#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u6s s THR -9 N 0.00 1.38 -0.00 1.12 -1.32 -1.26 -5.16 115.64 110.40 1u6s s THR -9 Ca 0.00 -2.02 -0.01 0.00 -1.21 0.00 0.00 61.69 58.45 1u6s s THR -9 Cb 0.00 -1.82 -0.04 0.00 -1.51 0.00 0.00 72.50 69.13 1u6s s THR -9 CO 0.00 -0.62 0.12 -0.70 -2.21 0.00 0.00 174.62 171.21 1u6s s GLU -8 N -3.43 3.20 0.14 7.08 2.56 -1.26 -5.09 118.70 121.90 1u6s s GLU -8 Ca 0.16 -0.43 -0.30 0.00 0.00 0.00 0.00 54.97 54.40 1u6s s GLU -8 Cb -0.00 -2.94 -0.07 0.00 2.00 0.00 0.00 34.13 33.12 1u6s s GLU -8 CO 0.03 0.65 1.02 0.42 -0.56 0.00 0.00 175.26 176.82 1u6s s ILE -7 N -1.25 4.22 0.37 -3.70 1.01 -1.26 -4.99 121.20 115.60 1u6s s ILE -7 Ca 0.25 1.89 -0.28 0.00 0.00 0.00 0.00 60.65 62.51 1u6s s ILE -7 Cb -0.12 -4.21 -0.11 0.00 0.01 0.00 0.00 42.46 38.03 1u6s s ILE -7 CO 0.16 0.31 1.48 0.00 0.00 0.00 0.00 174.94 176.89 1u6s n ALA -6 N 2.55 2.28 -2.59 9.38 0.00 -1.26 -5.00 120.51 125.88 1u6s n ALA -6 Ca 0.02 0.35 -0.38 0.00 0.00 0.00 0.00 53.44 53.43 1u6s n ALA -6 Cb 0.48 -2.41 -0.11 0.00 0.00 0.00 0.00 19.45 17.41 1u6s n ALA -6 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1u6s s THR -5 N -1.01 5.31 0.42 0.00 2.01 -1.26 -5.09 115.64 116.02 1u6s s THR -5 Ca 0.54 0.19 0.04 0.00 0.31 0.00 0.00 61.69 62.77 1u6s s THR -5 Cb -0.49 -3.54 -0.05 0.00 0.01 0.00 0.00 72.50 68.44 1u6s s THR -5 CO 0.62 0.25 0.04 0.42 -0.69 0.00 0.00 174.62 175.26 1u6s s THR -4 N 1.74 1.38 -0.06 -0.82 -4.23 -1.26 -5.16 115.64 107.23 1u6s s THR -4 Ca 0.07 -2.00 -0.30 0.00 -1.18 0.00 0.00 61.69 58.28 1u6s s THR -4 Cb -0.16 -2.63 0.08 0.00 1.34 0.00 0.00 72.50 71.13 1u6s s THR -4 CO 0.11 0.00 0.74 -0.55 -0.54 0.00 0.00 174.62 174.38 1u6s s SER -3 N -3.69 -0.60 0.00 3.99 0.15 -1.25 -4.90 113.70 107.41 1u6s s SER -3 Ca 0.26 0.62 0.00 0.00 0.70 0.00 0.00 55.95 57.53 1u6s s SER -3 Cb 0.06 0.49 0.00 0.00 -1.71 0.00 0.00 66.02 64.87 1u6s s SER -3 CO 0.13 -0.57 0.00 0.61 1.20 0.00 0.00 173.24 174.60 1u6s n GLY -2 N 0.80 3.19 3.74 9.45 0.00 0.12 -4.50 105.19 117.98 1u6s n GLY -2 Ca -0.17 -1.90 -0.41 0.00 0.00 0.00 0.00 46.02 43.53 1u6s n GLY -2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u6s s ALA -1 N -2.52 3.42 0.02 4.61 0.00 -1.25 -4.83 121.76 121.21 1u6s s ALA -1 Ca 0.00 0.92 -0.21 0.00 0.00 0.00 0.00 51.96 52.67 1u6s s ALA -1 Cb 0.00 -3.40 -0.17 0.00 0.00 0.00 0.00 23.12 19.55 1u6s s ALA -1 CO 0.00 -0.33 1.27 0.00 0.00 0.00 0.00 175.76 176.70 1u6s h ARG 1 N 5.16 0.30 -5.84 0.00 2.47 -1.92 -3.34 114.38 111.20 1u6s h ARG 1 Ca -0.45 -0.19 -0.61 0.00 -1.26 0.00 0.00 59.98 57.47 1u6s h ARG 1 Cb 1.21 0.02 -0.12 0.00 -1.65 0.00 0.00 29.97 29.44 1u6s h ARG 1 CO 0.74 0.77 0.40 0.45 0.56 0.00 0.00 179.97 182.89 1u6s s SER 2 N -6.16 6.51 0.02 7.04 0.15 -1.26 -4.92 113.70 115.07 1u6s s SER 2 Ca -0.14 0.19 0.06 0.00 0.70 0.00 0.00 55.95 56.76 1u6s s SER 2 Cb 0.04 -2.40 -0.02 0.00 -1.71 0.00 0.00 66.02 61.93 1u6s s SER 2 CO 0.75 -0.83 -0.19 -0.69 1.20 0.00 0.00 173.24 173.48 1u6s s VAL 3 N 3.25 1.51 0.28 4.45 1.01 -1.26 -2.08 120.40 127.56 1u6s s VAL 3 Ca 0.32 -1.00 -0.10 0.00 0.00 0.00 0.00 61.98 61.20 1u6s s VAL 3 Cb -0.12 -1.30 0.00 0.00 0.00 0.00 0.00 36.38 34.96 1u6s s VAL 3 CO 0.20 0.27 0.48 -0.83 0.00 0.00 0.00 175.10 175.22 1u6s s GLY 4 N -0.86 0.81 -0.27 4.51 0.00 -0.04 -0.18 107.32 111.29 1u6s s GLY 4 Ca 0.07 -1.07 -0.25 0.00 0.00 0.00 0.00 44.72 43.47 1u6s s GLY 4 CO 0.01 -0.74 0.84 1.08 0.00 0.00 0.00 173.10 174.29 1u6s s LEU 5 N -3.09 4.07 0.08 0.66 1.43 -1.26 -2.10 118.68 118.48 1u6s s LEU 5 Ca 0.25 0.91 0.13 0.00 -1.03 0.00 0.00 54.13 54.39 1u6s s LEU 5 Cb -0.01 -3.18 -0.15 0.00 0.03 0.00 0.00 46.19 42.89 1u6s s LEU 5 CO 0.12 -0.58 0.99 -0.07 0.23 0.00 0.00 176.35 177.04 1u6s h LEU 6 N 9.36 0.00 -7.50 1.79 3.38 -1.34 -3.38 115.31 117.61 1u6s h LEU 6 Ca -0.23 0.00 0.25 0.00 0.09 0.00 0.00 57.88 57.99 1u6s h LEU 6 Cb 1.09 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.75 1u6s h LEU 6 CO 0.89 0.78 0.68 -0.94 0.09 0.00 0.00 178.44 179.94 1u6s s SER 7 N -6.20 -0.09 0.04 -0.43 1.04 -1.25 -2.45 113.70 104.36 1u6s s SER 7 Ca -0.01 -0.30 0.04 0.00 0.48 0.00 0.00 55.95 56.16 1u6s s SER 7 Cb 0.09 0.32 -0.02 0.00 0.10 0.00 0.00 66.02 66.50 1u6s s SER 7 CO 0.81 -0.60 -0.11 0.54 0.98 0.00 0.00 173.24 174.85 1u6s s VAL 8 N -2.71 0.86 -0.03 5.02 0.11 -1.26 -2.38 120.40 120.01 1u6s s VAL 8 Ca 0.15 -0.97 0.01 0.00 -2.93 0.00 0.00 61.98 58.24 1u6s s VAL 8 Cb 0.01 -0.82 0.02 0.00 -1.53 0.00 0.00 36.38 34.06 1u6s s VAL 8 CO -0.00 -0.13 -0.03 -0.83 -3.33 0.00 0.00 175.10 170.78 1u6s s GLY 9 N -1.23 0.30 -0.05 6.54 0.00 0.57 -4.56 107.32 108.89 1u6s s GLY 9 Ca -0.02 -0.01 0.05 0.00 0.00 0.00 0.00 44.72 44.74 1u6s s GLY 9 CO 0.01 0.31 -0.22 0.00 0.00 0.00 0.00 173.10 173.20 1u6s s ALA 10 N 0.63 1.93 -0.17 3.20 0.00 -1.26 -0.20 121.76 125.89 1u6s s ALA 10 Ca -0.07 -0.92 0.01 0.00 0.00 0.00 0.00 51.96 50.98 1u6s s ALA 10 Cb -0.10 -0.61 0.01 0.00 0.00 0.00 0.00 23.12 22.42 1u6s s ALA 10 CO -0.01 0.37 -0.19 -0.47 0.00 0.00 0.00 175.76 175.46 1u6s s TYR 11 N -0.09 2.76 -0.17 0.00 5.04 0.97 -4.88 117.35 120.98 1u6s s TYR 11 Ca -0.04 -1.42 0.01 0.00 -2.44 0.00 0.00 57.07 53.18 1u6s s TYR 11 Cb -0.13 -1.90 0.01 0.00 0.35 0.00 0.00 41.96 40.29 1u6s s TYR 11 CO 0.03 -0.69 -0.18 1.03 -1.34 0.00 0.00 175.55 174.41 1u6s s ARG 12 N 1.10 3.08 0.66 4.97 0.52 -1.26 -1.58 118.95 126.43 1u6s s ARG 12 Ca 0.00 -0.80 -0.17 0.00 -0.52 0.00 0.00 55.73 54.24 1u6s s ARG 12 Cb -0.14 -2.60 -0.04 0.00 0.52 0.00 0.00 34.95 32.69 1u6s s ARG 12 CO -0.07 -0.13 0.80 -2.30 0.02 0.00 0.00 175.30 173.61 1u6s n PRO 13 N 4.44 0.59 0.23 3.54 -0.02 -1.26 -4.95 135.00 137.56 1u6s n PRO 13 Ca -0.20 0.24 -0.15 0.00 -2.02 0.00 0.00 63.50 61.37 1u6s n PRO 13 Cb 0.51 -2.03 -0.08 0.00 -0.02 0.00 0.00 33.50 31.87 1u6s n PRO 13 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1u6s h GLU 14 N 0.04 -0.55 -6.40 -0.52 4.81 -1.98 -3.44 114.58 106.54 1u6s h GLU 14 Ca -0.47 0.04 -0.55 0.00 -0.13 0.00 0.00 59.36 58.25 1u6s h GLU 14 Cb 1.36 0.13 0.03 0.00 0.63 0.00 0.00 28.75 30.89 1u6s h GLU 14 CO 0.47 -0.27 1.16 -2.13 -0.73 0.00 0.00 179.01 177.51 1u6s n ARG 15 N -5.26 2.72 -3.53 1.92 0.63 -1.25 -4.95 116.66 106.95 1u6s n ARG 15 Ca -0.11 0.99 -0.36 0.00 -0.92 0.00 0.00 57.85 57.45 1u6s n ARG 15 Cb 0.28 -2.91 -0.07 0.00 0.45 0.00 0.00 32.46 30.21 1u6s n ARG 15 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 1u6s s VAL 16 N 3.77 5.30 -0.30 5.15 1.01 -1.26 -2.05 120.40 132.02 1u6s s VAL 16 Ca 0.87 0.56 -0.02 0.00 0.00 0.00 0.00 61.98 63.39 1u6s s VAL 16 Cb -0.50 -3.64 0.05 0.00 0.00 0.00 0.00 36.38 32.29 1u6s s VAL 16 CO 0.42 0.38 -0.00 -0.69 0.00 0.00 0.00 175.10 175.21 1u6s s VAL 17 N 0.54 3.02 0.69 2.92 1.01 0.40 -4.98 120.40 123.99 1u6s s VAL 17 Ca 0.17 -1.32 -0.11 0.00 0.00 0.00 0.00 61.98 60.72 1u6s s VAL 17 Cb -0.13 -2.71 0.00 0.00 0.00 0.00 0.00 36.38 33.54 1u6s s VAL 17 CO 0.04 -0.07 1.06 0.42 0.00 0.00 0.00 175.10 176.55 1u6s s THR 18 N 1.27 4.09 0.25 3.92 -4.23 -1.26 -2.30 115.64 117.38 1u6s s THR 18 Ca -0.04 0.68 -0.05 0.00 -1.18 0.00 0.00 61.69 61.10 1u6s s THR 18 Cb -0.19 -3.47 0.24 0.00 1.34 0.00 0.00 72.50 70.41 1u6s s THR 18 CO -0.01 -0.89 1.87 0.78 -0.54 0.00 0.00 174.62 175.83 1u6s h ASN 19 N -0.67 0.95 -0.83 3.99 2.35 -1.94 -1.79 115.58 117.64 1u6s h ASN 19 Ca -0.44 0.01 0.09 0.00 -0.55 0.00 0.00 56.30 55.40 1u6s h ASN 19 Cb 1.21 -0.20 -0.06 0.00 0.05 0.00 0.00 38.32 39.32 1u6s h ASN 19 CO 0.58 0.63 0.54 0.44 -1.65 0.00 0.00 177.43 177.97 1u6s h ASP 20 N 1.10 0.75 -0.48 5.81 3.32 -1.93 -1.48 116.42 123.52 1u6s h ASP 20 Ca 0.39 0.02 -0.11 0.00 0.02 0.00 0.00 57.03 57.34 1u6s h ASP 20 Cb 0.10 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 1u6s h ASP 20 CO -0.15 0.45 -0.13 -0.33 -1.72 0.00 0.00 179.24 177.36 1u6s h GLU 21 N 0.83 0.93 -0.19 3.56 5.08 -1.71 -3.10 114.58 119.97 1u6s h GLU 21 Ca 0.38 -0.36 -0.07 0.00 -1.00 0.00 0.00 59.36 58.31 1u6s h GLU 21 Cb 0.37 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 1u6s h GLU 21 CO -0.15 1.02 -0.18 0.82 -1.00 0.00 0.00 179.01 179.52 1u6s h ILE 22 N 0.78 1.22 0.00 3.13 1.08 -0.85 -2.95 117.51 119.91 1u6s h ILE 22 Ca 0.12 -1.01 0.00 0.00 -0.39 0.00 0.00 64.86 63.57 1u6s h ILE 22 Cb 0.69 1.28 0.00 0.00 -3.07 0.00 0.00 36.82 35.72 1u6s h ILE 22 CO 0.05 0.32 0.00 0.00 -0.69 0.00 0.00 178.15 177.83 1u6s n GLN 24 N -0.85 0.40 0.00 0.00 -0.00 -1.12 -2.86 117.38 112.95 1u6s n GLN 24 Ca 0.14 0.04 0.00 0.00 -0.00 0.00 0.00 57.00 57.18 1u6s n GLN 24 Cb 0.06 -1.50 0.00 0.00 -0.00 0.00 0.00 30.24 28.80 1u6s n GLN 24 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.06 177.78 1u6s n HIS 25 N -1.08 0.00 -4.32 2.61 8.25 -1.26 -5.09 115.22 114.33 1u6s n HIS 25 Ca 0.10 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.33 1u6s n HIS 25 Cb 0.07 0.00 -0.12 0.00 1.12 0.00 0.00 29.99 31.06 1u6s n HIS 25 CO 0.00 0.00 0.00 0.96 0.64 0.00 0.00 176.34 177.94 1u6s s ILE 26 N 0.00 1.83 -0.76 1.59 -4.36 -1.13 -4.61 121.20 113.76 1u6s s ILE 26 Ca 0.00 -1.74 -0.24 0.00 -0.26 0.00 0.00 60.65 58.41 1u6s s ILE 26 Cb 0.00 -1.74 0.06 0.00 1.25 0.00 0.00 42.46 42.03 1u6s s ILE 26 CO 0.00 -0.16 1.17 -0.62 0.24 0.00 0.00 174.94 175.57 1u6s s ASP 27 N -2.28 6.24 0.30 4.36 2.15 -1.26 -4.80 116.67 121.39 1u6s s ASP 27 Ca 0.12 -0.90 -0.19 0.00 0.43 0.00 0.00 52.55 52.01 1u6s s ASP 27 Cb -0.08 -2.50 0.06 0.00 -0.30 0.00 0.00 42.92 40.10 1u6s s ASP 27 CO 0.06 -1.59 0.87 -0.55 -0.17 0.00 0.00 175.17 173.79 1u6s s SER 28 N 3.86 -0.02 0.08 -0.34 0.15 -1.26 -5.11 113.70 111.07 1u6s s SER 28 Ca 0.31 -0.93 0.02 0.00 0.70 0.00 0.00 55.95 56.06 1u6s s SER 28 Cb -0.10 0.72 -0.04 0.00 -1.71 0.00 0.00 66.02 64.89 1u6s s SER 28 CO 0.08 -1.41 -0.07 -0.94 1.20 0.00 0.00 173.24 172.10 1u6s s SER 29 N -3.16 1.12 0.23 5.45 1.04 -1.26 -4.98 113.70 112.13 1u6s s SER 29 Ca 0.17 -0.87 -0.08 0.00 0.48 0.00 0.00 55.95 55.65 1u6s s SER 29 Cb -0.04 0.07 0.21 0.00 0.10 0.00 0.00 66.02 66.36 1u6s s SER 29 CO 0.09 -0.38 1.90 -0.78 0.98 0.00 0.00 173.24 175.05 1u6s h ASP 30 N 3.41 0.96 -0.24 7.02 3.58 -1.98 -2.16 116.42 127.01 1u6s h ASP 30 Ca -0.36 -0.02 -0.00 0.00 0.42 0.00 0.00 57.03 57.07 1u6s h ASP 30 Cb 1.18 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 41.98 1u6s h ASP 30 CO 0.57 0.69 0.14 -0.08 -2.88 0.00 0.00 179.24 177.68 1u6s h GLU 31 N 1.13 0.33 0.31 0.28 4.81 -1.97 -1.58 114.58 117.89 1u6s h GLU 31 Ca 0.32 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.51 1u6s h GLU 31 Cb -0.10 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.20 1u6s h GLU 31 CO -0.08 0.29 -0.22 2.35 -0.73 0.00 0.00 179.01 180.62 1u6s h TRP 32 N 0.28 -0.59 -0.44 0.92 7.01 -1.93 -1.52 115.95 119.69 1u6s h TRP 32 Ca 0.09 -0.00 0.08 0.00 2.11 0.00 0.00 58.89 61.17 1u6s h TRP 32 Cb 0.05 0.22 -0.07 0.00 -2.10 0.00 0.00 29.16 27.25 1u6s h TRP 32 CO -0.04 -0.34 -0.03 0.82 -2.79 0.00 0.00 178.44 176.06 1u6s h ILE 33 N -0.53 0.64 -0.04 2.65 2.04 -1.35 -0.34 117.51 120.57 1u6s h ILE 33 Ca -0.02 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 65.81 1u6s h ILE 33 Cb 0.46 0.55 -0.00 0.00 -0.74 0.00 0.00 36.82 37.09 1u6s h ILE 33 CO 0.00 0.01 0.03 0.22 0.00 0.00 0.00 178.15 178.41 1u6s h TYR 34 N 0.08 0.05 0.00 1.37 5.03 -1.14 0.89 116.97 123.25 1u6s h TYR 34 Ca 0.22 0.00 -0.00 0.00 2.58 0.00 0.00 58.73 61.53 1u6s h TYR 34 Cb 0.32 -0.02 -0.00 0.00 1.55 0.00 0.00 36.73 38.58 1u6s h TYR 34 CO -0.31 0.03 -0.01 1.79 -1.32 0.00 0.00 178.16 178.35 1u6s h THR 35 N 0.05 0.02 0.00 1.81 1.35 -0.97 0.38 112.91 115.56 1u6s h THR 35 Ca 0.01 -0.52 -0.31 0.00 -0.55 0.00 0.00 66.41 65.04 1u6s h THR 35 Cb -0.00 1.50 -0.06 0.00 -1.73 0.00 0.00 68.15 67.86 1u6s h THR 35 CO -0.00 0.01 -1.93 0.54 -0.25 0.00 0.00 175.52 173.88 1u6s n ARG 36 N -3.10 0.65 0.00 4.72 3.00 -0.17 -4.68 116.66 117.08 1u6s n ARG 36 Ca 0.00 0.19 0.00 0.00 -0.01 0.00 0.00 57.85 58.04 1u6s n ARG 36 Cb 0.30 -1.70 0.00 0.00 0.00 0.00 0.00 32.46 31.06 1u6s n ARG 36 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.63 177.88 1u6s n THR 37 N -2.94 0.00 -0.53 0.55 -2.24 0.27 -4.62 114.28 104.77 1u6s n THR 37 Ca -0.22 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.56 1u6s n THR 37 Cb 1.08 -0.44 0.00 0.00 -2.10 0.00 0.00 70.33 68.87 1u6s n THR 37 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1u6s n GLY 38 N 2.62 0.75 3.76 3.38 0.00 0.13 -0.34 105.19 115.49 1u6s n GLY 38 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 1u6s n GLY 38 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1u6s s ILE 39 N -2.55 4.92 -0.17 -0.61 1.01 -1.26 -3.93 121.20 118.61 1u6s s ILE 39 Ca 0.00 1.22 -0.05 0.00 0.00 0.00 0.00 60.65 61.82 1u6s s ILE 39 Cb 0.00 -3.92 -0.09 0.00 0.01 0.00 0.00 42.46 38.47 1u6s s ILE 39 CO 0.00 0.42 -0.19 0.29 0.00 0.00 0.00 174.94 175.46 1u6s n LYS 40 N 2.71 0.38 -4.08 2.79 5.02 0.16 -3.72 118.16 121.42 1u6s n LYS 40 Ca -0.07 0.13 -0.11 0.00 -2.02 0.00 0.00 58.31 56.24 1u6s n LYS 40 Cb 0.51 -1.19 -0.06 0.00 -0.02 0.00 0.00 35.03 34.27 1u6s n LYS 40 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1u6s s THR 41 N -2.32 0.00 0.11 -0.18 -4.23 -0.74 -3.32 115.64 104.96 1u6s s THR 41 Ca -0.23 -1.62 -0.11 0.00 -1.18 0.00 0.00 61.69 58.55 1u6s s THR 41 Cb 0.08 -2.40 0.01 0.00 1.34 0.00 0.00 72.50 71.53 1u6s s THR 41 CO 0.33 0.00 0.27 0.00 -0.54 0.00 0.00 174.62 174.68 1u6s s ARG 42 N -3.78 0.95 -0.13 3.99 3.03 -0.97 -3.17 118.95 118.86 1u6s s ARG 42 Ca 0.29 -0.88 -0.10 0.00 2.03 0.00 0.00 55.73 57.07 1u6s s ARG 42 Cb 0.01 0.39 -0.05 0.00 -1.03 0.00 0.00 34.95 34.28 1u6s s ARG 42 CO 0.13 -0.33 0.20 1.03 -1.13 0.00 0.00 175.30 175.20 1u6s s ARG 43 N -3.85 3.84 -0.10 3.89 1.81 -1.26 -0.45 118.95 122.83 1u6s s ARG 43 Ca 0.05 -0.04 0.01 0.00 -1.72 0.00 0.00 55.73 54.03 1u6s s ARG 43 Cb 0.04 -3.29 -0.02 0.00 -0.45 0.00 0.00 34.95 31.22 1u6s s ARG 43 CO -0.11 0.55 -0.12 -0.06 -0.68 0.00 0.00 175.30 174.89 1u6s s PHE 44 N -0.42 2.81 0.71 -0.53 0.40 -0.87 -1.08 117.98 119.00 1u6s s PHE 44 Ca 0.15 -0.38 -0.11 0.00 -0.60 0.00 0.00 56.93 55.99 1u6s s PHE 44 Cb -0.13 -1.77 0.01 0.00 0.51 0.00 0.00 43.02 41.65 1u6s s PHE 44 CO 0.04 -0.01 1.07 0.00 0.70 0.00 0.00 175.22 177.02 1u6s s ALA 45 N -0.12 2.68 0.89 5.36 0.00 -1.26 -3.90 121.76 125.40 1u6s s ALA 45 Ca -0.01 -0.07 -0.12 0.00 0.00 0.00 0.00 51.96 51.77 1u6s s ALA 45 Cb -0.14 -3.12 0.12 0.00 0.00 0.00 0.00 23.12 19.99 1u6s s ALA 45 CO 0.03 -1.24 1.12 0.00 0.00 0.00 0.00 175.76 175.67 1u6s s ALA 46 N -3.13 1.81 0.25 0.00 0.00 -1.26 -4.95 121.76 114.47 1u6s s ALA 46 Ca 0.58 -0.39 -0.05 0.00 0.00 0.00 0.00 51.96 52.11 1u6s s ALA 46 Cb -0.13 -3.07 0.28 0.00 0.00 0.00 0.00 23.12 20.19 1u6s s ALA 46 CO 0.54 -2.19 1.81 -0.44 0.00 0.00 0.00 175.76 175.48 1u6s h ASP 47 N -1.43 0.96 0.00 0.00 3.32 -2.05 -2.29 116.42 114.94 1u6s h ASP 47 Ca -0.50 -0.15 0.00 0.00 0.02 0.00 0.00 57.03 56.40 1u6s h ASP 47 Cb 1.31 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 40.61 1u6s h ASP 47 CO 0.60 0.87 0.00 -0.90 -1.72 0.00 0.00 179.24 178.09 1u6s n ASP 48 N -4.28 0.00 -4.82 6.45 5.75 -1.26 -4.80 116.55 113.59 1u6s n ASP 48 Ca 0.06 -0.87 -0.25 0.00 -0.01 0.00 0.00 54.79 53.71 1u6s n ASP 48 Cb 0.19 0.00 -0.05 0.00 -1.03 0.00 0.00 41.12 40.23 1u6s n ASP 48 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 1u6s s GLU 49 N -2.00 2.96 0.27 0.11 2.02 -0.86 -5.06 118.70 116.13 1u6s s GLU 49 Ca 0.25 -0.88 0.02 0.00 0.02 0.00 0.00 54.97 54.38 1u6s s GLU 49 Cb 0.12 -2.66 -0.03 0.00 0.10 0.00 0.00 34.13 31.65 1u6s s GLU 49 CO 0.19 0.47 0.23 -1.54 0.02 0.00 0.00 175.26 174.64 1u6s s SER 50 N -3.25 0.81 0.24 -0.19 1.04 -1.26 -4.87 113.70 106.23 1u6s s SER 50 Ca 0.32 -1.53 -0.05 0.00 0.48 0.00 0.00 55.95 55.17 1u6s s SER 50 Cb -0.10 0.48 0.26 0.00 0.10 0.00 0.00 66.02 66.77 1u6s s SER 50 CO 0.24 -0.98 1.84 0.00 0.98 0.00 0.00 173.24 175.32 1u6s h ALA 51 N 2.37 1.16 -0.36 5.32 0.00 -1.90 -2.23 119.26 123.62 1u6s h ALA 51 Ca -0.30 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.36 1u6s h ALA 51 Cb 1.24 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 1u6s h ALA 51 CO 0.44 0.63 -0.10 0.00 0.00 0.00 0.00 179.25 180.22 1u6s h ALA 52 N 1.28 0.50 -0.28 0.00 0.00 -1.94 -2.11 119.26 116.70 1u6s h ALA 52 Ca 0.27 -0.31 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 1u6s h ALA 52 Cb 0.14 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1u6s h ALA 52 CO -0.03 0.36 -0.05 0.66 0.00 0.00 0.00 179.25 180.19 1u6s h SER 53 N 0.50 0.53 -0.22 0.00 4.64 -1.92 -1.75 113.55 115.33 1u6s h SER 53 Ca 0.09 -0.35 -0.07 0.00 -0.47 0.00 0.00 61.79 60.98 1u6s h SER 53 Cb 0.62 -0.15 -0.02 0.00 -0.31 0.00 0.00 62.40 62.54 1u6s h SER 53 CO 0.04 0.76 -0.08 0.24 -0.87 0.00 0.00 176.83 176.92 1u6s h MET 54 N 0.30 0.58 -0.74 4.77 0.00 -1.49 -2.50 114.93 115.84 1u6s h MET 54 Ca 0.07 -0.16 0.01 0.00 0.00 0.00 0.00 59.70 59.62 1u6s h MET 54 Cb 0.52 -0.07 -0.04 0.00 0.00 0.00 0.00 31.60 32.02 1u6s h MET 54 CO 0.03 0.66 0.49 0.00 0.00 0.00 0.00 176.91 178.08 1u6s h ALA 55 N 1.38 0.94 -0.13 6.32 0.00 -1.15 -1.07 119.26 125.55 1u6s h ALA 55 Ca 0.10 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1u6s h ALA 55 Cb 0.47 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1u6s h ALA 55 CO 0.02 0.35 0.08 1.15 0.00 0.00 0.00 179.25 180.85 1u6s h THR 56 N 1.00 1.07 -0.49 0.00 2.02 -1.01 0.03 112.91 115.52 1u6s h THR 56 Ca 0.27 -0.17 0.04 0.00 0.77 0.00 0.00 66.41 67.33 1u6s h THR 56 Cb -0.11 0.94 -0.04 0.00 -1.74 0.00 0.00 68.15 67.20 1u6s h THR 56 CO -0.06 0.06 0.25 -0.33 0.37 0.00 0.00 175.52 175.80 1u6s h GLU 57 N 0.14 0.47 -0.55 6.66 4.39 -1.28 -0.01 114.58 124.40 1u6s h GLU 57 Ca 0.05 -0.03 0.02 0.00 0.34 0.00 0.00 59.36 59.74 1u6s h GLU 57 Cb 0.03 -0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 28.54 1u6s h GLU 57 CO -0.01 0.31 0.33 0.00 -1.16 0.00 0.00 179.01 178.49 1u6s h ALA 58 N 1.26 0.70 -0.23 3.43 0.00 -0.90 -1.33 119.26 122.20 1u6s h ALA 58 Ca 0.21 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 1u6s h ALA 58 Cb 0.12 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1u6s h ALA 58 CO -0.15 0.06 0.13 0.00 0.00 0.00 0.00 179.25 179.29 1u6s h ARG 60 N 0.27 0.73 -0.23 0.00 2.47 -0.51 0.11 114.38 117.22 1u6s h ARG 60 Ca 0.08 -0.04 -0.18 0.00 -1.26 0.00 0.00 59.98 58.57 1u6s h ARG 60 Cb 0.03 -0.16 -0.00 0.00 -1.65 0.00 0.00 29.97 28.19 1u6s h ARG 60 CO -0.01 0.48 -0.59 0.00 0.56 0.00 0.00 179.97 180.41 1u6s h ARG 61 N 0.75 0.75 -0.47 0.04 3.08 -1.03 -1.96 114.38 115.54 1u6s h ARG 61 Ca 0.47 -0.49 -0.13 0.00 0.07 0.00 0.00 59.98 59.90 1u6s h ARG 61 Cb 0.59 0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.70 1u6s h ARG 61 CO -0.32 1.12 -0.20 0.00 -1.07 0.00 0.00 179.97 179.49 1u6s h ALA 62 N 0.77 0.74 -0.36 0.04 0.00 -0.25 -1.10 119.26 119.10 1u6s h ALA 62 Ca 0.00 -0.38 -0.02 0.00 0.00 0.00 0.00 54.91 54.51 1u6s h ALA 62 Cb 1.18 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 1u6s h ALA 62 CO 0.12 0.67 0.16 -0.07 0.00 0.00 0.00 179.25 180.13 1u6s h LEU 63 N 0.83 0.49 -0.33 0.00 3.38 -0.80 -1.83 115.31 117.05 1u6s h LEU 63 Ca 0.11 -0.15 0.04 0.00 0.09 0.00 0.00 57.88 57.98 1u6s h LEU 63 Cb 0.77 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.35 1u6s h LEU 63 CO 0.06 0.51 0.08 -1.28 0.09 0.00 0.00 178.44 177.90 1u6s h SER 64 N 0.45 0.05 0.55 -0.43 0.87 -1.17 -0.93 113.55 112.93 1u6s h SER 64 Ca 0.12 0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.73 1u6s h SER 64 Cb 0.16 0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.18 1u6s h SER 64 CO -0.01 0.06 0.00 0.78 -0.53 0.00 0.00 176.83 177.13 1u6s h ASN 65 N 0.20 0.00 0.01 6.23 4.21 -1.00 -1.47 115.58 123.77 1u6s h ASN 65 Ca 0.15 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.66 1u6s h ASN 65 Cb 0.16 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.36 1u6s h ASN 65 CO -0.19 0.00 -0.77 0.00 -1.29 0.00 0.00 177.43 175.18 1u6s n ALA 66 N -1.84 4.25 -3.25 -0.83 0.00 -0.70 -4.84 120.51 113.29 1u6s n ALA 66 Ca 0.01 -0.61 -0.20 0.00 0.00 0.00 0.00 53.44 52.64 1u6s n ALA 66 Cb 0.18 -0.79 0.06 0.00 0.00 0.00 0.00 19.45 18.90 1u6s n ALA 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1u6s n GLY 67 N 1.47 -0.30 3.47 0.00 0.00 -0.51 -5.03 105.19 104.29 1u6s n GLY 67 Ca 0.06 0.06 -0.23 0.00 0.00 0.00 0.00 46.02 45.91 1u6s n GLY 67 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1u6s s LEU 68 N -6.06 2.58 0.41 0.99 1.43 -0.47 -5.04 118.68 112.52 1u6s s LEU 68 Ca 0.42 -1.19 0.07 0.00 -1.03 0.00 0.00 54.13 52.40 1u6s s LEU 68 Cb -0.18 -0.79 -0.07 0.00 0.03 0.00 0.00 46.19 45.18 1u6s s LEU 68 CO 0.51 -0.27 0.07 -0.94 0.23 0.00 0.00 176.35 175.95 1u6s s SER 69 N -3.51 4.06 0.33 2.29 1.04 -1.26 -4.23 113.70 112.42 1u6s s SER 69 Ca 0.31 -1.29 0.12 0.00 0.48 0.00 0.00 55.95 55.56 1u6s s SER 69 Cb 0.03 -0.39 1.00 0.00 0.10 0.00 0.00 66.02 66.76 1u6s s SER 69 CO 0.14 -0.50 1.66 0.00 0.98 0.00 0.00 173.24 175.52 1u6s h ALA 70 N 1.64 1.79 -0.24 5.32 0.00 -1.94 0.91 119.26 126.74 1u6s h ALA 70 Ca -0.44 0.20 0.07 0.00 0.00 0.00 0.00 54.91 54.75 1u6s h ALA 70 Cb 1.25 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 19.23 1u6s h ALA 70 CO 0.77 -0.55 0.35 0.00 0.00 0.00 0.00 179.25 179.82 1u6s h ALA 71 N 1.84 1.82 0.00 0.00 0.00 -1.91 -0.99 119.26 120.02 1u6s h ALA 71 Ca 0.69 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.59 1u6s h ALA 71 Cb 1.55 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.35 1u6s h ALA 71 CO -0.63 -0.48 -0.26 -0.44 0.00 0.00 0.00 179.25 177.45 1u6s h ASP 72 N 0.00 0.00 -3.23 0.00 3.32 -1.21 -3.46 116.42 111.84 1u6s h ASP 72 Ca 0.12 -0.06 -0.58 0.00 0.02 0.00 0.00 57.03 56.53 1u6s h ASP 72 Cb 0.81 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.31 1u6s h ASP 72 CO -0.00 0.03 -0.07 -0.63 -1.72 0.00 0.00 179.24 176.84 1u6s s ILE 73 N -3.16 4.93 -0.36 0.35 -1.09 -0.38 -4.60 121.20 116.89 1u6s s ILE 73 Ca 0.08 1.12 0.19 0.00 -2.23 0.00 0.00 60.65 59.80 1u6s s ILE 73 Cb 0.11 -3.86 -0.26 0.00 -1.58 0.00 0.00 42.46 36.86 1u6s s ILE 73 CO 0.66 0.47 0.57 0.47 -1.23 0.00 0.00 174.94 175.88 1u6s n ASP 74 N 2.42 0.70 -3.55 3.58 9.92 0.10 -4.95 116.55 124.77 1u6s n ASP 74 Ca -0.09 -0.37 -0.09 0.00 -0.53 0.00 0.00 54.79 53.71 1u6s n ASP 74 Cb 0.51 1.54 -0.04 0.00 -0.64 0.00 0.00 41.12 42.49 1u6s n ASP 74 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 1u6s s GLY 75 N -3.65 -0.35 -0.07 0.44 0.00 -1.23 -3.23 107.32 99.23 1u6s s GLY 75 Ca -0.02 1.59 0.01 0.00 0.00 0.00 0.00 44.72 46.30 1u6s s GLY 75 CO 0.79 0.71 -0.06 0.54 0.00 0.00 0.00 173.10 175.08 1u6s s VAL 76 N -2.02 0.74 -0.26 1.40 0.11 -0.75 -0.87 120.40 118.76 1u6s s VAL 76 Ca 0.02 -0.20 -0.07 0.00 -2.93 0.00 0.00 61.98 58.80 1u6s s VAL 76 Cb -0.01 -0.75 -0.02 0.00 -1.53 0.00 0.00 36.38 34.07 1u6s s VAL 76 CO -0.03 0.29 0.07 -0.63 -3.33 0.00 0.00 175.10 171.47 1u6s s ILE 77 N 1.17 4.27 -0.19 7.04 1.01 -0.43 -2.94 121.20 131.13 1u6s s ILE 77 Ca -0.06 -0.25 -0.15 0.00 0.00 0.00 0.00 60.65 60.18 1u6s s ILE 77 Cb -0.14 -3.03 -0.04 0.00 0.01 0.00 0.00 42.46 39.26 1u6s s ILE 77 CO -0.01 0.30 0.36 -0.69 0.00 0.00 0.00 174.94 174.89 1u6s s VAL 78 N 1.60 5.24 -0.12 2.92 1.01 -0.70 -2.09 120.40 128.26 1u6s s VAL 78 Ca 0.06 0.64 0.01 0.00 0.00 0.00 0.00 61.98 62.69 1u6s s VAL 78 Cb -0.15 -3.69 -0.01 0.00 0.00 0.00 0.00 36.38 32.52 1u6s s VAL 78 CO 0.03 0.29 -0.16 0.28 0.00 0.00 0.00 175.10 175.55 1u6s s THR 79 N 1.07 2.78 -0.03 3.92 -1.32 -0.26 -0.64 115.64 121.16 1u6s s THR 79 Ca 0.18 -0.77 -0.30 0.00 -1.21 0.00 0.00 61.69 59.59 1u6s s THR 79 Cb -0.14 -2.14 0.11 0.00 -1.51 0.00 0.00 72.50 68.82 1u6s s THR 79 CO 0.07 0.54 1.10 0.28 -2.21 0.00 0.00 174.62 174.39 1u6s s THR 80 N 0.28 0.00 0.00 5.08 -1.32 -1.16 -1.73 115.64 116.79 1u6s s THR 80 Ca -0.12 -0.20 0.00 0.00 -1.21 0.00 0.00 61.69 60.16 1u6s s THR 80 Cb -0.16 -1.47 0.00 0.00 -1.51 0.00 0.00 72.50 69.36 1u6s s THR 80 CO 0.06 0.00 0.48 0.59 -2.21 0.00 0.00 174.62 173.54 1u6s n ASN 81 N -0.31 0.85 -0.73 8.08 3.02 -1.26 -4.42 115.26 120.48 1u6s n ASN 81 Ca -0.06 -1.20 0.05 0.00 -0.03 0.00 0.00 54.58 53.35 1u6s n ASN 81 Cb 0.61 0.00 0.12 0.00 -0.61 0.00 0.00 39.78 39.89 1u6s n ASN 81 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1u6s n THR 82 N -0.10 1.25 -2.59 3.41 -2.24 -1.26 -4.94 114.28 107.81 1u6s n THR 82 Ca 0.00 -2.01 -0.43 0.00 -2.27 0.00 0.00 64.05 59.34 1u6s n THR 82 Cb 0.17 0.20 -0.02 0.00 -2.10 0.00 0.00 70.33 68.58 1u6s n THR 82 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 1u6s s HIS 83 N -1.85 2.75 -0.26 4.78 5.04 -1.26 -4.50 115.29 119.99 1u6s s HIS 83 Ca 0.31 0.64 -0.01 0.00 -1.54 0.00 0.00 55.06 54.46 1u6s s HIS 83 Cb 0.31 -4.46 0.17 0.00 0.04 0.00 0.00 32.58 28.64 1u6s s HIS 83 CO -0.07 -1.37 2.05 1.19 -2.34 0.00 0.00 174.74 174.19 1u6s n PHE 84 N 8.03 1.26 -3.85 3.88 3.01 -1.26 -4.75 117.46 123.77 1u6s n PHE 84 Ca 0.11 -1.79 -0.16 0.00 1.01 0.00 0.00 57.45 56.63 1u6s n PHE 84 Cb 0.49 -0.89 -0.16 0.00 -0.01 0.00 0.00 39.48 38.91 1u6s n PHE 84 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1u6s s LEU 85 N -1.49 1.21 0.27 4.37 1.43 -1.26 -5.02 118.68 118.19 1u6s s LEU 85 Ca 0.26 0.01 -0.03 0.00 -1.03 0.00 0.00 54.13 53.34 1u6s s LEU 85 Cb 0.20 -0.13 0.38 0.00 0.03 0.00 0.00 46.19 46.67 1u6s s LEU 85 CO -0.01 -0.10 1.93 1.56 0.23 0.00 0.00 176.35 179.96 1u6s h GLN 86 N 7.15 1.18 -2.65 1.70 1.08 -2.05 -3.45 115.11 118.07 1u6s h GLN 86 Ca -0.43 -0.07 -0.01 0.00 -1.45 0.00 0.00 58.65 56.69 1u6s h GLN 86 Cb 1.13 -0.27 -0.14 0.00 -0.05 0.00 0.00 27.48 28.16 1u6s h GLN 86 CO 0.48 0.78 0.25 -0.08 -0.95 0.00 0.00 178.83 179.32 1u6s s THR 87 N -6.02 0.00 0.75 -0.54 -1.32 -1.26 -4.79 115.64 102.46 1u6s s THR 87 Ca -0.12 0.00 -0.11 0.00 -1.21 0.00 0.00 61.69 60.24 1u6s s THR 87 Cb 0.19 -1.00 0.04 0.00 -1.51 0.00 0.00 72.50 70.22 1u6s s THR 87 CO 0.81 0.00 1.09 -2.16 -2.21 0.00 0.00 174.62 172.15 1u6s s PRO 88 N -3.04 2.52 0.80 7.08 0.04 -1.26 -5.13 135.00 136.00 1u6s s PRO 88 Ca -0.01 0.60 -0.11 0.00 0.04 0.00 0.00 61.00 61.52 1u6s s PRO 88 Cb -0.01 -1.97 0.08 0.00 0.04 0.00 0.00 34.50 32.64 1u6s s PRO 88 CO -0.07 -1.31 1.13 -2.14 0.04 0.00 0.00 177.00 174.65 1u6s s PRO 89 N -5.23 1.86 0.11 0.56 0.02 -1.26 -4.92 135.00 126.15 1u6s s PRO 89 Ca 0.59 1.42 -0.08 0.00 0.02 0.00 0.00 61.00 62.95 1u6s s PRO 89 Cb -0.13 -1.83 -0.14 0.00 0.02 0.00 0.00 34.50 32.42 1u6s s PRO 89 CO 0.53 -1.98 1.27 0.00 -0.33 0.00 0.00 177.00 176.50 1u6s h ALA 90 N -1.14 0.30 -0.19 -1.55 0.00 -1.95 -3.38 119.26 111.35 1u6s h ALA 90 Ca -0.44 -0.70 0.05 0.00 0.00 0.00 0.00 54.91 53.82 1u6s h ALA 90 Cb 1.26 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.98 1u6s h ALA 90 CO 0.48 0.77 -0.31 0.00 0.00 0.00 0.00 179.25 180.18 1u6s h ALA 91 N 0.63 -0.32 -0.92 0.00 0.00 -1.91 -0.28 119.26 116.46 1u6s h ALA 91 Ca -0.09 0.04 0.07 0.00 0.00 0.00 0.00 54.91 54.93 1u6s h ALA 91 Cb 1.60 0.62 -0.06 0.00 0.00 0.00 0.00 17.79 19.95 1u6s h ALA 91 CO 0.18 -0.77 0.60 -1.35 0.00 0.00 0.00 179.25 177.90 1u6s h PRO 92 N -0.36 1.01 0.06 0.00 0.11 -1.87 -0.15 132.00 130.81 1u6s h PRO 92 Ca 0.11 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 66.16 1u6s h PRO 92 Cb 0.54 -0.23 0.00 0.00 0.11 0.00 0.00 31.00 31.42 1u6s h PRO 92 CO -0.39 0.67 -0.03 0.52 -0.21 0.00 0.00 178.00 178.56 1u6s h MET 93 N 1.04 -0.08 -0.54 1.05 2.86 -1.51 -1.15 114.93 116.59 1u6s h MET 93 Ca 0.40 0.01 0.08 0.00 -2.06 0.00 0.00 59.70 58.13 1u6s h MET 93 Cb 0.22 0.02 -0.07 0.00 0.06 0.00 0.00 31.60 31.83 1u6s h MET 93 CO -0.15 -0.05 0.16 0.28 1.06 0.00 0.00 176.91 178.21 1u6s h VAL 94 N -0.10 0.76 -0.29 -2.22 2.07 -0.56 -1.80 116.25 114.12 1u6s h VAL 94 Ca -0.01 -0.11 0.02 0.00 0.82 0.00 0.00 66.70 67.42 1u6s h VAL 94 Cb 0.08 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 30.23 1u6s h VAL 94 CO 0.01 0.06 0.15 0.00 0.02 0.00 0.00 177.57 177.81 1u6s h ALA 95 N 1.39 0.36 -0.80 1.67 0.00 -0.73 -1.55 119.26 119.60 1u6s h ALA 95 Ca 0.27 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.15 1u6s h ALA 95 Cb 0.33 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.04 1u6s h ALA 95 CO -0.30 -0.24 0.35 0.00 0.00 0.00 0.00 179.25 179.06 1u6s h ALA 96 N 1.15 1.04 0.00 0.00 0.00 -0.98 -0.50 119.26 119.96 1u6s h ALA 96 Ca 0.12 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1u6s h ALA 96 Cb 0.04 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.51 1u6s h ALA 96 CO -0.08 0.64 -0.13 0.77 0.00 0.00 0.00 179.25 180.45 1u6s h SER 97 N 1.15 0.00 0.90 0.00 0.02 -1.03 -2.37 113.55 112.23 1u6s h SER 97 Ca 0.27 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.22 1u6s h SER 97 Cb 0.18 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.72 1u6s h SER 97 CO -0.03 0.13 -0.25 0.18 -1.14 0.00 0.00 176.83 175.73 1u6s n LEU 98 N -3.59 0.38 0.00 5.07 4.77 -0.61 -4.92 117.00 118.10 1u6s n LEU 98 Ca -0.02 0.32 0.00 0.00 -0.03 0.00 0.00 56.01 56.28 1u6s n LEU 98 Cb 0.26 -0.35 0.00 0.00 -2.33 0.00 0.00 43.42 41.00 1u6s n LEU 98 CO 0.30 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.97 1u6s n GLY 99 N 1.45 0.72 2.57 -0.72 0.00 -0.89 -4.61 105.19 103.71 1u6s n GLY 99 Ca 0.06 -0.41 -0.23 0.00 0.00 0.00 0.00 46.02 45.44 1u6s n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u6s n ALA 100 N -0.57 3.45 0.33 4.61 0.00 -0.26 -4.82 120.51 123.25 1u6s n ALA 100 Ca 0.00 -4.12 0.22 0.00 0.00 0.00 0.00 53.44 49.54 1u6s n ALA 100 Cb 0.00 -0.82 1.17 0.00 0.00 0.00 0.00 19.45 19.79 1u6s n ALA 100 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 1u6s h LYS 101 N 3.10 0.00 0.00 0.00 2.10 -1.81 -3.07 116.57 116.89 1u6s h LYS 101 Ca 0.12 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.77 1u6s h LYS 101 Cb 0.72 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.05 1u6s h LYS 101 CO 0.67 0.00 -0.96 0.78 -2.00 0.00 0.00 179.45 177.95 1u6s h GLY 102 N 0.06 0.00 -2.02 0.07 0.00 -1.93 -3.43 103.07 95.82 1u6s h GLY 102 Ca -0.00 0.00 -0.52 0.00 0.00 0.00 0.00 47.33 46.81 1u6s h GLY 102 CO 0.00 0.00 0.45 -0.26 0.00 0.00 0.00 176.54 176.73 1u6s s ILE 103 N -3.35 2.71 0.98 2.60 -4.36 -1.16 -5.00 121.20 113.62 1u6s s ILE 103 Ca -0.00 0.42 -0.11 0.00 -0.26 0.00 0.00 60.65 60.70 1u6s s ILE 103 Cb 0.10 -3.12 0.18 0.00 1.25 0.00 0.00 42.46 40.86 1u6s s ILE 103 CO 0.78 -0.12 1.09 -1.48 0.24 0.00 0.00 174.94 175.46 1u6s s LEU 104 N -4.23 2.12 0.00 0.37 0.05 -1.20 -4.85 118.68 110.95 1u6s s LEU 104 Ca 0.76 1.81 0.00 0.00 0.05 0.00 0.00 54.13 56.75 1u6s s LEU 104 Cb -0.29 -4.08 0.00 0.00 -2.05 0.00 0.00 46.19 39.77 1u6s s LEU 104 CO 0.34 -3.27 0.00 0.61 -0.55 0.00 0.00 176.35 173.49 1u6s n GLY 105 N -0.00 2.54 3.66 -3.48 0.00 -1.26 -1.81 105.19 104.85 1u6s n GLY 105 Ca 0.08 -0.86 -0.09 0.00 0.00 0.00 0.00 46.02 45.15 1u6s n GLY 105 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1u6s s PHE 106 N -2.00 -0.05 -0.08 1.61 -0.71 -1.15 -4.78 117.98 110.82 1u6s s PHE 106 Ca 0.00 -0.34 -0.09 0.00 -1.04 0.00 0.00 56.93 55.46 1u6s s PHE 106 Cb 0.00 0.47 -0.05 0.00 -1.21 0.00 0.00 43.02 42.23 1u6s s PHE 106 CO 0.00 -1.06 0.22 -0.51 -1.34 0.00 0.00 175.22 172.54 1u6s s ASP 107 N -2.92 6.52 -0.10 1.98 1.11 -1.26 -1.72 116.67 120.28 1u6s s ASP 107 Ca 0.13 0.62 0.01 0.00 0.18 0.00 0.00 52.55 53.49 1u6s s ASP 107 Cb -0.03 -2.12 0.02 0.00 1.07 0.00 0.00 42.92 41.86 1u6s s ASP 107 CO 0.03 0.38 -0.12 -0.22 1.18 0.00 0.00 175.17 176.42 1u6s s LEU 108 N -1.07 1.54 -0.07 1.23 0.20 0.18 -4.96 118.68 115.73 1u6s s LEU 108 Ca 0.18 -0.36 0.05 0.00 0.69 0.00 0.00 54.13 54.69 1u6s s LEU 108 Cb -0.13 -0.94 -0.01 0.00 -0.43 0.00 0.00 46.19 44.67 1u6s s LEU 108 CO 0.07 -0.02 -0.22 -0.44 -0.29 0.00 0.00 176.35 175.45 1u6s s SER 109 N 1.13 3.32 -0.34 3.68 0.01 -1.26 -2.98 113.70 117.25 1u6s s SER 109 Ca -0.05 -0.46 0.05 0.00 1.31 0.00 0.00 55.95 56.81 1u6s s SER 109 Cb -0.14 -1.04 0.23 0.00 0.21 0.00 0.00 66.02 65.28 1u6s s SER 109 CO -0.03 0.23 1.20 0.00 0.41 0.00 0.00 173.24 175.06 1u6s n ALA 110 N 3.04 -0.44 -0.84 1.44 0.00 -1.26 -4.98 120.51 117.47 1u6s n ALA 110 Ca -0.18 -0.84 0.00 0.00 0.00 0.00 0.00 53.44 52.42 1u6s n ALA 110 Cb 0.52 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.99 1u6s n ALA 110 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1u6s n GLY 111 N -0.59 2.17 0.07 0.00 0.00 -1.26 -1.96 105.19 103.62 1u6s n GLY 111 Ca -0.15 -0.43 0.11 0.00 0.00 0.00 0.00 46.02 45.56 1u6s n GLY 111 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u6s n ALA 112 N 7.16 1.94 1.34 4.61 0.00 -1.26 -2.69 120.51 131.61 1u6s n ALA 112 Ca 0.00 -0.01 0.14 0.00 0.00 0.00 0.00 53.44 53.57 1u6s n ALA 112 Cb 0.00 -1.39 0.73 0.00 0.00 0.00 0.00 19.45 18.79 1u6s n ALA 112 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1u6s n ALA 113 N -1.65 2.43 -0.36 0.00 0.00 -0.83 -4.10 120.51 116.00 1u6s n ALA 113 Ca 0.04 -0.13 0.04 0.00 0.00 0.00 0.00 53.44 53.39 1u6s n ALA 113 Cb 0.28 -1.48 0.21 0.00 0.00 0.00 0.00 19.45 18.47 1u6s n ALA 113 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1u6s h GLY 114 N 4.87 1.55 0.98 0.00 0.00 -1.40 -1.71 103.07 107.35 1u6s h GLY 114 Ca 0.00 -0.45 -0.01 0.00 0.00 0.00 0.00 47.33 46.87 1u6s h GLY 114 CO 0.00 0.27 0.25 -2.75 0.00 0.00 0.00 176.54 174.31 1u6s h PHE 115 N 1.10 0.60 -0.73 5.60 3.57 -1.74 0.18 116.94 125.51 1u6s h PHE 115 Ca 0.45 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.93 1u6s h PHE 115 Cb 0.29 -0.19 -0.03 0.00 2.79 0.00 0.00 35.95 38.80 1u6s h PHE 115 CO -0.00 0.45 0.42 0.78 -2.23 0.00 0.00 178.31 177.72 1u6s h GLY 116 N 0.58 1.08 1.10 2.40 0.00 -1.68 0.28 103.07 106.84 1u6s h GLY 116 Ca 0.16 -0.48 -0.16 0.00 0.00 0.00 0.00 47.33 46.85 1u6s h GLY 116 CO -0.03 0.46 -0.41 -0.97 0.00 0.00 0.00 176.54 175.60 1u6s h TYR 117 N 1.01 1.07 -0.38 5.60 0.05 -1.13 -2.10 116.97 121.09 1u6s h TYR 117 Ca 0.26 -0.34 -0.11 0.00 0.05 0.00 0.00 58.73 58.59 1u6s h TYR 117 Cb 0.01 -0.22 -0.01 0.00 1.01 0.00 0.00 36.73 37.52 1u6s h TYR 117 CO -0.01 1.16 -0.20 0.00 -1.05 0.00 0.00 178.16 178.06 1u6s h ALA 118 N 0.74 0.54 0.06 3.88 0.00 -0.45 -0.97 119.26 123.06 1u6s h ALA 118 Ca 0.05 -0.37 -0.00 0.00 0.00 0.00 0.00 54.91 54.59 1u6s h ALA 118 Cb 1.00 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1u6s h ALA 118 CO 0.10 0.49 -0.03 1.25 0.00 0.00 0.00 179.25 181.06 1u6s h LEU 119 N 0.61 -0.07 -1.03 0.00 5.85 -0.45 -0.34 115.31 119.87 1u6s h LEU 119 Ca 0.08 -0.03 0.10 0.00 0.84 0.00 0.00 57.88 58.87 1u6s h LEU 119 Cb 0.76 0.02 -0.08 0.00 0.37 0.00 0.00 40.66 41.73 1u6s h LEU 119 CO 0.06 -0.02 0.64 1.23 -0.34 0.00 0.00 178.44 180.00 1u6s h GLY 120 N -0.12 1.57 0.85 3.75 0.00 -1.36 -1.11 103.07 106.65 1u6s h GLY 120 Ca -0.01 -0.44 -0.04 0.00 0.00 0.00 0.00 47.33 46.84 1u6s h GLY 120 CO 0.01 0.24 -0.01 0.00 0.00 0.00 0.00 176.54 176.79 1u6s h ALA 121 N 1.51 0.33 -0.45 3.60 0.00 -0.76 -0.43 119.26 123.06 1u6s h ALA 121 Ca 0.46 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 55.17 1u6s h ALA 121 Cb 0.35 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 1u6s h ALA 121 CO -0.22 0.07 0.27 0.00 0.00 0.00 0.00 179.25 179.38 1u6s h ALA 122 N 0.80 0.57 -0.41 0.00 0.00 -0.69 -1.04 119.26 118.49 1u6s h ALA 122 Ca 0.07 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.99 1u6s h ALA 122 Cb 0.43 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 1u6s h ALA 122 CO 0.01 -0.04 0.23 0.00 0.00 0.00 0.00 179.25 179.46 1u6s h ALA 123 N 1.19 0.52 -0.17 0.00 0.00 -1.05 0.08 119.26 119.83 1u6s h ALA 123 Ca 0.18 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 1u6s h ALA 123 Cb -0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1u6s h ALA 123 CO -0.07 -0.11 0.09 -0.44 0.00 0.00 0.00 179.25 178.72 1u6s h ASP 124 N 0.46 0.21 -0.36 0.00 3.32 -0.82 -1.37 116.42 117.86 1u6s h ASP 124 Ca 0.17 -0.08 0.02 0.00 0.02 0.00 0.00 57.03 57.16 1u6s h ASP 124 Cb 0.04 -0.05 -0.03 0.00 0.22 0.00 0.00 39.33 39.51 1u6s h ASP 124 CO -0.10 0.23 0.20 -0.03 -1.72 0.00 0.00 179.24 177.83 1u6s h MET 125 N 0.18 0.40 -0.26 3.56 4.05 -0.88 0.18 114.93 122.17 1u6s h MET 125 Ca 0.06 -0.02 -0.01 0.00 -0.28 0.00 0.00 59.70 59.45 1u6s h MET 125 Cb 0.06 -0.09 -0.01 0.00 -0.80 0.00 0.00 31.60 30.76 1u6s h MET 125 CO -0.01 0.27 0.13 0.82 0.23 0.00 0.00 176.91 178.34 1u6s h ILE 126 N 0.42 1.14 -0.39 1.77 2.04 -0.89 0.14 117.51 121.74 1u6s h ILE 126 Ca 0.14 -0.41 -0.02 0.00 1.00 0.00 0.00 64.86 65.58 1u6s h ILE 126 Cb 0.02 0.94 -0.02 0.00 -0.74 0.00 0.00 36.82 37.01 1u6s h ILE 126 CO -0.07 0.14 0.15 0.03 0.00 0.00 0.00 178.15 178.40 1u6s h ARG 127 N 0.29 0.55 0.00 2.37 3.08 -1.03 -1.90 114.38 117.73 1u6s h ARG 127 Ca 0.09 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.07 1u6s h ARG 127 Cb 0.11 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.06 1u6s h ARG 127 CO -0.01 0.46 0.00 0.41 -1.07 0.00 0.00 179.97 179.76 1u6s n GLY 128 N -1.19 -1.32 1.23 0.04 0.00 0.61 0.12 105.19 104.68 1u6s n GLY 128 Ca 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1u6s n GLY 128 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u6s n GLY 129 N 0.53 0.65 0.05 -0.02 0.00 -0.70 -3.76 105.19 101.95 1u6s n GLY 129 Ca 0.04 -0.37 0.14 0.00 0.00 0.00 0.00 46.02 45.83 1u6s n GLY 129 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u6s n GLY 130 N -2.61 -1.18 3.54 -0.02 0.00 -0.05 -4.82 105.19 100.05 1u6s n GLY 130 Ca 0.00 -0.22 -0.08 0.00 0.00 0.00 0.00 46.02 45.71 1u6s n GLY 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u6s s ALA 131 N -2.71 -1.90 -0.23 4.61 0.00 -1.24 -4.95 121.76 115.34 1u6s s ALA 131 Ca 0.22 1.31 -0.01 0.00 0.00 0.00 0.00 51.96 53.48 1u6s s ALA 131 Cb 0.19 -0.07 -0.14 0.00 0.00 0.00 0.00 23.12 23.10 1u6s s ALA 131 CO 0.53 -0.54 -0.22 0.00 0.00 0.00 0.00 175.76 175.53 1u6s n ALA 132 N 0.11 1.50 -3.14 0.00 0.00 -1.26 -4.16 120.51 113.57 1u6s n ALA 132 Ca -0.08 -0.96 -0.14 0.00 0.00 0.00 0.00 53.44 52.26 1u6s n ALA 132 Cb 0.60 0.02 -0.15 0.00 0.00 0.00 0.00 19.45 19.92 1u6s n ALA 132 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1u6s s THR 133 N -2.45 0.06 0.05 0.00 2.01 -1.26 -3.92 115.64 110.13 1u6s s THR 133 Ca -0.31 0.03 -0.00 0.00 0.31 0.00 0.00 61.69 61.71 1u6s s THR 133 Cb 0.09 -0.10 -0.04 0.00 0.01 0.00 0.00 72.50 72.47 1u6s s THR 133 CO 0.50 0.05 -0.04 -0.04 -0.69 0.00 0.00 174.62 174.41 1u6s s MET 134 N 0.32 0.58 -0.17 4.92 1.00 0.77 0.03 119.30 126.74 1u6s s MET 134 Ca -0.03 -1.09 -0.07 0.00 0.00 0.00 0.00 55.69 54.51 1u6s s MET 134 Cb -0.04 0.11 -0.04 0.00 0.00 0.00 0.00 34.83 34.85 1u6s s MET 134 CO -0.01 -0.08 0.06 -0.51 0.00 0.00 0.00 175.02 174.49 1u6s s LEU 135 N -2.57 3.84 -0.21 -0.03 1.43 -0.05 -0.25 118.68 120.84 1u6s s LEU 135 Ca 0.02 0.12 0.01 0.00 -1.03 0.00 0.00 54.13 53.25 1u6s s LEU 135 Cb 0.03 -1.96 0.04 0.00 0.03 0.00 0.00 46.19 44.33 1u6s s LEU 135 CO -0.07 0.21 -0.13 -0.69 0.23 0.00 0.00 176.35 175.90 1u6s s VAL 136 N 0.15 1.88 -0.12 -1.59 1.01 -0.47 -1.31 120.40 119.95 1u6s s VAL 136 Ca 0.05 -1.15 0.03 0.00 0.00 0.00 0.00 61.98 60.90 1u6s s VAL 136 Cb -0.12 -1.90 0.01 0.00 0.00 0.00 0.00 36.38 34.37 1u6s s VAL 136 CO 0.01 0.21 -0.21 0.54 0.00 0.00 0.00 175.10 175.64 1u6s s VAL 137 N 1.29 1.92 -0.17 2.92 0.11 -0.89 -0.40 120.40 125.19 1u6s s VAL 137 Ca -0.02 -0.91 -0.15 0.00 -2.93 0.00 0.00 61.98 57.97 1u6s s VAL 137 Cb -0.16 -1.70 -0.04 0.00 -1.53 0.00 0.00 36.38 32.95 1u6s s VAL 137 CO -0.09 0.53 0.36 -0.83 -3.33 0.00 0.00 175.10 171.74 1u6s s GLY 138 N 0.70 2.20 -0.00 6.54 0.00 -0.00 -1.10 107.32 115.65 1u6s s GLY 138 Ca -0.11 -0.43 -0.03 0.00 0.00 0.00 0.00 44.72 44.15 1u6s s GLY 138 CO 0.02 0.62 0.05 -1.08 0.00 0.00 0.00 173.10 172.70 1u6s s THR 139 N 0.78 0.06 -0.19 0.90 -1.32 -0.71 -0.89 115.64 114.26 1u6s s THR 139 Ca 0.19 -0.47 -0.10 0.00 -1.21 0.00 0.00 61.69 60.10 1u6s s THR 139 Cb -0.14 -0.23 0.07 0.00 -1.51 0.00 0.00 72.50 70.69 1u6s s THR 139 CO 0.06 -0.26 0.46 -0.70 -2.21 0.00 0.00 174.62 171.97 1u6s s GLU 140 N -0.80 0.42 -0.77 7.08 2.56 -0.18 -4.32 118.70 122.70 1u6s s GLU 140 Ca -0.09 0.92 0.03 0.00 0.00 0.00 0.00 54.97 55.83 1u6s s GLU 140 Cb -0.05 0.10 0.20 0.00 2.00 0.00 0.00 34.13 36.38 1u6s s GLU 140 CO 0.00 -0.18 0.63 1.17 -0.56 0.00 0.00 175.26 176.33 1u6s n LYS 141 N 4.55 2.22 0.14 4.30 4.81 -1.26 -1.12 118.16 131.80 1u6s n LYS 141 Ca -0.19 -4.52 0.03 0.00 -0.87 0.00 0.00 58.31 52.76 1u6s n LYS 141 Cb 0.54 -2.33 0.03 0.00 0.02 0.00 0.00 35.03 33.29 1u6s n LYS 141 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 1u6s h LEU 142 N 5.41 0.00 -1.38 3.14 3.38 -1.94 -3.39 115.31 120.53 1u6s h LEU 142 Ca 0.16 0.00 0.13 0.00 0.09 0.00 0.00 57.88 58.26 1u6s h LEU 142 Cb 0.75 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.44 1u6s h LEU 142 CO 0.79 0.46 0.53 0.77 0.09 0.00 0.00 178.44 181.08 1u6s h SER 143 N 0.00 0.59 0.63 -0.43 4.64 -1.86 0.38 113.55 117.50 1u6s h SER 143 Ca -0.01 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1u6s h SER 143 Cb 1.36 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 1u6s h SER 143 CO 0.06 0.32 0.00 -2.65 -0.87 0.00 0.00 176.83 173.69 1u6s n PRO 144 N -4.52 0.04 0.00 4.77 -0.02 -1.26 -2.73 135.00 131.27 1u6s n PRO 144 Ca 0.15 0.24 0.12 0.00 -2.02 0.00 0.00 63.50 61.99 1u6s n PRO 144 Cb 0.43 -1.56 0.20 0.00 -0.02 0.00 0.00 33.50 32.54 1u6s n PRO 144 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1u6s n THR 145 N -1.63 0.00 -2.77 3.45 -2.24 0.12 -4.94 114.28 106.27 1u6s n THR 145 Ca 0.04 -0.09 -0.42 0.00 -2.27 0.00 0.00 64.05 61.31 1u6s n THR 145 Cb 0.21 0.58 -0.03 0.00 -2.10 0.00 0.00 70.33 68.99 1u6s n THR 145 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1u6s s ILE 146 N -2.73 4.84 -0.62 2.28 1.01 -1.11 -1.28 121.20 123.60 1u6s s ILE 146 Ca 0.17 1.96 -0.24 0.00 0.00 0.00 0.00 60.65 62.54 1u6s s ILE 146 Cb 0.18 -4.28 0.05 0.00 0.01 0.00 0.00 42.46 38.42 1u6s s ILE 146 CO 0.64 0.20 1.02 -0.62 0.00 0.00 0.00 174.94 176.18 1u6s s ASP 147 N 0.82 6.27 0.30 3.58 3.68 -1.26 -4.92 116.67 125.14 1u6s s ASP 147 Ca 0.49 -0.53 0.20 0.00 2.13 0.00 0.00 52.55 54.83 1u6s s ASP 147 Cb -0.21 -2.46 1.08 0.00 -1.45 0.00 0.00 42.92 39.88 1u6s s ASP 147 CO 0.27 -1.40 1.60 0.23 0.13 0.00 0.00 175.17 175.99 1u6s n MET 148 N 7.90 0.13 0.00 4.34 2.81 -1.26 -0.73 117.12 130.31 1u6s n MET 148 Ca 0.01 0.63 0.12 0.00 -1.81 0.00 0.00 57.70 56.64 1u6s n MET 148 Cb 0.47 -1.94 0.18 0.00 -0.71 0.00 0.00 33.22 31.22 1u6s n MET 148 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 1u6s n TYR 149 N -2.20 0.00 -2.32 2.03 4.02 -1.26 -4.31 117.16 113.12 1u6s n TYR 149 Ca -0.01 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.46 1u6s n TYR 149 Cb 0.05 -0.14 -0.03 0.00 -0.02 0.00 0.00 39.34 39.20 1u6s n TYR 149 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 1u6s s ASP 150 N -2.83 6.02 0.01 7.72 3.68 0.09 -4.83 116.67 126.54 1u6s s ASP 150 Ca 0.14 0.39 0.11 0.00 2.13 0.00 0.00 52.55 55.32 1u6s s ASP 150 Cb 0.18 -2.54 0.48 0.00 -1.45 0.00 0.00 42.92 39.58 1u6s s ASP 150 CO 0.68 -1.77 1.35 -1.14 0.13 0.00 0.00 175.17 174.42 1u6s n ARG 151 N 8.68 0.01 0.05 4.34 0.63 -1.26 -2.32 116.66 126.78 1u6s n ARG 151 Ca 0.14 0.32 0.11 0.00 -0.92 0.00 0.00 57.85 57.51 1u6s n ARG 151 Cb 0.49 -1.51 -0.07 0.00 0.45 0.00 0.00 32.46 31.82 1u6s n ARG 151 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1u6s n GLY 152 N -0.40 -1.25 0.00 5.14 0.00 -1.26 -4.79 105.19 102.63 1u6s n GLY 152 Ca 0.03 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.68 1u6s n GLY 152 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1u6s n ASN 153 N -2.44 0.00 0.21 1.61 0.23 -1.17 -4.88 115.26 108.82 1u6s n ASN 153 Ca -0.02 0.00 0.18 0.00 -0.53 0.00 0.00 54.58 54.21 1u6s n ASN 153 Cb 0.55 0.00 0.84 0.00 -2.08 0.00 0.00 39.78 39.09 1u6s n ASN 153 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1u6s n PHE 155 N -3.55 0.02 -0.09 0.00 1.16 -1.26 -4.50 117.46 109.25 1u6s n PHE 155 Ca 0.02 -0.01 -0.22 0.00 -1.87 0.00 0.00 57.45 55.37 1u6s n PHE 155 Cb 0.38 0.00 -0.12 0.00 -1.61 0.00 0.00 39.48 38.14 1u6s n PHE 155 CO 0.00 0.00 0.00 -0.89 -1.87 0.00 0.00 176.76 174.00 1u6s n ILE 156 N 0.50 1.57 -3.38 1.97 5.41 0.67 -4.91 119.36 121.20 1u6s n ILE 156 Ca 0.18 -0.13 -0.32 0.00 1.00 0.00 0.00 62.75 63.48 1u6s n ILE 156 Cb 0.42 -1.99 -0.05 0.00 -0.71 0.00 0.00 39.64 37.30 1u6s n ILE 156 CO 0.00 0.00 0.00 -0.36 0.00 0.00 0.00 176.55 176.19 1u6s s PHE 157 N -2.40 3.42 0.35 1.39 0.40 -1.25 -1.03 117.98 118.86 1u6s s PHE 157 Ca -0.28 0.89 -0.05 0.00 -0.60 0.00 0.00 56.93 56.89 1u6s s PHE 157 Cb 0.06 -2.28 0.01 0.00 0.51 0.00 0.00 43.02 41.33 1u6s s PHE 157 CO 0.61 0.24 0.53 0.00 0.70 0.00 0.00 175.22 177.30 1u6s s ALA 158 N -1.86 0.51 0.15 5.36 0.00 -0.64 -4.78 121.76 120.50 1u6s s ALA 158 Ca 0.48 -1.38 0.06 0.00 0.00 0.00 0.00 51.96 51.12 1u6s s ALA 158 Cb -0.11 1.08 -0.04 0.00 0.00 0.00 0.00 23.12 24.05 1u6s s ALA 158 CO 0.22 -0.82 0.01 -0.51 0.00 0.00 0.00 175.76 174.65 1u6s s ASP 159 N -3.21 4.90 0.00 0.00 1.01 -0.24 -3.86 116.67 115.27 1u6s s ASP 159 Ca 0.28 -0.31 0.00 0.00 0.71 0.00 0.00 52.55 53.23 1u6s s ASP 159 Cb -0.01 -1.10 0.00 0.00 1.01 0.00 0.00 42.92 42.82 1u6s s ASP 159 CO 0.19 0.11 0.00 0.61 0.21 0.00 0.00 175.17 176.29 1u6s n GLY 160 N 0.06 2.49 3.13 0.21 0.00 -0.28 -4.55 105.19 106.25 1u6s n GLY 160 Ca -0.10 -1.24 -0.11 0.00 0.00 0.00 0.00 46.02 44.58 1u6s n GLY 160 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u6s s ALA 161 N -2.00 -0.29 -0.19 4.61 0.00 -0.62 -1.01 121.76 122.27 1u6s s ALA 161 Ca 0.00 -0.26 -0.17 0.00 0.00 0.00 0.00 51.96 51.53 1u6s s ALA 161 Cb 0.00 0.19 0.05 0.00 0.00 0.00 0.00 23.12 23.35 1u6s s ALA 161 CO 0.00 -0.27 0.50 0.00 0.00 0.00 0.00 175.76 175.99 1u6s s ALA 162 N -1.97 -1.24 0.12 0.00 0.00 -0.07 -0.02 121.76 118.58 1u6s s ALA 162 Ca -0.10 1.41 0.09 0.00 0.00 0.00 0.00 51.96 53.36 1u6s s ALA 162 Cb -0.04 -0.82 -0.04 0.00 0.00 0.00 0.00 23.12 22.22 1u6s s ALA 162 CO -0.01 -0.24 -0.23 0.00 0.00 0.00 0.00 175.76 175.28 1u6s s ALA 163 N 0.27 2.03 0.00 0.00 0.00 0.72 -0.82 121.76 123.95 1u6s s ALA 163 Ca -0.00 -1.35 0.08 0.00 0.00 0.00 0.00 51.96 50.69 1u6s s ALA 163 Cb -0.03 -0.29 -0.03 0.00 0.00 0.00 0.00 23.12 22.77 1u6s s ALA 163 CO 0.01 0.42 -0.23 0.14 0.00 0.00 0.00 175.76 176.09 1u6s s VAL 164 N -1.18 2.31 0.03 0.00 -7.23 0.46 -0.32 120.40 114.48 1u6s s VAL 164 Ca 0.10 -1.15 -0.19 0.00 -1.81 0.00 0.00 61.98 58.92 1u6s s VAL 164 Cb -0.10 -1.87 -0.06 0.00 0.56 0.00 0.00 36.38 34.91 1u6s s VAL 164 CO 0.05 0.48 0.56 -0.69 -0.31 0.00 0.00 175.10 175.19 1u6s s VAL 165 N -0.73 4.84 -0.09 1.32 1.01 -1.00 -1.37 120.40 124.39 1u6s s VAL 165 Ca 0.11 1.18 0.03 0.00 0.00 0.00 0.00 61.98 63.31 1u6s s VAL 165 Cb -0.10 -3.89 0.01 0.00 0.00 0.00 0.00 36.38 32.40 1u6s s VAL 165 CO 0.01 0.50 -0.18 -0.69 0.00 0.00 0.00 175.10 174.74 1u6s s VAL 166 N -0.71 1.59 0.11 2.92 1.01 0.65 -0.84 120.40 125.14 1u6s s VAL 166 Ca 0.29 -0.74 -0.06 0.00 0.00 0.00 0.00 61.98 61.46 1u6s s VAL 166 Cb -0.19 -1.41 0.02 0.00 0.00 0.00 0.00 36.38 34.81 1u6s s VAL 166 CO 0.17 0.46 0.33 0.61 0.00 0.00 0.00 175.10 176.67 1u6s n GLY 167 N 3.73 1.38 3.75 4.51 0.00 -0.89 -0.17 105.19 117.49 1u6s n GLY 167 Ca -0.21 -1.06 -0.41 0.00 0.00 0.00 0.00 46.02 44.34 1u6s n GLY 167 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1u6s s GLU 168 N -2.03 4.35 0.17 1.61 2.12 -1.25 -0.86 118.70 122.81 1u6s s GLU 168 Ca 0.07 2.16 0.06 0.00 0.36 0.00 0.00 54.97 57.62 1u6s s GLU 168 Cb -0.01 -3.14 -0.04 0.00 0.26 0.00 0.00 34.13 31.19 1u6s s GLU 168 CO 0.03 -0.28 -0.13 0.95 -0.54 0.00 0.00 175.26 175.29 1u6s s THR 169 N -0.19 1.50 0.22 -1.70 -4.23 -0.88 -4.80 115.64 105.55 1u6s s THR 169 Ca 0.56 -2.07 -0.09 0.00 -1.18 0.00 0.00 61.69 58.91 1u6s s THR 169 Cb -0.39 -1.89 0.17 0.00 1.34 0.00 0.00 72.50 71.73 1u6s s THR 169 CO 0.43 -0.60 1.86 -0.65 -0.54 0.00 0.00 174.62 175.11 1u6s h PRO 170 N 2.81 0.90 -6.11 3.99 0.11 -1.97 -3.42 132.00 128.31 1u6s h PRO 170 Ca -0.38 -0.05 -0.57 0.00 0.11 0.00 0.00 66.00 65.11 1u6s h PRO 170 Cb 1.21 -0.20 -0.24 0.00 0.11 0.00 0.00 31.00 31.87 1u6s h PRO 170 CO 0.60 0.59 -0.83 -0.06 -0.21 0.00 0.00 178.00 178.09 1u6s s PHE 171 N -6.10 1.80 -0.28 0.65 0.40 -1.26 -4.96 117.98 108.22 1u6s s PHE 171 Ca -0.13 -0.39 -0.40 0.00 -0.60 0.00 0.00 56.93 55.41 1u6s s PHE 171 Cb 0.16 -1.04 -0.15 0.00 0.51 0.00 0.00 43.02 42.50 1u6s s PHE 171 CO 0.78 0.14 1.77 0.94 0.70 0.00 0.00 175.22 179.55 1u6s n GLN 172 N 1.54 1.18 -0.00 0.44 -0.06 -1.26 -4.70 117.38 114.52 1u6s n GLN 172 Ca -0.18 0.43 0.07 0.00 -2.00 0.00 0.00 57.00 55.32 1u6s n GLN 172 Cb 0.53 -2.13 -0.09 0.00 -4.06 0.00 0.00 30.24 24.49 1u6s n GLN 172 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1u6s n GLY 173 N 4.33 -0.43 2.94 1.69 0.00 0.75 -4.85 105.19 109.62 1u6s n GLY 173 Ca 0.27 -0.39 -0.29 0.00 0.00 0.00 0.00 46.02 45.62 1u6s n GLY 173 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1u6s s ILE 174 N -2.52 1.30 1.06 -0.61 1.01 -0.88 -0.59 121.20 119.98 1u6s s ILE 174 Ca 0.03 -0.64 -0.13 0.00 0.00 0.00 0.00 60.65 59.91 1u6s s ILE 174 Cb 0.10 -1.36 0.22 0.00 0.01 0.00 0.00 42.46 41.43 1u6s s ILE 174 CO 0.59 0.26 1.08 -0.83 0.00 0.00 0.00 174.94 176.03 1u6s s GLY 175 N 1.57 1.55 0.54 6.18 0.00 0.22 -4.95 107.32 112.43 1u6s s GLY 175 Ca 0.02 -0.40 -0.21 0.00 0.00 0.00 0.00 44.72 44.13 1u6s s GLY 175 CO -0.09 0.27 1.28 -4.14 0.00 0.00 0.00 173.10 170.42 1u6s s PRO 176 N -4.91 3.21 -0.10 2.90 0.02 -1.26 -4.68 135.00 130.17 1u6s s PRO 176 Ca 0.67 2.04 -0.30 0.00 0.02 0.00 0.00 61.00 63.43 1u6s s PRO 176 Cb -0.19 -2.20 -0.01 0.00 0.02 0.00 0.00 34.50 32.12 1u6s s PRO 176 CO 0.59 -1.07 1.03 0.99 -0.33 0.00 0.00 177.00 178.21 1u6s s THR 177 N -1.42 4.71 -0.21 0.99 2.01 -1.26 -4.58 115.64 115.88 1u6s s THR 177 Ca 0.72 1.98 -0.04 0.00 0.31 0.00 0.00 61.69 64.66 1u6s s THR 177 Cb -0.36 -4.28 -0.02 0.00 0.01 0.00 0.00 72.50 67.86 1u6s s THR 177 CO 0.41 0.00 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.64 1u6s s VAL 178 N 2.05 3.73 0.16 3.82 1.01 -0.40 -4.98 120.40 125.78 1u6s s VAL 178 Ca 0.49 -0.39 -0.12 0.00 0.00 0.00 0.00 61.98 61.97 1u6s s VAL 178 Cb -0.19 -2.69 0.01 0.00 0.00 0.00 0.00 36.38 33.51 1u6s s VAL 178 CO 0.18 0.43 0.35 0.00 0.00 0.00 0.00 175.10 176.06 1u6s s ALA 179 N 1.15 -0.36 0.00 5.51 0.00 -1.26 0.07 121.76 126.87 1u6s s ALA 179 Ca 0.02 -0.60 0.00 0.00 0.00 0.00 0.00 51.96 51.38 1u6s s ALA 179 Cb -0.14 0.80 0.00 0.00 0.00 0.00 0.00 23.12 23.77 1u6s s ALA 179 CO 0.01 -0.67 0.00 0.41 0.00 0.00 0.00 175.76 175.50 1u6s n GLY 180 N -0.23 -0.80 3.86 0.00 0.00 -0.66 -5.00 105.19 102.36 1u6s n GLY 180 Ca -0.10 -0.69 -0.05 0.00 0.00 0.00 0.00 46.02 45.18 1u6s n GLY 180 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1u6s s SER 181 N -4.00 -0.00 -0.39 1.61 1.04 -1.26 -1.54 113.70 109.15 1u6s s SER 181 Ca 0.00 -0.81 0.03 0.00 0.48 0.00 0.00 55.95 55.65 1u6s s SER 181 Cb 0.00 0.61 0.16 0.00 0.10 0.00 0.00 66.02 66.89 1u6s s SER 181 CO 0.00 -1.20 0.30 -0.62 0.98 0.00 0.00 173.24 172.70 1u6s s ASP 182 N -3.29 1.86 0.09 7.02 3.68 0.55 -4.97 116.67 121.61 1u6s s ASP 182 Ca 0.20 -2.78 0.10 0.00 2.13 0.00 0.00 52.55 52.20 1u6s s ASP 182 Cb -0.03 -0.40 0.48 0.00 -1.45 0.00 0.00 42.92 41.52 1u6s s ASP 182 CO 0.07 -0.21 1.31 0.61 0.13 0.00 0.00 175.17 177.08 1u6s n GLY 183 N 3.23 -0.77 0.25 2.66 0.00 -1.26 -1.89 105.19 107.41 1u6s n GLY 183 Ca 0.24 0.04 0.14 0.00 0.00 0.00 0.00 46.02 46.44 1u6s n GLY 183 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1u6s h GLU 184 N 0.00 0.00 -0.67 1.61 4.39 -1.94 -3.06 114.58 114.91 1u6s h GLU 184 Ca 0.00 0.00 -0.41 0.00 0.34 0.00 0.00 59.36 59.29 1u6s h GLU 184 Cb 0.10 0.00 -0.24 0.00 -0.10 0.00 0.00 28.75 28.51 1u6s h GLU 184 CO 0.00 0.02 0.11 1.04 -1.16 0.00 0.00 179.01 179.02 1u6s n GLN 185 N -3.11 2.39 0.23 2.33 6.02 -0.79 -4.72 117.38 119.73 1u6s n GLN 185 Ca 0.02 -3.36 0.15 0.00 -0.01 0.00 0.00 57.00 53.81 1u6s n GLN 185 Cb 0.42 -2.06 0.82 0.00 1.02 0.00 0.00 30.24 30.44 1u6s n GLN 185 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1u6s h ALA 186 N 1.41 1.79 -0.00 -1.58 0.00 -1.66 -2.34 119.26 116.88 1u6s h ALA 186 Ca 0.40 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.31 1u6s h ALA 186 Cb 1.69 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.48 1u6s h ALA 186 CO 0.83 -0.16 -0.11 -0.25 0.00 0.00 0.00 179.25 179.55 1u6s n ASP 187 N -3.99 0.25 -0.27 0.00 8.00 -1.26 -4.15 116.55 115.14 1u6s n ASP 187 Ca -0.00 -0.15 -0.07 0.00 0.71 0.00 0.00 54.79 55.28 1u6s n ASP 187 Cb 0.22 -0.19 0.05 0.00 -0.02 0.00 0.00 41.12 41.19 1u6s n ASP 187 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1u6s h ALA 188 N 3.33 0.98 -3.33 2.24 0.00 -1.78 -3.39 119.26 117.30 1u6s h ALA 188 Ca 0.00 -0.24 -0.54 0.00 0.00 0.00 0.00 54.91 54.14 1u6s h ALA 188 Cb 0.40 -0.29 -0.38 0.00 0.00 0.00 0.00 17.79 17.52 1u6s h ALA 188 CO 0.00 0.67 -0.78 0.42 0.00 0.00 0.00 179.25 179.56 1u6s s ILE 189 N -5.38 0.94 0.15 0.00 1.01 -1.26 0.46 121.20 117.12 1u6s s ILE 189 Ca -0.12 -0.58 -0.19 0.00 0.00 0.00 0.00 60.65 59.76 1u6s s ILE 189 Cb 0.15 -1.19 0.05 0.00 0.01 0.00 0.00 42.46 41.48 1u6s s ILE 189 CO 0.85 0.06 0.50 0.00 0.00 0.00 0.00 174.94 176.35 1u6s s ARG 190 N 1.70 1.20 -0.12 2.79 1.70 -0.48 -4.25 118.95 121.49 1u6s s ARG 190 Ca 0.00 -0.62 -0.28 0.00 -0.47 0.00 0.00 55.73 54.36 1u6s s ARG 190 Cb -0.16 0.53 -0.02 0.00 -0.57 0.00 0.00 34.95 34.74 1u6s s ARG 190 CO -0.07 -0.50 0.92 -1.14 -1.08 0.00 0.00 175.30 173.42 1u6s s GLN 191 N -3.79 4.38 0.08 3.89 0.74 -1.26 0.45 119.66 124.15 1u6s s GLN 191 Ca 0.03 1.22 -0.15 0.00 0.05 0.00 0.00 55.36 56.50 1u6s s GLN 191 Cb 0.00 -3.54 -0.13 0.00 1.10 0.00 0.00 33.01 30.44 1u6s s GLN 191 CO -0.11 -0.28 1.34 0.38 -0.55 0.00 0.00 175.29 176.07 1u6s h ASP 192 N 7.14 0.74 -3.25 6.67 2.03 -1.86 -3.43 116.42 124.45 1u6s h ASP 192 Ca -0.31 -0.55 -0.67 0.00 -0.73 0.00 0.00 57.03 54.77 1u6s h ASP 192 Cb 1.15 -0.21 -0.31 0.00 -0.83 0.00 0.00 39.33 39.12 1u6s h ASP 192 CO 0.84 1.15 -0.82 -0.63 -1.03 0.00 0.00 179.24 178.75 1u6s s ILE 193 N -4.05 2.49 0.70 4.15 1.01 -1.26 -5.06 121.20 119.19 1u6s s ILE 193 Ca -0.12 -0.83 -0.15 0.00 0.00 0.00 0.00 60.65 59.55 1u6s s ILE 193 Cb 0.08 -2.04 0.02 0.00 0.01 0.00 0.00 42.46 40.53 1u6s s ILE 193 CO 0.84 0.52 1.14 1.51 0.00 0.00 0.00 174.94 178.96 1u6s s ASP 194 N 0.83 4.69 0.15 3.58 1.47 -1.26 -4.64 116.67 121.48 1u6s s ASP 194 Ca -0.05 2.13 -0.16 0.00 1.18 0.00 0.00 52.55 55.64 1u6s s ASP 194 Cb -0.15 -2.56 0.01 0.00 -0.34 0.00 0.00 42.92 39.88 1u6s s ASP 194 CO -0.01 -1.92 1.77 -0.50 0.68 0.00 0.00 175.17 175.19 1u6s h TRP 195 N -0.19 0.57 -0.26 2.11 -0.00 -1.99 -0.52 115.95 115.67 1u6s h TRP 195 Ca -0.47 -0.01 0.00 0.00 -0.00 0.00 0.00 58.89 58.42 1u6s h TRP 195 Cb 1.26 -0.18 -0.01 0.00 -0.00 0.00 0.00 29.16 30.23 1u6s h TRP 195 CO 0.52 0.42 0.16 0.82 -0.00 0.00 0.00 178.44 180.36 1u6s h ILE 196 N 0.55 1.08 -0.65 1.49 1.08 -1.98 0.63 117.51 119.71 1u6s h ILE 196 Ca 0.15 -0.18 0.06 0.00 -0.39 0.00 0.00 64.86 64.51 1u6s h ILE 196 Cb 0.03 0.73 -0.06 0.00 -3.07 0.00 0.00 36.82 34.45 1u6s h ILE 196 CO -0.03 0.08 0.35 0.74 -0.69 0.00 0.00 178.15 178.60 1u6s h THR 197 N 0.34 0.94 -0.01 -0.27 2.02 -1.86 -0.22 112.91 113.84 1u6s h THR 197 Ca 0.09 -0.22 -0.00 0.00 0.77 0.00 0.00 66.41 67.06 1u6s h THR 197 Cb -0.01 0.25 -0.00 0.00 -1.74 0.00 0.00 68.15 66.65 1u6s h THR 197 CO -0.02 0.12 0.01 0.15 0.37 0.00 0.00 175.52 176.14 1u6s h PHE 198 N 0.63 0.02 -0.93 3.16 3.57 -0.59 -2.27 116.94 120.53 1u6s h PHE 198 Ca 0.30 -0.00 0.14 0.00 3.53 0.00 0.00 57.97 61.94 1u6s h PHE 198 Cb 0.21 -0.01 -0.09 0.00 2.79 0.00 0.00 35.95 38.86 1u6s h PHE 198 CO -0.09 0.07 0.55 0.00 -2.23 0.00 0.00 178.31 176.61 1u6s h ALA 199 N 0.94 1.44 0.00 2.41 0.00 0.10 -1.68 119.26 122.47 1u6s h ALA 199 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1u6s h ALA 199 Cb 0.06 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1u6s h ALA 199 CO -0.00 0.04 0.00 1.96 0.00 0.00 0.00 179.25 181.25 1u6s h GLN 200 N 0.80 0.00 -2.10 0.00 4.20 -0.84 -3.36 115.11 113.81 1u6s h GLN 200 Ca 0.50 0.00 -0.58 0.00 0.06 0.00 0.00 58.65 58.63 1u6s h GLN 200 Cb 0.63 0.00 -0.41 0.00 0.30 0.00 0.00 27.48 28.00 1u6s h GLN 200 CO -0.32 0.00 -0.85 0.09 -0.67 0.00 0.00 178.83 177.08 1u6s n ASN 201 N -2.64 2.04 0.28 1.46 4.13 -0.64 -4.94 115.26 114.94 1u6s n ASN 201 Ca 0.05 -3.09 0.14 0.00 1.68 0.00 0.00 54.58 53.35 1u6s n ASN 201 Cb 0.46 -0.65 0.83 0.00 -1.54 0.00 0.00 39.78 38.88 1u6s n ASN 201 CO 0.00 0.00 0.00 -0.65 0.28 0.00 0.00 177.26 176.89 1u6s h PRO 202 N 4.02 0.00 0.00 3.52 0.11 -1.68 -0.76 132.00 137.21 1u6s h PRO 202 Ca 0.13 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.24 1u6s h PRO 202 Cb 0.77 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.88 1u6s h PRO 202 CO 0.65 0.06 0.00 -1.13 -0.21 0.00 0.00 178.00 177.37 1u6s n SER 202 N -3.74 0.00 -2.10 -2.05 3.41 -1.26 -4.81 113.62 103.07 1u6s n SER 202 Ca -0.02 0.26 0.00 0.00 -0.26 0.00 0.00 58.87 58.84 1u6s n SER 202 Cb 0.16 -0.42 0.00 0.00 -0.26 0.00 0.00 64.21 63.69 1u6s n SER 202 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1u6s n GLY 202 N 1.24 -0.57 3.78 5.00 0.00 -0.29 -5.05 105.19 109.29 1u6s n GLY 202 Ca 0.09 -1.73 -0.33 0.00 0.00 0.00 0.00 46.02 44.05 1u6s n GLY 202 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1u6s s PRO 202 N -2.16 2.85 0.36 1.61 0.02 -1.26 -5.05 135.00 131.37 1u6s s PRO 202 Ca 0.00 1.31 -0.04 0.00 0.02 0.00 0.00 61.00 62.29 1u6s s PRO 202 Cb 0.00 -1.96 -0.04 0.00 0.02 0.00 0.00 34.50 32.51 1u6s s PRO 202 CO 0.00 -1.20 0.63 -0.98 -0.33 0.00 0.00 177.00 175.12 1u6s s ARG 202 N -4.22 3.58 0.42 5.54 1.70 -1.26 -4.93 118.95 119.78 1u6s s ARG 202 Ca 0.65 0.00 -0.24 0.00 -0.47 0.00 0.00 55.73 55.68 1u6s s ARG 202 Cb -0.19 -2.56 -0.08 0.00 -0.57 0.00 0.00 34.95 31.55 1u6s s ARG 202 CO 0.43 0.07 1.11 -2.14 -1.08 0.00 0.00 175.30 173.68 1u6s s PRO 203 N -4.08 4.03 0.14 3.89 0.02 -1.26 -4.91 135.00 132.82 1u6s s PRO 203 Ca 0.44 1.65 -0.01 0.00 0.02 0.00 0.00 61.00 63.11 1u6s s PRO 203 Cb -0.10 -2.53 -0.04 0.00 0.02 0.00 0.00 34.50 31.84 1u6s s PRO 203 CO 0.35 -0.29 0.05 -0.06 -0.33 0.00 0.00 177.00 176.73 1u6s s PHE 204 N -1.57 0.91 -0.03 6.54 0.08 -1.26 -5.00 117.98 117.65 1u6s s PHE 204 Ca 0.59 -1.22 -0.30 0.00 0.12 0.00 0.00 56.93 56.12 1u6s s PHE 204 Cb -0.26 -0.51 -0.03 0.00 -0.57 0.00 0.00 43.02 41.65 1u6s s PHE 204 CO 0.32 -0.49 1.12 0.54 -0.10 0.00 0.00 175.22 176.61 1u6s s VAL 205 N -4.01 4.42 0.09 -0.44 0.11 -0.40 -2.50 120.40 117.66 1u6s s VAL 205 Ca 0.25 1.73 0.08 0.00 -2.93 0.00 0.00 61.98 61.11 1u6s s VAL 205 Cb 0.07 -4.11 -0.04 0.00 -1.53 0.00 0.00 36.38 30.77 1u6s s VAL 205 CO 0.02 0.06 -0.18 -0.13 -3.33 0.00 0.00 175.10 171.54 1u6s s ARG 206 N 1.69 1.87 -0.07 1.54 1.81 0.17 -4.70 118.95 121.27 1u6s s ARG 206 Ca 0.54 -1.12 -0.04 0.00 -1.72 0.00 0.00 55.73 53.40 1u6s s ARG 206 Cb -0.24 -2.14 0.04 0.00 -0.45 0.00 0.00 34.95 32.16 1u6s s ARG 206 CO 0.24 0.50 0.17 -1.17 -0.68 0.00 0.00 175.30 174.36 1u6s s LEU 207 N -1.93 0.75 -1.12 2.53 2.96 -1.26 -1.38 118.68 119.24 1u6s s LEU 207 Ca 0.17 0.35 -0.05 0.00 -0.22 0.00 0.00 54.13 54.38 1u6s s LEU 207 Cb -0.11 0.47 0.28 0.00 0.50 0.00 0.00 46.19 47.34 1u6s s LEU 207 CO 0.09 -0.14 1.57 -0.62 -1.32 0.00 0.00 176.35 175.93 1u6s n GLU 208 N 4.03 4.31 -0.06 1.98 -0.58 0.17 -4.95 120.64 125.54 1u6s n GLU 208 Ca -0.24 -4.34 -0.02 0.00 -0.42 0.00 0.00 57.16 52.14 1u6s n GLU 208 Cb 0.53 -2.60 -0.01 0.00 -0.57 0.00 0.00 31.44 28.79 1u6s n GLU 208 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1u6s n GLY 209 N 1.62 -2.80 0.37 0.62 0.00 -1.26 -1.56 105.19 102.17 1u6s n GLY 209 Ca 0.29 0.63 0.17 0.00 0.00 0.00 0.00 46.02 47.11 1u6s n GLY 209 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1u6s h PRO 210 N 0.00 0.58 -0.47 1.61 0.11 -1.98 0.27 132.00 132.11 1u6s h PRO 210 Ca 0.02 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 66.06 1u6s h PRO 210 Cb 0.06 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 31.02 1u6s h PRO 210 CO -0.13 0.38 0.13 0.00 -0.21 0.00 0.00 178.00 178.17 1u6s h ALA 211 N 1.66 0.62 -0.20 -0.75 0.00 -1.71 -0.53 119.26 118.34 1u6s h ALA 211 Ca 0.59 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 55.29 1u6s h ALA 211 Cb 1.16 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 1u6s h ALA 211 CO -0.37 0.29 0.03 0.28 0.00 0.00 0.00 179.25 179.47 1u6s h VAL 212 N 0.63 1.23 -0.32 0.00 2.07 -0.73 -1.59 116.25 117.54 1u6s h VAL 212 Ca 0.15 -0.76 0.07 0.00 0.82 0.00 0.00 66.70 66.98 1u6s h VAL 212 Cb 0.30 1.35 -0.07 0.00 -1.52 0.00 0.00 31.29 31.35 1u6s h VAL 212 CO -0.00 0.23 -0.15 0.15 0.02 0.00 0.00 177.57 177.82 1u6s h PHE 213 N 0.11 -0.37 0.09 1.57 3.57 -0.81 0.12 116.94 121.21 1u6s h PHE 213 Ca 0.06 0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.59 1u6s h PHE 213 Cb 0.33 0.21 0.00 0.00 2.79 0.00 0.00 35.95 39.28 1u6s h PHE 213 CO 0.02 -0.23 -0.04 0.00 -2.23 0.00 0.00 178.31 175.83 1u6s h ARG 214 N -0.10 -0.11 -0.08 1.11 -0.00 -1.02 -0.76 114.38 113.41 1u6s h ARG 214 Ca 0.16 0.01 0.04 0.00 -0.50 0.00 0.00 59.98 59.69 1u6s h ARG 214 Cb 0.35 0.03 -0.04 0.00 0.00 0.00 0.00 29.97 30.30 1u6s h ARG 214 CO -0.39 -0.07 -0.19 2.35 0.00 0.00 0.00 179.97 181.67 1u6s h TRP 215 N -0.12 -0.49 0.21 3.04 7.01 -0.77 -0.92 115.95 123.92 1u6s h TRP 215 Ca -0.01 0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.00 1u6s h TRP 215 Cb 0.09 0.23 0.00 0.00 -2.10 0.00 0.00 29.16 27.38 1u6s h TRP 215 CO -0.07 -0.27 -0.10 0.00 -2.79 0.00 0.00 178.44 175.21 1u6s h ALA 216 N 0.71 -0.29 0.00 2.65 0.00 -0.69 0.78 119.26 122.42 1u6s h ALA 216 Ca 0.08 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1u6s h ALA 216 Cb 0.38 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 1u6s h ALA 216 CO -0.23 -0.56 -0.15 0.00 0.00 0.00 0.00 179.25 178.31 1u6s h ALA 217 N 0.25 1.51 0.05 0.00 0.00 -1.11 -1.24 119.26 118.73 1u6s h ALA 217 Ca -0.03 -0.14 -0.30 0.00 0.00 0.00 0.00 54.91 54.44 1u6s h ALA 217 Cb 0.37 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 1u6s h ALA 217 CO 0.05 0.19 -1.64 0.35 0.00 0.00 0.00 179.25 178.20 1u6s h PHE 218 N 0.00 0.20 0.00 0.00 3.57 -0.99 -3.42 116.94 116.30 1u6s h PHE 218 Ca -0.00 -0.15 -0.18 0.00 3.53 0.00 0.00 57.97 61.17 1u6s h PHE 218 Cb 0.32 -0.01 -0.03 0.00 2.79 0.00 0.00 35.95 39.01 1u6s h PHE 218 CO 0.00 1.24 -1.90 1.63 -2.23 0.00 0.00 178.31 177.05 1u6s n LYS 219 N -3.26 1.29 0.00 1.11 4.76 0.25 -4.59 118.16 117.72 1u6s n LYS 219 Ca -0.17 -0.05 0.09 0.00 -2.87 0.00 0.00 58.31 55.31 1u6s n LYS 219 Cb 1.04 -1.37 0.42 0.00 -1.84 0.00 0.00 35.03 33.28 1u6s n LYS 219 CO 0.00 0.00 0.00 -1.33 -1.37 0.00 0.00 177.40 174.70 1u6s n MET 220 N -2.38 0.00 -0.08 1.97 2.81 -0.48 -2.49 117.12 116.47 1u6s n MET 220 Ca -0.17 0.16 -0.15 0.00 -1.81 0.00 0.00 57.70 55.74 1u6s n MET 220 Cb 0.79 -1.50 -0.04 0.00 -0.71 0.00 0.00 33.22 31.76 1u6s n MET 220 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 1u6s h GLY 221 N 3.37 0.94 1.21 3.03 0.00 -1.81 -2.08 103.07 107.73 1u6s h GLY 221 Ca 0.00 -1.08 -0.18 0.00 0.00 0.00 0.00 47.33 46.07 1u6s h GLY 221 CO 0.00 0.97 -0.55 -0.55 0.00 0.00 0.00 176.54 176.41 1u6s h ASP 222 N 0.64 0.93 0.14 0.19 3.45 -1.79 -1.96 116.42 118.01 1u6s h ASP 222 Ca 0.02 -0.50 0.00 0.00 0.43 0.00 0.00 57.03 56.98 1u6s h ASP 222 Cb 1.11 -0.27 -0.01 0.00 -0.56 0.00 0.00 39.33 39.60 1u6s h ASP 222 CO 0.11 1.29 -0.13 0.58 -1.57 0.00 0.00 179.24 179.52 1u6s h VAL 223 N 0.64 0.70 -0.60 -1.35 2.07 -1.55 -0.14 116.25 116.02 1u6s h VAL 223 Ca 0.01 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.64 1u6s h VAL 223 Cb 1.16 0.70 -0.08 0.00 -1.52 0.00 0.00 31.29 31.55 1u6s h VAL 223 CO 0.12 0.00 0.17 1.23 0.02 0.00 0.00 177.57 179.11 1u6s h GLY 224 N -0.30 0.80 1.01 2.17 0.00 -1.38 -0.84 103.07 104.53 1u6s h GLY 224 Ca 0.00 -0.06 0.01 0.00 0.00 0.00 0.00 47.33 47.27 1u6s h GLY 224 CO -0.03 -0.08 0.48 3.21 0.00 0.00 0.00 176.54 180.12 1u6s h ARG 225 N 0.31 0.97 -0.45 4.80 3.08 -0.89 -1.08 114.38 121.12 1u6s h ARG 225 Ca 0.31 -0.06 -0.09 0.00 0.07 0.00 0.00 59.98 60.21 1u6s h ARG 225 Cb 0.44 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 30.26 1u6s h ARG 225 CO -0.37 0.65 -0.10 0.00 -1.07 0.00 0.00 179.97 179.08 1u6s h ARG 226 N 0.99 0.81 -0.72 0.04 3.08 -0.46 -0.96 114.38 117.15 1u6s h ARG 226 Ca 0.27 -0.27 -0.07 0.00 0.07 0.00 0.00 59.98 59.98 1u6s h ARG 226 Cb -0.10 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 29.85 1u6s h ARG 226 CO -0.06 0.88 0.18 0.00 -1.07 0.00 0.00 179.97 179.90 1u6s h ALA 227 N 1.15 0.96 -0.14 0.04 0.00 -0.71 -0.62 119.26 119.95 1u6s h ALA 227 Ca 0.12 -0.25 -0.18 0.00 0.00 0.00 0.00 54.91 54.61 1u6s h ALA 227 Cb 0.59 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 1u6s h ALA 227 CO 0.04 0.67 -0.65 0.52 0.00 0.00 0.00 179.25 179.83 1u6s h MET 228 N 1.09 0.52 -0.28 0.00 2.86 -1.07 -2.33 114.93 115.71 1u6s h MET 228 Ca 0.23 -0.37 -0.03 0.00 -2.06 0.00 0.00 59.70 57.46 1u6s h MET 228 Cb 0.37 0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.08 1u6s h MET 228 CO 0.00 0.99 0.05 0.22 1.06 0.00 0.00 176.91 179.23 1u6s h ASP 229 N 0.37 0.45 -0.69 1.22 1.82 -1.03 0.93 116.42 119.49 1u6s h ASP 229 Ca -0.01 -0.26 -0.04 0.00 -0.39 0.00 0.00 57.03 56.33 1u6s h ASP 229 Cb 1.21 -0.12 -0.03 0.00 0.68 0.00 0.00 39.33 41.07 1u6s h ASP 229 CO 0.12 0.59 0.27 0.00 -1.61 0.00 0.00 179.24 178.61 1u6s h ALA 230 N 0.87 0.90 0.00 -0.78 0.00 -1.13 -1.39 119.26 117.72 1u6s h ALA 230 Ca 0.09 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1u6s h ALA 230 Cb 0.33 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1u6s h ALA 230 CO 0.01 0.52 0.00 0.00 0.00 0.00 0.00 179.25 179.78 1u6s n ALA 231 N -2.40 1.75 -3.20 0.00 0.00 -0.88 -4.68 120.51 111.09 1u6s n ALA 231 Ca 0.05 -0.03 -0.16 0.00 0.00 0.00 0.00 53.44 53.31 1u6s n ALA 231 Cb 0.18 -1.30 0.06 0.00 0.00 0.00 0.00 19.45 18.39 1u6s n ALA 231 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1u6s n GLY 232 N 0.18 -0.11 3.07 0.00 0.00 -0.43 -5.01 105.19 102.88 1u6s n GLY 232 Ca 0.04 -0.03 -0.20 0.00 0.00 0.00 0.00 46.02 45.83 1u6s n GLY 232 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1u6s s VAL 233 N -3.23 0.87 0.58 1.61 -7.23 0.19 -5.03 120.40 108.16 1u6s s VAL 233 Ca 0.30 -0.57 -0.12 0.00 -1.81 0.00 0.00 61.98 59.78 1u6s s VAL 233 Cb -0.13 -0.75 -0.05 0.00 0.56 0.00 0.00 36.38 36.01 1u6s s VAL 233 CO 0.52 0.18 0.99 -0.13 -0.31 0.00 0.00 175.10 176.35 1u6s s ARG 234 N -0.44 3.69 0.32 4.82 0.52 -1.26 -4.24 118.95 122.35 1u6s s ARG 234 Ca 0.03 0.75 0.01 0.00 -0.52 0.00 0.00 55.73 56.01 1u6s s ARG 234 Cb -0.05 -2.13 0.57 0.00 0.52 0.00 0.00 34.95 33.86 1u6s s ARG 234 CO -0.00 -0.45 1.94 -1.35 0.02 0.00 0.00 175.30 175.45 1u6s h PRO 235 N 0.07 0.95 0.00 3.54 0.11 -1.90 -1.98 132.00 132.79 1u6s h PRO 235 Ca -0.45 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1u6s h PRO 235 Cb 1.19 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 32.09 1u6s h PRO 235 CO 0.62 0.63 0.00 -0.40 -0.21 0.00 0.00 178.00 178.64 1u6s n ASP 236 N -4.47 0.02 0.01 -2.05 5.75 -1.26 -2.38 116.55 112.17 1u6s n ASP 236 Ca 0.12 0.51 0.11 0.00 -0.01 0.00 0.00 54.79 55.52 1u6s n ASP 236 Cb 0.17 -0.51 0.11 0.00 -1.03 0.00 0.00 41.12 39.85 1u6s n ASP 236 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1u6s n GLN 237 N -1.53 0.08 -2.30 0.11 6.02 -0.75 -4.73 117.38 114.29 1u6s n GLN 237 Ca 0.02 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.59 1u6s n GLN 237 Cb 0.11 -1.53 -0.03 0.00 1.02 0.00 0.00 30.24 29.81 1u6s n GLN 237 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1u6s s ILE 238 N -3.06 3.99 -0.13 5.09 -1.09 -1.00 -4.72 121.20 120.28 1u6s s ILE 238 Ca 0.08 1.27 0.18 0.00 -2.23 0.00 0.00 60.65 59.96 1u6s s ILE 238 Cb 0.16 -3.82 -0.19 0.00 -1.58 0.00 0.00 42.46 37.03 1u6s s ILE 238 CO 0.76 -0.06 0.62 0.47 -1.23 0.00 0.00 174.94 175.51 1u6s n ASP 239 N 6.06 0.52 -3.79 3.58 8.00 -0.14 -4.67 116.55 126.11 1u6s n ASP 239 Ca 0.14 0.23 -0.19 0.00 0.71 0.00 0.00 54.79 55.67 1u6s n ASP 239 Cb 0.44 0.70 -0.17 0.00 -0.02 0.00 0.00 41.12 42.08 1u6s n ASP 239 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1u6s s VAL 240 N -2.99 0.21 -0.28 2.53 1.01 -0.76 -1.11 120.40 119.01 1u6s s VAL 240 Ca -0.05 0.13 -0.06 0.00 0.00 0.00 0.00 61.98 62.00 1u6s s VAL 240 Cb 0.09 -0.34 0.00 0.00 0.00 0.00 0.00 36.38 36.14 1u6s s VAL 240 CO 0.83 0.18 0.05 0.12 0.00 0.00 0.00 175.10 176.29 1u6s s PHE 241 N 1.42 3.11 -0.61 5.22 5.99 0.67 -0.96 117.98 132.82 1u6s s PHE 241 Ca -0.04 -0.93 0.04 0.00 0.00 0.00 0.00 56.93 56.00 1u6s s PHE 241 Cb -0.13 -2.22 0.15 0.00 0.00 0.00 0.00 43.02 40.82 1u6s s PHE 241 CO -0.03 -0.55 0.39 0.08 -0.00 0.00 0.00 175.22 175.12 1u6s s VAL 242 N 1.50 2.55 0.60 3.12 1.01 -0.03 -0.73 120.40 128.42 1u6s s VAL 242 Ca 0.03 -3.77 -0.11 0.00 0.00 0.00 0.00 61.98 58.13 1u6s s VAL 242 Cb -0.16 -2.71 -0.04 0.00 0.00 0.00 0.00 36.38 33.46 1u6s s VAL 242 CO 0.01 -0.95 1.01 -2.16 0.00 0.00 0.00 175.10 173.01 1u6s s PRO 243 N -0.88 3.64 0.17 2.72 0.04 -1.26 -2.68 135.00 136.75 1u6s s PRO 243 Ca 0.22 0.73 -0.33 0.00 0.04 0.00 0.00 61.00 61.66 1u6s s PRO 243 Cb -0.12 -2.11 -0.15 0.00 0.04 0.00 0.00 34.50 32.16 1u6s s PRO 243 CO -0.10 -0.51 1.40 1.58 0.04 0.00 0.00 177.00 179.42 1u6s n HIS 244 N -2.57 1.92 -1.82 0.56 -0.00 0.11 -4.79 115.22 108.62 1u6s n HIS 244 Ca 0.06 0.46 -0.42 0.00 -0.00 0.00 0.00 57.72 57.82 1u6s n HIS 244 Cb 0.54 -2.43 -0.00 0.00 -0.00 0.00 0.00 29.99 28.10 1u6s n HIS 244 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.34 177.38 1u6s n GLN 245 N 2.50 3.10 0.06 1.57 1.13 -1.26 -4.56 117.38 119.93 1u6s n GLN 245 Ca 0.15 -2.77 -0.23 0.00 -1.94 0.00 0.00 57.00 52.21 1u6s n GLN 245 Cb 0.27 -3.17 -0.15 0.00 0.11 0.00 0.00 30.24 27.31 1u6s n GLN 245 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1u6s h ALA 246 N 5.85 0.12 -1.45 -1.58 0.00 -1.92 -3.34 119.26 116.93 1u6s h ALA 246 Ca 0.56 -1.08 0.12 0.00 0.00 0.00 0.00 54.91 54.51 1u6s h ALA 246 Cb 0.60 0.42 -0.28 0.00 0.00 0.00 0.00 17.79 18.53 1u6s h ALA 246 CO 1.82 0.91 0.47 1.21 0.00 0.00 0.00 179.25 183.66 1u6s s ASN 247 N -7.24 -0.41 0.34 0.00 3.84 -1.26 -4.83 114.94 105.37 1u6s s ASN 247 Ca -0.16 0.68 0.13 0.00 0.21 0.00 0.00 52.86 53.72 1u6s s ASN 247 Cb 0.05 1.09 0.60 0.00 -0.55 0.00 0.00 41.25 42.43 1u6s s ASN 247 CO 0.84 -0.11 1.73 0.77 -2.79 0.00 0.00 177.10 177.54 1u6s h SER 248 N 5.57 0.00 -0.35 -4.21 4.64 -0.99 -2.71 113.55 115.50 1u6s h SER 248 Ca -0.28 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.00 1u6s h SER 248 Cb 1.19 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.26 1u6s h SER 248 CO 0.19 0.46 0.05 0.03 -0.87 0.00 0.00 176.83 176.69 1u6s h ARG 249 N 0.00 0.59 -0.19 4.77 2.47 -1.82 -1.77 114.38 118.43 1u6s h ARG 249 Ca -0.00 -0.16 0.01 0.00 -1.26 0.00 0.00 59.98 58.56 1u6s h ARG 249 Cb 0.86 -0.07 -0.01 0.00 -1.65 0.00 0.00 29.97 29.10 1u6s h ARG 249 CO 0.06 0.67 0.10 0.82 0.56 0.00 0.00 179.97 182.18 1u6s h ILE 250 N 0.42 1.01 -0.55 2.04 2.04 -1.91 -2.50 117.51 118.06 1u6s h ILE 250 Ca 0.11 -0.07 -0.08 0.00 1.00 0.00 0.00 64.86 65.81 1u6s h ILE 250 Cb 0.37 0.77 -0.02 0.00 -0.74 0.00 0.00 36.82 37.20 1u6s h ILE 250 CO 0.01 0.04 0.03 0.78 0.00 0.00 0.00 178.15 179.01 1u6s h ASN 251 N 0.22 0.92 0.59 1.72 2.35 -1.35 0.12 115.58 120.14 1u6s h ASN 251 Ca 0.08 -0.29 -0.06 0.00 -0.55 0.00 0.00 56.30 55.48 1u6s h ASN 251 Cb 0.01 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.12 1u6s h ASN 251 CO -0.04 0.98 -0.28 1.05 -1.65 0.00 0.00 177.43 177.48 1u6s h GLU 252 N 0.83 0.00 -0.18 0.81 4.11 -1.34 -0.69 114.58 118.12 1u6s h GLU 252 Ca 0.16 0.00 -0.10 0.00 0.07 0.00 0.00 59.36 59.48 1u6s h GLU 252 Cb 0.49 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.74 1u6s h GLU 252 CO 0.02 0.28 -0.30 -0.07 0.07 0.00 0.00 179.01 179.02 1u6s h LEU 253 N 0.00 0.57 -1.81 3.06 3.38 -0.91 -3.03 115.31 116.56 1u6s h LEU 253 Ca -0.00 -0.54 -0.02 0.00 0.09 0.00 0.00 57.88 57.41 1u6s h LEU 253 Cb 0.66 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.24 1u6s h LEU 253 CO 0.04 0.99 -0.09 -0.07 0.09 0.00 0.00 178.44 179.40 1u6s h LEU 254 N 0.16 0.00 0.82 1.67 3.38 -0.53 -1.69 115.31 119.11 1u6s h LEU 254 Ca 0.01 -0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 1u6s h LEU 254 Cb 0.88 -0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.64 1u6s h LEU 254 CO 0.07 0.09 -0.39 0.58 0.09 0.00 0.00 178.44 178.88 1u6s h VAL 255 N 0.00 0.16 -0.81 1.22 2.07 -1.07 0.32 116.25 118.14 1u6s h VAL 255 Ca -0.00 -0.07 0.10 0.00 0.82 0.00 0.00 66.70 67.55 1u6s h VAL 255 Cb 0.16 0.17 -0.07 0.00 -1.52 0.00 0.00 31.29 30.03 1u6s h VAL 255 CO 0.01 0.01 0.45 0.11 0.02 0.00 0.00 177.57 178.17 1u6s h LYS 256 N -1.16 0.73 0.12 1.57 1.79 -1.41 -1.80 116.57 116.41 1u6s h LYS 256 Ca -0.11 -0.04 -0.01 0.00 -2.18 0.00 0.00 60.65 58.31 1u6s h LYS 256 Cb 0.85 -0.16 0.00 0.00 -1.58 0.00 0.00 32.23 31.34 1u6s h LYS 256 CO 0.18 0.48 -0.06 -0.97 -1.08 0.00 0.00 179.45 178.01 1u6s h ASN 257 N 0.75 -0.14 0.80 0.86 -0.73 -1.16 -2.56 115.58 113.41 1u6s h ASN 257 Ca 0.40 -0.01 -0.00 0.00 1.87 0.00 0.00 56.30 58.55 1u6s h ASN 257 Cb 0.39 0.04 -0.00 0.00 0.27 0.00 0.00 38.32 39.02 1u6s h ASN 257 CO -0.26 -0.08 -0.00 -0.07 -0.37 0.00 0.00 177.43 176.65 1u6s h LEU 258 N -0.18 0.00 -1.75 0.34 3.38 -0.68 -3.47 115.31 112.94 1u6s h LEU 258 Ca -0.02 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.58 1u6s h LEU 258 Cb 0.14 0.00 0.12 0.00 0.09 0.00 0.00 40.66 41.01 1u6s h LEU 258 CO 0.03 0.00 -0.80 0.00 0.09 0.00 0.00 178.44 177.75 1u6s n GLN 259 N -3.09 -5.63 -1.19 1.13 6.02 -0.70 -4.88 117.38 109.04 1u6s n GLN 259 Ca -0.00 0.74 -0.29 0.00 -0.01 0.00 0.00 57.00 57.44 1u6s n GLN 259 Cb 0.25 -5.52 0.17 0.00 1.02 0.00 0.00 30.24 26.17 1u6s n GLN 259 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1u6s s LEU 260 N -6.48 1.63 0.49 1.08 1.43 -1.24 -4.53 118.68 111.05 1u6s s LEU 260 Ca 0.02 1.17 -0.20 0.00 -1.03 0.00 0.00 54.13 54.09 1u6s s LEU 260 Cb -0.00 -3.37 -0.08 0.00 0.03 0.00 0.00 46.19 42.77 1u6s s LEU 260 CO 0.77 -3.10 1.03 0.00 0.23 0.00 0.00 176.35 175.28 1u6s s ARG 261 N -4.99 3.80 0.35 1.70 1.70 -1.26 -4.94 118.95 115.31 1u6s s ARG 261 Ca 0.65 1.32 0.16 0.00 -0.47 0.00 0.00 55.73 57.39 1u6s s ARG 261 Cb -0.18 -2.10 1.17 0.00 -0.57 0.00 0.00 34.95 33.27 1u6s s ARG 261 CO 0.57 -0.43 1.61 -1.35 -1.08 0.00 0.00 175.30 174.62 1u6s h PRO 262 N 1.48 0.11 -0.17 3.89 0.11 -1.99 -0.28 132.00 135.15 1u6s h PRO 262 Ca -0.49 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1u6s h PRO 262 Cb 1.22 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1u6s h PRO 262 CO 0.59 0.07 0.00 -0.40 -0.21 0.00 0.00 178.00 178.05 1u6s n ASP 263 N -5.22 1.41 -4.73 -2.05 5.75 -1.26 -4.91 116.55 105.53 1u6s n ASP 263 Ca 0.34 -1.73 -0.42 0.00 -0.01 0.00 0.00 54.79 52.96 1u6s n ASP 263 Cb 1.10 -0.11 -0.02 0.00 -1.03 0.00 0.00 41.12 41.06 1u6s n ASP 263 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1u6s n ALA 263 N 0.17 2.54 -2.66 2.12 0.00 -0.12 -4.95 120.51 117.61 1u6s n ALA 263 Ca 0.14 0.39 -0.41 0.00 0.00 0.00 0.00 53.44 53.56 1u6s n ALA 263 Cb 0.27 -2.47 -0.04 0.00 0.00 0.00 0.00 19.45 17.21 1u6s n ALA 263 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1u6s s VAL 264 N 0.46 4.87 -0.25 0.00 1.01 -0.27 -4.94 120.40 121.28 1u6s s VAL 264 Ca 0.69 1.61 -0.05 0.00 0.00 0.00 0.00 61.98 64.23 1u6s s VAL 264 Cb -0.51 -4.13 -0.00 0.00 0.00 0.00 0.00 36.38 31.73 1u6s s VAL 264 CO 0.42 -0.00 0.01 -0.69 0.00 0.00 0.00 175.10 174.84 1u6s s VAL 265 N 2.35 3.67 0.08 2.92 1.01 -1.26 -0.24 120.40 128.93 1u6s s VAL 265 Ca 0.37 -0.56 -0.35 0.00 0.00 0.00 0.00 61.98 61.44 1u6s s VAL 265 Cb -0.16 -2.77 -0.15 0.00 0.00 0.00 0.00 36.38 33.30 1u6s s VAL 265 CO 0.11 0.28 1.54 0.00 0.00 0.00 0.00 175.10 177.02 1u6s n ALA 266 N 4.83 0.38 -2.01 5.51 0.00 0.09 -4.89 120.51 124.42 1u6s n ALA 266 Ca -0.16 0.45 0.04 0.00 0.00 0.00 0.00 53.44 53.77 1u6s n ALA 266 Cb 0.50 -2.26 0.07 0.00 0.00 0.00 0.00 19.45 17.76 1u6s n ALA 266 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1u6s n ASN 267 N 3.59 1.11 0.21 0.00 5.15 -1.26 -4.85 115.26 119.21 1u6s n ASN 267 Ca 0.19 -2.58 0.13 0.00 -0.60 0.00 0.00 54.58 51.72 1u6s n ASN 267 Cb 0.24 -0.35 0.70 0.00 -0.53 0.00 0.00 39.78 39.85 1u6s n ASN 267 CO 0.00 0.00 0.00 -0.78 1.40 0.00 0.00 177.26 177.88 1u6s h ASP 268 N 0.66 0.00 -0.41 1.20 3.58 -1.90 -1.23 116.42 118.33 1u6s h ASP 268 Ca -0.10 0.00 0.12 0.00 0.42 0.00 0.00 57.03 57.47 1u6s h ASP 268 Cb 1.47 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 42.51 1u6s h ASP 268 CO 0.04 0.00 0.32 -0.29 -2.88 0.00 0.00 179.24 176.43 1u6s h ILE 269 N 0.00 0.69 -0.46 2.25 2.10 -1.89 -1.81 117.51 118.39 1u6s h ILE 269 Ca 0.00 0.00 0.08 0.00 1.08 0.00 0.00 64.86 66.02 1u6s h ILE 269 Cb 0.14 0.77 -0.10 0.00 -1.09 0.00 0.00 36.82 36.54 1u6s h ILE 269 CO 0.00 0.00 -0.38 -0.08 -1.08 0.00 0.00 178.15 176.61 1u6s h GLU 270 N 0.00 -0.25 -0.12 2.19 4.81 -1.34 0.32 114.58 120.19 1u6s h GLU 270 Ca 0.20 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.44 1u6s h GLU 270 Cb 0.84 0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.27 1u6s h GLU 270 CO -0.00 -0.17 0.00 0.72 -0.73 0.00 0.00 179.01 178.83 1u6s n HIS 271 N -5.42 0.15 -0.03 0.92 8.25 -1.19 0.38 115.22 118.29 1u6s n HIS 271 Ca 0.01 -0.30 -0.01 0.00 -0.26 0.00 0.00 57.72 57.16 1u6s n HIS 271 Cb 0.35 -0.02 -0.09 0.00 1.12 0.00 0.00 29.99 31.35 1u6s n HIS 271 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 1u6s n THR 272 N 0.17 0.43 -4.71 1.59 -1.04 -0.69 -3.76 114.28 106.27 1u6s n THR 272 Ca 0.05 -0.38 0.00 0.00 -2.04 0.00 0.00 64.05 61.68 1u6s n THR 272 Cb 0.27 -0.31 0.00 0.00 -1.82 0.00 0.00 70.33 68.47 1u6s n THR 272 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1u6s n GLY 273 N 2.12 -0.64 3.54 3.41 0.00 0.09 -4.31 105.19 109.40 1u6s n GLY 273 Ca -0.11 -1.06 -0.42 0.00 0.00 0.00 0.00 46.02 44.43 1u6s n GLY 273 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1u6s s ASN 274 N -4.00 6.36 -0.37 1.61 3.84 -0.20 -4.51 114.94 117.67 1u6s s ASN 274 Ca 0.00 -0.16 0.06 0.00 0.21 0.00 0.00 52.86 52.97 1u6s s ASN 274 Cb 0.00 -2.32 0.50 0.00 -0.55 0.00 0.00 41.25 38.88 1u6s s ASN 274 CO 0.00 -0.71 1.55 0.35 -2.79 0.00 0.00 177.10 175.50 1u6s n THR 275 N 5.75 2.80 0.00 -5.21 -2.24 -1.26 -1.62 114.28 112.50 1u6s n THR 275 Ca -0.02 -3.04 0.00 0.00 -2.27 0.00 0.00 64.05 58.73 1u6s n THR 275 Cb 0.48 -0.66 0.00 0.00 -2.10 0.00 0.00 70.33 68.06 1u6s n THR 275 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1u6s n SER 276 N -1.01 0.00 -0.03 3.42 7.64 -1.26 -0.86 113.62 121.52 1u6s n SER 276 Ca 0.43 0.00 0.24 0.00 1.01 0.00 0.00 58.87 60.55 1u6s n SER 276 Cb 1.02 0.00 0.72 0.00 -1.01 0.00 0.00 64.21 64.94 1u6s n SER 276 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1u6s h ALA 277 N 0.00 2.48 0.00 -0.43 0.00 -1.77 0.11 119.26 119.64 1u6s h ALA 277 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1u6s h ALA 277 Cb 0.00 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1u6s h ALA 277 CO 0.00 -0.86 -0.38 0.00 0.00 0.00 0.00 179.25 178.01 1u6s n ALA 278 N -2.53 2.74 -0.10 0.00 0.00 -0.04 -4.24 120.51 116.35 1u6s n ALA 278 Ca 0.12 -0.18 -0.09 0.00 0.00 0.00 0.00 53.44 53.30 1u6s n ALA 278 Cb 0.77 -1.28 -0.01 0.00 0.00 0.00 0.00 19.45 18.93 1u6s n ALA 278 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1u6s h SER 279 N 0.00 0.41 0.48 0.00 4.64 -0.63 -2.06 113.55 116.39 1u6s h SER 279 Ca 0.00 -0.04 -0.02 0.00 -0.47 0.00 0.00 61.79 61.25 1u6s h SER 279 Cb 0.70 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.70 1u6s h SER 279 CO 0.00 0.33 -0.23 0.40 -0.87 0.00 0.00 176.83 176.46 1u6s h ILE 280 N 0.45 0.46 -0.34 0.95 2.04 -1.80 0.05 117.51 119.32 1u6s h ILE 280 Ca 0.12 -0.35 0.00 0.00 1.00 0.00 0.00 64.86 65.63 1u6s h ILE 280 Cb -0.01 0.60 -0.02 0.00 -0.74 0.00 0.00 36.82 36.66 1u6s h ILE 280 CO -0.02 0.05 0.22 1.55 0.00 0.00 0.00 178.15 179.95 1u6s h PRO 281 N -0.88 0.45 -0.41 2.37 0.13 -1.86 0.18 132.00 131.98 1u6s h PRO 281 Ca -0.07 -0.03 -0.04 0.00 -0.87 0.00 0.00 66.00 64.99 1u6s h PRO 281 Cb 0.58 -0.10 -0.02 0.00 0.13 0.00 0.00 31.00 31.60 1u6s h PRO 281 CO 0.11 0.30 0.08 -0.07 -0.23 0.00 0.00 178.00 178.19 1u6s h LEU 282 N 0.46 0.64 -0.77 1.56 3.38 -1.24 -1.93 115.31 117.41 1u6s h LEU 282 Ca 0.12 -0.25 -0.08 0.00 0.09 0.00 0.00 57.88 57.77 1u6s h LEU 282 Cb -0.05 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 1u6s h LEU 282 CO -0.03 0.72 0.03 0.00 0.09 0.00 0.00 178.44 179.26 1u6s h ALA 283 N 0.94 0.97 -0.66 1.53 0.00 -0.11 -1.40 119.26 120.53 1u6s h ALA 283 Ca 0.13 -0.28 0.04 0.00 0.00 0.00 0.00 54.91 54.79 1u6s h ALA 283 Cb 0.34 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 1u6s h ALA 283 CO 0.00 0.63 0.40 0.52 0.00 0.00 0.00 179.25 180.80 1u6s h MET 284 N 0.90 0.75 -0.38 0.00 2.86 -0.54 -1.41 114.93 117.11 1u6s h MET 284 Ca 0.17 -0.04 -0.09 0.00 -2.06 0.00 0.00 59.70 57.67 1u6s h MET 284 Cb 0.48 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 31.95 1u6s h MET 284 CO 0.02 0.49 -0.15 0.00 1.06 0.00 0.00 176.91 178.33 1u6s h ALA 285 N 1.30 1.03 -0.35 6.32 0.00 -0.99 -1.88 119.26 124.69 1u6s h ALA 285 Ca 0.27 -0.32 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 1u6s h ALA 285 Cb 0.06 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1u6s h ALA 285 CO -0.12 0.58 -0.06 1.49 0.00 0.00 0.00 179.25 181.14 1u6s h GLU 286 N 0.62 0.66 -0.24 0.00 4.22 -0.84 0.31 114.58 119.31 1u6s h GLU 286 Ca 0.10 -0.24 -0.03 0.00 0.08 0.00 0.00 59.36 59.27 1u6s h GLU 286 Cb 0.61 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.80 1u6s h GLU 286 CO 0.04 0.81 0.02 -0.07 -2.18 0.00 0.00 179.01 177.63 1u6s h LEU 287 N 0.45 0.32 0.25 1.64 3.38 -1.08 -2.19 115.31 118.07 1u6s h LEU 287 Ca 0.09 -0.04 -0.33 0.00 0.09 0.00 0.00 57.88 57.69 1u6s h LEU 287 Cb 0.55 -0.08 0.04 0.00 0.09 0.00 0.00 40.66 41.25 1u6s h LEU 287 CO 0.03 0.36 -1.46 -0.07 0.09 0.00 0.00 178.44 177.39 1u6s h LEU 288 N 0.34 0.81 -1.44 1.67 3.38 -1.11 0.12 115.31 119.09 1u6s h LEU 288 Ca 0.08 -0.92 -0.03 0.00 0.09 0.00 0.00 57.88 57.10 1u6s h LEU 288 Cb 0.20 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.68 1u6s h LEU 288 CO 0.00 1.70 -0.15 0.71 0.09 0.00 0.00 178.44 180.80 1u6s h THR 289 N 0.11 0.43 0.00 0.22 1.35 -0.80 -2.61 112.91 111.61 1u6s h THR 289 Ca -0.26 -0.83 0.00 0.00 -0.55 0.00 0.00 66.41 64.78 1u6s h THR 289 Cb 2.13 1.59 0.00 0.00 -1.73 0.00 0.00 68.15 70.14 1u6s h THR 289 CO 0.26 0.15 -0.79 0.35 -0.25 0.00 0.00 175.52 175.24 1u6s n THR 290 N -3.38 0.09 -0.59 6.82 -2.24 -0.84 -4.96 114.28 109.19 1u6s n THR 290 Ca -0.00 -0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 1u6s n THR 290 Cb 0.35 0.32 0.00 0.00 -2.10 0.00 0.00 70.33 68.90 1u6s n THR 290 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1u6s n GLY 291 N 1.44 1.62 0.35 3.38 0.00 -0.99 -4.88 105.19 106.11 1u6s n GLY 291 Ca 0.04 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.12 1u6s n GLY 291 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u6s h ALA 292 N 0.00 1.71 -3.09 4.61 0.00 -1.68 -3.40 119.26 117.41 1u6s h ALA 292 Ca 0.00 -0.02 -0.62 0.00 0.00 0.00 0.00 54.91 54.27 1u6s h ALA 292 Cb 0.00 -0.19 -0.11 0.00 0.00 0.00 0.00 17.79 17.49 1u6s h ALA 292 CO 0.00 0.18 -0.65 0.00 0.00 0.00 0.00 179.25 178.78 1u6s s ALA 293 N -5.67 3.29 0.15 0.00 0.00 0.35 -4.91 121.76 114.96 1u6s s ALA 293 Ca -0.10 -1.23 0.11 0.00 0.00 0.00 0.00 51.96 50.74 1u6s s ALA 293 Cb 0.19 -1.13 -0.04 0.00 0.00 0.00 0.00 23.12 22.14 1u6s s ALA 293 CO 0.77 0.59 -0.25 0.15 0.00 0.00 0.00 175.76 177.02 1u6s s LYS 294 N -2.66 1.41 0.27 0.00 -0.14 -1.26 -4.42 119.74 112.94 1u6s s LYS 294 Ca 0.27 -1.39 -0.31 0.00 -1.36 0.00 0.00 55.97 53.18 1u6s s LYS 294 Cb -0.11 -1.82 -0.12 0.00 -1.68 0.00 0.00 37.83 34.10 1u6s s LYS 294 CO 0.19 0.42 1.58 -2.30 -0.76 0.00 0.00 175.35 174.48 1u6s n PRO 295 N 0.71 2.56 0.00 -1.68 -0.02 -1.26 -2.31 135.00 133.00 1u6s n PRO 295 Ca -0.16 0.91 0.00 0.00 -2.02 0.00 0.00 63.50 62.23 1u6s n PRO 295 Cb 0.54 -2.68 0.00 0.00 -0.02 0.00 0.00 33.50 31.34 1u6s n PRO 295 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1u6s n GLY 296 N 2.47 0.66 3.76 -1.23 0.00 -0.50 -4.94 105.19 105.41 1u6s n GLY 296 Ca 0.11 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.74 1u6s n GLY 296 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1u6s s ASP 297 N -2.16 5.60 -0.37 1.61 1.01 -0.98 -4.60 116.67 116.79 1u6s s ASP 297 Ca 0.00 2.64 -0.28 0.00 0.71 0.00 0.00 52.55 55.62 1u6s s ASP 297 Cb 0.00 -2.63 0.02 0.00 1.01 0.00 0.00 42.92 41.32 1u6s s ASP 297 CO 0.00 -1.33 1.06 -0.22 0.21 0.00 0.00 175.17 174.89 1u6s s LEU 298 N -3.29 3.87 0.02 1.23 2.96 -1.26 -1.37 118.68 120.84 1u6s s LEU 298 Ca 0.68 0.82 0.07 0.00 -0.22 0.00 0.00 54.13 55.48 1u6s s LEU 298 Cb -0.37 -3.49 -0.03 0.00 0.50 0.00 0.00 46.19 42.80 1u6s s LEU 298 CO 0.45 -0.96 -0.19 0.00 -1.32 0.00 0.00 176.35 174.32 1u6s s ALA 299 N 3.81 2.53 -0.24 5.97 0.00 0.58 -0.97 121.76 133.43 1u6s s ALA 299 Ca 0.45 -1.16 -0.06 0.00 0.00 0.00 0.00 51.96 51.18 1u6s s ALA 299 Cb -0.11 -0.73 -0.02 0.00 0.00 0.00 0.00 23.12 22.27 1u6s s ALA 299 CO 0.20 0.56 0.03 -1.17 0.00 0.00 0.00 175.76 175.38 1u6s s LEU 300 N -1.24 3.26 -0.18 0.00 2.96 -0.13 -0.90 118.68 122.45 1u6s s LEU 300 Ca 0.13 -0.30 -0.06 0.00 -0.22 0.00 0.00 54.13 53.68 1u6s s LEU 300 Cb -0.10 -1.85 -0.03 0.00 0.50 0.00 0.00 46.19 44.70 1u6s s LEU 300 CO 0.04 -0.04 0.02 -0.76 -1.32 0.00 0.00 176.35 174.29 1u6s s LEU 301 N 1.56 3.50 -0.20 -0.68 1.43 -0.51 -0.85 118.68 122.94 1u6s s LEU 301 Ca 0.06 -0.06 -0.01 0.00 -1.03 0.00 0.00 54.13 53.09 1u6s s LEU 301 Cb -0.15 -1.87 0.05 0.00 0.03 0.00 0.00 46.19 44.25 1u6s s LEU 301 CO 0.01 0.14 -0.02 -0.63 0.23 0.00 0.00 176.35 176.08 1u6s s ILE 302 N 0.56 1.03 -0.12 -0.59 1.01 -1.09 -1.98 121.20 120.03 1u6s s ILE 302 Ca 0.00 -0.79 -0.08 0.00 0.00 0.00 0.00 60.65 59.79 1u6s s ILE 302 Cb -0.14 -1.35 -0.04 0.00 0.01 0.00 0.00 42.46 40.94 1u6s s ILE 302 CO 0.02 -0.06 0.17 -0.83 0.00 0.00 0.00 174.94 174.23 1u6s s GLY 303 N 1.64 2.18 -0.05 6.18 0.00 0.36 0.03 107.32 117.66 1u6s s GLY 303 Ca -0.02 -0.60 -0.17 0.00 0.00 0.00 0.00 44.72 43.92 1u6s s GLY 303 CO -0.07 -0.29 0.39 -2.52 0.00 0.00 0.00 173.10 170.61 1u6s s TYR 304 N -0.92 -0.31 -4.03 1.90 -0.85 -1.26 -1.75 117.35 110.14 1u6s s TYR 304 Ca 0.15 0.58 0.00 0.00 -0.52 0.00 0.00 57.07 57.28 1u6s s TYR 304 Cb -0.12 0.16 0.00 0.00 0.38 0.00 0.00 41.96 42.37 1u6s s TYR 304 CO 0.04 -0.39 0.00 0.41 -1.52 0.00 0.00 175.55 174.10 1u6s n GLY 305 N 1.55 -0.42 3.36 5.49 0.00 -0.61 -4.40 105.19 110.15 1u6s n GLY 305 Ca -0.19 -0.76 -0.36 0.00 0.00 0.00 0.00 46.02 44.71 1u6s n GLY 305 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u6s n ALA 306 N -0.06 -2.51 0.00 4.61 0.00 -1.26 -0.47 120.51 120.82 1u6s n ALA 306 Ca 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.07 1u6s n ALA 306 Cb 0.00 -1.69 0.00 0.00 0.00 0.00 0.00 19.45 17.76 1u6s n ALA 306 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1u6s n GLY 307 N 1.98 2.54 1.95 0.00 0.00 -1.26 -2.51 105.19 107.89 1u6s n GLY 307 Ca 0.07 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.07 1u6s n GLY 307 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1u6s n LEU 308 N 0.00 -4.03 -4.28 0.99 7.99 -0.38 -4.00 117.00 113.30 1u6s n LEU 308 Ca 0.00 0.25 -0.22 0.00 -0.01 0.00 0.00 56.01 56.02 1u6s n LEU 308 Cb 0.00 -1.81 -0.12 0.00 -0.11 0.00 0.00 43.42 41.38 1u6s n LEU 308 CO 0.00 -0.86 -0.50 -0.44 -1.51 0.00 0.00 177.39 174.08 1u6s s SER 309 N -1.34 2.41 -0.08 -1.43 0.01 0.38 -0.33 113.70 113.33 1u6s s SER 309 Ca 0.07 -0.71 -0.15 0.00 1.31 0.00 0.00 55.95 56.47 1u6s s SER 309 Cb -0.02 -0.13 0.03 0.00 0.21 0.00 0.00 66.02 66.12 1u6s s SER 309 CO 0.26 0.01 0.36 -0.72 0.41 0.00 0.00 173.24 173.56 1u6s s TYR 310 N -1.37 -0.31 -0.13 2.43 -0.85 -0.59 -1.58 117.35 114.95 1u6s s TYR 310 Ca 0.07 0.66 -0.11 0.00 -0.52 0.00 0.00 57.07 57.17 1u6s s TYR 310 Cb -0.09 0.13 0.04 0.00 0.38 0.00 0.00 41.96 42.42 1u6s s TYR 310 CO 0.04 -0.30 0.33 0.00 -1.52 0.00 0.00 175.55 174.10 1u6s s ALA 311 N -0.57 -0.82 0.04 9.51 0.00 -0.72 -1.65 121.76 127.55 1u6s s ALA 311 Ca -0.07 0.99 -0.05 0.00 0.00 0.00 0.00 51.96 52.84 1u6s s ALA 311 Cb -0.04 -0.58 -0.01 0.00 0.00 0.00 0.00 23.12 22.49 1u6s s ALA 311 CO 0.03 -0.17 0.07 0.00 0.00 0.00 0.00 175.76 175.69 1u6s s ALA 312 N 0.36 -0.00 -0.06 0.00 0.00 0.11 -0.49 121.76 121.68 1u6s s ALA 312 Ca -0.01 -0.61 -0.29 0.00 0.00 0.00 0.00 51.96 51.05 1u6s s ALA 312 Cb -0.03 0.24 0.10 0.00 0.00 0.00 0.00 23.12 23.43 1u6s s ALA 312 CO -0.01 -0.31 0.85 1.14 0.00 0.00 0.00 175.76 177.43 1u6s s GLN 313 N -2.60 0.84 0.19 0.00 0.00 -0.84 -1.28 119.66 115.98 1u6s s GLN 313 Ca -0.05 -0.01 -0.19 0.00 -0.00 0.00 0.00 55.36 55.11 1u6s s GLN 313 Cb -0.01 0.39 -0.08 0.00 0.00 0.00 0.00 33.01 33.31 1u6s s GLN 313 CO -0.05 -0.31 0.68 0.08 0.00 0.00 0.00 175.29 175.69 1u6s s VAL 314 N -1.96 4.64 0.09 3.63 1.01 -1.26 -1.42 120.40 125.13 1u6s s VAL 314 Ca -0.02 1.19 -0.12 0.00 0.00 0.00 0.00 61.98 63.03 1u6s s VAL 314 Cb -0.01 -3.84 0.01 0.00 0.00 0.00 0.00 36.38 32.54 1u6s s VAL 314 CO -0.01 0.25 0.27 0.68 0.00 0.00 0.00 175.10 176.29 1u6s s VAL 315 N -1.47 0.11 -0.12 2.92 -7.23 -0.07 0.71 120.40 115.25 1u6s s VAL 315 Ca 0.41 -0.89 -0.19 0.00 -1.81 0.00 0.00 61.98 59.49 1u6s s VAL 315 Cb -0.17 -1.18 -0.04 0.00 0.56 0.00 0.00 36.38 35.55 1u6s s VAL 315 CO 0.21 -0.49 0.52 -0.13 -0.31 0.00 0.00 175.10 174.90 1u6s s ARG 316 N -3.50 4.35 0.31 4.82 0.52 0.24 -0.31 118.95 125.38 1u6s s ARG 316 Ca 0.02 0.53 -0.29 0.00 -0.52 0.00 0.00 55.73 55.46 1u6s s ARG 316 Cb 0.03 -3.45 -0.12 0.00 0.52 0.00 0.00 34.95 31.93 1u6s s ARG 316 CO -0.09 0.11 1.55 -1.33 0.02 0.00 0.00 175.30 175.56 1u6s n MET 317 N 3.79 2.66 0.00 3.54 2.81 -0.47 -4.48 117.12 124.96 1u6s n MET 317 Ca -0.06 0.94 0.00 0.00 -1.81 0.00 0.00 57.70 56.77 1u6s n MET 317 Cb 0.51 -2.70 0.00 0.00 -0.71 0.00 0.00 33.22 30.32 1u6s n MET 317 CO 0.00 0.00 0.00 -0.35 1.51 0.00 0.00 175.97 177.13 1u6s n PRO 317 N 1.67 1.33 -0.90 0.03 -0.04 -1.26 -1.40 135.00 134.42 1u6s n PRO 317 Ca 0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 1u6s n PRO 317 Cb 0.37 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.83 1u6s n PRO 317 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09