 0.37 0.00 0.00 175.52 175.18 1wuu h PHE 152 N 0.00 0.28 -0.89 3.16 3.57 -0.24 -3.13 116.94 119.70 1wuu h PHE 152 Ca -0.00 -0.13 0.17 0.00 3.53 0.00 0.00 57.97 61.54 1wuu h PHE 152 Cb 0.03 -0.04 -0.07 0.00 2.79 0.00 0.00 35.95 38.65 1wuu h PHE 152 CO 0.00 0.86 0.58 -0.07 -2.23 0.00 0.00 178.31 177.44 1wuu h LEU 153 N -0.37 0.54 -1.81 0.59 3.38 -0.52 1.00 115.31 118.11 1wuu h LEU 153 Ca -0.02 0.04 0.05 0.00 0.09 0.00 0.00 57.88 58.05 1wuu h LEU 153 Cb 0.89 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.56 1wuu h LEU 153 CO 0.04 0.25 0.24 1.56 0.09 0.00 0.00 178.44 180.62 1wuu h GLN 154 N 0.56 0.23 -0.04 1.13 4.20 -1.08 1.49 115.11 121.60 1wuu h GLN 154 Ca 0.46 -0.01 -0.16 0.00 0.06 0.00 0.00 58.65 58.99 1wuu h GLN 154 Cb 0.92 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.63 1wuu h GLN 154 CO -0.20 0.15 -0.70 1.96 -0.67 0.00 0.00 178.83 179.38 1wuu h GLN 155 N 0.24 0.22 0.41 1.46 1.08 0.10 -2.76 115.11 115.87 1wuu h GLN 155 Ca 0.15 -0.18 -0.02 0.00 -1.45 0.00 0.00 58.65 57.15 1wuu h GLN 155 Cb 0.31 0.04 0.00 0.00 -0.05 0.00 0.00 27.48 27.78 1wuu h GLN 155 CO -0.03 0.83 -0.20 -0.07 -0.95 0.00 0.00 178.83 178.41 1wuu h LEU 156 N 0.15 -0.47 -6.96 1.46 3.38 0.91 -3.44 115.31 110.35 1wuu h LEU 156 Ca -0.02 0.02 -0.55 0.00 0.09 0.00 0.00 57.88 57.42 1wuu h LEU 156 Cb 1.25 0.12 -0.40 0.00 0.09 0.00 0.00 40.66 41.72 1wuu h LEU 156 CO 0.11 -0.17 -0.77 0.00 0.09 0.00 0.00 178.44 177.70 1wuu n PRO 158 N 5.09 2.32 -3.19 0.00 -0.02 -1.04 -4.42 135.00 133.74 1wuu n PRO 158 Ca -0.05 0.83 -0.20 0.00 -2.02 0.00 0.00 63.50 62.06 1wuu n PRO 158 Cb 0.42 -2.53 0.03 0.00 -0.02 0.00 0.00 33.50 31.40 1wuu n PRO 158 CO 0.00 0.00 0.00 0.16 1.98 0.00 0.00 175.50 177.64 1wuu s ASP 159 N 0.35 5.19 -0.05 2.55 1.47 -1.26 -4.76 116.67 120.16 1wuu s ASP 159 Ca 0.66 -0.77 -0.04 0.00 1.18 0.00 0.00 52.55 53.58 1wuu s ASP 159 Cb -0.58 -0.04 -0.01 0.00 -0.34 0.00 0.00 42.92 41.94 1wuu s ASP 159 CO 0.50 -1.08 -0.08 -1.54 0.68 0.00 0.00 175.17 173.65 1wuu n SER 160 N -2.00 0.65 -2.88 2.11 3.41 -1.26 -5.09 113.62 108.56 1wuu n SER 160 Ca 0.10 0.31 0.00 0.00 -0.26 0.00 0.00 58.87 59.02 1wuu n SER 160 Cb 0.61 -0.62 0.00 0.00 -0.26 0.00 0.00 64.21 63.94 1wuu n SER 160 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wuu n GLY 161 N 1.64 0.00 3.90 5.00 0.00 -1.26 -5.06 105.19 109.41 1wuu n GLY 161 Ca -0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.70 1wuu n GLY 161 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1wuu s THR 162 N -1.30 2.62 0.06 2.61 -1.32 -1.26 -5.02 115.64 112.04 1wuu s THR 162 Ca 0.00 0.15 -0.17 0.00 -1.21 0.00 0.00 61.69 60.46 1wuu s THR 162 Cb 0.00 -3.19 -0.14 0.00 -1.51 0.00 0.00 72.50 67.66 1wuu s THR 162 CO 0.00 -0.24 1.33 0.40 -2.21 0.00 0.00 174.62 173.89 1wuu h ILE 163 N -0.84 1.34 -1.01 5.08 2.04 -2.00 -3.07 117.51 119.05 1wuu h ILE 163 Ca -0.45 -1.56 0.16 0.00 1.00 0.00 0.00 64.86 64.00 1wuu h ILE 163 Cb 1.30 1.89 -0.10 0.00 -0.74 0.00 0.00 36.82 39.18 1wuu h ILE 163 CO 0.65 0.48 0.62 0.00 0.00 0.00 0.00 178.15 179.90 1wuu h ALA 164 N 0.59 1.60 -0.17 1.87 0.00 -1.99 0.20 119.26 121.36 1wuu h ALA 164 Ca 0.01 0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.01 1wuu h ALA 164 Cb 0.92 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.52 1wuu h ALA 164 CO 0.07 0.09 -0.10 0.00 0.00 0.00 0.00 179.25 179.32 1wuu h ALA 165 N 1.59 0.04 -0.37 0.00 0.00 -1.93 0.30 119.26 118.89 1wuu h ALA 165 Ca 0.54 0.07 0.08 0.00 0.00 0.00 0.00 54.91 55.60 1wuu h ALA 165 Cb 0.70 0.22 -0.08 0.00 0.00 0.00 0.00 17.79 18.62 1wuu h ALA 165 CO -0.32 -0.53 -0.21 0.00 0.00 0.00 0.00 179.25 178.18 1wuu h ARG 166 N -0.09 -0.15 -0.67 0.00 3.08 -0.95 0.61 114.38 116.21 1wuu h ARG 166 Ca 0.10 0.01 0.08 0.00 0.07 0.00 0.00 59.98 60.23 1wuu h ARG 166 Cb 0.23 0.03 -0.06 0.00 0.08 0.00 0.00 29.97 30.25 1wuu h ARG 166 CO -0.22 -0.10 0.34 0.00 -1.07 0.00 0.00 179.97 178.92 1wuu h ALA 167 N 1.05 0.91 -0.85 0.04 0.00 -0.45 -1.13 119.26 118.83 1wuu h ALA 167 Ca 0.18 0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.19 1wuu h ALA 167 Cb 0.44 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.10 1wuu h ALA 167 CO -0.46 -0.02 0.53 1.96 0.00 0.00 0.00 179.25 181.25 1wuu h GLN 168 N 0.61 0.93 0.34 0.00 4.20 0.37 -0.02 115.11 121.54 1wuu h GLN 168 Ca 0.32 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.96 1wuu h GLN 168 Cb 0.28 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 27.84 1wuu h GLN 168 CO -0.23 0.62 -0.24 0.28 -0.67 0.00 0.00 178.83 178.58 1wuu h VAL 169 N 0.96 0.00 -1.02 -0.54 2.07 0.11 -0.80 116.25 117.02 1wuu h VAL 169 Ca 0.37 0.00 0.26 0.00 0.82 0.00 0.00 66.70 68.15 1wuu h VAL 169 Cb 0.17 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 29.82 1wuu h VAL 169 CO -0.17 0.00 0.62 0.00 0.02 0.00 0.00 177.57 178.04 1wuu h GLN 171 N 0.50 0.28 -0.03 0.00 4.15 -0.47 -1.53 115.11 118.02 1wuu h GLN 171 Ca 0.64 -0.03 0.01 0.00 0.77 0.00 0.00 58.65 60.04 1wuu h GLN 171 Cb 1.37 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 29.00 1wuu h GLN 171 CO -0.44 0.27 -0.04 0.37 -1.93 0.00 0.00 178.83 177.06 1wuu h GLN 172 N 0.21 -0.05 -0.98 1.69 4.15 0.37 0.08 115.11 120.59 1wuu h GLN 172 Ca 0.07 0.00 0.22 0.00 0.77 0.00 0.00 58.65 59.71 1wuu h GLN 172 Cb 0.07 0.01 -0.09 0.00 0.21 0.00 0.00 27.48 27.69 1wuu h GLN 172 CO -0.01 -0.03 0.63 0.00 -1.93 0.00 0.00 178.83 177.48 1wuu h ALA 173 N 0.97 2.07 -0.18 3.38 0.00 -0.86 0.97 119.26 125.60 1wuu h ALA 173 Ca 0.02 0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.88 1wuu h ALA 173 Cb 0.09 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 1wuu h ALA 173 CO -0.06 -0.42 -0.29 1.49 0.00 0.00 0.00 179.25 179.97 1wuu h GLU 174 N 0.50 0.51 0.90 0.00 4.81 -0.23 0.28 114.58 121.36 1wuu h GLU 174 Ca 0.54 -0.31 -0.04 0.00 -0.13 0.00 0.00 59.36 59.41 1wuu h GLU 174 Cb 1.20 0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.62 1wuu h GLU 174 CO -0.27 0.92 -0.49 0.45 -0.73 0.00 0.00 179.01 178.88 1wuu h HIS 175 N 0.16 -1.30 -0.07 0.92 3.86 0.11 -1.21 115.15 117.63 1wuu h HIS 175 Ca 0.01 -0.02 -0.19 0.00 -1.16 0.00 0.00 60.37 59.01 1wuu h HIS 175 Cb 0.88 0.45 0.01 0.00 1.06 0.00 0.00 27.41 29.81 1wuu h HIS 175 CO 0.09 -0.76 -0.72 0.66 0.86 0.00 0.00 177.93 178.06 1wuu h SER 176 N -1.28 0.75 0.08 2.45 4.64 0.75 -2.94 113.55 117.99 1wuu h SER 176 Ca -0.12 -0.69 -0.33 0.00 -0.47 0.00 0.00 61.79 60.18 1wuu h SER 176 Cb 1.01 -0.22 -0.03 0.00 -0.31 0.00 0.00 62.40 62.85 1wuu h SER 176 CO 0.16 1.33 -1.83 0.49 -0.87 0.00 0.00 176.83 176.11 1wuu n PHE 177 N -4.07 1.12 1.12 4.77 3.01 0.98 -4.32 117.46 120.06 1wuu n PHE 177 Ca -0.09 0.30 0.12 0.00 1.01 0.00 0.00 57.45 58.79 1wuu n PHE 177 Cb 0.72 -1.14 0.27 0.00 -0.01 0.00 0.00 39.48 39.32 1wuu n PHE 177 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1wuu n ALA 178 N -3.16 3.40 -2.03 4.37 0.00 -0.80 -4.79 120.51 117.49 1wuu n ALA 178 Ca -0.33 -0.42 -0.02 0.00 0.00 0.00 0.00 53.44 52.67 1wuu n ALA 178 Cb 0.94 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 19.32 1wuu n ALA 178 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wuu n GLY 179 N 1.41 -2.01 2.96 0.00 0.00 -0.52 -4.99 105.19 102.05 1wuu n GLY 179 Ca 0.09 0.28 -0.06 0.00 0.00 0.00 0.00 46.02 46.33 1wuu n GLY 179 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wuu s PRO 181 N -1.24 0.83 0.00 1.61 0.04 -1.26 -4.99 135.00 129.99 1wuu s PRO 181 Ca 0.06 -0.68 0.00 0.00 0.04 0.00 0.00 61.00 60.42 1wuu s PRO 181 Cb -0.02 -0.23 0.00 0.00 0.04 0.00 0.00 34.50 34.29 1wuu s PRO 181 CO 0.32 -1.23 0.00 0.00 0.04 0.00 0.00 177.00 176.13 1wuu n GLY 183 N 5.00 4.63 2.29 0.00 0.00 -1.26 -4.85 105.19 111.00 1wuu n GLY 183 Ca 0.00 -2.18 -0.27 0.00 0.00 0.00 0.00 46.02 43.58 1wuu n GLY 183 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1wuu n ILE 184 N -0.05 3.77 0.00 -0.61 -0.00 -1.26 -4.81 119.36 116.39 1wuu n ILE 184 Ca 0.00 -2.65 0.00 0.00 -0.00 0.00 0.00 62.75 60.10 1wuu n ILE 184 Cb 0.00 -2.03 0.00 0.00 -0.00 0.00 0.00 39.64 37.61 1wuu n ILE 184 CO 0.00 0.00 0.00 0.47 -0.00 0.00 0.00 176.55 177.02 1wuu n ASP 186 N 2.13 0.00 -0.23 4.38 8.00 -1.26 -3.25 116.55 126.33 1wuu n ASP 186 Ca 0.56 0.00 -0.06 0.00 0.71 0.00 0.00 54.79 55.99 1wuu n ASP 186 Cb 0.55 0.00 0.04 0.00 -0.02 0.00 0.00 41.12 41.69 1wuu n ASP 186 CO 0.00 0.00 0.00 1.56 -0.39 0.00 0.00 177.20 178.37 1wuu h GLN 187 N 0.00 0.86 0.27 -1.24 7.50 -1.90 -1.63 115.11 118.97 1wuu h GLN 187 Ca 0.00 -0.08 -0.01 0.00 0.50 0.00 0.00 58.65 59.06 1wuu h GLN 187 Cb 0.00 -0.18 0.00 0.00 0.05 0.00 0.00 27.48 27.35 1wuu h GLN 187 CO 0.00 0.62 -0.13 0.35 -1.50 0.00 0.00 178.83 178.17 1wuu h PHE 188 N 0.86 -0.34 0.00 2.96 3.57 -1.92 0.20 116.94 122.28 1wuu h PHE 188 Ca 0.23 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.67 1wuu h PHE 188 Cb -0.02 0.11 -0.01 0.00 2.79 0.00 0.00 35.95 38.83 1wuu h PHE 188 CO -0.02 -0.19 -0.22 0.97 -2.23 0.00 0.00 178.31 176.63 1wuu h ILE 189 N -0.39 0.57 -0.52 1.41 6.09 -1.84 -1.49 117.51 121.34 1wuu h ILE 189 Ca -0.04 -1.07 -0.10 0.00 -1.37 0.00 0.00 64.86 62.28 1wuu h ILE 189 Cb 0.30 1.72 -0.02 0.00 0.47 0.00 0.00 36.82 39.29 1wuu h ILE 189 CO 0.06 0.22 -0.07 -1.28 -3.07 0.00 0.00 178.15 174.01 1wuu h SER 190 N 0.00 0.93 -0.04 2.19 0.87 -0.49 -2.29 113.55 114.71 1wuu h SER 190 Ca -0.00 -0.28 0.00 0.00 -1.23 0.00 0.00 61.79 60.28 1wuu h SER 190 Cb 0.71 -0.25 0.00 0.00 -0.44 0.00 0.00 62.40 62.42 1wuu h SER 190 CO 0.03 1.02 0.00 0.18 -0.53 0.00 0.00 176.83 177.53 1wuu n LEU 191 N -4.16 1.24 0.00 2.23 4.77 0.63 -1.43 117.00 120.26 1wuu n LEU 191 Ca 0.02 -0.62 0.00 0.00 -0.03 0.00 0.00 56.01 55.38 1wuu n LEU 191 Cb 0.37 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 40.99 1wuu n LEU 191 CO 0.44 0.26 0.00 0.61 -1.33 0.00 0.00 177.39 177.37 1wuu n GLY 193 N 0.10 1.55 3.51 -0.72 0.00 -0.86 -3.82 105.19 104.94 1wuu n GLY 193 Ca 0.02 -1.89 -0.14 0.00 0.00 0.00 0.00 46.02 44.01 1wuu n GLY 193 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1wuu s GLN 194 N -2.68 0.98 0.95 1.61 -2.07 -1.02 -3.32 119.66 114.12 1wuu s GLN 194 Ca 0.00 -0.01 -0.11 0.00 -1.82 0.00 0.00 55.36 53.42 1wuu s GLN 194 Cb 0.00 0.46 0.14 0.00 -1.09 0.00 0.00 33.01 32.52 1wuu s GLN 194 CO 0.00 -0.36 0.98 1.17 -1.32 0.00 0.00 175.29 175.76 1wuu n LYS 195 N 0.42 -0.65 -2.34 9.60 4.81 -1.26 -2.58 118.16 126.16 1wuu n LYS 195 Ca -0.15 -0.13 -0.01 0.00 -0.87 0.00 0.00 58.31 57.14 1wuu n LYS 195 Cb 0.60 -2.25 -0.00 0.00 0.02 0.00 0.00 35.03 33.39 1wuu n LYS 195 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1wuu n GLY 196 N 0.60 -0.01 3.28 3.14 0.00 -1.13 -4.82 105.19 106.25 1wuu n GLY 196 Ca 0.10 0.01 -0.13 0.00 0.00 0.00 0.00 46.02 45.99 1wuu n GLY 196 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1wuu s HIS 197 N -2.59 -0.37 0.14 1.61 3.76 -1.07 -2.51 115.29 114.26 1wuu s HIS 197 Ca 0.01 0.86 0.04 0.00 -0.15 0.00 0.00 55.06 55.82 1wuu s HIS 197 Cb -0.00 0.14 -0.04 0.00 1.11 0.00 0.00 32.58 33.79 1wuu s HIS 197 CO 0.03 -0.26 0.13 0.00 -0.85 0.00 0.00 174.74 173.79 1wuu s ALA 198 N -0.19 3.59 -0.20 -1.40 0.00 0.57 -4.56 121.76 119.56 1wuu s ALA 198 Ca -0.03 -1.14 -0.05 0.00 0.00 0.00 0.00 51.96 50.74 1wuu s ALA 198 Cb -0.03 -1.41 -0.02 0.00 0.00 0.00 0.00 23.12 21.65 1wuu s ALA 198 CO 0.02 0.58 -0.00 -0.51 0.00 0.00 0.00 175.76 175.85 1wuu s LEU 199 N -2.88 3.22 -0.50 0.00 1.43 -0.67 -0.02 118.68 119.26 1wuu s LEU 199 Ca 0.31 -0.22 -0.16 0.00 -1.03 0.00 0.00 54.13 53.02 1wuu s LEU 199 Cb -0.11 -1.82 0.09 0.00 0.03 0.00 0.00 46.19 44.38 1wuu s LEU 199 CO 0.23 0.05 0.46 -0.22 0.23 0.00 0.00 176.35 177.10 1wuu s LEU 200 N 1.09 5.71 -0.05 1.79 2.96 0.17 -2.99 118.68 127.36 1wuu s LEU 200 Ca 0.02 -1.42 -0.03 0.00 -0.22 0.00 0.00 54.13 52.48 1wuu s LEU 200 Cb -0.14 -2.22 -0.04 0.00 0.50 0.00 0.00 46.19 44.29 1wuu s LEU 200 CO 0.01 -0.75 0.09 -0.63 -1.32 0.00 0.00 176.35 173.75 1wuu s ILE 201 N 1.77 4.90 -0.53 6.68 1.01 -0.83 -0.55 121.20 133.65 1wuu s ILE 201 Ca 0.05 -0.19 -0.16 0.00 0.00 0.00 0.00 60.65 60.35 1wuu s ILE 201 Cb -0.25 -3.18 0.12 0.00 0.01 0.00 0.00 42.46 39.16 1wuu s ILE 201 CO 0.06 0.47 0.48 -0.62 0.00 0.00 0.00 174.94 175.34 1wuu s ASP 202 N -1.39 6.18 0.60 3.58 -1.08 0.27 -2.84 116.67 121.99 1wuu s ASP 202 Ca 0.19 -1.73 0.39 0.00 -0.52 0.00 0.00 52.55 50.89 1wuu s ASP 202 Cb -0.12 -2.21 1.93 0.00 -1.46 0.00 0.00 42.92 41.06 1wuu s ASP 202 CO 0.09 -0.83 2.18 0.00 0.52 0.00 0.00 175.17 177.13 1wuu h ARG 204 N 0.00 0.00 0.05 0.00 2.43 -1.78 -3.40 114.38 111.69 1wuu h ARG 204 Ca 0.00 0.00 -0.28 0.00 -0.81 0.00 0.00 59.98 58.89 1wuu h ARG 204 Cb 0.22 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.74 1wuu h ARG 204 CO 0.00 0.68 -1.49 0.66 -1.51 0.00 0.00 179.97 178.31 1wuu h SER 205 N -1.00 0.17 -0.04 -3.80 4.64 -1.86 -3.48 113.55 108.18 1wuu h SER 205 Ca -0.09 -0.26 -0.02 0.00 -0.47 0.00 0.00 61.79 60.95 1wuu h SER 205 Cb 0.81 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.84 1wuu h SER 205 CO -0.05 1.22 -0.02 0.18 -0.87 0.00 0.00 176.83 177.29 1wuu n LEU 206 N -3.30 -0.06 -4.83 5.97 4.32 1.35 -5.01 117.00 115.44 1wuu n LEU 206 Ca -0.14 0.02 -0.33 0.00 -0.02 0.00 0.00 56.01 55.55 1wuu n LEU 206 Cb 1.02 -0.62 -0.05 0.00 -1.62 0.00 0.00 43.42 42.15 1wuu n LEU 206 CO 0.47 -0.06 0.66 -1.61 -1.22 0.00 0.00 177.39 175.64 1wuu s GLU 207 N -1.82 4.11 -0.03 3.23 2.02 -1.20 -4.73 118.70 120.28 1wuu s GLU 207 Ca 0.00 1.05 -0.02 0.00 0.02 0.00 0.00 54.97 56.02 1wuu s GLU 207 Cb 0.00 -2.16 0.01 0.00 0.10 0.00 0.00 34.13 32.08 1wuu s GLU 207 CO 0.00 -0.14 0.07 0.99 0.02 0.00 0.00 175.26 176.20 1wuu s THR 208 N -2.36 -0.01 0.05 3.63 2.01 -1.26 0.96 115.64 118.66 1wuu s THR 208 Ca 0.61 0.02 0.04 0.00 0.31 0.00 0.00 61.69 62.67 1wuu s THR 208 Cb -0.09 -0.11 -0.02 0.00 0.01 0.00 0.00 72.50 72.28 1wuu s THR 208 CO 0.21 0.01 -0.12 -0.55 -0.69 0.00 0.00 174.62 173.47 1wuu s SER 209 N 0.16 1.43 -0.26 3.53 0.15 0.29 -4.97 113.70 114.03 1wuu s SER 209 Ca -0.01 -0.52 -0.08 0.00 0.70 0.00 0.00 55.95 56.04 1wuu s SER 209 Cb -0.02 -0.05 -0.03 0.00 -1.71 0.00 0.00 66.02 64.21 1wuu s SER 209 CO -0.00 -0.06 0.10 -0.76 1.20 0.00 0.00 173.24 173.71 1wuu s LEU 210 N -1.42 3.60 -0.24 3.45 1.43 -1.26 0.45 118.68 124.68 1wuu s LEU 210 Ca -0.02 -0.20 -0.07 0.00 -1.03 0.00 0.00 54.13 52.80 1wuu s LEU 210 Cb -0.09 -1.96 -0.03 0.00 0.03 0.00 0.00 46.19 44.14 1wuu s LEU 210 CO 0.01 -0.05 0.06 -0.69 0.23 0.00 0.00 176.35 175.91 1wuu s VAL 211 N 1.64 4.26 0.66 -1.59 1.01 0.97 -4.91 120.40 122.45 1wuu s VAL 211 Ca 0.06 -0.19 -0.16 0.00 0.00 0.00 0.00 61.98 61.70 1wuu s VAL 211 Cb -0.15 -2.99 0.00 0.00 0.00 0.00 0.00 36.38 33.24 1wuu s VAL 211 CO 0.05 0.35 1.15 -2.16 0.00 0.00 0.00 175.10 174.49 1wuu s PRO 212 N 1.56 2.67 -0.42 2.72 0.04 -1.26 0.21 135.00 140.52 1wuu s PRO 212 Ca 0.06 1.56 0.07 0.00 0.04 0.00 0.00 61.00 62.73 1wuu s PRO 212 Cb -0.15 -1.92 0.24 0.00 0.04 0.00 0.00 34.50 32.71 1wuu s PRO 212 CO 0.03 -1.38 0.59 1.28 0.04 0.00 0.00 177.00 177.56 1wuu n LEU 213 N -2.33 -0.68 -2.68 -3.56 4.32 -1.04 -4.69 117.00 106.33 1wuu n LEU 213 Ca 0.12 -4.30 -0.19 0.00 -0.02 0.00 0.00 56.01 51.62 1wuu n LEU 213 Cb 0.51 0.68 0.01 0.00 -1.62 0.00 0.00 43.42 43.00 1wuu n LEU 213 CO 0.47 2.03 0.01 -1.54 -1.22 0.00 0.00 177.39 177.14 1wuu n SER 214 N 1.65 2.91 -4.38 -1.43 3.41 -1.26 -4.48 113.62 110.04 1wuu n SER 214 Ca 0.19 -3.22 -0.34 0.00 -0.26 0.00 0.00 58.87 55.25 1wuu n SER 214 Cb 0.55 -0.52 -0.14 0.00 -0.26 0.00 0.00 64.21 63.84 1wuu n SER 214 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1wuu s ASP 215 N -3.24 4.23 0.01 4.04 -1.08 -1.26 -4.95 116.67 114.42 1wuu s ASP 215 Ca 0.39 -0.30 0.24 0.00 -0.52 0.00 0.00 52.55 52.36 1wuu s ASP 215 Cb 0.41 -1.67 1.03 0.00 -1.46 0.00 0.00 42.92 41.23 1wuu s ASP 215 CO -0.08 0.12 1.78 -2.65 0.52 0.00 0.00 175.17 174.87 1wuu n PRO 216 N 3.81 0.02 0.00 4.34 -0.01 -1.26 -2.92 135.00 138.98 1wuu n PRO 216 Ca -0.18 0.09 0.06 0.00 -0.01 0.00 0.00 63.50 63.47 1wuu n PRO 216 Cb 0.52 -1.52 -0.06 0.00 -0.01 0.00 0.00 33.50 32.43 1wuu n PRO 216 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 175.50 177.12 1wuu n LYS 217 N -1.55 2.41 -4.00 -0.52 5.02 -1.26 -4.74 118.16 113.52 1wuu n LYS 217 Ca 0.06 -0.13 -0.31 0.00 -2.02 0.00 0.00 58.31 55.90 1wuu n LYS 217 Cb 0.29 -1.15 -0.06 0.00 -0.02 0.00 0.00 35.03 34.09 1wuu n LYS 217 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1wuu s LEU 218 N -2.51 4.04 -0.02 -0.35 2.96 -1.15 -2.14 118.68 119.52 1wuu s LEU 218 Ca 0.06 0.14 -0.01 0.00 -0.22 0.00 0.00 54.13 54.10 1wuu s LEU 218 Cb 0.10 -2.61 0.02 0.00 0.50 0.00 0.00 46.19 44.20 1wuu s LEU 218 CO 0.52 0.20 0.04 0.00 -1.32 0.00 0.00 176.35 175.78 1wuu s ALA 219 N -1.39 -0.01 -0.40 5.97 0.00 0.33 -4.45 121.76 121.80 1wuu s ALA 219 Ca 0.30 0.24 -0.12 0.00 0.00 0.00 0.00 51.96 52.38 1wuu s ALA 219 Cb -0.12 -0.18 0.04 0.00 0.00 0.00 0.00 23.12 22.86 1wuu s ALA 219 CO 0.22 -0.07 0.26 0.08 0.00 0.00 0.00 175.76 176.25 1wuu s VAL 220 N 0.63 4.75 -0.24 0.00 1.01 -1.25 -0.73 120.40 124.57 1wuu s VAL 220 Ca -0.05 -0.95 -0.06 0.00 0.00 0.00 0.00 61.98 60.92 1wuu s VAL 220 Cb -0.07 -3.72 -0.02 0.00 0.00 0.00 0.00 36.38 32.57 1wuu s VAL 220 CO -0.02 -0.35 0.02 -0.22 0.00 0.00 0.00 175.10 174.53 1wuu s LEU 221 N 1.57 3.18 -0.17 3.92 2.96 0.90 -0.26 118.68 130.79 1wuu s LEU 221 Ca 0.03 -0.30 -0.05 0.00 -0.22 0.00 0.00 54.13 53.59 1wuu s LEU 221 Cb -0.21 -1.84 -0.03 0.00 0.50 0.00 0.00 46.19 44.62 1wuu s LEU 221 CO 0.07 -0.03 0.00 -0.63 -1.32 0.00 0.00 176.35 174.44 1wuu s ILE 222 N 1.55 4.25 -0.20 6.68 1.01 0.01 0.60 121.20 135.10 1wuu s ILE 222 Ca 0.06 -0.23 0.01 0.00 0.00 0.00 0.00 60.65 60.50 1wuu s ILE 222 Cb -0.15 -2.89 0.03 0.00 0.01 0.00 0.00 42.46 39.46 1wuu s ILE 222 CO 0.00 0.48 -0.18 -0.89 0.00 0.00 0.00 174.94 174.35 1wuu s THR 223 N 0.41 2.13 -0.17 2.92 2.01 -0.57 -0.15 115.64 122.22 1wuu s THR 223 Ca -0.01 -1.07 -0.21 0.00 0.31 0.00 0.00 61.69 60.70 1wuu s THR 223 Cb -0.13 -1.97 -0.03 0.00 0.01 0.00 0.00 72.50 70.38 1wuu s THR 223 CO 0.02 0.41 0.64 0.21 -0.69 0.00 0.00 174.62 175.21 1wuu s ASN 224 N 1.26 6.74 0.50 3.53 3.84 0.79 -1.83 114.94 129.76 1wuu s ASN 224 Ca 0.02 0.90 0.29 0.00 0.21 0.00 0.00 52.86 54.28 1wuu s ASN 224 Cb -0.15 -2.36 1.16 0.00 -0.55 0.00 0.00 41.25 39.35 1wuu s ASN 224 CO -0.11 -0.24 1.91 0.77 -2.79 0.00 0.00 177.10 176.64 1wuu h SER 225 N 7.32 0.00 -0.69 -4.21 4.64 -0.07 0.12 113.55 120.67 1wuu h SER 225 Ca -0.33 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 60.69 1wuu h SER 225 Cb 1.15 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 63.13 1wuu h SER 225 CO 0.77 0.09 -0.27 0.59 -0.87 0.00 0.00 176.83 177.15 1wuu n ASN 226 N -3.23 -5.24 -4.68 4.97 3.02 -1.24 -4.49 115.26 104.37 1wuu n ASN 226 Ca 0.00 0.36 -0.26 0.00 -0.03 0.00 0.00 54.58 54.65 1wuu n ASN 226 Cb 0.36 -4.01 -0.07 0.00 -0.61 0.00 0.00 39.78 35.45 1wuu n ASN 226 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1wuu s VAL 227 N -2.37 3.77 -0.49 2.41 1.01 -1.26 -5.01 120.40 118.46 1wuu s VAL 227 Ca 0.00 -1.44 0.06 0.00 0.00 0.00 0.00 61.98 60.61 1wuu s VAL 227 Cb 0.00 -2.91 0.20 0.00 0.00 0.00 0.00 36.38 33.67 1wuu s VAL 227 CO 0.00 -0.14 0.69 -1.14 0.00 0.00 0.00 175.10 174.51 1wuu n ARG 228 N -0.22 0.53 0.00 2.72 0.63 -1.26 -1.49 116.66 117.57 1wuu n ARG 228 Ca -0.09 -2.22 0.00 0.00 -0.92 0.00 0.00 57.85 54.62 1wuu n ARG 228 Cb 0.55 -1.49 0.00 0.00 0.45 0.00 0.00 32.46 31.97 1wuu n ARG 228 CO 0.00 0.00 0.00 0.72 -2.51 0.00 0.00 177.63 175.84 1wuu n HIS 229 N 2.62 0.00 -1.55 -0.14 8.25 -0.81 -5.03 115.22 118.57 1wuu n HIS 229 Ca 0.18 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.64 1wuu n HIS 229 Cb 0.56 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.67 1wuu n HIS 229 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1wuu n ALA 232 N -3.00 0.00 1.02 -1.41 0.00 -1.26 -4.94 120.51 110.92 1wuu n ALA 232 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.55 1wuu n ALA 232 Cb 0.00 -0.32 0.03 0.00 0.00 0.00 0.00 19.45 19.15 1wuu n ALA 232 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1wuu n SER 233 N 0.61 1.93 0.04 0.00 3.41 -1.26 -2.67 113.62 115.68 1wuu n SER 233 Ca 0.00 -1.46 0.13 0.00 -0.26 0.00 0.00 58.87 57.28 1wuu n SER 233 Cb 0.32 0.45 0.40 0.00 -0.26 0.00 0.00 64.21 65.13 1wuu n SER 233 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1wuu n SER 234 N -0.09 0.44 -0.06 4.04 7.64 -1.26 -3.85 113.62 120.48 1wuu n SER 234 Ca 0.09 0.27 -0.20 0.00 1.01 0.00 0.00 58.87 60.04 1wuu n SER 234 Cb 0.46 -0.27 -0.13 0.00 -1.01 0.00 0.00 64.21 63.26 1wuu n SER 234 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1wuu h GLU 235 N 0.00 0.09 -0.01 1.43 4.39 -1.96 -3.39 114.58 115.13 1wuu h GLU 235 Ca 0.00 -0.16 0.00 0.00 0.34 0.00 0.00 59.36 59.55 1wuu h GLU 235 Cb 0.60 0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 29.31 1wuu h GLU 235 CO 0.00 1.07 -0.01 -0.92 -1.16 0.00 0.00 179.01 177.99 1wuu h TYR 236 N -0.72 -0.03 -1.34 4.33 3.20 -1.66 0.28 116.97 121.04 1wuu h TYR 236 Ca -0.28 0.00 0.39 0.00 3.14 0.00 0.00 58.73 61.98 1wuu h TYR 236 Cb 1.44 0.02 -0.05 0.00 1.54 0.00 0.00 36.73 39.67 1wuu h TYR 236 CO 0.14 -0.01 1.00 -1.00 -1.64 0.00 0.00 178.16 176.64 1wuu h PRO 237 N -0.01 0.00 0.19 1.82 0.13 -1.82 0.33 132.00 132.64 1wuu h PRO 237 Ca 0.00 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.12 1wuu h PRO 237 Cb 0.01 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.14 1wuu h PRO 237 CO -0.01 0.00 -0.09 0.28 -0.23 0.00 0.00 178.00 177.95 1wuu h VAL 238 N 0.00 0.91 -0.04 1.56 2.07 -0.69 0.97 116.25 121.03 1wuu h VAL 238 Ca 0.63 -0.64 0.03 0.00 0.82 0.00 0.00 66.70 67.54 1wuu h VAL 238 Cb 2.62 1.28 -0.03 0.00 -1.52 0.00 0.00 31.29 33.64 1wuu h VAL 238 CO -0.01 0.14 -0.15 0.03 0.02 0.00 0.00 177.57 177.61 1wuu h ARG 239 N -0.58 -0.22 -0.93 1.57 2.47 0.12 0.47 114.38 117.28 1wuu h ARG 239 Ca -0.03 0.01 0.14 0.00 -1.26 0.00 0.00 59.98 58.85 1wuu h ARG 239 Cb 0.43 0.05 -0.15 0.00 -1.65 0.00 0.00 29.97 28.65 1wuu h ARG 239 CO 0.04 -0.15 -0.39 -0.09 0.56 0.00 0.00 179.97 179.95 1wuu h ARG 240 N -0.23 -0.03 -0.36 0.04 2.43 -1.06 0.74 114.38 115.91 1wuu h ARG 240 Ca 0.06 0.00 0.03 0.00 -0.81 0.00 0.00 59.98 59.26 1wuu h ARG 240 Cb 0.31 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.83 1wuu h ARG 240 CO -0.17 -0.02 0.17 0.00 -1.51 0.00 0.00 179.97 178.44 1wuu h ARG 241 N -0.03 0.34 -0.57 0.20 3.08 0.29 -1.60 114.38 116.09 1wuu h ARG 241 Ca 0.32 -0.02 0.11 0.00 0.07 0.00 0.00 59.98 60.46 1wuu h ARG 241 Cb 0.58 -0.08 -0.11 0.00 0.08 0.00 0.00 29.97 30.44 1wuu h ARG 241 CO -0.94 0.22 -0.22 1.96 -1.07 0.00 0.00 179.97 179.93 1wuu h GLN 242 N 0.35 -0.07 0.00 0.04 4.20 0.52 0.33 115.11 120.47 1wuu h GLN 242 Ca 0.15 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.87 1wuu h GLN 242 Cb 0.08 0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.88 1wuu h GLN 242 CO -0.12 -0.05 0.00 0.00 -0.67 0.00 0.00 178.83 177.99 1wuu n GLU 244 N -1.67 -0.01 -0.02 0.00 1.02 -0.62 0.40 120.64 119.73 1wuu n GLU 244 Ca 0.00 0.27 -0.13 0.00 -0.02 0.00 0.00 57.16 57.29 1wuu n GLU 244 Cb 0.00 -0.42 -0.08 0.00 -0.02 0.00 0.00 31.44 30.91 1wuu n GLU 244 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 1wuu h GLU 245 N 0.00 0.12 0.18 3.49 4.81 -0.94 -2.13 114.58 120.11 1wuu h GLU 245 Ca 0.10 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.28 1wuu h GLU 245 Cb 0.20 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.57 1wuu h GLU 245 CO -0.17 0.48 -0.21 0.28 -0.73 0.00 0.00 179.01 178.66 1wuu h VAL 246 N -0.24 0.00 -1.03 0.32 2.07 0.83 -0.37 116.25 117.83 1wuu h VAL 246 Ca 0.01 0.00 0.40 0.00 0.82 0.00 0.00 66.70 67.94 1wuu h VAL 246 Cb 0.44 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 30.05 1wuu h VAL 246 CO 0.01 0.00 0.59 0.00 0.02 0.00 0.00 177.57 178.19 1wuu n ALA 247 N -2.50 1.04 0.41 1.67 0.00 -0.43 0.94 120.51 121.64 1wuu n ALA 247 Ca -0.05 0.90 -0.20 0.00 0.00 0.00 0.00 53.44 54.10 1wuu n ALA 247 Cb 0.18 -0.95 -0.10 0.00 0.00 0.00 0.00 19.45 18.58 1wuu n ALA 247 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1wuu h ARG 248 N 0.00 -1.13 -0.42 0.00 2.43 -0.46 0.66 114.38 115.46 1wuu h ARG 248 Ca 0.79 0.08 0.08 0.00 -0.81 0.00 0.00 59.98 60.12 1wuu h ARG 248 Cb 2.24 0.26 -0.09 0.00 -0.42 0.00 0.00 29.97 31.95 1wuu h ARG 248 CO -0.63 -0.75 -0.37 0.00 -1.51 0.00 0.00 179.97 176.71 1wuu h ALA 249 N -1.09 -0.26 0.00 2.80 0.00 0.21 -0.58 119.26 120.34 1wuu h ALA 249 Ca -0.10 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1wuu h ALA 249 Cb 0.95 0.79 0.00 0.00 0.00 0.00 0.00 17.79 19.53 1wuu h ALA 249 CO 0.08 -0.78 0.00 1.28 0.00 0.00 0.00 179.25 179.83 1wuu n LEU 250 N -5.42 0.12 -4.42 0.00 4.77 -0.76 -4.74 117.00 106.55 1wuu n LEU 250 Ca 0.01 -0.06 -0.39 0.00 -0.03 0.00 0.00 56.01 55.53 1wuu n LEU 250 Cb 0.35 -0.06 -0.07 0.00 -2.33 0.00 0.00 43.42 41.31 1wuu n LEU 250 CO 0.05 0.03 -0.17 0.61 -1.33 0.00 0.00 177.39 176.58 1wuu n GLY 251 N 0.40 -0.37 3.20 -0.72 0.00 -0.22 -4.92 105.19 102.55 1wuu n GLY 251 Ca 0.00 0.10 -0.25 0.00 0.00 0.00 0.00 46.02 45.87 1wuu n GLY 251 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wuu s LYS 252 N -7.17 1.40 0.21 1.61 3.01 0.21 -5.04 119.74 113.97 1wuu s LYS 252 Ca 0.68 -0.76 -0.09 0.00 -1.01 0.00 0.00 55.97 54.79 1wuu s LYS 252 Cb -0.39 -1.41 0.22 0.00 -1.01 0.00 0.00 37.83 35.24 1wuu s LYS 252 CO 1.00 0.37 1.85 1.49 0.51 0.00 0.00 175.35 180.57 1wuu h GLU 253 N 5.34 0.85 -4.76 1.68 4.81 -1.92 -3.35 114.58 117.23 1wuu h GLU 253 Ca -0.39 -0.05 -0.40 0.00 -0.13 0.00 0.00 59.36 58.39 1wuu h GLU 253 Cb 1.15 -0.19 -0.13 0.00 0.63 0.00 0.00 28.75 30.21 1wuu h GLU 253 CO 0.46 0.56 -0.50 -1.54 -0.73 0.00 0.00 179.01 177.27 1wuu s SER 254 N -5.75 1.23 0.00 1.04 1.04 -1.26 -4.93 113.70 105.07 1wuu s SER 254 Ca -0.13 -1.64 0.25 0.00 0.48 0.00 0.00 55.95 54.91 1wuu s SER 254 Cb 0.16 0.52 1.06 0.00 0.10 0.00 0.00 66.02 67.86 1wuu s SER 254 CO 0.77 -1.02 1.74 0.18 0.98 0.00 0.00 173.24 175.89 1wuu n LEU 255 N -0.53 1.24 0.08 2.42 4.77 -1.26 -2.93 117.00 120.79 1wuu n LEU 255 Ca 0.06 -0.46 -0.06 0.00 -0.03 0.00 0.00 56.01 55.52 1wuu n LEU 255 Cb 0.63 -0.03 -0.06 0.00 -2.33 0.00 0.00 43.42 41.62 1wuu n LEU 255 CO 0.32 0.23 0.21 -0.09 -1.33 0.00 0.00 177.39 176.73 1wuu h ARG 256 N 1.82 0.01 -0.01 3.23 2.43 -1.87 -2.81 114.38 117.18 1wuu h ARG 256 Ca 0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1wuu h ARG 256 Cb 0.39 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.94 1wuu h ARG 256 CO 0.00 0.93 0.00 0.39 -1.51 0.00 0.00 179.97 179.78 1wuu n GLU 257 N -3.44 1.30 -3.84 0.20 4.71 -1.15 -4.85 120.64 113.57 1wuu n GLU 257 Ca -0.00 -0.44 -0.33 0.00 -0.01 0.00 0.00 57.16 56.37 1wuu n GLU 257 Cb 0.88 -1.48 -0.05 0.00 -1.01 0.00 0.00 31.44 29.78 1wuu n GLU 257 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 1wuu s VAL 258 N -1.99 5.37 -0.08 2.62 1.01 -1.06 -5.05 120.40 121.22 1wuu s VAL 258 Ca 0.42 -0.08 0.03 0.00 0.00 0.00 0.00 61.98 62.35 1wuu s VAL 258 Cb 0.21 -3.57 0.01 0.00 0.00 0.00 0.00 36.38 33.03 1wuu s VAL 258 CO 0.35 0.28 -0.17 -1.10 0.00 0.00 0.00 175.10 174.46 1wuu s GLN 259 N -2.04 2.24 0.04 2.72 -0.21 -1.26 -4.92 119.66 116.23 1wuu s GLN 259 Ca 0.30 -0.61 -0.02 0.00 0.02 0.00 0.00 55.36 55.05 1wuu s GLN 259 Cb -0.13 -1.77 0.05 0.00 1.00 0.00 0.00 33.01 32.17 1wuu s GLN 259 CO 0.20 0.09 0.24 1.28 -2.12 0.00 0.00 175.29 174.98 1wuu n LEU 260 N 3.68 -0.08 -0.10 2.90 4.77 -1.26 0.34 117.00 127.25 1wuu n LEU 260 Ca -0.21 0.26 -0.03 0.00 -0.03 0.00 0.00 56.01 56.00 1wuu n LEU 260 Cb 0.52 -0.07 0.19 0.00 -2.33 0.00 0.00 43.42 41.73 1wuu n LEU 260 CO 0.26 -0.24 0.92 -0.33 -1.33 0.00 0.00 177.39 176.67 1wuu h GLU 261 N 0.00 0.77 0.00 3.23 3.07 -2.02 -3.03 114.58 116.60 1wuu h GLU 261 Ca 0.06 -0.18 -0.16 0.00 -0.50 0.00 0.00 59.36 58.58 1wuu h GLU 261 Cb 0.10 -0.10 -0.02 0.00 -0.84 0.00 0.00 28.75 27.89 1wuu h GLU 261 CO -0.15 0.75 -0.76 1.49 -1.40 0.00 0.00 179.01 178.94 1wuu h GLU 262 N 0.73 0.00 -0.14 2.33 4.81 0.55 -3.26 114.58 119.60 1wuu h GLU 262 Ca 0.15 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.29 1wuu h GLU 262 Cb 0.38 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.75 1wuu h GLU 262 CO 0.01 0.76 -0.34 1.25 -0.73 0.00 0.00 179.01 179.96 1wuu h LEU 263 N 0.00 0.28 0.00 1.64 5.85 -1.18 -1.55 115.31 120.36 1wuu h LEU 263 Ca -0.01 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.61 1wuu h LEU 263 Cb 1.51 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.46 1wuu h LEU 263 CO 0.10 0.61 0.00 -0.62 -0.34 0.00 0.00 178.44 178.19 1wuu n GLU 264 N -4.08 0.10 0.14 1.25 1.02 -1.23 -2.33 120.64 115.51 1wuu n GLU 264 Ca -0.01 0.23 -0.07 0.00 -0.02 0.00 0.00 57.16 57.30 1wuu n GLU 264 Cb 0.43 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.32 1wuu n GLU 264 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1wuu h ALA 265 N 2.45 -0.47 0.00 0.62 0.00 -1.46 -3.03 119.26 117.37 1wuu h ALA 265 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1wuu h ALA 265 Cb 0.13 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1wuu h ALA 265 CO 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 179.25 178.81 1wuu n ALA 266 N -2.65 2.14 -0.34 0.00 0.00 -0.99 -3.86 120.51 114.82 1wuu n ALA 266 Ca -0.05 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.45 1wuu n ALA 266 Cb 0.17 -1.00 0.14 0.00 0.00 0.00 0.00 19.45 18.76 1wuu n ALA 266 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1wuu n ARG 267 N -0.13 -0.08 -0.04 0.00 0.63 -1.01 0.40 116.66 116.43 1wuu n ARG 267 Ca 0.00 1.46 0.11 0.00 -0.92 0.00 0.00 57.85 58.50 1wuu n ARG 267 Cb 0.11 -2.20 0.50 0.00 0.45 0.00 0.00 32.46 31.32 1wuu n ARG 267 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1wuu n ASP 268 N -5.52 0.93 -0.65 6.15 10.43 -1.25 -3.27 116.55 123.36 1wuu n ASP 268 Ca 0.16 -1.52 0.08 0.00 2.57 0.00 0.00 54.79 56.08 1wuu n ASP 268 Cb 0.49 -0.05 0.07 0.00 1.84 0.00 0.00 41.12 43.48 1wuu n ASP 268 CO 0.00 0.00 0.00 0.18 -1.07 0.00 0.00 177.20 176.31 1wuu n LEU 269 N -0.19 2.36 -3.69 0.64 4.77 1.30 -4.97 117.00 117.23 1wuu n LEU 269 Ca 0.16 -1.02 -0.10 0.00 -0.03 0.00 0.00 56.01 55.02 1wuu n LEU 269 Cb 0.22 -0.01 -0.11 0.00 -2.33 0.00 0.00 43.42 41.20 1wuu n LEU 269 CO 0.13 0.43 0.03 -0.69 -1.33 0.00 0.00 177.39 175.96 1wuu s VAL 270 N -1.33 -0.19 0.47 4.08 1.01 0.36 -4.85 120.40 119.94 1wuu s VAL 270 Ca 0.19 0.12 -0.09 0.00 0.00 0.00 0.00 61.98 62.20 1wuu s VAL 270 Cb 0.13 -0.61 -0.08 0.00 0.00 0.00 0.00 36.38 35.83 1wuu s VAL 270 CO 0.20 0.05 -0.34 -1.54 0.00 0.00 0.00 175.10 173.47 1wuu n SER 271 N 4.59 -2.91 0.00 3.32 3.41 -1.26 -4.34 113.62 116.42 1wuu n SER 271 Ca -0.19 0.15 0.00 0.00 -0.26 0.00 0.00 58.87 58.57 1wuu n SER 271 Cb 0.53 -0.41 0.00 0.00 -0.26 0.00 0.00 64.21 64.07 1wuu n SER 271 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1wuu n LYS 272 N 1.20 0.00 -0.25 4.33 5.02 -1.26 -0.63 118.16 126.57 1wuu n LYS 272 Ca 0.00 0.42 -0.06 0.00 -2.02 0.00 0.00 58.31 56.65 1wuu n LYS 272 Cb 0.28 -1.42 -0.05 0.00 -0.02 0.00 0.00 35.03 33.82 1wuu n LYS 272 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1wuu n GLU 273 N -1.77 -0.25 0.09 1.97 2.13 -1.26 0.41 120.64 121.96 1wuu n GLU 273 Ca 0.00 0.89 0.15 0.00 0.66 0.00 0.00 57.16 58.86 1wuu n GLU 273 Cb 0.00 -1.30 0.66 0.00 0.27 0.00 0.00 31.44 31.07 1wuu n GLU 273 CO 0.00 0.00 0.00 0.78 -0.41 0.00 0.00 177.13 177.50 1wuu h GLY 274 N 0.00 0.03 0.88 8.31 0.00 -1.85 -0.91 103.07 109.53 1wuu h GLY 274 Ca 0.10 -0.01 -0.00 0.00 0.00 0.00 0.00 47.33 47.42 1wuu h GLY 274 CO -0.55 0.01 -0.03 -2.75 0.00 0.00 0.00 176.54 173.21 1wuu h PHE 275 N 0.02 -0.07 -0.24 5.60 3.57 1.05 -1.56 116.94 125.30 1wuu h PHE 275 Ca 0.17 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.71 1wuu h PHE 275 Cb 0.63 0.02 -0.04 0.00 2.79 0.00 0.00 35.95 39.36 1wuu h PHE 275 CO -0.00 0.07 -0.02 0.00 -2.23 0.00 0.00 178.31 176.13 1wuu h ARG 276 N -0.20 0.05 0.28 1.11 3.08 -0.67 -0.17 114.38 117.85 1wuu h ARG 276 Ca -0.01 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1wuu h ARG 276 Cb 0.18 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.20 1wuu h ARG 276 CO 0.01 0.03 -0.26 0.00 -1.07 0.00 0.00 179.97 178.69 1wuu h ARG 277 N 0.05 -0.54 -0.37 0.04 2.47 -1.23 -1.82 114.38 112.98 1wuu h ARG 277 Ca 0.12 0.04 0.08 0.00 -1.26 0.00 0.00 59.98 58.95 1wuu h ARG 277 Cb 0.16 0.12 -0.07 0.00 -1.65 0.00 0.00 29.97 28.53 1wuu h ARG 277 CO -0.21 -0.36 -0.09 0.00 0.56 0.00 0.00 179.97 179.86 1wuu h ALA 278 N 0.07 0.25 -0.68 0.04 0.00 -1.12 -1.95 119.26 115.87 1wuu h ALA 278 Ca -0.01 0.15 0.13 0.00 0.00 0.00 0.00 54.91 55.18 1wuu h ALA 278 Cb 0.51 0.29 -0.09 0.00 0.00 0.00 0.00 17.79 18.50 1wuu h ALA 278 CO -0.05 -0.46 0.20 -0.09 0.00 0.00 0.00 179.25 178.85 1wuu h ARG 279 N -0.00 0.32 -0.03 0.00 2.43 -0.74 0.21 114.38 116.57 1wuu h ARG 279 Ca 0.18 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.33 1wuu h ARG 279 Cb 0.27 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 29.75 1wuu h ARG 279 CO -0.39 0.21 0.02 1.25 -1.51 0.00 0.00 179.97 179.55 1wuu h HIS 280 N 0.32 0.04 -0.09 2.20 2.76 -0.59 -1.60 115.15 118.20 1wuu h HIS 280 Ca 0.37 -0.00 0.03 0.00 -2.20 0.00 0.00 60.37 58.56 1wuu h HIS 280 Cb 0.57 -0.01 -0.03 0.00 1.55 0.00 0.00 27.41 29.49 1wuu h HIS 280 CO -0.22 0.10 -0.08 0.28 -1.30 0.00 0.00 177.93 176.71 1wuu h VAL 281 N -0.03 0.78 0.37 5.26 2.07 -0.77 0.86 116.25 124.79 1wuu h VAL 281 Ca 0.01 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.51 1wuu h VAL 281 Cb 0.07 0.78 0.00 0.00 -1.52 0.00 0.00 31.29 30.62 1wuu h VAL 281 CO -0.00 0.00 -0.19 0.58 0.02 0.00 0.00 177.57 177.98 1wuu h VAL 282 N -0.09 0.61 -0.54 2.57 2.07 -0.61 -0.59 116.25 119.66 1wuu h VAL 282 Ca 0.06 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.53 1wuu h VAL 282 Cb 0.18 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 30.53 1wuu h VAL 282 CO -0.14 0.00 0.11 1.23 0.02 0.00 0.00 177.57 178.79 1wuu h GLY 283 N -0.52 0.91 1.42 2.17 0.00 -1.16 -2.72 103.07 103.17 1wuu h GLY 283 Ca -0.05 -0.54 -0.03 0.00 0.00 0.00 0.00 47.33 46.71 1wuu h GLY 283 CO 0.07 0.50 0.18 -2.09 0.00 0.00 0.00 176.54 175.20 1wuu h GLU 284 N 0.81 0.75 -0.56 4.80 4.57 0.11 0.68 114.58 125.73 1wuu h GLU 284 Ca 0.17 -0.12 -0.04 0.00 -1.18 0.00 0.00 59.36 58.20 1wuu h GLU 284 Cb 0.32 -0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 28.76 1wuu h GLU 284 CO 0.00 0.63 0.22 0.82 -1.18 0.00 0.00 179.01 179.50 1wuu h ILE 285 N 0.74 1.23 -0.15 2.32 2.04 -0.79 -1.59 117.51 121.30 1wuu h ILE 285 Ca 0.17 -0.72 -0.06 0.00 1.00 0.00 0.00 64.86 65.25 1wuu h ILE 285 Cb 0.18 0.64 -0.00 0.00 -0.74 0.00 0.00 36.82 36.90 1wuu h ILE 285 CO -0.01 0.28 -0.16 -0.09 0.00 0.00 0.00 178.15 178.17 1wuu h ARG 286 N 0.78 0.38 -1.07 2.37 9.65 -1.38 -2.39 114.38 122.71 1wuu h ARG 286 Ca 0.19 -0.20 0.29 0.00 -1.10 0.00 0.00 59.98 59.16 1wuu h ARG 286 Cb 0.22 0.01 -0.06 0.00 -1.39 0.00 0.00 29.97 28.74 1wuu h ARG 286 CO -0.01 0.76 0.74 0.00 2.80 0.00 0.00 179.97 184.25 1wuu h ARG 287 N 0.01 0.16 -0.06 0.20 3.08 -0.79 -0.08 114.38 116.91 1wuu h ARG 287 Ca 0.02 -0.01 -0.15 0.00 0.07 0.00 0.00 59.98 59.92 1wuu h ARG 287 Cb 0.69 -0.04 0.01 0.00 0.08 0.00 0.00 29.97 30.71 1wuu h ARG 287 CO 0.04 0.10 -0.54 1.15 -1.07 0.00 0.00 179.97 179.65 1wuu h THR 288 N 0.16 1.39 -0.18 2.04 2.02 -0.82 -1.34 112.91 116.18 1wuu h THR 288 Ca 0.55 -1.93 -0.03 0.00 0.77 0.00 0.00 66.41 65.77 1wuu h THR 288 Cb 1.84 2.37 -0.01 0.00 -1.74 0.00 0.00 68.15 70.61 1wuu h THR 288 CO -0.12 0.57 -0.02 0.00 0.37 0.00 0.00 175.52 176.32 1wuu h ALA 289 N 0.41 1.64 0.26 6.16 0.00 -0.72 -2.61 119.26 124.39 1wuu h ALA 289 Ca -0.05 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 1wuu h ALA 289 Cb 1.21 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1wuu h ALA 289 CO 0.11 0.27 -0.12 1.96 0.00 0.00 0.00 179.25 181.46 1wuu h GLN 290 N 0.25 -0.33 0.00 0.00 4.20 -1.00 -3.11 115.11 115.12 1wuu h GLN 290 Ca 0.06 0.02 -0.04 0.00 0.06 0.00 0.00 58.65 58.75 1wuu h GLN 290 Cb 0.21 0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.06 1wuu h GLN 290 CO 0.01 -0.00 -0.18 0.00 -0.67 0.00 0.00 178.83 177.98 1wuu h ALA 291 N -0.10 1.66 -0.22 3.87 0.00 -1.13 0.12 119.26 123.46 1wuu h ALA 291 Ca -0.04 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.65 1wuu h ALA 291 Cb 0.48 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1wuu h ALA 291 CO 0.06 0.23 -0.08 0.00 0.00 0.00 0.00 179.25 179.46 1wuu h ALA 292 N 1.82 0.31 0.11 0.00 0.00 -1.53 -0.34 119.26 119.62 1wuu h ALA 292 Ca -0.00 -0.28 0.01 0.00 0.00 0.00 0.00 54.91 54.65 1wuu h ALA 292 Cb 0.33 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 1wuu h ALA 292 CO 0.02 0.12 -0.20 0.00 0.00 0.00 0.00 179.25 179.20 1wuu h ALA 293 N 0.73 -0.34 -1.00 0.00 0.00 -1.39 0.50 119.26 117.77 1wuu h ALA 293 Ca 0.05 -0.03 0.19 0.00 0.00 0.00 0.00 54.91 55.12 1wuu h ALA 293 Cb 0.55 0.31 -0.10 0.00 0.00 0.00 0.00 17.79 18.56 1wuu h ALA 293 CO 0.03 -0.73 0.61 0.00 0.00 0.00 0.00 179.25 179.16 1wuu h ALA 294 N 0.43 1.72 0.18 0.00 0.00 -0.64 -0.93 119.26 120.01 1wuu h ALA 294 Ca 0.03 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1wuu h ALA 294 Cb 0.40 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1wuu h ALA 294 CO -0.11 -0.07 -0.08 1.25 0.00 0.00 0.00 179.25 180.23 1wuu h LEU 295 N 0.75 -0.20 -0.88 0.00 5.85 -0.02 1.18 115.31 121.99 1wuu h LEU 295 Ca 0.56 -0.33 0.17 0.00 0.84 0.00 0.00 57.88 59.12 1wuu h LEU 295 Cb 0.90 0.05 -0.10 0.00 0.37 0.00 0.00 40.66 41.87 1wuu h LEU 295 CO -0.35 0.30 0.44 0.03 -0.34 0.00 0.00 178.44 178.53 1wuu h ARG 296 N -0.79 0.55 0.00 1.25 3.08 0.23 0.48 114.38 119.19 1wuu h ARG 296 Ca -0.02 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 59.97 1wuu h ARG 296 Cb 0.52 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 30.44 1wuu h ARG 296 CO 0.04 0.37 -0.12 -0.09 -1.07 0.00 0.00 179.97 179.10 1wuu h ARG 297 N 0.57 0.00 0.00 0.04 2.43 -1.17 -3.47 114.38 112.78 1wuu h ARG 297 Ca 0.50 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.67 1wuu h ARG 297 Cb 0.81 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.36 1wuu h ARG 297 CO -0.41 0.12 0.00 0.41 -1.51 0.00 0.00 179.97 178.57 1wuu n GLY 298 N 0.10 0.70 3.00 2.80 0.00 0.17 -4.99 105.19 106.98 1wuu n GLY 298 Ca 0.00 -0.37 -0.43 0.00 0.00 0.00 0.00 46.02 45.22 1wuu n GLY 298 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1wuu n ASP 299 N 0.68 5.03 0.26 1.61 4.64 0.39 -4.72 116.55 124.44 1wuu n ASP 299 Ca 0.00 -3.06 0.09 0.00 -1.38 0.00 0.00 54.79 50.44 1wuu n ASP 299 Cb 0.00 -1.52 0.67 0.00 -1.04 0.00 0.00 41.12 39.24 1wuu n ASP 299 CO 0.00 0.00 0.00 1.88 -0.82 0.00 0.00 177.20 178.26 1wuu h TYR 300 N 6.10 0.00 0.45 -0.67 0.99 -1.92 0.22 116.97 122.15 1wuu h TYR 300 Ca 0.39 0.00 -0.02 0.00 2.00 0.00 0.00 58.73 61.10 1wuu h TYR 300 Cb 0.69 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.42 1wuu h TYR 300 CO 1.24 0.00 -0.22 0.00 -0.00 0.00 0.00 178.16 179.18 1wuu h ARG 301 N 0.00 -0.59 -0.38 4.88 3.08 -1.91 0.56 114.38 120.02 1wuu h ARG 301 Ca 0.00 0.04 0.11 0.00 0.07 0.00 0.00 59.98 60.20 1wuu h ARG 301 Cb 0.02 0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.19 1wuu h ARG 301 CO -0.00 -0.39 0.50 0.00 -1.07 0.00 0.00 179.97 179.01 1wuu h ALA 302 N -1.44 2.04 0.05 0.04 0.00 -1.82 0.25 119.26 118.38 1wuu h ALA 302 Ca -0.06 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 1wuu h ALA 302 Cb 0.47 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1wuu h ALA 302 CO 0.10 -0.70 -0.44 0.35 0.00 0.00 0.00 179.25 178.57 1wuu h PHE 303 N 0.00 0.18 -0.70 0.00 3.57 -0.30 -3.07 116.94 116.63 1wuu h PHE 303 Ca 0.18 -0.13 0.20 0.00 3.53 0.00 0.00 57.97 61.75 1wuu h PHE 303 Cb 1.19 -0.01 -0.03 0.00 2.79 0.00 0.00 35.95 39.89 1wuu h PHE 303 CO 0.00 1.17 0.50 0.78 -2.23 0.00 0.00 178.31 178.53 1wuu h GLY 304 N -0.76 0.00 0.76 2.40 0.00 0.21 -2.09 103.07 103.60 1wuu h GLY 304 Ca -0.09 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.13 1wuu h GLY 304 CO 0.03 0.00 -0.37 3.21 0.00 0.00 0.00 176.54 179.41 1wuu h ARG 305 N 0.00 0.41 -1.01 4.80 3.08 -1.28 -2.96 114.38 117.43 1wuu h ARG 305 Ca 0.33 -0.32 0.00 0.00 0.07 0.00 0.00 59.98 60.06 1wuu h ARG 305 Cb 1.34 0.06 0.00 0.00 0.08 0.00 0.00 29.97 31.45 1wuu h ARG 305 CO -0.00 0.95 0.00 1.28 -1.07 0.00 0.00 179.97 181.13 1wuu n LEU 306 N -4.36 0.00 0.00 3.04 4.77 -0.79 -0.77 117.00 118.89 1wuu n LEU 306 Ca -0.08 -0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.90 1wuu n LEU 306 Cb 0.52 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 1wuu n LEU 306 CO 0.43 0.00 0.00 0.52 -1.33 0.00 0.00 177.39 177.01 1wuu n VAL 308 N 0.75 0.00 -0.07 4.08 0.31 -1.12 0.71 118.33 122.99 1wuu n VAL 308 Ca 0.00 0.00 -0.08 0.00 -0.01 0.00 0.00 64.34 64.25 1wuu n VAL 308 Cb 0.00 0.00 -0.02 0.00 -0.91 0.00 0.00 33.84 32.91 1wuu n VAL 308 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 1wuu h GLU 309 N 0.00 -0.28 -0.55 5.55 5.08 -1.25 -0.46 114.58 122.66 1wuu h GLU 309 Ca 0.00 0.02 0.10 0.00 -1.00 0.00 0.00 59.36 58.48 1wuu h GLU 309 Cb 0.00 0.06 -0.11 0.00 0.50 0.00 0.00 28.75 29.21 1wuu h GLU 309 CO 0.00 -0.19 -0.35 1.03 -1.00 0.00 0.00 179.01 178.51 1wuu h SER 310 N -0.29 -1.19 -0.44 1.42 0.87 0.04 -0.91 113.55 113.05 1wuu h SER 310 Ca 0.15 0.22 0.05 0.00 -1.23 0.00 0.00 61.79 60.97 1wuu h SER 310 Cb 0.53 0.58 -0.07 0.00 -0.44 0.00 0.00 62.40 62.99 1wuu h SER 310 CO -0.46 -0.31 -0.43 -0.74 -0.53 0.00 0.00 176.83 174.35 1wuu h HIS 311 N -0.19 -1.34 -0.82 2.24 -0.00 -1.36 -1.68 115.15 112.01 1wuu h HIS 311 Ca 0.21 0.07 0.18 0.00 -0.00 0.00 0.00 60.37 60.84 1wuu h HIS 311 Cb 0.55 0.64 -0.11 0.00 -0.00 0.00 0.00 27.41 28.49 1wuu h HIS 311 CO -0.63 -0.34 0.30 0.00 -0.00 0.00 0.00 177.93 177.26 1wuu h ARG 312 N -0.21 0.36 -0.39 5.26 3.08 -0.36 -0.25 114.38 121.87 1wuu h ARG 312 Ca 0.07 -0.02 0.04 0.00 0.07 0.00 0.00 59.98 60.14 1wuu h ARG 312 Cb 0.41 -0.08 -0.04 0.00 0.08 0.00 0.00 29.97 30.34 1wuu h ARG 312 CO -0.53 0.24 0.17 1.03 -1.07 0.00 0.00 179.97 179.81 1wuu h SER 313 N 0.37 0.22 0.34 7.04 0.87 -0.34 0.20 113.55 122.25 1wuu h SER 313 Ca 0.48 0.03 -0.02 0.00 -1.23 0.00 0.00 61.79 61.05 1wuu h SER 313 Cb 0.85 -0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.80 1wuu h SER 313 CO -0.50 0.16 -0.11 -0.07 -0.53 0.00 0.00 176.83 175.79 1wuu h LEU 314 N 0.35 0.00 0.00 2.23 3.38 -0.35 0.28 115.31 121.20 1wuu h LEU 314 Ca 0.17 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.07 1wuu h LEU 314 Cb 0.12 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1wuu h LEU 314 CO -0.15 0.11 -0.57 -0.09 0.09 0.00 0.00 178.44 177.82 1wuu h ARG 315 N 0.00 0.00 0.00 1.13 2.43 -0.34 -0.82 114.38 116.78 1wuu h ARG 315 Ca -0.00 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 1wuu h ARG 315 Cb 0.31 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.85 1wuu h ARG 315 CO 0.01 0.51 -0.16 -0.44 -1.51 0.00 0.00 179.97 178.38 1wuu h ASP 316 N -1.00 0.00 0.19 -3.80 3.32 -0.58 -3.17 116.42 111.38 1wuu h ASP 316 Ca -0.12 -0.51 -0.33 0.00 0.02 0.00 0.00 57.03 56.09 1wuu h ASP 316 Cb 0.77 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.33 1wuu h ASP 316 CO -0.07 0.85 -1.60 0.44 -1.72 0.00 0.00 179.24 177.14 1wuu h ASP 317 N -1.00 0.64 0.86 6.45 3.32 -0.67 -3.37 116.42 122.65 1wuu h ASP 317 Ca -0.03 -0.93 -0.18 0.00 0.02 0.00 0.00 57.03 55.91 1wuu h ASP 317 Cb 0.63 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.94 1wuu h ASP 317 CO -0.02 1.73 -1.23 0.22 -1.72 0.00 0.00 179.24 178.22 1wuu h TYR 318 N 0.04 0.00 -5.65 4.55 3.20 -1.29 -3.28 116.97 114.54 1wuu h TYR 318 Ca -0.31 0.00 -0.31 0.00 3.14 0.00 0.00 58.73 61.25 1wuu h TYR 318 Cb 2.05 0.00 0.17 0.00 1.54 0.00 0.00 36.73 40.48 1wuu h TYR 318 CO 0.12 0.67 -0.82 0.39 -1.64 0.00 0.00 178.16 176.88 1wuu n GLU 319 N -3.03 -4.53 0.00 1.82 1.02 -0.96 -4.95 120.64 110.00 1wuu n GLU 319 Ca -0.07 0.82 0.00 0.00 -0.02 0.00 0.00 57.16 57.88 1wuu n GLU 319 Cb 0.86 -5.70 0.00 0.00 -0.02 0.00 0.00 31.44 26.58 1wuu n GLU 319 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 1wuu n VAL 320 N -3.81 0.54 -0.56 2.62 0.24 -0.35 -4.99 118.33 112.02 1wuu n VAL 320 Ca -0.20 -0.60 0.00 0.00 -2.04 0.00 0.00 64.34 61.51 1wuu n VAL 320 Cb 0.65 0.78 0.00 0.00 -1.47 0.00 0.00 33.84 33.80 1wuu n VAL 320 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 1wuu n SER 321 N -0.27 0.00 -3.63 -1.34 2.88 -1.24 0.31 113.62 110.33 1wuu n SER 321 Ca 0.00 0.00 -0.06 0.00 -1.33 0.00 0.00 58.87 57.48 1wuu n SER 321 Cb 0.30 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.70 1wuu n SER 321 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1wuu n PRO 323 N 1.49 -0.06 0.16 0.00 -0.02 -1.26 0.13 135.00 135.44 1wuu n PRO 323 Ca -0.09 1.17 -0.14 0.00 -2.02 0.00 0.00 63.50 62.42 1wuu n PRO 323 Cb 0.57 -1.89 -0.07 0.00 -0.02 0.00 0.00 33.50 32.10 1wuu n PRO 323 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1wuu h GLU 324 N 0.00 -0.49 0.32 -0.52 3.07 -1.98 0.65 114.58 115.63 1wuu h GLU 324 Ca 0.50 0.03 -0.00 0.00 -0.50 0.00 0.00 59.36 59.39 1wuu h GLU 324 Cb 1.08 0.11 -0.03 0.00 -0.84 0.00 0.00 28.75 29.07 1wuu h GLU 324 CO -0.73 -0.33 -0.52 -0.07 -1.40 0.00 0.00 179.01 175.97 1wuu h LEU 325 N -0.51 -1.48 -0.77 1.33 3.38 0.68 0.42 115.31 118.36 1wuu h LEU 325 Ca -0.00 0.14 0.16 0.00 0.09 0.00 0.00 57.88 58.27 1wuu h LEU 325 Cb 0.48 0.52 -0.10 0.00 0.09 0.00 0.00 40.66 41.64 1wuu h LEU 325 CO -0.06 -0.62 0.28 0.44 0.09 0.00 0.00 178.44 178.57 1wuu h ASP 326 N -0.89 0.21 0.38 -0.43 3.32 0.40 0.57 116.42 119.98 1wuu h ASP 326 Ca -0.03 0.13 -0.01 0.00 0.02 0.00 0.00 57.03 57.13 1wuu h ASP 326 Cb 0.82 0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.49 1wuu h ASP 326 CO -0.17 0.05 -0.24 -0.61 -1.72 0.00 0.00 179.24 176.55 1wuu h GLN 327 N 0.39 -0.57 -0.66 3.56 4.15 0.91 0.83 115.11 123.72 1wuu h GLN 327 Ca 0.44 0.04 0.09 0.00 0.77 0.00 0.00 58.65 59.99 1wuu h GLN 327 Cb 0.72 0.13 -0.07 0.00 0.21 0.00 0.00 27.48 28.47 1wuu h GLN 327 CO -0.46 -0.38 0.29 -0.07 -1.93 0.00 0.00 178.83 176.28 1wuu h LEU 328 N -0.59 0.34 0.88 -2.39 3.38 0.16 0.19 115.31 117.29 1wuu h LEU 328 Ca -0.04 0.07 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 1wuu h LEU 328 Cb 0.49 0.02 0.01 0.00 0.09 0.00 0.00 40.66 41.27 1wuu h LEU 328 CO 0.04 0.20 -0.42 0.58 0.09 0.00 0.00 178.44 178.92 1wuu h VAL 329 N 0.50 0.00 -0.95 1.22 2.07 0.36 -1.96 116.25 117.49 1wuu h VAL 329 Ca 0.33 0.00 0.15 0.00 0.82 0.00 0.00 66.70 68.00 1wuu h VAL 329 Cb 0.38 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 29.99 1wuu h VAL 329 CO -0.29 0.00 -0.36 1.21 0.02 0.00 0.00 177.57 178.15 1wuu n GLU 330 N -5.19 -0.21 -0.01 1.57 2.13 0.26 0.35 120.64 119.54 1wuu n GLU 330 Ca -0.15 1.47 -0.09 0.00 0.66 0.00 0.00 57.16 59.05 1wuu n GLU 330 Cb 0.47 -2.18 -0.03 0.00 0.27 0.00 0.00 31.44 29.98 1wuu n GLU 330 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1wuu h ALA 331 N 1.35 -0.07 0.04 4.31 0.00 -0.91 -2.08 119.26 121.90 1wuu h ALA 331 Ca 0.34 0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.33 1wuu h ALA 331 Cb 0.58 0.33 -0.05 0.00 0.00 0.00 0.00 17.79 18.65 1wuu h ALA 331 CO -0.95 -0.61 -0.48 0.00 0.00 0.00 0.00 179.25 177.21 1wuu h ALA 332 N 0.87 -0.84 0.00 0.00 0.00 0.71 0.10 119.26 120.10 1wuu h ALA 332 Ca 0.10 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1wuu h ALA 332 Cb 0.34 0.85 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1wuu h ALA 332 CO -0.26 -1.05 0.55 -0.07 0.00 0.00 0.00 179.25 178.41 1wuu h LEU 333 N -0.66 0.00 -0.33 0.00 3.38 -0.68 0.72 115.31 117.75 1wuu h LEU 333 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1wuu h LEU 333 Cb 0.71 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.46 1wuu h LEU 333 CO -0.32 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.21 1wuu h ALA 334 N 0.89 1.00 -2.42 1.53 0.00 -0.30 -3.45 119.26 116.51 1wuu h ALA 334 Ca 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 54.91 54.39 1wuu h ALA 334 Cb 1.09 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.85 1wuu h ALA 334 CO 0.00 0.00 -0.02 0.08 0.00 0.00 0.00 179.25 179.31 1wuu s VAL 335 N -3.27 4.82 -0.19 0.00 1.01 0.25 -5.03 120.40 117.99 1wuu s VAL 335 Ca 0.07 0.66 -0.21 0.00 0.00 0.00 0.00 61.98 62.50 1wuu s VAL 335 Cb 0.08 -3.62 -0.03 0.00 0.00 0.00 0.00 36.38 32.82 1wuu s VAL 335 CO 0.60 -0.14 0.63 -2.84 0.00 0.00 0.00 175.10 173.35 1wuu s PRO 336 N -2.94 4.22 0.00 2.72 0.02 -1.26 -3.45 135.00 134.31 1wuu s PRO 336 Ca 0.50 0.62 0.00 0.00 0.02 0.00 0.00 61.00 62.15 1wuu s PRO 336 Cb -0.11 -3.57 0.00 0.00 0.02 0.00 0.00 34.50 30.84 1wuu s PRO 336 CO 0.20 -0.22 0.00 0.41 -0.33 0.00 0.00 177.00 177.06 1wuu n GLY 337 N 3.76 1.38 3.64 0.52 0.00 -1.26 -4.85 105.19 108.38 1wuu n GLY 337 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 1wuu n GLY 337 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wuu s VAL 338 N -2.00 4.91 -0.02 1.61 1.01 -1.22 0.13 120.40 124.82 1wuu s VAL 338 Ca 0.00 1.39 -0.20 0.00 0.00 0.00 0.00 61.98 63.17 1wuu s VAL 338 Cb 0.00 -4.04 -0.31 0.00 0.00 0.00 0.00 36.38 32.03 1wuu s VAL 338 CO 0.00 -0.00 0.97 1.88 0.00 0.00 0.00 175.10 177.94 1wuu h TYR 339 N 7.67 0.68 -1.56 5.22 -1.99 0.18 -3.48 116.97 123.69 1wuu h TYR 339 Ca -0.26 -0.47 0.32 0.00 2.00 0.00 0.00 58.73 60.32 1wuu h TYR 339 Cb 1.11 -0.04 -0.11 0.00 2.00 0.00 0.00 36.73 39.69 1wuu h TYR 339 CO 0.74 1.35 0.83 0.20 -0.00 0.00 0.00 178.16 181.28 1wuu s GLY 340 N -4.40 -0.37 -0.11 3.88 0.00 -1.18 -3.70 107.32 101.45 1wuu s GLY 340 Ca -0.12 0.59 -0.25 0.00 0.00 0.00 0.00 44.72 44.94 1wuu s GLY 340 CO 0.86 0.84 0.59 -0.45 0.00 0.00 0.00 173.10 174.94 1wuu s SER 341 N -3.09 -0.57 0.00 1.64 0.15 -1.26 -1.78 113.70 108.79 1wuu s SER 341 Ca 0.16 0.79 0.00 0.00 0.70 0.00 0.00 55.95 57.60 1wuu s SER 341 Cb 0.04 0.75 0.00 0.00 -1.71 0.00 0.00 66.02 65.10 1wuu s SER 341 CO -0.03 -0.44 0.00 -2.11 1.20 0.00 0.00 173.24 171.86 1wuu n ARG 342 N 1.62 0.00 -3.63 5.44 1.85 -0.16 -4.10 116.66 117.68 1wuu n ARG 342 Ca -0.18 0.00 -0.10 0.00 -1.00 0.00 0.00 57.85 56.57 1wuu n ARG 342 Cb 0.56 0.00 -0.03 0.00 -1.05 0.00 0.00 32.46 31.95 1wuu n ARG 342 CO 0.00 0.00 0.00 -0.08 -0.01 0.00 0.00 177.63 177.54 1wuu s THR 344 N 2.00 0.01 0.00 8.89 -1.32 -1.03 0.22 115.64 124.42 1wuu s THR 344 Ca 0.00 -0.50 0.00 0.00 -1.21 0.00 0.00 61.69 59.98 1wuu s THR 344 Cb 0.00 -1.40 0.00 0.00 -1.51 0.00 0.00 72.50 69.59 1wuu s THR 344 CO 0.00 -0.06 0.00 0.61 -2.21 0.00 0.00 174.62 172.96 1wuu n GLY 345 N -0.37 -0.39 0.28 6.08 0.00 -1.24 -4.31 105.19 105.24 1wuu n GLY 345 Ca -0.12 -1.09 0.05 0.00 0.00 0.00 0.00 46.02 44.86 1wuu n GLY 345 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1wuu h GLY 346 N 0.00 0.86 0.00 -0.02 0.00 -1.93 -3.46 103.07 98.52 1wuu h GLY 346 Ca 0.00 0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.43 1wuu h GLY 346 CO 0.00 -0.29 0.00 0.61 0.00 0.00 0.00 176.54 176.86 1wuu n GLY 347 N -1.42 -2.56 2.26 4.60 0.00 -1.26 -4.96 105.19 101.85 1wuu n GLY 347 Ca 0.14 -2.14 -0.10 0.00 0.00 0.00 0.00 46.02 43.92 1wuu n GLY 347 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1wuu n PHE 348 N -0.12 -0.11 0.00 1.61 3.01 0.92 -4.82 117.46 117.95 1wuu n PHE 348 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 1wuu n PHE 348 Cb 0.00 -2.01 0.00 0.00 -0.01 0.00 0.00 39.48 37.46 1wuu n PHE 348 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1wuu n GLY 349 N -1.60 0.73 0.00 1.37 0.00 -1.26 -1.92 105.19 102.50 1wuu n GLY 349 Ca -0.10 -2.08 0.00 0.00 0.00 0.00 0.00 46.02 43.84 1wuu n GLY 349 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wuu n GLY 350 N -0.28 0.82 3.65 -0.02 0.00 -0.56 -4.80 105.19 104.00 1wuu n GLY 350 Ca 0.00 -1.38 -0.29 0.00 0.00 0.00 0.00 46.02 44.35 1wuu n GLY 350 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wuu s THR 352 N -2.74 0.98 0.01 0.00 -4.23 -0.76 -2.46 115.64 106.44 1wuu s THR 352 Ca 0.30 -1.60 0.09 0.00 -1.18 0.00 0.00 61.69 59.30 1wuu s THR 352 Cb 0.08 -1.32 -0.02 0.00 1.34 0.00 0.00 72.50 72.58 1wuu s THR 352 CO 0.15 -0.51 -0.26 0.54 -0.54 0.00 0.00 174.62 174.01 1wuu s VAL 353 N -2.26 2.13 -0.02 2.29 0.11 0.13 -1.51 120.40 121.27 1wuu s VAL 353 Ca 0.04 -1.25 0.01 0.00 -2.93 0.00 0.00 61.98 57.85 1wuu s VAL 353 Cb -0.04 -1.78 0.02 0.00 -1.53 0.00 0.00 36.38 33.05 1wuu s VAL 353 CO 0.01 0.47 -0.01 -0.89 -3.33 0.00 0.00 175.10 171.34 1wuu s THR 354 N -0.72 0.18 -0.22 5.04 2.01 0.20 -0.98 115.64 121.15 1wuu s THR 354 Ca 0.11 0.04 -0.10 0.00 0.31 0.00 0.00 61.69 62.05 1wuu s THR 354 Cb -0.10 -0.25 -0.05 0.00 0.01 0.00 0.00 72.50 72.11 1wuu s THR 354 CO 0.01 0.13 0.14 -0.22 -0.69 0.00 0.00 174.62 173.99 1wuu s LEU 355 N 0.78 4.12 0.00 4.42 2.96 -0.73 -0.07 118.68 130.16 1wuu s LEU 355 Ca -0.08 0.14 -0.11 0.00 -0.22 0.00 0.00 54.13 53.87 1wuu s LEU 355 Cb -0.11 -2.09 0.04 0.00 0.50 0.00 0.00 46.19 44.53 1wuu s LEU 355 CO -0.01 0.11 0.65 0.00 -1.32 0.00 0.00 176.35 175.77 1wuu n LEU 356 N 4.02 0.00 -4.71 -0.68 -0.00 0.09 0.89 117.00 116.60 1wuu n LEU 356 Ca -0.15 -2.37 -0.42 0.00 -0.00 0.00 0.00 56.01 53.07 1wuu n LEU 356 Cb 0.52 3.17 -0.03 0.00 -0.00 0.00 0.00 43.42 47.08 1wuu n LEU 356 CO 0.36 -0.73 0.87 -1.61 -0.00 0.00 0.00 177.39 176.28 1wuu s GLU 357 N -2.23 4.44 0.21 1.47 2.02 0.36 0.12 118.70 125.09 1wuu s GLU 357 Ca 0.17 1.71 -0.09 0.00 0.02 0.00 0.00 54.97 56.78 1wuu s GLU 357 Cb -0.04 -3.39 0.30 0.00 0.10 0.00 0.00 34.13 31.11 1wuu s GLU 357 CO 0.12 -0.25 1.72 0.00 0.02 0.00 0.00 175.26 176.87 1wuu h ALA 358 N 6.89 0.77 0.00 5.21 0.00 -1.65 0.31 119.26 130.79 1wuu h ALA 358 Ca -0.41 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1wuu h ALA 358 Cb 1.21 0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1wuu h ALA 358 CO 0.81 -0.26 0.00 0.66 0.00 0.00 0.00 179.25 180.47 1wuu h SER 359 N 0.33 0.00 1.16 0.00 4.64 -1.90 0.21 113.55 118.00 1wuu h SER 359 Ca 0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 1wuu h SER 359 Cb 0.45 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.54 1wuu h SER 359 CO -0.37 0.00 -0.54 0.00 -0.87 0.00 0.00 176.83 175.05 1wuu h ALA 360 N 1.99 0.68 -0.86 5.18 0.00 -0.72 -3.39 119.26 122.14 1wuu h ALA 360 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 54.91 55.00 1wuu h ALA 360 Cb 0.01 0.00 -0.11 0.00 0.00 0.00 0.00 17.79 17.68 1wuu h ALA 360 CO 0.00 0.00 -0.47 0.00 0.00 0.00 0.00 179.25 178.78 1wuu n ALA 361 N -1.96 -0.44 -0.07 0.00 0.00 0.75 -1.40 120.51 117.38 1wuu n ALA 361 Ca 0.03 0.76 -0.08 0.00 0.00 0.00 0.00 53.44 54.15 1wuu n ALA 361 Cb 0.48 -0.18 -0.01 0.00 0.00 0.00 0.00 19.45 19.74 1wuu n ALA 361 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1wuu h PRO 362 N 0.00 0.24 -0.49 0.00 0.11 -1.76 -2.24 132.00 127.87 1wuu h PRO 362 Ca 0.18 -0.01 0.05 0.00 0.11 0.00 0.00 66.00 66.32 1wuu h PRO 362 Cb 0.39 -0.06 -0.05 0.00 0.11 0.00 0.00 31.00 31.40 1wuu h PRO 362 CO -0.82 0.16 0.22 1.25 -0.21 0.00 0.00 178.00 178.60 1wuu h HIS 363 N 0.25 0.40 0.00 0.65 -0.00 -1.60 -2.46 115.15 112.39 1wuu h HIS 363 Ca 0.12 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.51 1wuu h HIS 363 Cb 0.07 -0.11 0.00 0.00 -0.00 0.00 0.00 27.41 27.37 1wuu h HIS 363 CO -0.12 0.18 0.00 0.00 -0.00 0.00 0.00 177.93 178.00 1wuu n ALA 364 N -2.35 0.92 0.00 5.26 0.00 -0.50 -0.23 120.51 123.62 1wuu n ALA 364 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1wuu n ALA 364 Cb 0.15 -0.65 0.00 0.00 0.00 0.00 0.00 19.45 18.95 1wuu n ALA 364 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1wuu n ARG 366 N 0.75 0.00 -0.34 0.00 0.63 -0.93 -1.33 116.66 115.43 1wuu n ARG 366 Ca 0.00 0.00 -0.07 0.00 -0.92 0.00 0.00 57.85 56.86 1wuu n ARG 366 Cb 0.00 0.00 -0.04 0.00 0.45 0.00 0.00 32.46 32.87 1wuu n ARG 366 CO 0.00 0.00 0.00 1.25 -2.51 0.00 0.00 177.63 176.37 1wuu h HIS 367 N 0.00 -1.48 0.19 -0.14 2.76 -0.88 -0.65 115.15 114.94 1wuu h HIS 367 Ca 0.00 0.11 0.00 0.00 -2.20 0.00 0.00 60.37 58.28 1wuu h HIS 367 Cb 0.00 0.77 -0.03 0.00 1.55 0.00 0.00 27.41 29.70 1wuu h HIS 367 CO 0.00 -0.40 -0.38 0.82 -1.30 0.00 0.00 177.93 176.66 1wuu h ILE 368 N -0.07 0.00 -0.77 6.26 2.04 -1.42 0.76 117.51 124.30 1wuu h ILE 368 Ca 0.22 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.15 1wuu h ILE 368 Cb 0.52 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 36.51 1wuu h ILE 368 CO -0.88 0.00 -0.45 1.67 0.00 0.00 0.00 178.15 178.49 1wuu n GLN 369 N -4.67 -0.34 0.27 2.37 7.27 -0.53 -0.67 117.38 121.08 1wuu n GLN 369 Ca -0.07 1.25 0.09 0.00 0.07 0.00 0.00 57.00 58.34 1wuu n GLN 369 Cb 0.32 -1.83 0.70 0.00 2.41 0.00 0.00 30.24 31.83 1wuu n GLN 369 CO 0.00 0.00 0.00 0.93 0.07 0.00 0.00 177.06 178.06 1wuu h GLU 370 N 0.00 0.00 -0.26 3.69 5.08 -0.66 -2.45 114.58 119.98 1wuu h GLU 370 Ca 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1wuu h GLU 370 Cb 0.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.57 1wuu h GLU 370 CO -0.72 0.00 0.00 0.72 -1.00 0.00 0.00 179.01 178.01 1wuu n HIS 371 N -4.40 0.32 -3.70 4.33 8.25 0.22 -4.81 115.22 115.43 1wuu n HIS 371 Ca -0.03 -0.17 -0.39 0.00 -0.26 0.00 0.00 57.72 56.87 1wuu n HIS 371 Cb 0.09 -0.00 -0.12 0.00 1.12 0.00 0.00 29.99 31.08 1wuu n HIS 371 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 1wuu s TYR 372 N -1.54 3.26 0.00 4.41 5.04 0.16 -4.93 117.35 123.75 1wuu s TYR 372 Ca 0.33 -1.32 -0.03 0.00 -2.44 0.00 0.00 57.07 53.61 1wuu s TYR 372 Cb 0.20 -2.39 -0.14 0.00 0.35 0.00 0.00 41.96 39.98 1wuu s TYR 372 CO 0.29 -0.72 2.31 0.41 -1.34 0.00 0.00 175.55 176.49 1wuu n GLY 373 N 4.87 2.23 0.00 8.97 0.00 -1.26 -4.68 105.19 115.31 1wuu n GLY 373 Ca -0.12 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.28 1wuu n GLY 373 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wuu n GLY 374 N 2.43 2.34 3.52 -0.02 0.00 -1.26 -5.12 105.19 107.08 1wuu n GLY 374 Ca 0.22 -1.08 -0.42 0.00 0.00 0.00 0.00 46.02 44.74 1wuu n GLY 374 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wuu s THR 375 N -2.85 5.09 -0.11 2.61 2.01 -1.26 -5.04 115.64 116.09 1wuu s THR 375 Ca 0.00 -0.03 -0.04 0.00 0.31 0.00 0.00 61.69 61.93 1wuu s THR 375 Cb 0.00 -3.94 -0.04 0.00 0.01 0.00 0.00 72.50 68.53 1wuu s THR 375 CO 0.00 -0.25 0.03 0.00 -0.69 0.00 0.00 174.62 173.71 1wuu s ALA 376 N 2.17 3.39 -0.10 7.40 0.00 -1.26 -4.14 121.76 129.22 1wuu s ALA 376 Ca 0.14 -0.77 0.01 0.00 0.00 0.00 0.00 51.96 51.34 1wuu s ALA 376 Cb -0.16 -1.64 -0.02 0.00 0.00 0.00 0.00 23.12 21.29 1wuu s ALA 376 CO 0.13 0.50 -0.12 0.99 0.00 0.00 0.00 175.76 177.27 1wuu s THR 377 N -0.63 3.23 -0.07 0.00 2.01 0.03 -4.83 115.64 115.37 1wuu s THR 377 Ca 0.11 -0.63 0.05 0.00 0.31 0.00 0.00 61.69 61.53 1wuu s THR 377 Cb -0.12 -2.33 -0.01 0.00 0.01 0.00 0.00 72.50 70.06 1wuu s THR 377 CO 0.02 0.55 -0.24 -0.36 -0.69 0.00 0.00 174.62 173.90 1wuu s PHE 378 N -0.17 2.49 -0.09 4.92 0.40 -0.87 0.28 117.98 124.94 1wuu s PHE 378 Ca 0.00 -0.82 0.01 0.00 -0.60 0.00 0.00 56.93 55.52 1wuu s PHE 378 Cb -0.13 -1.64 0.02 0.00 0.51 0.00 0.00 43.02 41.77 1wuu s PHE 378 CO 0.03 -0.28 -0.09 0.71 0.70 0.00 0.00 175.22 176.29 1wuu s TYR 379 N 0.01 1.44 -0.90 0.36 1.51 0.79 -2.20 117.35 118.36 1wuu s TYR 379 Ca -0.09 -0.64 -0.16 0.00 -1.01 0.00 0.00 57.07 55.18 1wuu s TYR 379 Cb -0.15 -1.14 0.18 0.00 -0.11 0.00 0.00 41.96 40.74 1wuu s TYR 379 CO 0.05 -0.41 0.97 -0.51 -1.11 0.00 0.00 175.55 174.54 1wuu s LEU 380 N 1.26 5.92 0.27 -1.29 1.43 -1.26 -0.81 118.68 124.21 1wuu s LEU 380 Ca -0.03 -2.45 -0.07 0.00 -1.03 0.00 0.00 54.13 50.54 1wuu s LEU 380 Cb -0.14 -2.30 -0.06 0.00 0.03 0.00 0.00 46.19 43.72 1wuu s LEU 380 CO -0.03 -0.79 0.57 -0.44 0.23 0.00 0.00 176.35 175.89 1wuu s SER 381 N 2.80 6.53 -0.01 2.29 0.01 0.65 -4.98 113.70 120.99 1wuu s SER 381 Ca 0.26 0.84 0.02 0.00 1.31 0.00 0.00 55.95 58.37 1wuu s SER 381 Cb -0.07 -2.19 -0.00 0.00 0.21 0.00 0.00 66.02 63.96 1wuu s SER 381 CO -0.09 -0.16 -0.05 -1.10 0.41 0.00 0.00 173.24 172.25 1wuu s GLN 382 N -3.27 0.44 0.06 12.44 -0.21 -1.26 -3.76 119.66 124.10 1wuu s GLN 382 Ca 0.46 -0.18 -0.34 0.00 0.02 0.00 0.00 55.36 55.32 1wuu s GLN 382 Cb -0.11 -0.43 -0.13 0.00 1.00 0.00 0.00 33.01 33.34 1wuu s GLN 382 CO 0.26 0.10 1.70 0.00 -2.12 0.00 0.00 175.29 175.23 1wuu n ALA 383 N 3.01 1.15 -2.35 6.09 0.00 -1.25 -4.29 120.51 122.88 1wuu n ALA 383 Ca -0.14 0.38 -0.25 0.00 0.00 0.00 0.00 53.44 53.43 1wuu n ALA 383 Cb 0.58 -2.41 0.00 0.00 0.00 0.00 0.00 19.45 17.62 1wuu n ALA 383 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wuu s ALA 384 N 2.18 4.45 0.58 0.00 0.00 0.59 -2.82 121.76 126.75 1wuu s ALA 384 Ca 0.84 -1.38 -0.08 0.00 0.00 0.00 0.00 51.96 51.35 1wuu s ALA 384 Cb -0.69 -0.82 -0.02 0.00 0.00 0.00 0.00 23.12 21.60 1wuu s ALA 384 CO 0.43 -0.48 0.92 -0.51 0.00 0.00 0.00 175.76 176.12 1wuu s ASP 385 N -4.32 5.92 0.60 0.00 1.01 -1.26 -2.43 116.67 116.18 1wuu s ASP 385 Ca 0.38 0.99 0.00 0.00 0.71 0.00 0.00 52.55 54.63 1wuu s ASP 385 Cb -0.03 -2.07 0.00 0.00 1.01 0.00 0.00 42.92 41.83 1wuu s ASP 385 CO 0.23 -0.91 0.00 0.61 0.21 0.00 0.00 175.17 175.31 1wuu n GLY 386 N -2.58 -1.53 3.67 0.21 0.00 -1.21 -4.72 105.19 99.03 1wuu n GLY 386 Ca 0.04 -1.56 -0.45 0.00 0.00 0.00 0.00 46.02 44.05 1wuu n GLY 386 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wuu n ALA 387 N -3.00 1.09 -3.51 4.61 0.00 -0.52 -4.72 120.51 114.46 1wuu n ALA 387 Ca 0.00 0.42 -0.16 0.00 0.00 0.00 0.00 53.44 53.69 1wuu n ALA 387 Cb 0.00 -2.28 -0.07 0.00 0.00 0.00 0.00 19.45 17.11 1wuu n ALA 387 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1wuu s LYS 388 N -0.26 0.95 0.21 0.00 -2.85 0.22 -5.00 119.74 113.00 1wuu s LYS 388 Ca 0.69 0.40 -0.30 0.00 -1.00 0.00 0.00 55.97 55.77 1wuu s LYS 388 Cb -0.66 0.45 -0.08 0.00 -2.06 0.00 0.00 37.83 35.48 1wuu s LYS 388 CO 0.48 -0.25 1.04 0.08 0.10 0.00 0.00 175.35 176.80 1wuu s VAL 389 N -0.78 3.92 -0.21 1.79 1.01 -1.26 -1.38 120.40 123.50 1wuu s VAL 389 Ca -0.08 1.77 -0.01 0.00 0.00 0.00 0.00 61.98 63.66 1wuu s VAL 389 Cb -0.02 -4.13 0.01 0.00 0.00 0.00 0.00 36.38 32.24 1wuu s VAL 389 CO 0.07 0.36 -0.11 -0.76 0.00 0.00 0.00 175.10 174.66 1wuu s LEU 390 N -0.77 2.62 -0.10 3.92 1.43 0.80 -4.95 118.68 121.63 1wuu s LEU 390 Ca 0.46 -0.58 -0.26 0.00 -1.03 0.00 0.00 54.13 52.72 1wuu s LEU 390 Cb -0.28 -1.62 -0.02 0.00 0.03 0.00 0.00 46.19 44.30 1wuu s LEU 390 CO 0.35 -0.03 0.83 0.00 0.23 0.00 0.00 176.35 177.73