#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1w12 s ILE 17 N 0.00 4.92 0.00 1.39 -1.09 -0.21 -4.12 121.20 122.09 1w12 s ILE 17 Ca 0.00 1.63 0.00 0.00 -2.23 0.00 0.00 60.65 60.05 1w12 s ILE 17 Cb 0.00 -4.12 0.00 0.00 -1.58 0.00 0.00 42.46 36.76 1w12 s ILE 17 CO 0.00 0.26 0.00 0.61 -1.23 0.00 0.00 174.94 174.58 1w12 n GLY 18 N 2.85 0.49 7.00 6.18 0.00 -1.26 -2.60 105.19 117.86 1w12 n GLY 18 Ca -0.00 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.21 1w12 n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1w12 n GLY 19 N 0.00 1.01 3.45 -0.02 0.00 -1.26 -4.89 105.19 103.47 1w12 n GLY 19 Ca 0.00 -0.73 -0.10 0.00 0.00 0.00 0.00 46.02 45.20 1w12 n GLY 19 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1w12 s GLU 20 N 0.00 1.28 0.36 1.61 -1.05 -0.59 -5.01 118.70 115.30 1w12 s GLU 20 Ca 0.00 -0.93 -0.25 0.00 -0.15 0.00 0.00 54.97 53.65 1w12 s GLU 20 Cb 0.00 0.48 -0.10 0.00 -0.44 0.00 0.00 34.13 34.07 1w12 s GLU 20 CO 0.00 -0.52 0.97 -0.06 0.95 0.00 0.00 175.26 176.60 1w12 s PHE 21 N -3.89 3.52 0.00 4.83 0.40 -1.26 -1.56 117.98 120.03 1w12 s PHE 21 Ca 0.10 1.72 0.00 0.00 -0.60 0.00 0.00 56.93 58.15 1w12 s PHE 21 Cb 0.01 -2.96 0.00 0.00 0.51 0.00 0.00 43.02 40.57 1w12 s PHE 21 CO -0.03 -0.05 0.00 -2.37 0.70 0.00 0.00 175.22 173.46 1w12 n THR 22 N 0.20 0.00 -4.65 0.64 5.66 -0.26 -4.89 114.28 110.98 1w12 n THR 22 Ca 0.04 0.00 -0.29 0.00 -3.05 0.00 0.00 64.05 60.74 1w12 n THR 22 Cb 0.51 0.00 -0.09 0.00 -1.55 0.00 0.00 70.33 69.20 1w12 n THR 22 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1w12 s THR 23 N -2.55 1.15 -0.25 1.09 -4.23 -1.26 -4.19 115.64 105.40 1w12 s THR 23 Ca 0.00 -2.00 0.26 0.00 -1.18 0.00 0.00 61.69 58.77 1w12 s THR 23 Cb 0.00 -2.39 0.28 0.00 1.34 0.00 0.00 72.50 71.73 1w12 s THR 23 CO 0.00 0.00 1.80 -0.29 -0.54 0.00 0.00 174.62 175.59 1w12 h ILE 24 N 1.59 0.00 0.00 2.99 6.09 -1.88 -2.70 117.51 123.60 1w12 h ILE 24 Ca -0.41 -0.23 -0.07 0.00 -1.37 0.00 0.00 64.86 62.78 1w12 h ILE 24 Cb 1.29 0.98 -0.01 0.00 0.47 0.00 0.00 36.82 39.55 1w12 h ILE 24 CO 0.70 0.00 -0.32 -0.33 -3.07 0.00 0.00 178.15 175.13 1w12 h GLU 25 N 0.00 0.00 0.00 2.19 5.08 -1.87 0.77 114.58 120.75 1w12 h GLU 25 Ca 0.00 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 1w12 h GLU 25 Cb 0.30 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 1w12 h GLU 25 CO 0.00 0.32 -0.20 -0.97 -1.00 0.00 0.00 179.01 177.16 1w12 h ASN 26 N 0.00 0.00 -1.57 1.42 -1.24 -1.85 -3.36 115.58 108.98 1w12 h ASN 26 Ca -0.00 0.00 -0.47 0.00 0.71 0.00 0.00 56.30 56.54 1w12 h ASN 26 Cb 0.73 0.00 -0.34 0.00 0.73 0.00 0.00 38.32 39.44 1w12 h ASN 26 CO 0.04 0.20 -0.99 0.00 -1.29 0.00 0.00 177.43 175.39 1w12 n GLN 27 N -3.23 0.79 0.14 6.67 1.13 -0.77 -4.99 117.38 117.13 1w12 n GLN 27 Ca 0.02 -2.94 0.10 0.00 -1.94 0.00 0.00 57.00 52.23 1w12 n GLN 27 Cb 0.51 -1.35 0.51 0.00 0.11 0.00 0.00 30.24 30.03 1w12 n GLN 27 CO 0.00 0.00 0.00 -0.35 -1.44 0.00 0.00 177.06 175.27 1w12 n PRO 28 N 1.15 0.12 0.01 -1.09 -0.04 0.19 -1.70 135.00 133.65 1w12 n PRO 28 Ca 0.19 0.62 0.12 0.00 -0.04 0.00 0.00 63.50 64.39 1w12 n PRO 28 Cb 0.58 -1.90 0.25 0.00 -0.04 0.00 0.00 33.50 32.39 1w12 n PRO 28 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1w12 n TRP 29 N -2.16 0.12 -2.14 0.54 2.14 -1.11 -1.96 117.44 112.88 1w12 n TRP 29 Ca -0.01 0.03 -0.42 0.00 2.07 0.00 0.00 57.50 59.17 1w12 n TRP 29 Cb 0.03 -0.35 -0.03 0.00 -0.81 0.00 0.00 31.31 30.16 1w12 n TRP 29 CO 0.00 0.00 0.00 0.12 2.07 0.00 0.00 177.69 179.88 1w12 s PHE 30 N -3.04 2.71 -0.13 -2.67 2.19 -0.69 -1.16 117.98 115.19 1w12 s PHE 30 Ca 0.10 0.66 -0.03 0.00 0.33 0.00 0.00 56.93 58.00 1w12 s PHE 30 Cb 0.17 -3.75 -0.03 0.00 -1.31 0.00 0.00 43.02 38.10 1w12 s PHE 30 CO 0.70 -2.87 -0.04 0.00 1.83 0.00 0.00 175.22 174.83 1w12 s ALA 31 N 2.52 3.01 -0.23 11.12 0.00 -0.72 -4.26 121.76 133.19 1w12 s ALA 31 Ca 0.67 -0.83 -0.09 0.00 0.00 0.00 0.00 51.96 51.70 1w12 s ALA 31 Cb -0.34 -1.48 -0.04 0.00 0.00 0.00 0.00 23.12 21.26 1w12 s ALA 31 CO 0.28 0.31 0.12 0.00 0.00 0.00 0.00 175.76 176.47 1w12 s ALA 32 N 0.05 3.46 -0.19 0.00 0.00 -0.21 -0.59 121.76 124.28 1w12 s ALA 32 Ca -0.00 -0.92 -0.06 0.00 0.00 0.00 0.00 51.96 50.97 1w12 s ALA 32 Cb -0.13 -2.19 -0.04 0.00 0.00 0.00 0.00 23.12 20.76 1w12 s ALA 32 CO 0.03 -0.20 0.04 0.42 0.00 0.00 0.00 175.76 176.05 1w12 s ILE 33 N 1.07 4.46 0.27 0.00 1.01 0.02 -1.21 121.20 126.83 1w12 s ILE 33 Ca 0.06 -0.15 0.11 0.00 0.00 0.00 0.00 60.65 60.68 1w12 s ILE 33 Cb -0.14 -3.01 -0.05 0.00 0.01 0.00 0.00 42.46 39.27 1w12 s ILE 33 CO 0.04 0.45 -0.16 -0.31 0.00 0.00 0.00 174.94 174.96 1w12 s TYR 34 N 0.58 2.38 0.01 3.97 2.02 0.48 -0.90 117.35 125.89 1w12 s TYR 34 Ca 0.02 -0.31 -0.00 0.00 -0.37 0.00 0.00 57.07 56.41 1w12 s TYR 34 Cb -0.13 -1.04 -0.01 0.00 -0.40 0.00 0.00 41.96 40.38 1w12 s TYR 34 CO 0.02 0.69 -0.01 0.50 -1.57 0.00 0.00 175.55 175.18 1w12 s ARG 35 N -3.51 0.16 -0.17 -0.62 3.52 -0.21 -0.70 118.95 117.43 1w12 s ARG 35 Ca 0.30 -0.31 -0.19 0.00 -0.13 0.00 0.00 55.73 55.40 1w12 s ARG 35 Cb -0.05 0.06 -0.04 0.00 -1.56 0.00 0.00 34.95 33.36 1w12 s ARG 35 CO 0.16 -0.03 0.51 1.03 -0.81 0.00 0.00 175.30 176.17 1w12 s ARG 36 N -0.75 4.25 0.50 5.12 0.52 0.22 -1.53 118.95 127.29 1w12 s ARG 36 Ca -0.08 0.45 0.08 0.00 -0.52 0.00 0.00 55.73 55.66 1w12 s ARG 36 Cb -0.05 -3.51 0.04 0.00 0.52 0.00 0.00 34.95 31.94 1w12 s ARG 36 CO -0.00 -0.04 0.55 -1.01 0.02 0.00 0.00 175.30 174.82 1w12 s HIS 37 N 1.26 1.99 -1.08 -0.53 3.76 0.53 -4.92 115.29 116.30 1w12 s HIS 37 Ca 0.25 -0.65 -0.22 0.00 -0.15 0.00 0.00 55.06 54.29 1w12 s HIS 37 Cb -0.15 -2.14 0.03 0.00 1.11 0.00 0.00 32.58 31.42 1w12 s HIS 37 CO 0.10 -0.60 1.64 0.50 -0.85 0.00 0.00 174.74 175.52 1w12 s ARG 37 N -4.38 3.43 0.00 1.40 6.06 -1.26 -4.08 118.95 120.12 1w12 s ARG 37 Ca 0.50 -1.19 0.00 0.00 -2.50 0.00 0.00 55.73 52.53 1w12 s ARG 37 Cb -0.05 -5.34 0.00 0.00 0.06 0.00 0.00 34.95 29.62 1w12 s ARG 37 CO 0.30 -2.55 0.00 0.41 -2.50 0.00 0.00 175.30 170.97 1w12 n GLY 37 N 6.46 0.00 3.79 8.12 0.00 -1.26 -5.08 105.19 117.22 1w12 n GLY 37 Ca 0.39 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.09 1w12 n GLY 37 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1w12 s SER 37 N -0.28 5.68 -0.12 1.61 1.04 -1.26 -5.11 113.70 115.27 1w12 s SER 37 Ca 0.00 0.09 0.02 0.00 0.48 0.00 0.00 55.95 56.53 1w12 s SER 37 Cb 0.00 -1.60 0.01 0.00 0.10 0.00 0.00 66.02 64.54 1w12 s SER 37 CO 0.00 0.21 -0.17 -0.69 0.98 0.00 0.00 173.24 173.58 1w12 s VAL 38 N -1.32 1.66 0.18 5.02 1.01 -1.26 -0.34 120.40 125.34 1w12 s VAL 38 Ca 0.27 -0.73 0.07 0.00 0.00 0.00 0.00 61.98 61.58 1w12 s VAL 38 Cb -0.12 -1.50 -0.04 0.00 0.00 0.00 0.00 36.38 34.71 1w12 s VAL 38 CO 0.19 0.47 -0.13 0.42 0.00 0.00 0.00 175.10 176.05 1w12 s THR 39 N 0.99 1.52 0.07 3.92 -4.23 -0.58 -4.96 115.64 112.37 1w12 s THR 39 Ca -0.05 -2.11 -0.30 0.00 -1.18 0.00 0.00 61.69 58.05 1w12 s THR 39 Cb -0.15 -1.92 -0.05 0.00 1.34 0.00 0.00 72.50 71.72 1w12 s THR 39 CO -0.03 -0.62 0.97 -0.47 -0.54 0.00 0.00 174.62 173.93 1w12 s TYR 40 N -2.97 3.76 -0.10 3.99 5.04 -1.26 -1.04 117.35 124.76 1w12 s TYR 40 Ca 0.19 1.77 -0.12 0.00 -2.44 0.00 0.00 57.07 56.47 1w12 s TYR 40 Cb -0.00 -3.07 -0.05 0.00 0.35 0.00 0.00 41.96 39.19 1w12 s TYR 40 CO 0.04 0.14 -0.23 0.28 -1.34 0.00 0.00 175.55 174.44 1w12 n VAL 41 N 3.14 1.35 -3.84 3.14 0.31 -0.08 -4.92 118.33 117.44 1w12 n VAL 41 Ca 0.03 0.15 -0.10 0.00 -0.01 0.00 0.00 64.34 64.41 1w12 n VAL 41 Cb 0.50 -2.04 0.00 0.00 -0.91 0.00 0.00 33.84 31.39 1w12 n VAL 41 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1w12 s GLY 43 N -2.92 2.36 0.20 0.00 0.00 0.48 -0.80 107.32 106.64 1w12 s GLY 43 Ca 0.19 -1.37 -0.11 0.00 0.00 0.00 0.00 44.72 43.44 1w12 s GLY 43 CO 0.14 -1.92 0.56 0.61 0.00 0.00 0.00 173.10 172.49 1w12 n GLY 44 N -1.70 1.18 2.92 0.20 0.00 0.24 -3.66 105.19 104.36 1w12 n GLY 44 Ca -0.01 -1.13 -0.13 0.00 0.00 0.00 0.00 46.02 44.74 1w12 n GLY 44 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1w12 s SER 45 N -2.40 -0.07 -0.51 1.61 0.01 -0.56 -1.75 113.70 110.03 1w12 s SER 45 Ca 0.12 0.20 -0.29 0.00 1.31 0.00 0.00 55.95 57.29 1w12 s SER 45 Cb -0.03 0.14 0.03 0.00 0.21 0.00 0.00 66.02 66.38 1w12 s SER 45 CO 0.06 -0.10 1.15 -0.22 0.41 0.00 0.00 173.24 174.54 1w12 s LEU 46 N 0.67 3.60 0.01 2.44 2.96 -0.31 -0.98 118.68 127.07 1w12 s LEU 46 Ca -0.05 0.35 0.17 0.00 -0.22 0.00 0.00 54.13 54.37 1w12 s LEU 46 Cb -0.07 -3.43 -0.17 0.00 0.50 0.00 0.00 46.19 43.02 1w12 s LEU 46 CO -0.03 -1.32 0.69 2.30 -1.32 0.00 0.00 176.35 176.68 1w12 n ILE 47 N 6.79 1.17 -4.07 6.68 -5.35 -0.25 -1.38 119.36 122.94 1w12 n ILE 47 Ca 0.11 -0.71 -0.10 0.00 -0.27 0.00 0.00 62.75 61.78 1w12 n ILE 47 Cb 0.49 -0.68 -0.08 0.00 -1.74 0.00 0.00 39.64 37.63 1w12 n ILE 47 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 1w12 s SER 48 N -5.68 0.07 0.50 7.28 1.04 -1.17 -4.62 113.70 111.12 1w12 s SER 48 Ca -0.04 -1.09 0.19 0.00 0.48 0.00 0.00 55.95 55.49 1w12 s SER 48 Cb 0.09 0.45 1.25 0.00 0.10 0.00 0.00 66.02 67.90 1w12 s SER 48 CO 0.82 -0.93 2.03 -0.65 0.98 0.00 0.00 173.24 175.49 1w12 h PRO 49 N 2.52 0.13 -0.01 4.02 0.11 -1.93 -2.83 132.00 134.01 1w12 h PRO 49 Ca -0.32 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.78 1w12 h PRO 49 Cb 1.24 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1w12 h PRO 49 CO 0.47 0.09 -0.29 0.00 -0.21 0.00 0.00 178.00 178.06 1w12 s TRP 51 N -1.77 2.58 -0.04 0.00 0.52 -1.07 -1.55 118.94 117.61 1w12 s TRP 51 Ca 0.13 -0.75 0.06 0.00 0.02 0.00 0.00 56.10 55.56 1w12 s TRP 51 Cb 0.12 -1.69 -0.01 0.00 -1.15 0.00 0.00 33.47 30.75 1w12 s TRP 51 CO 0.37 -0.24 -0.23 0.08 0.02 0.00 0.00 176.95 176.95 1w12 s VAL 52 N 0.04 1.84 -0.06 4.03 1.01 -0.01 -1.09 120.40 126.17 1w12 s VAL 52 Ca -0.08 -0.96 0.02 0.00 0.00 0.00 0.00 61.98 60.96 1w12 s VAL 52 Cb -0.15 -1.56 -0.03 0.00 0.00 0.00 0.00 36.38 34.64 1w12 s VAL 52 CO 0.05 0.52 -0.10 -0.51 0.00 0.00 0.00 175.10 175.07 1w12 s ILE 53 N -0.21 3.47 0.00 2.22 2.07 -0.15 0.32 121.20 128.92 1w12 s ILE 53 Ca -0.00 -0.59 0.00 0.00 -1.41 0.00 0.00 60.65 58.65 1w12 s ILE 53 Cb -0.12 -2.40 0.00 0.00 0.13 0.00 0.00 42.46 40.07 1w12 s ILE 53 CO 0.02 0.58 0.00 -0.24 -1.91 0.00 0.00 174.94 173.39 1w12 n SER 54 N 2.20 0.00 -4.76 4.50 2.88 0.64 -1.50 113.62 117.59 1w12 n SER 54 Ca -0.17 -0.23 -0.35 0.00 -1.33 0.00 0.00 58.87 56.79 1w12 n SER 54 Cb 0.53 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.91 1w12 n SER 54 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1w12 s ALA 55 N -1.51 3.51 0.29 -1.46 0.00 -1.26 0.91 121.76 122.24 1w12 s ALA 55 Ca 0.00 -0.80 -0.01 0.00 0.00 0.00 0.00 51.96 51.15 1w12 s ALA 55 Cb 0.00 -1.61 0.43 0.00 0.00 0.00 0.00 23.12 21.94 1w12 s ALA 55 CO 0.00 0.63 1.87 1.15 0.00 0.00 0.00 175.76 179.41 1w12 h THR 56 N 3.77 1.22 0.00 0.00 2.02 -1.73 -2.69 112.91 115.49 1w12 h THR 56 Ca -0.51 -0.69 0.00 0.00 0.77 0.00 0.00 66.41 65.98 1w12 h THR 56 Cb 1.20 0.51 0.00 0.00 -1.74 0.00 0.00 68.15 68.12 1w12 h THR 56 CO 0.58 0.27 0.00 0.00 0.37 0.00 0.00 175.52 176.74 1w12 n HIS 57 N -4.31 0.25 0.23 3.16 1.44 -1.26 -0.74 115.22 113.99 1w12 n HIS 57 Ca 0.05 0.13 0.12 0.00 -2.01 0.00 0.00 57.72 56.01 1w12 n HIS 57 Cb 0.17 -0.70 0.31 0.00 0.12 0.00 0.00 29.99 29.89 1w12 n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1w12 n PHE 59 N -3.14 0.00 -0.34 0.00 3.72 0.09 -4.85 117.46 112.93 1w12 n PHE 59 Ca 0.03 0.00 0.18 0.00 -0.05 0.00 0.00 57.45 57.61 1w12 n PHE 59 Cb 0.49 0.00 0.41 0.00 -0.94 0.00 0.00 39.48 39.44 1w12 n PHE 59 CO 0.00 0.00 0.00 0.97 -0.05 0.00 0.00 176.76 177.68 1w12 h ILE 60 N 0.00 0.55 0.00 4.37 6.09 -1.40 -1.41 117.51 125.70 1w12 h ILE 60 Ca 0.00 -0.19 -0.03 0.00 -1.37 0.00 0.00 64.86 63.27 1w12 h ILE 60 Cb 0.00 -0.06 -0.00 0.00 0.47 0.00 0.00 36.82 37.23 1w12 h ILE 60 CO 0.00 0.10 -0.12 0.44 -3.07 0.00 0.00 178.15 175.50 1w12 h ASP 60 N 0.56 0.00 -2.22 2.19 3.32 -1.88 -3.38 116.42 115.00 1w12 h ASP 60 Ca 0.63 0.00 -0.58 0.00 0.02 0.00 0.00 57.03 57.10 1w12 h ASP 60 Cb 1.26 0.00 -0.39 0.00 0.22 0.00 0.00 39.33 40.43 1w12 h ASP 60 CO -0.43 0.12 -1.02 -1.22 -1.72 0.00 0.00 179.24 174.97 1w12 n TYR 60 N -3.13 -0.54 0.88 4.55 4.02 -0.58 -4.99 117.16 117.37 1w12 n TYR 60 Ca 0.03 -3.45 0.00 0.00 -0.01 0.00 0.00 57.90 54.48 1w12 n TYR 60 Cb 0.57 -0.02 0.03 0.00 -0.02 0.00 0.00 39.34 39.89 1w12 n TYR 60 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 176.86 173.55 1w12 n PRO 60 N 2.19 0.44 -2.76 -0.72 -0.02 -0.93 -4.75 135.00 128.45 1w12 n PRO 60 Ca 0.26 0.00 -0.43 0.00 -2.02 0.00 0.00 63.50 61.31 1w12 n PRO 60 Cb 0.50 -1.03 -0.04 0.00 -0.02 0.00 0.00 33.50 32.91 1w12 n PRO 60 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1w12 s LYS 61 N -2.00 3.42 0.63 -0.52 2.20 -1.26 -4.91 119.74 117.30 1w12 s LYS 61 Ca 0.01 -0.04 0.40 0.00 -0.36 0.00 0.00 55.97 55.98 1w12 s LYS 61 Cb 0.01 -4.02 2.16 0.00 -1.51 0.00 0.00 37.83 34.46 1w12 s LYS 61 CO 0.01 -1.51 2.30 1.57 -0.36 0.00 0.00 175.35 177.36 1w12 h LYS 62 N 9.35 0.00 0.00 4.03 2.10 -1.92 -2.47 116.57 127.66 1w12 h LYS 62 Ca -0.25 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.40 1w12 h LYS 62 Cb 1.07 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.40 1w12 h LYS 62 CO 1.11 0.01 0.00 0.39 -2.00 0.00 0.00 179.45 178.96 1w12 n GLU 62 N -3.28 0.15 -0.03 0.07 -0.58 -1.26 -3.26 120.64 112.45 1w12 n GLU 62 Ca -0.03 0.20 0.13 0.00 -0.42 0.00 0.00 57.16 57.04 1w12 n GLU 62 Cb 0.10 -1.70 0.45 0.00 -0.57 0.00 0.00 31.44 29.73 1w12 n GLU 62 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1w12 n ASP 63 N -1.97 1.64 -4.72 1.62 8.00 -0.93 -4.93 116.55 115.26 1w12 n ASP 63 Ca 0.05 -1.60 -0.31 0.00 0.71 0.00 0.00 54.79 53.65 1w12 n ASP 63 Cb 0.34 -0.04 -0.08 0.00 -0.02 0.00 0.00 41.12 41.33 1w12 n ASP 63 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1w12 s TYR 64 N -1.92 3.08 -0.05 1.24 1.51 -1.20 -0.61 117.35 119.40 1w12 s TYR 64 Ca 0.36 0.03 0.02 0.00 -1.01 0.00 0.00 57.07 56.46 1w12 s TYR 64 Cb 0.20 -1.59 0.02 0.00 -0.11 0.00 0.00 41.96 40.48 1w12 s TYR 64 CO 0.31 0.49 -0.08 0.42 -1.11 0.00 0.00 175.55 175.58 1w12 s ILE 65 N -1.31 0.80 -0.08 2.71 1.01 0.12 -4.24 121.20 120.21 1w12 s ILE 65 Ca 0.26 -0.29 0.03 0.00 0.00 0.00 0.00 60.65 60.65 1w12 s ILE 65 Cb -0.12 -0.76 -0.02 0.00 0.01 0.00 0.00 42.46 41.57 1w12 s ILE 65 CO 0.18 0.28 -0.16 -0.69 0.00 0.00 0.00 174.94 174.55 1w12 s VAL 66 N 0.73 2.83 -0.07 2.92 1.01 -0.62 -0.38 120.40 126.80 1w12 s VAL 66 Ca -0.12 -0.78 0.05 0.00 0.00 0.00 0.00 61.98 61.13 1w12 s VAL 66 Cb -0.14 -2.13 -0.00 0.00 0.00 0.00 0.00 36.38 34.11 1w12 s VAL 66 CO 0.02 0.56 -0.23 -0.31 0.00 0.00 0.00 175.10 175.14 1w12 s TYR 67 N -0.16 2.32 -0.02 5.22 2.02 -0.35 -0.37 117.35 126.01 1w12 s TYR 67 Ca -0.01 -0.81 0.07 0.00 -0.37 0.00 0.00 57.07 55.94 1w12 s TYR 67 Cb -0.14 -1.55 -0.02 0.00 -0.40 0.00 0.00 41.96 39.86 1w12 s TYR 67 CO 0.03 -0.30 -0.23 -0.51 -1.57 0.00 0.00 175.55 172.98 1w12 s LEU 68 N 0.14 2.27 -0.37 -1.29 1.43 -0.89 -1.04 118.68 118.92 1w12 s LEU 68 Ca -0.11 -0.41 0.00 0.00 -1.03 0.00 0.00 54.13 52.58 1w12 s LEU 68 Cb -0.15 -1.40 0.00 0.00 0.03 0.00 0.00 46.19 44.67 1w12 s LEU 68 CO 0.06 0.32 0.00 0.61 0.23 0.00 0.00 176.35 177.56 1w12 n GLY 69 N 2.29 0.63 3.57 -3.19 0.00 -1.26 -1.40 105.19 105.83 1w12 n GLY 69 Ca -0.16 -0.91 -0.37 0.00 0.00 0.00 0.00 46.02 44.57 1w12 n GLY 69 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1w12 s ARG 70 N -2.37 3.90 0.01 1.61 3.52 -1.26 -4.14 118.95 120.21 1w12 s ARG 70 Ca 0.00 -0.35 0.22 0.00 -0.13 0.00 0.00 55.73 55.47 1w12 s ARG 70 Cb 0.00 -3.56 -0.14 0.00 -1.56 0.00 0.00 34.95 29.69 1w12 s ARG 70 CO 0.00 -0.14 0.87 0.43 -0.81 0.00 0.00 175.30 175.65 1w12 n SER 71 N 4.88 0.64 -4.33 -2.12 7.64 -1.26 -4.75 113.62 114.32 1w12 n SER 71 Ca -0.15 -0.52 -0.22 0.00 1.01 0.00 0.00 58.87 58.99 1w12 n SER 71 Cb 0.52 1.13 -0.11 0.00 -1.01 0.00 0.00 64.21 64.74 1w12 n SER 71 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1w12 s ARG 72 N -3.17 1.27 0.10 1.43 1.81 -1.26 -2.06 118.95 117.07 1w12 s ARG 72 Ca 0.03 -1.40 -0.07 0.00 -1.72 0.00 0.00 55.73 52.57 1w12 s ARG 72 Cb 0.15 -1.34 -0.18 0.00 -0.45 0.00 0.00 34.95 33.13 1w12 s ARG 72 CO 0.85 0.27 1.22 -0.07 -0.68 0.00 0.00 175.30 176.90 1w12 h LEU 73 N 3.28 0.62 0.00 2.53 3.38 -1.64 -3.43 115.31 120.04 1w12 h LEU 73 Ca -0.42 -0.54 0.00 0.00 0.09 0.00 0.00 57.88 57.00 1w12 h LEU 73 Cb 1.21 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.76 1w12 h LEU 73 CO 0.51 1.36 -0.97 0.59 0.09 0.00 0.00 178.44 180.01 1w12 n ASN 74 N -3.73 0.00 -4.74 -0.43 3.02 -1.26 -5.07 115.26 103.05 1w12 n ASN 74 Ca -0.09 0.00 -0.31 0.00 -0.03 0.00 0.00 54.58 54.15 1w12 n ASN 74 Cb 0.90 -0.00 0.11 0.00 -0.61 0.00 0.00 39.78 40.18 1w12 n ASN 74 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1w12 s SER 75 N -5.00 4.07 0.40 6.41 1.04 -1.26 -5.02 113.70 114.34 1w12 s SER 75 Ca 0.00 1.93 -0.11 0.00 0.48 0.00 0.00 55.95 58.25 1w12 s SER 75 Cb 0.00 -2.53 -0.06 0.00 0.10 0.00 0.00 66.02 63.52 1w12 s SER 75 CO 0.00 -2.33 0.76 0.20 0.98 0.00 0.00 173.24 172.86 1w12 s ASN 76 N -3.19 6.53 -0.08 7.02 0.01 -1.26 -4.61 114.94 119.36 1w12 s ASN 76 Ca 0.63 1.13 0.01 0.00 -0.71 0.00 0.00 52.86 53.92 1w12 s ASN 76 Cb -0.19 -2.32 0.02 0.00 0.41 0.00 0.00 41.25 39.17 1w12 s ASN 76 CO 0.56 -0.39 -0.10 -0.89 -1.51 0.00 0.00 177.10 174.78 1w12 s THR 77 N -2.35 1.06 0.18 1.60 2.01 -1.26 -4.95 115.64 111.93 1w12 s THR 77 Ca 0.51 -0.39 -0.32 0.00 0.31 0.00 0.00 61.69 61.81 1w12 s THR 77 Cb -0.10 -1.02 -0.11 0.00 0.01 0.00 0.00 72.50 71.28 1w12 s THR 77 CO 0.31 0.35 1.64 -1.58 -0.69 0.00 0.00 174.62 174.64 1w12 s GLN 78 N 1.09 4.18 0.00 4.92 0.74 -1.26 -2.65 119.66 126.68 1w12 s GLN 78 Ca -0.07 2.46 0.00 0.00 0.05 0.00 0.00 55.36 57.80 1w12 s GLN 78 Cb -0.14 -3.15 0.00 0.00 1.10 0.00 0.00 33.01 30.81 1w12 s GLN 78 CO -0.01 -0.67 0.00 0.41 -0.55 0.00 0.00 175.29 174.47 1w12 n GLY 79 N 3.86 0.40 3.79 2.59 0.00 -1.26 -5.05 105.19 109.51 1w12 n GLY 79 Ca 0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.86 1w12 n GLY 79 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1w12 s GLU 80 N -1.00 2.50 -0.02 1.61 -1.05 -1.08 -4.82 118.70 114.84 1w12 s GLU 80 Ca 0.00 1.10 0.00 0.00 -0.15 0.00 0.00 54.97 55.92 1w12 s GLU 80 Cb 0.00 -1.93 0.02 0.00 -0.44 0.00 0.00 34.13 31.78 1w12 s GLU 80 CO 0.00 -1.45 0.01 -1.64 0.95 0.00 0.00 175.26 173.13 1w12 s MET 81 N -4.94 0.14 0.07 -4.83 -1.94 -0.49 -5.00 119.30 102.31 1w12 s MET 81 Ca 0.60 0.09 -0.15 0.00 -1.71 0.00 0.00 55.69 54.52 1w12 s MET 81 Cb -0.16 -0.32 -0.06 0.00 2.01 0.00 0.00 34.83 36.29 1w12 s MET 81 CO 0.55 -0.11 0.49 0.21 -0.01 0.00 0.00 175.02 176.15 1w12 s LYS 82 N 0.82 3.99 0.02 2.03 2.20 -1.26 -2.10 119.74 125.44 1w12 s LYS 82 Ca -0.08 0.49 0.00 0.00 -0.36 0.00 0.00 55.97 56.03 1w12 s LYS 82 Cb -0.11 -3.13 -0.02 0.00 -1.51 0.00 0.00 37.83 33.07 1w12 s LYS 82 CO -0.02 0.61 -0.03 -0.06 -0.36 0.00 0.00 175.35 175.49 1w12 s PHE 83 N -1.22 0.28 0.25 4.03 0.08 0.50 -4.56 117.98 117.33 1w12 s PHE 83 Ca 0.30 -0.44 0.05 0.00 0.12 0.00 0.00 56.93 56.96 1w12 s PHE 83 Cb -0.17 -0.19 -0.03 0.00 -0.57 0.00 0.00 43.02 42.06 1w12 s PHE 83 CO 0.17 -0.15 0.36 -1.21 -0.10 0.00 0.00 175.22 174.29 1w12 s GLU 84 N -1.24 3.39 -0.49 0.44 0.41 0.52 -1.60 118.70 120.13 1w12 s GLU 84 Ca -0.13 -0.80 -0.16 0.00 -0.41 0.00 0.00 54.97 53.48 1w12 s GLU 84 Cb -0.08 -2.87 0.08 0.00 -1.78 0.00 0.00 34.13 29.48 1w12 s GLU 84 CO -0.01 0.40 0.43 0.08 -0.49 0.00 0.00 175.26 175.67 1w12 s VAL 85 N -2.00 5.22 0.13 2.63 1.01 -1.26 -1.84 120.40 124.29 1w12 s VAL 85 Ca 0.35 -1.14 -0.10 0.00 0.00 0.00 0.00 61.98 61.08 1w12 s VAL 85 Cb -0.09 -4.18 -0.10 0.00 0.00 0.00 0.00 36.38 32.01 1w12 s VAL 85 CO 0.29 -0.65 1.39 -0.08 0.00 0.00 0.00 175.10 176.05 1w12 h GLU 86 N 8.79 0.79 -3.23 2.72 4.81 -1.18 -3.43 114.58 123.85 1w12 h GLU 86 Ca -0.29 -0.55 -0.21 0.00 -0.13 0.00 0.00 59.36 58.19 1w12 h GLU 86 Cb 1.11 0.08 -0.29 0.00 0.63 0.00 0.00 28.75 30.28 1w12 h GLU 86 CO 0.92 1.17 -0.54 1.21 -0.73 0.00 0.00 179.01 181.04 1w12 s ASN 87 N -6.99 -0.17 -0.27 1.04 3.04 -1.18 -4.98 114.94 105.42 1w12 s ASN 87 Ca -0.10 0.37 0.01 0.00 0.04 0.00 0.00 52.86 53.17 1w12 s ASN 87 Cb 0.10 0.30 0.05 0.00 -1.54 0.00 0.00 41.25 40.16 1w12 s ASN 87 CO 0.89 -0.11 -0.06 -0.22 -3.04 0.00 0.00 177.10 174.55 1w12 s LEU 88 N 0.73 3.56 -0.31 3.21 2.96 -1.26 -1.07 118.68 126.50 1w12 s LEU 88 Ca -0.05 -1.27 -0.07 0.00 -0.22 0.00 0.00 54.13 52.52 1w12 s LEU 88 Cb -0.07 -1.62 0.02 0.00 0.50 0.00 0.00 46.19 45.02 1w12 s LEU 88 CO -0.04 -0.21 0.09 -0.63 -1.32 0.00 0.00 176.35 174.25 1w12 s ILE 89 N 1.19 3.93 -0.07 6.68 1.01 0.07 -5.01 121.20 129.00 1w12 s ILE 89 Ca -0.06 -0.83 -0.03 0.00 0.00 0.00 0.00 60.65 59.73 1w12 s ILE 89 Cb -0.19 -3.09 -0.04 0.00 0.01 0.00 0.00 42.46 39.15 1w12 s ILE 89 CO -0.04 -0.01 0.07 -0.76 0.00 0.00 0.00 174.94 174.20 1w12 s LEU 90 N 1.47 3.92 0.23 2.97 1.43 -1.26 -1.55 118.68 125.89 1w12 s LEU 90 Ca 0.01 0.24 -0.31 0.00 -1.03 0.00 0.00 54.13 53.05 1w12 s LEU 90 Cb -0.18 -2.04 -0.10 0.00 0.03 0.00 0.00 46.19 43.90 1w12 s LEU 90 CO 0.03 0.35 1.51 -2.28 0.23 0.00 0.00 176.35 176.20 1w12 s HIS 91 N -1.03 2.98 0.22 0.29 5.65 -1.21 -4.91 115.29 117.28 1w12 s HIS 91 Ca 0.17 0.84 -0.07 0.00 0.25 0.00 0.00 55.06 56.26 1w12 s HIS 91 Cb -0.12 -3.91 0.20 0.00 -1.18 0.00 0.00 32.58 27.57 1w12 s HIS 91 CO 0.06 -3.11 1.78 -0.22 -0.65 0.00 0.00 174.74 172.61 1w12 h LYS 92 N 5.57 1.14 -0.78 2.88 3.64 -1.94 -2.89 116.57 124.19 1w12 h LYS 92 Ca -0.45 -0.21 0.00 0.00 -1.27 0.00 0.00 60.65 58.72 1w12 h LYS 92 Cb 1.21 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.85 1w12 h LYS 92 CO 0.83 0.94 0.00 -0.25 -2.27 0.00 0.00 179.45 178.69 1w12 n ASP 93 N -4.27 2.45 -4.77 4.20 8.00 -1.26 -4.92 116.55 115.98 1w12 n ASP 93 Ca 0.07 -2.27 -0.39 0.00 0.71 0.00 0.00 54.79 52.90 1w12 n ASP 93 Cb 0.20 -0.51 -0.02 0.00 -0.02 0.00 0.00 41.12 40.77 1w12 n ASP 93 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 1w12 s TYR 94 N -1.61 3.02 -0.09 1.24 5.04 -1.09 -4.67 117.35 119.19 1w12 s TYR 94 Ca 0.18 1.48 -0.30 0.00 -2.44 0.00 0.00 57.07 56.00 1w12 s TYR 94 Cb 0.13 -3.56 0.07 0.00 0.35 0.00 0.00 41.96 38.96 1w12 s TYR 94 CO 0.06 -1.66 0.68 -1.54 -1.34 0.00 0.00 175.55 171.75 1w12 s SER 95 N -0.80 -0.67 0.06 4.32 1.04 -1.15 -5.01 113.70 111.49 1w12 s SER 95 Ca 0.54 0.84 0.06 0.00 0.48 0.00 0.00 55.95 57.87 1w12 s SER 95 Cb -0.36 0.70 -0.03 0.00 0.10 0.00 0.00 66.02 66.44 1w12 s SER 95 CO 0.46 -0.54 -0.16 0.00 0.98 0.00 0.00 173.24 173.98 1w12 s ALA 96 N -0.91 1.36 0.00 5.32 0.00 -1.26 -0.78 121.76 125.49 1w12 s ALA 96 Ca -0.09 -0.98 0.00 0.00 0.00 0.00 0.00 51.96 50.89 1w12 s ALA 96 Cb -0.01 -0.19 0.00 0.00 0.00 0.00 0.00 23.12 22.92 1w12 s ALA 96 CO 0.08 0.25 0.00 -3.47 0.00 0.00 0.00 175.76 172.63 1w12 n ASP 97 N 1.59 1.97 -0.12 0.00 4.64 -0.11 -5.00 116.55 119.53 1w12 n ASP 97 Ca -0.19 -0.64 0.11 0.00 -1.38 0.00 0.00 54.79 52.69 1w12 n ASP 97 Cb 0.54 0.00 0.01 0.00 -1.04 0.00 0.00 41.12 40.63 1w12 n ASP 97 CO 0.00 0.00 0.00 1.07 -0.82 0.00 0.00 177.20 177.45 1w12 n THR 97 N 0.00 0.00 -0.10 5.18 5.66 -1.26 -4.26 114.28 119.50 1w12 n THR 97 Ca 0.00 -0.06 -0.12 0.00 -3.05 0.00 0.00 64.05 60.82 1w12 n THR 97 Cb 0.00 0.86 -0.12 0.00 -1.55 0.00 0.00 70.33 69.52 1w12 n THR 97 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 1w12 n LEU 97 N -1.15 1.46 -3.61 1.09 4.77 -1.26 -5.09 117.00 113.22 1w12 n LEU 97 Ca 0.06 -0.06 -0.06 0.00 -0.03 0.00 0.00 56.01 55.92 1w12 n LEU 97 Cb 0.36 -0.16 -0.02 0.00 -2.33 0.00 0.00 43.42 41.27 1w12 n LEU 97 CO 0.37 0.65 0.69 0.00 -1.33 0.00 0.00 177.39 177.77 1w12 s ALA 98 N -2.44 -1.74 0.02 -1.18 0.00 -1.26 -5.01 121.76 110.16 1w12 s ALA 98 Ca -0.19 0.59 -0.06 0.00 0.00 0.00 0.00 51.96 52.30 1w12 s ALA 98 Cb 0.06 0.54 -0.05 0.00 0.00 0.00 0.00 23.12 23.68 1w12 s ALA 98 CO 0.62 -0.85 0.27 -1.01 0.00 0.00 0.00 175.76 174.79 1w12 s HIS 99 N -3.23 3.57 -0.05 0.00 3.76 -1.26 -0.93 115.29 117.16 1w12 s HIS 99 Ca 0.08 0.57 0.04 0.00 -0.15 0.00 0.00 55.06 55.60 1w12 s HIS 99 Cb -0.01 -1.99 -0.00 0.00 1.11 0.00 0.00 32.58 31.69 1w12 s HIS 99 CO -0.04 0.60 -0.17 -1.01 -0.85 0.00 0.00 174.74 173.27 1w12 s HIS 100 N -1.32 1.71 -1.37 1.40 3.76 0.04 -4.70 115.29 114.81 1w12 s HIS 100 Ca 0.28 -0.52 -0.09 0.00 -0.15 0.00 0.00 55.06 54.59 1w12 s HIS 100 Cb -0.13 -1.16 0.02 0.00 1.11 0.00 0.00 32.58 32.42 1w12 s HIS 100 CO 0.17 -0.19 1.11 0.09 -0.85 0.00 0.00 174.74 175.06 1w12 n ASN 101 N 3.25 -5.35 -4.22 1.40 3.02 -1.26 -2.95 115.26 109.15 1w12 n ASN 101 Ca -0.19 -0.61 -0.40 0.00 -0.03 0.00 0.00 54.58 53.36 1w12 n ASN 101 Cb 0.53 -4.78 -0.02 0.00 -0.61 0.00 0.00 39.78 34.90 1w12 n ASN 101 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1w12 n ASP 102 N -3.00 3.93 -3.83 6.41 2.03 -1.26 -4.62 116.55 116.21 1w12 n ASP 102 Ca -0.03 -2.82 -0.12 0.00 0.52 0.00 0.00 54.79 52.34 1w12 n ASP 102 Cb 0.57 -1.63 -0.11 0.00 -0.72 0.00 0.00 41.12 39.23 1w12 n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1w12 s ILE 103 N 5.46 0.03 0.03 5.18 2.07 -1.26 -4.22 121.20 128.49 1w12 s ILE 103 Ca 0.56 -0.28 -0.12 0.00 -1.41 0.00 0.00 60.65 59.39 1w12 s ILE 103 Cb 0.07 -0.33 0.01 0.00 0.13 0.00 0.00 42.46 42.35 1w12 s ILE 103 CO 0.05 -0.15 0.26 0.00 -1.91 0.00 0.00 174.94 173.19 1w12 s ALA 104 N -0.51 -0.59 -0.03 1.50 0.00 0.26 -3.35 121.76 119.04 1w12 s ALA 104 Ca -0.06 -0.02 0.07 0.00 0.00 0.00 0.00 51.96 51.95 1w12 s ALA 104 Cb -0.04 0.25 -0.02 0.00 0.00 0.00 0.00 23.12 23.31 1w12 s ALA 104 CO 0.01 -0.35 -0.26 -0.51 0.00 0.00 0.00 175.76 174.65 1w12 s LEU 105 N -1.88 2.05 -0.10 0.00 1.43 -0.60 -0.26 118.68 119.33 1w12 s LEU 105 Ca -0.07 -0.48 0.01 0.00 -1.03 0.00 0.00 54.13 52.55 1w12 s LEU 105 Cb -0.02 -1.34 0.02 0.00 0.03 0.00 0.00 46.19 44.87 1w12 s LEU 105 CO -0.02 0.30 -0.10 -0.76 0.23 0.00 0.00 176.35 176.00 1w12 s LEU 106 N -0.48 1.41 -0.29 1.79 1.02 0.15 -0.75 118.68 121.53 1w12 s LEU 106 Ca 0.06 -0.32 -0.18 0.00 0.02 0.00 0.00 54.13 53.71 1w12 s LEU 106 Cb -0.11 -0.87 -0.02 0.00 0.02 0.00 0.00 46.19 45.20 1w12 s LEU 106 CO 0.00 -0.06 0.51 -0.75 0.02 0.00 0.00 176.35 176.08 1w12 s LYS 107 N 1.30 3.95 0.17 1.70 2.20 -0.23 -0.83 119.74 128.00 1w12 s LYS 107 Ca -0.02 0.18 0.04 0.00 -0.36 0.00 0.00 55.97 55.80 1w12 s LYS 107 Cb -0.14 -3.69 -0.03 0.00 -1.51 0.00 0.00 37.83 32.45 1w12 s LYS 107 CO -0.04 -0.43 0.27 0.96 -0.36 0.00 0.00 175.35 175.75 1w12 s ILE 108 N 2.33 5.13 -0.26 5.43 -4.36 -0.59 -0.58 121.20 128.30 1w12 s ILE 108 Ca 0.20 -0.84 -0.25 0.00 -0.26 0.00 0.00 60.65 59.50 1w12 s ILE 108 Cb -0.16 -3.67 0.08 0.00 1.25 0.00 0.00 42.46 39.96 1w12 s ILE 108 CO 0.10 -0.15 0.79 0.00 0.24 0.00 0.00 174.94 175.92 1w12 s ARG 109 N -3.38 0.77 0.00 0.37 1.70 -0.77 -4.72 118.95 112.93 1w12 s ARG 109 Ca 0.34 0.87 0.00 0.00 -0.47 0.00 0.00 55.73 56.47 1w12 s ARG 109 Cb -0.10 0.38 0.00 0.00 -0.57 0.00 0.00 34.95 34.65 1w12 s ARG 109 CO 0.28 -0.10 0.00 -1.13 -1.08 0.00 0.00 175.30 173.26 1w12 n SER 110 N 2.48 0.00 0.16 -2.89 3.41 0.02 -0.36 113.62 116.44 1w12 n SER 110 Ca -0.14 -0.42 0.01 0.00 -0.26 0.00 0.00 58.87 58.06 1w12 n SER 110 Cb 0.55 0.00 0.26 0.00 -0.26 0.00 0.00 64.21 64.77 1w12 n SER 110 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1w12 h LYS 110 N 0.00 0.00 -0.01 4.33 1.79 -1.89 -2.65 116.57 118.14 1w12 h LYS 110 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1w12 h LYS 110 Cb 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 1w12 h LYS 110 CO 0.00 0.50 -0.08 0.39 -1.08 0.00 0.00 179.45 179.18 1w12 n GLU 110 N -3.90 1.19 -0.95 3.15 4.71 -1.26 -4.91 120.64 118.67 1w12 n GLU 110 Ca -0.01 -0.58 0.00 0.00 -0.01 0.00 0.00 57.16 56.56 1w12 n GLU 110 Cb 0.52 -1.49 0.00 0.00 -1.01 0.00 0.00 31.44 29.46 1w12 n GLU 110 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1w12 n GLY 110 N 1.21 0.42 3.96 0.62 0.00 -1.00 -5.05 105.19 105.35 1w12 n GLY 110 Ca 0.17 -0.94 -0.22 0.00 0.00 0.00 0.00 46.02 45.03 1w12 n GLY 110 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1w12 s ARG 110 N -1.71 3.33 0.00 1.61 3.52 -1.26 -4.72 118.95 119.71 1w12 s ARG 110 Ca 0.00 -0.60 0.00 0.00 -0.13 0.00 0.00 55.73 55.00 1w12 s ARG 110 Cb 0.00 -2.73 0.00 0.00 -1.56 0.00 0.00 34.95 30.66 1w12 s ARG 110 CO 0.00 0.14 0.00 0.00 -0.81 0.00 0.00 175.30 174.63 1w12 s ALA 112 N -2.14 3.45 -0.39 0.00 0.00 -0.54 -4.88 121.76 117.26 1w12 s ALA 112 Ca 0.00 1.03 -0.06 0.00 0.00 0.00 0.00 51.96 52.93 1w12 s ALA 112 Cb 0.00 -3.40 0.08 0.00 0.00 0.00 0.00 23.12 19.80 1w12 s ALA 112 CO 0.00 -0.36 0.19 -0.65 0.00 0.00 0.00 175.76 174.94 1w12 s GLN 113 N -1.29 2.42 0.22 0.00 -1.52 -1.26 -4.84 119.66 113.39 1w12 s GLN 113 Ca 0.48 -1.49 -0.31 0.00 -1.95 0.00 0.00 55.36 52.08 1w12 s GLN 113 Cb -0.35 -3.60 -0.15 0.00 -0.22 0.00 0.00 33.01 28.70 1w12 s GLN 113 CO 0.44 -0.90 1.16 -2.30 -0.25 0.00 0.00 175.29 173.43 1w12 n PRO 114 N 4.77 1.35 -2.52 2.91 -0.02 -1.26 -4.84 135.00 135.40 1w12 n PRO 114 Ca -0.09 0.48 -0.06 0.00 -2.02 0.00 0.00 63.50 61.81 1w12 n PRO 114 Cb 0.43 -1.97 -0.01 0.00 -0.02 0.00 0.00 33.50 31.93 1w12 n PRO 114 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1w12 n SER 115 N 1.82 -0.54 0.09 2.55 3.41 0.30 -4.94 113.62 116.31 1w12 n SER 115 Ca 0.13 -1.75 0.10 0.00 -0.26 0.00 0.00 58.87 57.09 1w12 n SER 115 Cb 0.28 1.01 0.42 0.00 -0.26 0.00 0.00 64.21 65.66 1w12 n SER 115 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1w12 n ARG 116 N -0.23 0.12 0.00 4.33 0.63 -1.26 -2.45 116.66 117.80 1w12 n ARG 116 Ca 0.00 0.41 0.02 0.00 -0.92 0.00 0.00 57.85 57.36 1w12 n ARG 116 Cb 0.23 -1.76 0.01 0.00 0.45 0.00 0.00 32.46 31.39 1w12 n ARG 116 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 1w12 n THR 117 N -1.99 0.00 -3.68 5.15 -2.24 -1.26 -4.73 114.28 105.53 1w12 n THR 117 Ca 0.02 -0.48 -0.24 0.00 -2.27 0.00 0.00 64.05 61.07 1w12 n THR 117 Cb 0.17 1.06 -0.17 0.00 -2.10 0.00 0.00 70.33 69.29 1w12 n THR 117 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1w12 s ILE 118 N -0.53 0.10 -0.03 2.28 1.01 -1.03 -4.02 121.20 118.98 1w12 s ILE 118 Ca 0.04 -0.04 -0.18 0.00 0.00 0.00 0.00 60.65 60.47 1w12 s ILE 118 Cb 0.03 -0.55 0.03 0.00 0.01 0.00 0.00 42.46 41.98 1w12 s ILE 118 CO 0.07 -0.06 0.38 -1.10 0.00 0.00 0.00 174.94 174.23 1w12 s GLN 119 N 2.06 0.72 0.55 2.79 -0.21 -0.83 -0.54 119.66 124.21 1w12 s GLN 119 Ca 0.03 -0.04 -0.15 0.00 0.02 0.00 0.00 55.36 55.21 1w12 s GLN 119 Cb -0.15 0.33 -0.06 0.00 1.00 0.00 0.00 33.01 34.13 1w12 s GLN 119 CO -0.07 -0.20 1.01 0.95 -2.12 0.00 0.00 175.29 174.87 1w12 s THR 120 N -1.16 4.36 -0.02 -0.19 -4.23 -1.26 -2.73 115.64 110.41 1w12 s THR 120 Ca -0.12 1.07 0.01 0.00 -1.18 0.00 0.00 61.69 61.47 1w12 s THR 120 Cb -0.04 -3.64 -0.04 0.00 1.34 0.00 0.00 72.50 70.12 1w12 s THR 120 CO 0.05 -0.71 0.00 -0.51 -0.54 0.00 0.00 174.62 172.91 1w12 s ILE 121 N -2.67 4.20 0.39 2.99 1.10 -0.48 -4.89 121.20 121.84 1w12 s ILE 121 Ca 0.60 -0.52 -0.24 0.00 -0.51 0.00 0.00 60.65 59.98 1w12 s ILE 121 Cb -0.12 -2.85 -0.09 0.00 0.15 0.00 0.00 42.46 39.55 1w12 s ILE 121 CO 0.36 0.43 1.02 -0.44 -2.11 0.00 0.00 174.94 174.20 1w12 s SER 122 N -1.41 6.86 0.30 4.50 0.01 -1.26 -4.60 113.70 118.10 1w12 s SER 122 Ca 0.18 1.95 -0.07 0.00 1.31 0.00 0.00 55.95 59.32 1w12 s SER 122 Cb -0.11 -2.58 -0.06 0.00 0.21 0.00 0.00 66.02 63.48 1w12 s SER 122 CO 0.09 -0.42 0.59 -0.76 0.41 0.00 0.00 173.24 173.15 1w12 s LEU 123 N -2.65 4.04 1.01 2.44 1.43 -1.26 -0.67 118.68 123.02 1w12 s LEU 123 Ca 0.57 0.83 -0.12 0.00 -1.03 0.00 0.00 54.13 54.39 1w12 s LEU 123 Cb -0.19 -3.65 0.19 0.00 0.03 0.00 0.00 46.19 42.57 1w12 s LEU 123 CO 0.25 -0.21 1.09 -2.84 0.23 0.00 0.00 176.35 174.87 1w12 s PRO 124 N -3.45 0.35 0.28 1.29 0.02 -1.26 -4.85 135.00 127.38 1w12 s PRO 124 Ca 0.46 0.55 -0.15 0.00 0.02 0.00 0.00 61.00 61.88 1w12 s PRO 124 Cb -0.11 -1.73 -0.08 0.00 0.02 0.00 0.00 34.50 32.60 1w12 s PRO 124 CO 0.28 -2.79 0.70 0.45 -0.33 0.00 0.00 177.00 175.31 1w12 s SER 125 N -3.39 6.82 -0.41 2.53 0.15 -1.26 -4.93 113.70 113.20 1w12 s SER 125 Ca 0.65 1.25 -0.40 0.00 0.70 0.00 0.00 55.95 58.15 1w12 s SER 125 Cb -0.19 -2.36 -0.15 0.00 -1.71 0.00 0.00 66.02 61.61 1w12 s SER 125 CO 0.58 -0.12 2.08 0.23 1.20 0.00 0.00 173.24 177.21 1w12 n MET 126 N -0.03 0.60 -3.45 5.44 2.81 -1.26 -1.93 117.12 119.29 1w12 n MET 126 Ca 0.01 0.18 -0.16 0.00 -1.81 0.00 0.00 57.70 55.92 1w12 n MET 126 Cb 0.52 -1.98 0.01 0.00 -0.71 0.00 0.00 33.22 31.07 1w12 n MET 126 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 1w12 n TYR 127 N 7.98 -2.41 -3.10 2.03 0.53 -1.26 -5.00 117.16 115.93 1w12 n TYR 127 Ca 0.44 0.87 -0.05 0.00 -1.02 0.00 0.00 57.90 58.15 1w12 n TYR 127 Cb 0.09 -3.52 -0.02 0.00 -1.03 0.00 0.00 39.34 34.87 1w12 n TYR 127 CO 0.00 0.00 0.00 1.21 -1.02 0.00 0.00 176.86 177.05 1w12 s ASN 128 N -3.11 -0.96 0.30 7.72 2.47 -0.81 -5.16 114.94 115.38 1w12 s ASN 128 Ca 0.12 -1.32 0.02 0.00 0.42 0.00 0.00 52.86 52.11 1w12 s ASN 128 Cb -0.04 1.62 -0.03 0.00 -1.45 0.00 0.00 41.25 41.34 1w12 s ASN 128 CO 0.82 -0.15 0.47 -1.81 -3.72 0.00 0.00 177.10 172.72 1w12 s ASP 129 N 1.39 6.30 0.75 -4.21 1.01 -1.26 -4.22 116.67 116.42 1w12 s ASP 129 Ca 0.21 0.29 -0.14 0.00 0.71 0.00 0.00 52.55 53.63 1w12 s ASP 129 Cb -0.04 -1.96 0.05 0.00 1.01 0.00 0.00 42.92 41.98 1w12 s ASP 129 CO -0.06 -0.21 1.16 -2.84 0.21 0.00 0.00 175.17 173.43 1w12 s PRO 130 N -4.18 2.14 0.36 8.23 0.02 -1.26 -4.94 135.00 135.37 1w12 s PRO 130 Ca 0.38 1.57 -0.28 0.00 0.02 0.00 0.00 61.00 62.69 1w12 s PRO 130 Cb -0.09 -1.85 -0.10 0.00 0.02 0.00 0.00 34.50 32.48 1w12 s PRO 130 CO 0.33 -1.79 1.31 -0.65 -0.33 0.00 0.00 177.00 175.87 1w12 s GLN 131 N -4.18 4.20 0.57 5.54 -1.52 -1.26 -4.95 119.66 118.05 1w12 s GLN 131 Ca 0.70 2.20 -0.21 0.00 -1.95 0.00 0.00 55.36 56.10 1w12 s GLN 131 Cb -0.25 -2.94 -0.04 0.00 -0.22 0.00 0.00 33.01 29.56 1w12 s GLN 131 CO 0.47 -0.31 1.35 -0.06 -0.25 0.00 0.00 175.29 176.49 1w12 s PHE 132 N -1.19 2.22 0.00 0.91 0.40 -1.26 -2.42 117.98 116.64 1w12 s PHE 132 Ca 0.52 1.39 0.00 0.00 -0.60 0.00 0.00 56.93 58.24 1w12 s PHE 132 Cb -0.39 -3.79 0.00 0.00 0.51 0.00 0.00 43.02 39.35 1w12 s PHE 132 CO 0.51 -2.95 0.00 0.41 0.70 0.00 0.00 175.22 173.89 1w12 n GLY 133 N 0.77 0.94 3.76 4.36 0.00 0.21 -4.99 105.19 110.23 1w12 n GLY 133 Ca 0.12 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.78 1w12 n GLY 133 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1w12 s THR 134 N -2.24 2.72 -0.15 2.61 2.01 -1.01 -4.59 115.64 114.99 1w12 s THR 134 Ca 0.00 0.47 -0.23 0.00 0.31 0.00 0.00 61.69 62.24 1w12 s THR 134 Cb 0.00 -3.20 -0.03 0.00 0.01 0.00 0.00 72.50 69.29 1w12 s THR 134 CO 0.00 -0.08 0.71 -0.44 -0.69 0.00 0.00 174.62 174.12 1w12 s SER 135 N -1.54 6.85 0.15 3.53 0.01 -1.26 -1.36 113.70 120.07 1w12 s SER 135 Ca 0.75 1.03 0.09 0.00 1.31 0.00 0.00 55.95 59.13 1w12 s SER 135 Cb -0.30 -2.40 -0.04 0.00 0.21 0.00 0.00 66.02 63.49 1w12 s SER 135 CO 0.33 -0.26 -0.21 0.00 0.41 0.00 0.00 173.24 173.51 1w12 s GLU 137 N -2.45 3.06 0.02 0.00 2.02 0.97 -0.83 118.70 121.49 1w12 s GLU 137 Ca 0.14 -0.56 0.01 0.00 0.02 0.00 0.00 54.97 54.58 1w12 s GLU 137 Cb -0.08 -2.84 -0.01 0.00 0.10 0.00 0.00 34.13 31.30 1w12 s GLU 137 CO 0.07 0.61 -0.05 0.96 0.02 0.00 0.00 175.26 176.86 1w12 s ILE 138 N -1.34 0.38 0.14 -1.63 -4.36 -0.89 0.26 121.20 113.76 1w12 s ILE 138 Ca 0.28 -0.65 -0.01 0.00 -0.26 0.00 0.00 60.65 60.01 1w12 s ILE 138 Cb -0.12 -0.41 -0.04 0.00 1.25 0.00 0.00 42.46 43.14 1w12 s ILE 138 CO 0.20 -0.19 0.06 0.42 0.24 0.00 0.00 174.94 175.67 1w12 s THR 139 N -0.82 0.12 0.00 8.37 -4.23 -1.25 -1.93 115.64 115.90 1w12 s THR 139 Ca -0.06 -1.93 0.00 0.00 -1.18 0.00 0.00 61.69 58.52 1w12 s THR 139 Cb -0.06 -2.13 0.00 0.00 1.34 0.00 0.00 72.50 71.65 1w12 s THR 139 CO -0.00 -0.39 0.00 0.61 -0.54 0.00 0.00 174.62 174.30 1w12 n GLY 140 N -0.13 2.48 1.93 3.99 0.00 -1.06 -4.52 105.19 107.88 1w12 n GLY 140 Ca -0.04 -1.11 0.02 0.00 0.00 0.00 0.00 46.02 44.89 1w12 n GLY 140 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1w12 n PHE 141 N -1.10 2.23 -0.88 1.61 3.72 -1.26 -2.96 117.46 118.82 1w12 n PHE 141 Ca 0.00 -0.90 -0.30 0.00 -0.05 0.00 0.00 57.45 56.20 1w12 n PHE 141 Cb 0.00 -0.58 0.25 0.00 -0.94 0.00 0.00 39.48 38.21 1w12 n PHE 141 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1w12 s GLY 142 N -0.89 1.54 0.54 1.37 0.00 -1.24 -3.95 107.32 104.69 1w12 s GLY 142 Ca 0.55 -0.86 -0.22 0.00 0.00 0.00 0.00 44.72 44.20 1w12 s GLY 142 CO 0.15 0.04 1.27 0.28 0.00 0.00 0.00 173.10 174.84 1w12 n LYS 143 N -4.98 1.56 0.02 2.90 5.02 -0.49 -2.58 118.16 119.61 1w12 n LYS 143 Ca 0.12 0.57 0.11 0.00 -2.02 0.00 0.00 58.31 57.10 1w12 n LYS 143 Cb 0.59 -2.47 0.00 0.00 -0.02 0.00 0.00 35.03 33.14 1w12 n LYS 143 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1w12 n GLU 144 N -0.89 0.28 -3.72 1.97 1.02 -1.26 -1.15 120.64 116.89 1w12 n GLU 144 Ca 0.11 -0.01 -0.12 0.00 -0.02 0.00 0.00 57.16 57.11 1w12 n GLU 144 Cb 0.44 -1.58 -0.10 0.00 -0.02 0.00 0.00 31.44 30.18 1w12 n GLU 144 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 1w12 s ASN 145 N -3.88 -0.45 0.37 1.62 -0.87 -1.26 -4.45 114.94 106.03 1w12 s ASN 145 Ca 0.03 0.84 0.12 0.00 -1.57 0.00 0.00 52.86 52.28 1w12 s ASN 145 Cb 0.14 0.82 0.91 0.00 -0.02 0.00 0.00 41.25 43.11 1w12 s ASN 145 CO 0.81 -0.15 1.85 0.28 -2.57 0.00 0.00 177.10 177.31 1w12 h SER 146 N 5.90 0.58 1.13 -1.22 0.02 -1.89 -1.51 113.55 116.55 1w12 h SER 146 Ca -0.29 0.05 -0.05 0.00 -0.84 0.00 0.00 61.79 60.66 1w12 h SER 146 Cb 1.18 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 63.66 1w12 h SER 146 CO 0.26 0.25 -0.25 0.71 -1.14 0.00 0.00 176.83 176.67 1w12 h THR 147 N 0.59 0.53 -4.02 -2.27 1.35 -2.00 -3.46 112.91 103.63 1w12 h THR 147 Ca 0.48 -1.29 -0.56 0.00 -0.55 0.00 0.00 66.41 64.49 1w12 h THR 147 Cb 0.93 1.90 0.17 0.00 -1.73 0.00 0.00 68.15 69.41 1w12 h THR 147 CO -0.22 0.24 0.39 0.47 -0.25 0.00 0.00 175.52 176.15 1w12 n ASP 148 N -3.32 1.57 -0.01 5.36 9.92 -0.57 -4.94 116.55 124.56 1w12 n ASP 148 Ca 0.01 0.77 0.06 0.00 -0.53 0.00 0.00 54.79 55.10 1w12 n ASP 148 Cb 0.49 -1.51 -0.10 0.00 -0.64 0.00 0.00 41.12 39.36 1w12 n ASP 148 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1w12 n TYR 149 N -2.20 0.00 -4.15 1.24 4.11 -1.26 -4.99 117.16 109.91 1w12 n TYR 149 Ca 0.15 0.00 -0.31 0.00 -0.00 0.00 0.00 57.90 57.74 1w12 n TYR 149 Cb 0.49 -0.29 -0.08 0.00 -0.00 0.00 0.00 39.34 39.46 1w12 n TYR 149 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.86 176.35 1w12 s LEU 150 N -3.89 3.59 0.20 -3.48 1.43 -1.26 -5.12 118.68 110.15 1w12 s LEU 150 Ca -0.05 -0.07 -0.07 0.00 -1.03 0.00 0.00 54.13 52.91 1w12 s LEU 150 Cb 0.08 -2.23 -0.06 0.00 0.03 0.00 0.00 46.19 44.01 1w12 s LEU 150 CO 0.53 0.21 0.48 -0.31 0.23 0.00 0.00 176.35 177.49 1w12 s TYR 151 N -1.27 3.45 0.79 0.29 2.02 -1.26 -4.72 117.35 116.65 1w12 s TYR 151 Ca 0.25 0.74 -0.11 0.00 -0.37 0.00 0.00 57.07 57.57 1w12 s TYR 151 Cb -0.12 -2.15 0.07 0.00 -0.40 0.00 0.00 41.96 39.36 1w12 s TYR 151 CO 0.17 0.33 1.12 -1.25 -1.57 0.00 0.00 175.55 174.35 1w12 s PRO 152 N -2.78 2.02 0.03 -1.71 0.04 -1.25 -4.97 135.00 126.38 1w12 s PRO 152 Ca 0.45 1.33 0.07 0.00 0.04 0.00 0.00 61.00 62.89 1w12 s PRO 152 Cb -0.12 -1.86 -0.23 0.00 0.04 0.00 0.00 34.50 32.34 1w12 s PRO 152 CO 0.23 -1.85 0.96 0.93 0.04 0.00 0.00 177.00 177.31 1w12 h GLU 153 N -1.10 0.05 -5.81 4.56 4.39 -1.97 -3.44 114.58 111.26 1w12 h GLU 153 Ca -0.44 -0.09 -0.64 0.00 0.34 0.00 0.00 59.36 58.53 1w12 h GLU 153 Cb 1.25 0.03 -0.06 0.00 -0.10 0.00 0.00 28.75 29.87 1w12 h GLU 153 CO 0.49 0.83 -0.44 -1.14 -1.16 0.00 0.00 179.01 177.59 1w12 s GLN 154 N -2.65 3.50 0.37 2.33 2.00 -1.26 -1.76 119.66 122.19 1w12 s GLN 154 Ca -0.03 -0.17 -0.27 0.00 -2.00 0.00 0.00 55.36 52.89 1w12 s GLN 154 Cb 0.09 -3.12 -0.10 0.00 0.80 0.00 0.00 33.01 30.68 1w12 s GLN 154 CO 0.83 0.69 1.35 -1.17 -0.50 0.00 0.00 175.29 176.48 1w12 s LEU 155 N -1.63 4.31 0.24 3.68 2.96 -0.88 -4.89 118.68 122.47 1w12 s LEU 155 Ca 0.24 2.76 0.10 0.00 -0.22 0.00 0.00 54.13 57.01 1w12 s LEU 155 Cb -0.13 -3.76 -0.05 0.00 0.50 0.00 0.00 46.19 42.75 1w12 s LEU 155 CO 0.14 -0.75 -0.17 -0.54 -1.32 0.00 0.00 176.35 173.71 1w12 s LYS 156 N -2.05 1.49 0.10 1.98 1.02 -1.15 -1.10 119.74 120.03 1w12 s LYS 156 Ca 0.53 -1.67 -0.12 0.00 0.02 0.00 0.00 55.97 54.74 1w12 s LYS 156 Cb -0.41 -1.43 0.01 0.00 -0.52 0.00 0.00 37.83 35.49 1w12 s LYS 156 CO 0.54 0.26 0.27 0.00 -0.92 0.00 0.00 175.35 175.50 1w12 s MET 157 N -3.56 0.94 0.34 1.68 0.23 -0.60 -2.57 119.30 115.76 1w12 s MET 157 Ca 0.26 -0.87 -0.17 0.00 -1.03 0.00 0.00 55.69 53.88 1w12 s MET 157 Cb -0.03 0.39 0.04 0.00 -1.53 0.00 0.00 34.83 33.70 1w12 s MET 157 CO 0.11 -0.33 0.74 -0.08 -2.03 0.00 0.00 175.02 173.42 1w12 s THR 158 N -3.84 0.00 -0.05 3.16 -1.32 -0.81 -1.54 115.64 111.24 1w12 s THR 158 Ca 0.04 -1.05 0.07 0.00 -1.21 0.00 0.00 61.69 59.54 1w12 s THR 158 Cb 0.04 -2.53 -0.01 0.00 -1.51 0.00 0.00 72.50 68.48 1w12 s THR 158 CO -0.11 0.00 -0.25 -0.69 -2.21 0.00 0.00 174.62 171.36 1w12 s VAL 159 N -2.99 2.03 0.12 5.08 1.01 -1.26 -2.10 120.40 122.28 1w12 s VAL 159 Ca 0.15 -1.07 0.03 0.00 0.00 0.00 0.00 61.98 61.09 1w12 s VAL 159 Cb -0.05 -1.71 -0.04 0.00 0.00 0.00 0.00 36.38 34.58 1w12 s VAL 159 CO 0.10 0.57 -0.08 0.68 0.00 0.00 0.00 175.10 176.37 1w12 s VAL 160 N -0.29 0.85 -0.09 2.92 -7.23 -0.01 -4.84 120.40 111.71 1w12 s VAL 160 Ca 0.01 -1.98 -0.14 0.00 -1.81 0.00 0.00 61.98 58.06 1w12 s VAL 160 Cb -0.13 -1.75 -0.05 0.00 0.56 0.00 0.00 36.38 35.02 1w12 s VAL 160 CO 0.02 -0.82 0.34 -0.54 -0.31 0.00 0.00 175.10 173.79 1w12 s LYS 161 N -3.81 4.01 -0.03 4.82 1.02 -0.12 -0.63 119.74 125.01 1w12 s LYS 161 Ca 0.14 0.23 -0.30 0.00 0.02 0.00 0.00 55.97 56.06 1w12 s LYS 161 Cb 0.04 -3.31 -0.04 0.00 -0.52 0.00 0.00 37.83 34.00 1w12 s LYS 161 CO -0.03 0.49 1.31 -1.17 -0.92 0.00 0.00 175.35 175.03 1w12 s LEU 162 N -0.35 4.30 -0.03 3.17 2.96 -0.47 -1.66 118.68 126.60 1w12 s LEU 162 Ca 0.20 1.97 -0.02 0.00 -0.22 0.00 0.00 54.13 56.06 1w12 s LEU 162 Cb -0.15 -3.56 -0.04 0.00 0.50 0.00 0.00 46.19 42.95 1w12 s LEU 162 CO 0.08 -0.66 0.11 -0.63 -1.32 0.00 0.00 176.35 173.93 1w12 s ILE 163 N 2.31 4.97 0.59 6.68 1.01 0.78 -0.62 121.20 136.92 1w12 s ILE 163 Ca 0.60 -0.24 -0.16 0.00 0.00 0.00 0.00 60.65 60.85 1w12 s ILE 163 Cb -0.28 -3.25 -0.04 0.00 0.01 0.00 0.00 42.46 38.90 1w12 s ILE 163 CO 0.24 0.41 1.06 -0.94 0.00 0.00 0.00 174.94 175.71 1w12 s SER 164 N -1.60 5.78 0.30 3.58 1.04 -1.26 -4.17 113.70 117.37 1w12 s SER 164 Ca 0.22 1.82 0.00 0.00 0.48 0.00 0.00 55.95 58.47 1w12 s SER 164 Cb -0.12 -2.53 0.47 0.00 0.10 0.00 0.00 66.02 63.93 1w12 s SER 164 CO 0.12 -1.17 1.86 0.45 0.98 0.00 0.00 173.24 175.49 1w12 h HIS 165 N 0.45 0.79 -0.27 5.02 3.86 -1.95 -1.56 115.15 121.50 1w12 h HIS 165 Ca -0.47 -0.06 0.06 0.00 -1.16 0.00 0.00 60.37 58.74 1w12 h HIS 165 Cb 1.22 -0.24 -0.08 0.00 1.06 0.00 0.00 27.41 29.38 1w12 h HIS 165 CO 0.58 0.66 -0.33 -0.09 0.86 0.00 0.00 177.93 179.61 1w12 h ARG 166 N 0.76 -0.31 0.55 2.45 2.43 -1.98 0.37 114.38 118.65 1w12 h ARG 166 Ca 0.17 0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.34 1w12 h ARG 166 Cb 0.24 0.07 0.01 0.00 -0.42 0.00 0.00 29.97 29.87 1w12 h ARG 166 CO -0.01 -0.21 -0.26 0.93 -1.51 0.00 0.00 179.97 178.91 1w12 h GLU 167 N -0.32 -0.71 -0.76 0.20 5.08 -1.86 -2.97 114.58 113.23 1w12 h GLU 167 Ca 0.13 0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.54 1w12 h GLU 167 Cb 0.54 0.16 -0.04 0.00 0.50 0.00 0.00 28.75 29.92 1w12 h GLU 167 CO -0.45 -0.44 0.46 0.00 -1.00 0.00 0.00 179.01 177.59 1w12 h GLN 169 N 1.05 0.00 -6.97 0.00 4.15 -0.30 -2.80 115.11 110.23 1w12 h GLN 169 Ca 0.28 0.00 -0.50 0.00 0.77 0.00 0.00 58.65 59.20 1w12 h GLN 169 Cb -0.05 0.00 0.04 0.00 0.21 0.00 0.00 27.48 27.68 1w12 h GLN 169 CO -0.05 0.00 0.45 -0.65 -1.93 0.00 0.00 178.83 176.65 1w12 s GLN 170 N -3.46 3.99 0.63 1.69 -1.52 -0.93 -3.36 119.66 116.71 1w12 s GLN 170 Ca 0.04 1.66 0.32 0.00 -1.95 0.00 0.00 55.36 55.43 1w12 s GLN 170 Cb 0.09 -2.51 1.75 0.00 -0.22 0.00 0.00 33.01 32.12 1w12 s GLN 170 CO 0.54 -0.33 2.04 -1.35 -0.25 0.00 0.00 175.29 175.95 1w12 h PRO 170 N 2.34 0.00 0.00 2.91 0.11 -1.87 -0.14 132.00 135.35 1w12 h PRO 170 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1w12 h PRO 170 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1w12 h PRO 170 CO 0.61 0.00 0.00 -2.39 -0.21 0.00 0.00 178.00 176.01 1w12 n HIS 170 N -3.29 0.20 0.00 0.65 1.44 -1.26 -4.46 115.22 108.51 1w12 n HIS 170 Ca 0.00 0.07 0.00 0.00 -2.01 0.00 0.00 57.72 55.79 1w12 n HIS 170 Cb 0.36 -0.62 0.00 0.00 0.12 0.00 0.00 29.99 29.85 1w12 n HIS 170 CO 0.00 0.00 0.00 0.66 -2.81 0.00 0.00 176.34 174.19 1w12 n TYR 171 N -1.68 0.00 0.00 -1.40 0.53 -0.12 -4.87 117.16 109.61 1w12 n TYR 171 Ca 0.04 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.92 1w12 n TYR 171 Cb 0.24 0.00 0.00 0.00 -1.03 0.00 0.00 39.34 38.55 1w12 n TYR 171 CO 0.00 0.00 0.00 0.66 -1.02 0.00 0.00 176.86 176.50 1w12 n TYR 172 N 0.00 0.00 0.00 -0.72 4.01 -0.83 -4.86 117.16 114.76 1w12 n TYR 172 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1w12 n TYR 172 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 1w12 n TYR 172 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1w12 n GLY 173 N 4.58 -0.49 0.36 2.72 0.00 -1.21 -4.29 105.19 106.86 1w12 n GLY 173 Ca 0.00 -0.66 0.09 0.00 0.00 0.00 0.00 46.02 45.44 1w12 n GLY 173 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1w12 h SER 174 N 0.00 0.59 -0.32 1.61 0.02 -1.95 -2.63 113.55 110.87 1w12 h SER 174 Ca 0.00 0.01 0.09 0.00 -0.84 0.00 0.00 61.79 61.05 1w12 h SER 174 Cb 0.00 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.41 1w12 h SER 174 CO 0.00 0.36 0.27 1.05 -1.14 0.00 0.00 176.83 177.38 1w12 h GLU 175 N 0.66 0.00 -5.92 3.45 9.09 -1.94 -3.40 114.58 116.53 1w12 h GLU 175 Ca 0.33 0.00 -0.58 0.00 0.05 0.00 0.00 59.36 59.16 1w12 h GLU 175 Cb 0.41 0.00 -0.07 0.00 -1.65 0.00 0.00 28.75 27.44 1w12 h GLU 175 CO -0.11 0.00 0.44 0.14 0.05 0.00 0.00 179.01 179.53 1w12 s VAL 176 N -4.82 4.85 0.53 -1.06 -7.23 -0.99 -4.91 120.40 106.76 1w12 s VAL 176 Ca -0.05 1.65 0.06 0.00 -1.81 0.00 0.00 61.98 61.83 1w12 s VAL 176 Cb 0.17 -4.15 0.03 0.00 0.56 0.00 0.00 36.38 32.99 1w12 s VAL 176 CO 0.63 -0.02 0.40 0.42 -0.31 0.00 0.00 175.10 176.23 1w12 s THR 177 N 2.41 1.80 -1.45 5.32 -4.23 -1.26 -4.90 115.64 113.32 1w12 s THR 177 Ca 0.38 -1.47 0.20 0.00 -1.18 0.00 0.00 61.69 59.62 1w12 s THR 177 Cb -0.16 -2.27 0.36 0.00 1.34 0.00 0.00 72.50 71.77 1w12 s THR 177 CO 0.11 0.00 1.63 0.35 -0.54 0.00 0.00 174.62 176.16 1w12 n THR 178 N -1.73 0.37 0.87 3.99 -2.24 -1.26 -1.74 114.28 112.54 1w12 n THR 178 Ca -0.01 0.09 0.10 0.00 -2.27 0.00 0.00 64.05 61.97 1w12 n THR 178 Cb 0.64 -0.76 0.30 0.00 -2.10 0.00 0.00 70.33 68.40 1w12 n THR 178 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1w12 n LYS 179 N -1.27 1.98 -4.46 -0.78 5.02 -1.26 -4.89 118.16 112.50 1w12 n LYS 179 Ca 0.10 -1.49 -0.23 0.00 -2.02 0.00 0.00 58.31 54.67 1w12 n LYS 179 Cb 0.16 -1.41 -0.10 0.00 -0.02 0.00 0.00 35.03 33.65 1w12 n LYS 179 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 1w12 s MET 180 N -1.64 1.62 0.01 1.97 -1.94 -0.71 -1.04 119.30 117.58 1w12 s MET 180 Ca 0.33 -1.78 0.02 0.00 -1.71 0.00 0.00 55.69 52.55 1w12 s MET 180 Cb 0.18 -1.52 -0.01 0.00 2.01 0.00 0.00 34.83 35.49 1w12 s MET 180 CO 0.26 0.21 -0.05 -0.51 -0.01 0.00 0.00 175.02 174.91 1w12 s LEU 181 N -3.49 2.08 0.04 -0.03 1.43 0.53 -4.69 118.68 114.56 1w12 s LEU 181 Ca 0.29 -0.23 0.06 0.00 -1.03 0.00 0.00 54.13 53.23 1w12 s LEU 181 Cb -0.01 -0.20 -0.03 0.00 0.03 0.00 0.00 46.19 45.98 1w12 s LEU 181 CO 0.13 -0.03 -0.14 0.00 0.23 0.00 0.00 176.35 176.54 1w12 s ALA 183 N -0.97 -0.99 0.30 0.00 0.00 -0.77 -0.16 121.76 119.18 1w12 s ALA 183 Ca 0.16 0.95 -0.19 0.00 0.00 0.00 0.00 51.96 52.87 1w12 s ALA 183 Cb -0.11 -0.44 0.05 0.00 0.00 0.00 0.00 23.12 22.62 1w12 s ALA 183 CO 0.07 -0.22 0.81 0.00 0.00 0.00 0.00 175.76 176.42 1w12 s ALA 184 N -0.26 -1.10 -0.22 0.00 0.00 -0.66 -1.64 121.76 117.88 1w12 s ALA 184 Ca -0.04 -0.46 -0.16 0.00 0.00 0.00 0.00 51.96 51.30 1w12 s ALA 184 Cb -0.03 0.74 -0.04 0.00 0.00 0.00 0.00 23.12 23.79 1w12 s ALA 184 CO 0.02 -1.02 0.42 0.34 0.00 0.00 0.00 175.76 175.52 1w12 s ASP 185 N -3.04 6.41 0.40 0.00 2.15 -1.26 -0.94 116.67 120.40 1w12 s ASP 185 Ca 0.14 0.48 0.23 0.00 0.43 0.00 0.00 52.55 53.83 1w12 s ASP 185 Cb -0.05 -2.24 1.24 0.00 -0.30 0.00 0.00 42.92 41.58 1w12 s ASP 185 CO 0.08 -0.13 1.67 1.55 -0.17 0.00 0.00 175.17 178.17 1w12 h PRO 185 N 7.62 0.00 -0.02 4.34 0.13 -1.95 0.42 132.00 142.54 1w12 h PRO 185 Ca -0.34 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 1w12 h PRO 185 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1w12 h PRO 185 CO 0.70 0.00 -0.16 1.04 -0.23 0.00 0.00 178.00 179.35 1w12 n GLN 185 N -2.37 1.56 -3.83 0.86 6.02 -1.26 -5.01 117.38 113.36 1w12 n GLN 185 Ca -0.02 -1.25 -0.26 0.00 -0.01 0.00 0.00 57.00 55.46 1w12 n GLN 185 Cb 0.17 -1.33 0.03 0.00 1.02 0.00 0.00 30.24 30.12 1w12 n GLN 185 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 177.06 176.96 1w12 n TRP 186 N 0.52 -2.11 -0.00 1.08 7.02 0.15 -4.90 117.44 119.18 1w12 n TRP 186 Ca 0.09 0.87 0.03 0.00 -1.02 0.00 0.00 57.50 57.47 1w12 n TRP 186 Cb 0.41 -4.15 -0.05 0.00 -2.42 0.00 0.00 31.31 25.10 1w12 n TRP 186 CO 0.00 0.00 0.00 1.63 -2.02 0.00 0.00 177.69 177.30 1w12 n LYS 187 N -4.50 0.41 -4.44 -0.99 4.76 -1.26 -4.68 118.16 107.45 1w12 n LYS 187 Ca -0.12 -0.05 -0.24 0.00 -2.87 0.00 0.00 58.31 55.03 1w12 n LYS 187 Cb 0.60 -1.15 -0.13 0.00 -1.84 0.00 0.00 35.03 32.50 1w12 n LYS 187 CO 0.00 0.00 0.00 -0.08 -1.37 0.00 0.00 177.40 175.95 1w12 s THR 188 N -2.42 1.56 -0.02 -0.18 -1.32 -1.26 -4.16 115.64 107.84 1w12 s THR 188 Ca -0.02 -1.30 -0.30 0.00 -1.21 0.00 0.00 61.69 58.86 1w12 s THR 188 Cb 0.04 -1.40 0.12 0.00 -1.51 0.00 0.00 72.50 69.75 1w12 s THR 188 CO 0.27 0.06 1.30 -0.62 -2.21 0.00 0.00 174.62 173.41 1w12 s ASP 189 N -1.46 -0.04 0.57 8.08 2.15 -1.07 -4.08 116.67 120.83 1w12 s ASP 189 Ca 0.06 -0.14 -0.03 0.00 0.43 0.00 0.00 52.55 52.86 1w12 s ASP 189 Cb -0.09 0.15 0.02 0.00 -0.30 0.00 0.00 42.92 42.70 1w12 s ASP 189 CO 0.03 -0.28 0.85 -0.94 -0.17 0.00 0.00 175.17 174.65 1w12 s SER 190 N -3.17 5.43 0.00 -0.34 1.04 -1.26 -1.04 113.70 114.35 1w12 s SER 190 Ca 0.18 0.42 0.00 0.00 0.48 0.00 0.00 55.95 57.03 1w12 s SER 190 Cb 0.04 -1.38 0.00 0.00 0.10 0.00 0.00 66.02 64.78 1w12 s SER 190 CO -0.03 -1.10 0.00 0.00 0.98 0.00 0.00 173.24 173.08 1w12 n GLN 192 N 0.00 2.73 0.00 0.00 3.00 -1.26 -1.49 117.38 120.36 1w12 n GLN 192 Ca 0.00 0.97 0.00 0.00 -0.01 0.00 0.00 57.00 57.96 1w12 n GLN 192 Cb 0.00 -2.74 0.00 0.00 0.00 0.00 0.00 30.24 27.50 1w12 n GLN 192 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1w12 n GLY 193 N 1.44 2.33 0.51 1.08 0.00 -1.26 -1.39 105.19 107.89 1w12 n GLY 193 Ca 0.05 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.18 1w12 n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1w12 n ASP 194 N 0.00 2.05 -4.69 1.61 8.00 -0.55 -3.62 116.55 119.35 1w12 n ASP 194 Ca 0.00 -1.53 -0.40 0.00 0.71 0.00 0.00 54.79 53.57 1w12 n ASP 194 Cb 0.00 0.47 0.02 0.00 -0.02 0.00 0.00 41.12 41.59 1w12 n ASP 194 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1w12 n SER 195 N 0.01 2.26 0.00 -2.24 7.64 -1.26 -1.89 113.62 118.14 1w12 n SER 195 Ca 0.09 1.04 0.00 0.00 1.01 0.00 0.00 58.87 61.01 1w12 n SER 195 Cb 0.47 -1.49 0.00 0.00 -1.01 0.00 0.00 64.21 62.18 1w12 n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1w12 n GLY 196 N 0.89 2.83 3.65 0.23 0.00 -0.38 -0.39 105.19 112.02 1w12 n GLY 196 Ca 0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 1w12 n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1w12 s GLY 197 N -1.82 1.60 0.23 -0.02 0.00 -0.79 -3.46 107.32 103.05 1w12 s GLY 197 Ca 0.00 -0.07 -0.15 0.00 0.00 0.00 0.00 44.72 44.50 1w12 s GLY 197 CO 0.00 0.49 0.65 2.56 0.00 0.00 0.00 173.10 176.80 1w12 s PRO 198 N -4.80 4.02 -0.32 2.90 0.04 -1.26 -0.72 135.00 134.86 1w12 s PRO 198 Ca 0.65 0.60 0.01 0.00 0.04 0.00 0.00 61.00 62.30 1w12 s PRO 198 Cb -0.20 -2.72 0.08 0.00 0.04 0.00 0.00 34.50 31.70 1w12 s PRO 198 CO 0.59 0.33 0.02 -1.17 0.04 0.00 0.00 177.00 176.81 1w12 s LEU 199 N -2.42 4.24 -0.20 -3.56 2.96 0.15 -3.81 118.68 116.03 1w12 s LEU 199 Ca 0.46 -1.67 -0.10 0.00 -0.22 0.00 0.00 54.13 52.60 1w12 s LEU 199 Cb -0.13 -1.67 -0.05 0.00 0.50 0.00 0.00 46.19 44.84 1w12 s LEU 199 CO 0.19 -0.32 0.12 -0.69 -1.32 0.00 0.00 176.35 174.34 1w12 s VAL 200 N 1.10 5.29 0.22 1.68 1.01 0.14 -0.82 120.40 129.02 1w12 s VAL 200 Ca 0.00 0.15 0.03 0.00 0.00 0.00 0.00 61.98 62.16 1w12 s VAL 200 Cb -0.20 -3.42 -0.05 0.00 0.00 0.00 0.00 36.38 32.71 1w12 s VAL 200 CO -0.04 0.43 0.00 0.00 0.00 0.00 0.00 175.10 175.49 1w12 s SER 202 N -3.27 6.78 -0.09 0.00 0.15 -1.26 0.14 113.70 116.16 1w12 s SER 202 Ca 0.28 0.86 -0.00 0.00 0.70 0.00 0.00 55.95 57.79 1w12 s SER 202 Cb 0.06 -2.45 0.02 0.00 -1.71 0.00 0.00 66.02 61.94 1w12 s SER 202 CO 0.08 -0.66 -0.06 -0.22 1.20 0.00 0.00 173.24 173.57 1w12 s LEU 203 N 3.11 1.15 -1.46 3.45 0.20 0.12 -4.74 118.68 120.51 1w12 s LEU 203 Ca 0.36 -0.24 -0.09 0.00 0.69 0.00 0.00 54.13 54.86 1w12 s LEU 203 Cb -0.14 -0.71 0.04 0.00 -0.43 0.00 0.00 46.19 44.94 1w12 s LEU 203 CO 0.12 -0.10 0.87 0.00 -0.29 0.00 0.00 176.35 176.95 1w12 n GLN 204 N 4.71 -5.87 -2.91 1.98 3.00 -1.26 -1.36 117.38 115.67 1w12 n GLN 204 Ca -0.14 0.76 -0.21 0.00 -0.01 0.00 0.00 57.00 57.39 1w12 n GLN 204 Cb 0.50 -5.67 0.03 0.00 0.00 0.00 0.00 30.24 25.10 1w12 n GLN 204 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1w12 n GLY 205 N -1.68 -0.46 3.00 1.08 0.00 -1.26 -4.99 105.19 100.87 1w12 n GLY 205 Ca -0.02 0.07 -0.12 0.00 0.00 0.00 0.00 46.02 45.94 1w12 n GLY 205 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1w12 s ARG 206 N -5.57 0.14 0.02 1.61 3.52 -0.46 -5.12 118.95 113.09 1w12 s ARG 206 Ca 0.26 0.20 -0.30 0.00 -0.13 0.00 0.00 55.73 55.75 1w12 s ARG 206 Cb -0.11 0.05 -0.07 0.00 -1.56 0.00 0.00 34.95 33.26 1w12 s ARG 206 CO 0.32 -0.03 1.54 -1.64 -0.81 0.00 0.00 175.30 174.68 1w12 s MET 207 N 0.17 4.23 0.04 5.12 -1.94 -1.26 0.14 119.30 125.79 1w12 s MET 207 Ca -0.01 2.14 0.04 0.00 -1.71 0.00 0.00 55.69 56.15 1w12 s MET 207 Cb -0.02 -3.66 -0.02 0.00 2.01 0.00 0.00 34.83 33.14 1w12 s MET 207 CO -0.00 -0.69 -0.11 0.99 -0.01 0.00 0.00 175.02 175.20 1w12 s THR 208 N 2.79 0.87 -0.53 2.05 2.01 0.12 -4.17 115.64 118.78 1w12 s THR 208 Ca 0.69 -0.96 -0.27 0.00 0.31 0.00 0.00 61.69 61.45 1w12 s THR 208 Cb -0.35 -0.83 -0.01 0.00 0.01 0.00 0.00 72.50 71.33 1w12 s THR 208 CO 0.29 -0.11 1.68 -0.22 -0.69 0.00 0.00 174.62 175.57 1w12 s LEU 209 N -1.21 3.37 -0.15 4.42 0.20 0.16 -1.60 118.68 123.87 1w12 s LEU 209 Ca -0.02 0.52 0.11 0.00 0.69 0.00 0.00 54.13 55.43 1w12 s LEU 209 Cb -0.08 -2.92 -0.23 0.00 -0.43 0.00 0.00 46.19 42.52 1w12 s LEU 209 CO 0.01 -1.99 0.26 0.41 -0.29 0.00 0.00 176.35 174.75 1w12 n THR 210 N 7.12 1.53 -3.92 3.68 -1.04 -0.00 -4.09 114.28 117.56 1w12 n THR 210 Ca 0.18 -0.77 -0.09 0.00 -2.04 0.00 0.00 64.05 61.33 1w12 n THR 210 Cb 0.50 -0.95 -0.04 0.00 -1.82 0.00 0.00 70.33 68.02 1w12 n THR 210 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 1w12 s GLY 211 N -5.52 0.26 -0.09 3.41 0.00 -1.02 -2.58 107.32 101.78 1w12 s GLY 211 Ca -0.13 -0.62 0.04 0.00 0.00 0.00 0.00 44.72 44.01 1w12 s GLY 211 CO 0.79 -0.42 -0.24 -0.42 0.00 0.00 0.00 173.10 172.81 1w12 s ILE 212 N -3.97 2.01 0.05 0.90 1.01 -1.06 -0.67 121.20 119.47 1w12 s ILE 212 Ca 0.17 -1.00 -0.30 0.00 0.00 0.00 0.00 60.65 59.51 1w12 s ILE 212 Cb -0.02 -1.73 -0.09 0.00 0.01 0.00 0.00 42.46 40.63 1w12 s ILE 212 CO 0.07 0.55 1.96 -0.69 0.00 0.00 0.00 174.94 176.82 1w12 s VAL 213 N 0.23 2.92 0.06 2.92 1.01 0.10 -1.17 120.40 126.47 1w12 s VAL 213 Ca -0.15 0.00 -0.01 0.00 0.00 0.00 0.00 61.98 61.82 1w12 s VAL 213 Cb -0.17 -3.00 -0.00 0.00 0.00 0.00 0.00 36.38 33.21 1w12 s VAL 213 CO 0.07 -0.00 -0.02 -0.24 0.00 0.00 0.00 175.10 174.91 1w12 n SER 214 N 7.26 0.90 -2.89 3.32 2.88 -0.87 -1.25 113.62 122.96 1w12 n SER 214 Ca 0.20 0.12 -0.10 0.00 -1.33 0.00 0.00 58.87 57.75 1w12 n SER 214 Cb 0.41 -0.29 0.02 0.00 -0.75 0.00 0.00 64.21 63.59 1w12 n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 1w12 s TRP 215 N -1.81 0.35 0.00 0.66 1.48 -0.95 -4.96 118.94 113.72 1w12 s TRP 215 Ca -0.02 -0.96 0.00 0.00 -1.06 0.00 0.00 56.10 54.07 1w12 s TRP 215 Cb 0.00 0.66 0.00 0.00 -1.16 0.00 0.00 33.47 32.97 1w12 s TRP 215 CO 0.02 -1.52 0.00 0.41 -4.06 0.00 0.00 176.95 171.80 1w12 n GLY 216 N -0.55 1.82 3.57 3.67 0.00 -1.26 -0.28 105.19 112.17 1w12 n GLY 216 Ca -0.07 -0.62 -0.43 0.00 0.00 0.00 0.00 46.02 44.90 1w12 n GLY 216 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1w12 s ARG 217 N -2.00 3.57 3.33 1.61 6.06 -1.26 -4.86 118.95 125.40 1w12 s ARG 217 Ca 0.00 0.25 0.00 0.00 -2.50 0.00 0.00 55.73 53.48 1w12 s ARG 217 Cb 0.00 -3.92 0.00 0.00 0.06 0.00 0.00 34.95 31.09 1w12 s ARG 217 CO 0.00 -1.27 0.00 0.41 -2.50 0.00 0.00 175.30 171.94 1w12 n GLY 219 N 4.92 0.12 2.92 8.12 0.00 -1.26 -4.51 105.19 115.49 1w12 n GLY 219 Ca 0.08 -0.93 -0.14 0.00 0.00 0.00 0.00 46.02 45.03 1w12 n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1w12 n ALA 221 N 5.34 -0.54 -2.07 0.00 0.00 -1.26 -4.85 120.51 117.13 1w12 n ALA 221 Ca -0.06 0.16 -0.40 0.00 0.00 0.00 0.00 53.44 53.15 1w12 n ALA 221 Cb 0.50 -2.25 -0.06 0.00 0.00 0.00 0.00 19.45 17.64 1w12 n ALA 221 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1w12 s LEU 222 N -4.37 4.56 0.18 0.00 1.43 -1.26 -4.67 118.68 114.56 1w12 s LEU 222 Ca 0.11 1.63 -0.32 0.00 -1.03 0.00 0.00 54.13 54.52 1w12 s LEU 222 Cb -0.05 -3.32 -0.12 0.00 0.03 0.00 0.00 46.19 42.74 1w12 s LEU 222 CO 0.13 0.15 1.75 1.17 0.23 0.00 0.00 176.35 179.78 1w12 n LYS 223 N 1.92 2.74 -1.26 1.70 4.81 -1.26 -1.90 118.16 124.90 1w12 n LYS 223 Ca -0.04 0.99 -0.09 0.00 -0.87 0.00 0.00 58.31 58.30 1w12 n LYS 223 Cb 0.49 -2.84 -0.04 0.00 0.02 0.00 0.00 35.03 32.66 1w12 n LYS 223 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1w12 n ASP 223 N 4.38 -4.41 -3.67 3.14 8.00 -1.26 -4.96 116.55 117.76 1w12 n ASP 223 Ca 0.17 0.23 -0.29 0.00 0.71 0.00 0.00 54.79 55.61 1w12 n ASP 223 Cb 0.35 -2.71 -0.12 0.00 -0.02 0.00 0.00 41.12 38.62 1w12 n ASP 223 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1w12 s LYS 224 N -2.59 1.44 0.80 -1.24 -0.14 -0.80 -4.34 119.74 112.87 1w12 s LYS 224 Ca 0.00 -2.31 -0.10 0.00 -1.36 0.00 0.00 55.97 52.19 1w12 s LYS 224 Cb 0.00 -2.33 0.08 0.00 -1.68 0.00 0.00 37.83 33.89 1w12 s LYS 224 CO 0.00 -1.24 1.10 -2.14 -0.76 0.00 0.00 175.35 172.30 1w12 s PRO 225 N -0.10 2.00 0.38 -1.68 0.02 -1.26 -4.32 135.00 130.04 1w12 s PRO 225 Ca 0.23 1.20 -0.23 0.00 0.02 0.00 0.00 61.00 62.22 1w12 s PRO 225 Cb -0.13 -1.86 -0.10 0.00 0.02 0.00 0.00 34.50 32.42 1w12 s PRO 225 CO -0.08 -1.84 0.94 0.20 -0.33 0.00 0.00 177.00 175.89 1w12 s GLY 226 N -3.29 2.56 -0.11 0.52 0.00 -0.65 -4.55 107.32 101.80 1w12 s GLY 226 Ca 0.62 0.45 0.01 0.00 0.00 0.00 0.00 44.72 45.80 1w12 s GLY 226 CO 0.56 0.79 -0.13 0.14 0.00 0.00 0.00 173.10 174.46 1w12 s VAL 227 N -1.94 3.05 0.15 1.40 1.01 0.62 -1.84 120.40 122.85 1w12 s VAL 227 Ca 0.57 -0.68 0.10 0.00 0.00 0.00 0.00 61.98 61.97 1w12 s VAL 227 Cb -0.13 -2.25 -0.04 0.00 0.00 0.00 0.00 36.38 33.96 1w12 s VAL 227 CO 0.17 0.54 -0.23 -0.31 0.00 0.00 0.00 175.10 175.28 1w12 s TYR 228 N 0.03 2.12 -0.07 5.22 1.51 0.16 -2.06 117.35 124.27 1w12 s TYR 228 Ca -0.04 -0.39 -0.30 0.00 -1.01 0.00 0.00 57.07 55.32 1w12 s TYR 228 Cb -0.14 -1.10 -0.03 0.00 -0.11 0.00 0.00 41.96 40.58 1w12 s TYR 228 CO 0.04 0.37 1.19 0.99 -1.11 0.00 0.00 175.55 177.04 1w12 s THR 229 N -1.47 4.29 -0.80 -0.71 2.01 -0.31 -0.35 115.64 118.30 1w12 s THR 229 Ca 0.15 1.60 -0.25 0.00 0.31 0.00 0.00 61.69 63.50 1w12 s THR 229 Cb -0.09 -4.03 -0.01 0.00 0.01 0.00 0.00 72.50 68.39 1w12 s THR 229 CO 0.07 -0.01 1.69 -0.60 -0.69 0.00 0.00 174.62 175.08 1w12 s ARG 230 N 2.32 2.90 0.24 4.92 3.52 -0.20 -2.58 118.95 130.07 1w12 s ARG 230 Ca 0.55 -0.15 -0.04 0.00 -0.13 0.00 0.00 55.73 55.96 1w12 s ARG 230 Cb -0.24 -4.73 0.46 0.00 -1.56 0.00 0.00 34.95 28.89 1w12 s ARG 230 CO 0.21 -2.71 1.71 0.28 -0.81 0.00 0.00 175.30 173.98 1w12 h VAL 231 N 6.81 0.59 -0.25 7.11 2.07 -1.81 -2.01 116.25 128.75 1w12 h VAL 231 Ca -0.07 -0.12 0.07 0.00 0.82 0.00 0.00 66.70 67.40 1w12 h VAL 231 Cb 1.06 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 31.02 1w12 h VAL 231 CO 1.27 0.06 0.20 0.77 0.02 0.00 0.00 177.57 179.89 1w12 h SER 232 N 0.36 0.00 -0.03 0.57 4.64 -1.87 -0.01 113.55 117.21 1w12 h SER 232 Ca 0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.74 1w12 h SER 232 Cb 0.67 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.76 1w12 h SER 232 CO -0.45 0.00 0.00 1.41 -0.87 0.00 0.00 176.83 176.92 1w12 n HIS 233 N -4.26 0.03 -0.48 4.77 8.25 -0.76 -3.56 115.22 119.23 1w12 n HIS 233 Ca 0.03 -0.02 0.03 0.00 -0.26 0.00 0.00 57.72 57.50 1w12 n HIS 233 Cb 0.35 0.00 0.04 0.00 1.12 0.00 0.00 29.99 31.50 1w12 n HIS 233 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1w12 n PHE 234 N -0.57 0.00 -0.31 4.41 3.01 -0.02 -4.83 117.46 119.15 1w12 n PHE 234 Ca 0.18 -0.57 -0.02 0.00 1.01 0.00 0.00 57.45 58.05 1w12 n PHE 234 Cb 0.15 -0.07 0.11 0.00 -0.01 0.00 0.00 39.48 39.65 1w12 n PHE 234 CO 0.00 0.00 0.00 -0.07 1.01 0.00 0.00 176.76 177.70 1w12 h LEU 235 N 0.00 0.93 -0.87 4.37 3.38 -1.60 -1.56 115.31 119.96 1w12 h LEU 235 Ca 0.00 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 1w12 h LEU 235 Cb 0.72 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.22 1w12 h LEU 235 CO 0.00 0.65 0.41 -0.65 0.09 0.00 0.00 178.44 178.94 1w12 h PRO 236 N 1.09 1.23 -0.11 1.13 0.11 -1.89 -1.85 132.00 131.71 1w12 h PRO 236 Ca 0.34 -0.18 -0.00 0.00 0.11 0.00 0.00 66.00 66.26 1w12 h PRO 236 Cb -0.02 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 30.86 1w12 h PRO 236 CO -0.11 0.94 0.06 2.35 -0.21 0.00 0.00 178.00 181.03 1w12 h TRP 237 N 1.22 0.16 -0.88 0.65 7.01 -1.83 -2.02 115.95 120.26 1w12 h TRP 237 Ca 0.29 -0.01 0.01 0.00 2.11 0.00 0.00 58.89 61.30 1w12 h TRP 237 Cb 0.12 -0.05 -0.04 0.00 -2.10 0.00 0.00 29.16 27.08 1w12 h TRP 237 CO 0.02 0.20 0.58 0.82 -2.79 0.00 0.00 178.44 177.27 1w12 h ILE 238 N 0.07 1.22 -0.37 2.65 2.04 -1.10 -2.87 117.51 119.15 1w12 h ILE 238 Ca 0.04 -0.41 -0.12 0.00 1.00 0.00 0.00 64.86 65.38 1w12 h ILE 238 Cb 0.10 -0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 36.10 1w12 h ILE 238 CO -0.01 0.22 -0.23 0.03 0.00 0.00 0.00 178.15 178.16 1w12 h ARG 239 N 1.19 0.81 0.00 2.37 3.08 -1.19 -2.78 114.38 117.86 1w12 h ARG 239 Ca 0.32 -0.37 -0.05 0.00 0.07 0.00 0.00 59.98 59.95 1w12 h ARG 239 Cb -0.13 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 29.90 1w12 h ARG 239 CO -0.07 1.00 -0.22 0.66 -1.07 0.00 0.00 179.97 180.27 1w12 h SER 240 N 0.60 0.00 0.51 7.04 4.64 -1.25 -3.01 113.55 122.08 1w12 h SER 240 Ca 0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 1w12 h SER 240 Cb 0.79 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.88 1w12 h SER 240 CO 0.06 0.22 -0.87 1.41 -0.87 0.00 0.00 176.83 176.79 1w12 n HIS 241 N -3.60 0.27 -1.16 4.77 8.25 -1.09 -4.04 115.22 118.62 1w12 n HIS 241 Ca -0.01 0.08 -0.05 0.00 -0.26 0.00 0.00 57.72 57.48 1w12 n HIS 241 Cb 0.35 -0.43 0.26 0.00 1.12 0.00 0.00 29.99 31.29 1w12 n HIS 241 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1w12 n THR 242 N -1.90 2.76 0.00 1.59 -2.24 -1.05 -4.87 114.28 108.57 1w12 n THR 242 Ca 0.03 -1.99 0.00 0.00 -2.27 0.00 0.00 64.05 59.82 1w12 n THR 242 Cb 0.42 -0.34 0.00 0.00 -2.10 0.00 0.00 70.33 68.30 1w12 n THR 242 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1w12 n LYS 243 N -0.59 0.00 0.00 -0.78 4.76 -1.23 -5.03 118.16 115.29 1w12 n LYS 243 Ca 0.38 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.82 1w12 n LYS 243 Cb 1.25 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 34.44 1w12 n LYS 243 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12