#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fda s VAL 17 N 0.00 4.92 -0.57 1.39 1.01 0.90 -4.18 120.40 123.87 2fda s VAL 17 Ca 0.00 1.05 0.00 0.00 0.00 0.00 0.00 61.98 63.03 2fda s VAL 17 Cb 0.00 -3.83 0.00 0.00 0.00 0.00 0.00 36.38 32.55 2fda s VAL 17 CO 0.00 0.52 0.00 0.61 0.00 0.00 0.00 175.10 176.23 2fda n GLY 18 N 2.03 0.74 0.56 4.51 0.00 -1.24 -2.27 105.19 109.53 2fda n GLY 18 Ca -0.11 -0.33 -0.03 0.00 0.00 0.00 0.00 46.02 45.55 2fda n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2fda n GLY 19 N -1.53 1.50 3.35 -0.02 0.00 -1.26 -4.85 105.19 102.38 2fda n GLY 19 Ca -0.05 -2.08 -0.18 0.00 0.00 0.00 0.00 46.02 43.71 2fda n GLY 19 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2fda s THR 20 N 0.21 0.82 0.28 2.61 -4.23 -0.04 -4.89 115.64 110.40 2fda s THR 20 Ca 0.09 -2.01 -0.30 0.00 -1.18 0.00 0.00 61.69 58.30 2fda s THR 20 Cb -0.01 -2.57 -0.10 0.00 1.34 0.00 0.00 72.50 71.16 2fda s THR 20 CO 0.06 -0.11 1.45 0.00 -0.54 0.00 0.00 174.62 175.48 2fda s ALA 21 N -3.57 3.62 0.48 3.99 0.00 -1.26 -0.59 121.76 124.44 2fda s ALA 21 Ca 0.34 1.38 -0.15 0.00 0.00 0.00 0.00 51.96 53.54 2fda s ALA 21 Cb 0.07 -3.57 -0.08 0.00 0.00 0.00 0.00 23.12 19.55 2fda s ALA 21 CO 0.12 -0.80 0.93 0.45 0.00 0.00 0.00 175.76 176.46 2fda s SER 22 N 0.20 6.61 0.29 0.00 0.15 0.16 -4.79 113.70 116.31 2fda s SER 22 Ca 0.58 1.46 -0.28 0.00 0.70 0.00 0.00 55.95 58.41 2fda s SER 22 Cb -0.43 -2.46 -0.09 0.00 -1.71 0.00 0.00 66.02 61.32 2fda s SER 22 CO 0.47 -0.53 0.94 -0.69 1.20 0.00 0.00 173.24 174.64 2fda s VAL 23 N -2.54 4.14 0.10 4.45 1.01 -1.26 -4.90 120.40 121.40 2fda s VAL 23 Ca 0.57 1.95 -0.34 0.00 0.00 0.00 0.00 61.98 64.15 2fda s VAL 23 Cb -0.10 -4.16 -0.14 0.00 0.00 0.00 0.00 36.38 31.99 2fda s VAL 23 CO 0.31 0.31 1.61 -1.14 0.00 0.00 0.00 175.10 176.18 2fda n ARG 24 N 0.98 2.05 -0.92 2.72 0.63 -1.26 -1.27 116.66 119.59 2fda n ARG 24 Ca 0.00 0.74 0.00 0.00 -0.92 0.00 0.00 57.85 57.67 2fda n ARG 24 Cb 0.49 -2.51 0.00 0.00 0.45 0.00 0.00 32.46 30.89 2fda n ARG 24 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2fda n GLY 25 N 3.52 0.90 0.32 5.14 0.00 -1.26 -4.89 105.19 108.92 2fda n GLY 25 Ca 0.18 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.17 2fda n GLY 25 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2fda h GLU 26 N 2.87 1.11 -2.21 1.61 4.81 -1.53 -3.31 114.58 117.94 2fda h GLU 26 Ca 0.00 -0.07 -0.59 0.00 -0.13 0.00 0.00 59.36 58.57 2fda h GLU 26 Cb 0.00 -0.25 -0.42 0.00 0.63 0.00 0.00 28.75 28.71 2fda h GLU 26 CO 0.00 0.74 -0.67 0.91 -0.73 0.00 0.00 179.01 179.25 2fda n TRP 27 N -4.50 2.99 0.38 0.92 7.02 -1.26 -4.94 117.44 118.05 2fda n TRP 27 Ca 0.09 -4.07 0.09 0.00 -1.02 0.00 0.00 57.50 52.59 2fda n TRP 27 Cb 0.02 -0.52 0.40 0.00 -2.42 0.00 0.00 31.31 28.78 2fda n TRP 27 CO 0.00 0.00 0.00 -0.35 -2.02 0.00 0.00 177.69 175.32 2fda n PRO 28 N 1.00 0.10 0.05 -0.99 -0.04 -1.25 -0.59 135.00 133.29 2fda n PRO 28 Ca 0.28 0.39 0.12 0.00 -0.04 0.00 0.00 63.50 64.26 2fda n PRO 28 Cb 0.43 -1.72 0.29 0.00 -0.04 0.00 0.00 33.50 32.45 2fda n PRO 28 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 2fda n TRP 29 N -1.92 0.49 -2.39 0.54 2.14 -1.16 -2.30 117.44 112.84 2fda n TRP 29 Ca 0.02 0.14 -0.42 0.00 2.07 0.00 0.00 57.50 59.31 2fda n TRP 29 Cb 0.17 -0.64 -0.03 0.00 -0.81 0.00 0.00 31.31 30.01 2fda n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 2fda s GLN 30 N -3.11 4.36 0.20 -2.67 2.00 0.24 -0.52 119.66 120.17 2fda s GLN 30 Ca 0.09 1.77 0.07 0.00 -2.00 0.00 0.00 55.36 55.29 2fda s GLN 30 Cb 0.14 -3.49 -0.05 0.00 0.80 0.00 0.00 33.01 30.42 2fda s GLN 30 CO 0.67 -0.41 -0.12 0.14 -0.50 0.00 0.00 175.29 175.06 2fda s VAL 31 N 1.86 1.59 -0.20 1.34 -7.23 -0.20 -4.36 120.40 113.20 2fda s VAL 31 Ca 0.59 -2.17 -0.03 0.00 -1.81 0.00 0.00 61.98 58.56 2fda s VAL 31 Cb -0.28 -2.06 -0.00 0.00 0.56 0.00 0.00 36.38 34.60 2fda s VAL 31 CO 0.25 -0.59 -0.08 0.28 -0.31 0.00 0.00 175.10 174.66 2fda s THR 32 N -3.07 3.12 -0.11 5.32 -1.32 -0.83 -2.44 115.64 116.32 2fda s THR 32 Ca 0.22 -0.58 -0.23 0.00 -1.21 0.00 0.00 61.69 59.89 2fda s THR 32 Cb 0.01 -2.40 -0.03 0.00 -1.51 0.00 0.00 72.50 68.57 2fda s THR 32 CO 0.06 0.45 0.68 -0.22 -2.21 0.00 0.00 174.62 173.38 2fda s LEU 33 N 1.32 4.27 0.11 9.08 2.96 0.58 -2.18 118.68 134.81 2fda s LEU 33 Ca 0.04 1.08 0.10 0.00 -0.22 0.00 0.00 54.13 55.13 2fda s LEU 33 Cb -0.14 -3.02 -0.04 0.00 0.50 0.00 0.00 46.19 43.49 2fda s LEU 33 CO -0.04 -0.16 -0.26 -1.00 -1.32 0.00 0.00 176.35 173.57 2fda s HIS 34 N 1.11 2.33 -0.05 5.38 3.76 0.53 -0.28 115.29 128.08 2fda s HIS 34 Ca 0.35 -0.38 0.06 0.00 -0.15 0.00 0.00 55.06 54.94 2fda s HIS 34 Cb -0.17 -1.30 -0.01 0.00 1.11 0.00 0.00 32.58 32.21 2fda s HIS 34 CO 0.15 0.29 -0.23 -0.08 -0.85 0.00 0.00 174.74 174.01 2fda s THR 35 N -1.00 2.21 -2.37 1.30 -1.32 -0.28 -0.86 115.64 113.34 2fda s THR 35 Ca 0.14 -1.02 0.21 0.00 -1.21 0.00 0.00 61.69 59.81 2fda s THR 35 Cb -0.10 -1.81 0.43 0.00 -1.51 0.00 0.00 72.50 69.51 2fda s THR 35 CO 0.05 0.57 1.47 0.35 -2.21 0.00 0.00 174.62 174.86 2fda n THR 36 N 2.81 0.33 -4.45 5.08 -2.24 -0.53 -0.74 114.28 114.53 2fda n THR 36 Ca -0.17 -0.51 -0.29 0.00 -2.27 0.00 0.00 64.05 60.80 2fda n THR 36 Cb 0.52 0.63 -0.17 0.00 -2.10 0.00 0.00 70.33 69.22 2fda n THR 36 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2fda s SER 37 N -1.53 2.59 -0.02 3.42 0.15 -1.26 -3.59 113.70 113.47 2fda s SER 37 Ca 0.34 -0.47 -0.24 0.00 0.70 0.00 0.00 55.95 56.29 2fda s SER 37 Cb 0.19 -1.16 -0.20 0.00 -1.71 0.00 0.00 66.02 63.14 2fda s SER 37 CO 0.28 0.02 1.19 -0.65 1.20 0.00 0.00 173.24 175.29 2fda h PRO 37 N 7.46 0.17 -6.35 5.44 0.11 -2.02 -3.47 132.00 133.34 2fda h PRO 37 Ca -0.32 -0.12 -0.69 0.00 0.11 0.00 0.00 66.00 64.98 2fda h PRO 37 Cb 1.17 0.02 -0.27 0.00 0.11 0.00 0.00 31.00 32.03 2fda h PRO 37 CO 0.51 0.73 -0.84 0.95 -0.21 0.00 0.00 178.00 179.14 2fda s THR 37 N -3.82 2.49 0.12 -1.15 -4.23 -1.24 -5.07 115.64 102.74 2fda s THR 37 Ca -0.15 -0.93 -0.26 0.00 -1.18 0.00 0.00 61.69 59.16 2fda s THR 37 Cb 0.02 -1.92 -0.15 0.00 1.34 0.00 0.00 72.50 71.79 2fda s THR 37 CO 0.72 0.58 0.55 1.67 -0.54 0.00 0.00 174.62 177.60 2fda n GLN 37 N 2.51 0.00 -3.54 3.99 7.27 -1.20 -4.68 117.38 121.72 2fda n GLN 37 Ca -0.17 0.00 -0.07 0.00 0.07 0.00 0.00 57.00 56.83 2fda n GLN 37 Cb 0.52 -0.93 -0.02 0.00 2.41 0.00 0.00 30.24 32.21 2fda n GLN 37 CO 0.00 0.00 0.00 -0.98 0.07 0.00 0.00 177.06 176.15 2fda s ARG 37 N -0.61 0.61 0.03 3.69 1.70 0.08 -4.94 118.95 119.50 2fda s ARG 37 Ca 0.59 -0.18 -0.30 0.00 -0.47 0.00 0.00 55.73 55.36 2fda s ARG 37 Cb -0.84 0.28 -0.07 0.00 -0.57 0.00 0.00 34.95 33.75 2fda s ARG 37 CO 0.46 -0.26 1.56 -1.58 -1.08 0.00 0.00 175.30 174.41 2fda s HIS 38 N -2.63 2.52 -0.11 5.89 5.65 -1.26 -1.12 115.29 124.22 2fda s HIS 38 Ca 0.06 0.48 -0.13 0.00 0.25 0.00 0.00 55.06 55.72 2fda s HIS 38 Cb -0.01 -3.85 -0.04 0.00 -1.18 0.00 0.00 32.58 27.50 2fda s HIS 38 CO -0.06 -3.36 -0.26 -0.11 -0.65 0.00 0.00 174.74 170.30 2fda n LEU 39 N 5.72 1.68 -4.02 8.88 7.94 0.62 -4.90 117.00 132.92 2fda n LEU 39 Ca 0.15 0.28 -0.11 0.00 -1.11 0.00 0.00 56.01 55.22 2fda n LEU 39 Cb 0.42 -0.64 -0.05 0.00 0.53 0.00 0.00 43.42 43.68 2fda n LEU 39 CO 0.61 -0.38 0.17 0.00 -1.11 0.00 0.00 177.39 176.68 2fda s GLY 41 N -3.10 1.78 0.01 0.00 0.00 0.23 -0.31 107.32 105.93 2fda s GLY 41 Ca 0.25 -1.90 -0.29 0.00 0.00 0.00 0.00 44.72 42.78 2fda s GLY 41 CO 0.13 -1.46 1.13 -0.32 0.00 0.00 0.00 173.10 172.58 2fda s GLY 42 N -4.63 -0.35 -0.04 0.20 0.00 -1.02 -3.81 107.32 97.67 2fda s GLY 42 Ca 0.62 0.71 0.03 0.00 0.00 0.00 0.00 44.72 46.08 2fda s GLY 42 CO 0.40 0.18 -0.12 -0.56 0.00 0.00 0.00 173.10 173.00 2fda s SER 43 N -2.78 1.63 -0.07 1.64 0.01 -0.17 -1.03 113.70 112.93 2fda s SER 43 Ca 0.12 -0.26 -0.30 0.00 1.31 0.00 0.00 55.95 56.81 2fda s SER 43 Cb 0.01 -0.58 -0.04 0.00 0.21 0.00 0.00 66.02 65.63 2fda s SER 43 CO -0.03 0.07 1.35 -0.63 0.41 0.00 0.00 173.24 174.41 2fda s ILE 44 N 0.36 3.98 0.00 1.44 1.01 0.33 -0.25 121.20 128.07 2fda s ILE 44 Ca -0.08 1.28 0.00 0.00 0.00 0.00 0.00 60.65 61.86 2fda s ILE 44 Cb -0.12 -3.83 0.00 0.00 0.01 0.00 0.00 42.46 38.52 2fda s ILE 44 CO 0.02 -0.05 0.18 2.30 0.00 0.00 0.00 174.94 177.40 2fda n ILE 45 N 4.97 0.00 -3.73 2.92 -5.35 -0.82 -1.23 119.36 116.11 2fda n ILE 45 Ca 0.13 -0.41 -0.04 0.00 -0.27 0.00 0.00 62.75 62.16 2fda n ILE 45 Cb 0.44 1.08 -0.01 0.00 -1.74 0.00 0.00 39.64 39.41 2fda n ILE 45 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 2fda s GLY 46 N -0.46 -0.25 0.63 3.28 0.00 -1.18 -4.81 107.32 104.52 2fda s GLY 46 Ca 0.00 0.21 0.41 0.00 0.00 0.00 0.00 44.72 45.34 2fda s GLY 46 CO 0.00 0.03 2.26 3.45 0.00 0.00 0.00 173.10 178.84 2fda h ASN 47 N 2.00 0.00 0.00 1.64 7.08 -1.98 -2.19 115.58 122.13 2fda h ASN 47 Ca -0.24 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 52.98 2fda h ASN 47 Cb 1.23 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.47 2fda h ASN 47 CO 0.26 0.00 -0.16 1.67 -2.08 0.00 0.00 177.43 177.12 2fda n GLN 48 N -3.10 0.97 -4.18 4.14 7.27 -1.26 0.18 117.38 121.40 2fda n GLN 48 Ca -0.02 -1.54 -0.23 0.00 0.07 0.00 0.00 57.00 55.28 2fda n GLN 48 Cb 0.14 -0.93 -0.17 0.00 2.41 0.00 0.00 30.24 31.70 2fda n GLN 48 CO 0.00 0.00 0.00 -1.58 0.07 0.00 0.00 177.06 175.55 2fda s TRP 51 N -1.15 1.12 -0.14 3.69 0.52 -0.82 -0.94 118.94 121.22 2fda s TRP 51 Ca 0.11 -0.42 -0.02 0.00 0.02 0.00 0.00 56.10 55.79 2fda s TRP 51 Cb 0.09 -0.93 -0.02 0.00 -1.15 0.00 0.00 33.47 31.46 2fda s TRP 51 CO 0.01 -0.31 -0.08 0.42 0.02 0.00 0.00 176.95 177.01 2fda s ILE 52 N 1.15 3.52 -0.19 2.03 -1.09 -0.58 -1.95 121.20 124.09 2fda s ILE 52 Ca -0.07 -0.50 -0.09 0.00 -2.23 0.00 0.00 60.65 57.76 2fda s ILE 52 Cb -0.14 -2.51 -0.05 0.00 -1.58 0.00 0.00 42.46 38.18 2fda s ILE 52 CO -0.01 0.51 0.12 -0.22 -1.23 0.00 0.00 174.94 174.11 2fda s LEU 53 N 0.27 4.18 0.00 2.97 2.96 0.65 -0.95 118.68 128.76 2fda s LEU 53 Ca -0.06 0.24 0.00 0.00 -0.22 0.00 0.00 54.13 54.09 2fda s LEU 53 Cb -0.15 -2.07 0.00 0.00 0.50 0.00 0.00 46.19 44.47 2fda s LEU 53 CO 0.04 0.21 0.00 1.07 -1.32 0.00 0.00 176.35 176.35 2fda n THR 54 N 3.31 0.00 -3.50 3.68 5.66 -0.60 -1.00 114.28 121.82 2fda n THR 54 Ca -0.17 0.00 -0.38 0.00 -3.05 0.00 0.00 64.05 60.46 2fda n THR 54 Cb 0.52 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 69.24 2fda n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2fda s ALA 55 N -1.34 3.68 0.26 1.79 0.00 -1.26 -1.38 121.76 123.52 2fda s ALA 55 Ca 0.00 -0.25 -0.04 0.00 0.00 0.00 0.00 51.96 51.67 2fda s ALA 55 Cb 0.00 -2.39 0.33 0.00 0.00 0.00 0.00 23.12 21.06 2fda s ALA 55 CO 0.00 0.41 1.85 0.00 0.00 0.00 0.00 175.76 178.02 2fda h ALA 56 N 5.06 1.21 0.00 0.00 0.00 -1.72 -2.85 119.26 120.95 2fda h ALA 56 Ca -0.50 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.25 2fda h ALA 56 Cb 1.21 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.72 2fda h ALA 56 CO 0.64 0.59 0.00 -2.39 0.00 0.00 0.00 179.25 178.08 2fda n HIS 57 N -4.31 0.56 0.29 0.00 1.44 -1.26 -1.78 115.22 110.16 2fda n HIS 57 Ca 0.06 0.23 0.14 0.00 -2.01 0.00 0.00 57.72 56.14 2fda n HIS 57 Cb 0.16 -0.86 0.66 0.00 0.12 0.00 0.00 29.99 30.07 2fda n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2fda n PHE 59 N -2.50 1.73 -1.84 0.00 3.01 -0.73 -4.93 117.46 112.19 2fda n PHE 59 Ca -0.00 -1.17 -0.42 0.00 1.01 0.00 0.00 57.45 56.86 2fda n PHE 59 Cb 0.15 -0.53 -0.03 0.00 -0.01 0.00 0.00 39.48 39.06 2fda n PHE 59 CO 0.00 0.00 0.00 -0.47 1.01 0.00 0.00 176.76 177.30 2fda s TYR 59 N -2.99 1.80 0.00 1.38 5.04 -1.13 -1.83 117.35 119.61 2fda s TYR 59 Ca 0.49 -0.05 0.00 0.00 -2.44 0.00 0.00 57.07 55.07 2fda s TYR 59 Cb 0.40 -4.07 0.00 0.00 0.35 0.00 0.00 41.96 38.64 2fda s TYR 59 CO 0.10 -4.60 0.00 0.41 -1.34 0.00 0.00 175.55 170.12 2fda n GLY 59 N 4.27 1.59 3.61 8.97 0.00 -1.26 -5.01 105.19 117.36 2fda n GLY 59 Ca 0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.77 2fda n GLY 59 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2fda s VAL 59 N -2.49 4.42 -0.15 1.61 1.01 -0.76 -4.88 120.40 119.15 2fda s VAL 59 Ca 0.00 1.36 0.21 0.00 0.00 0.00 0.00 61.98 63.55 2fda s VAL 59 Cb 0.00 -4.47 -0.14 0.00 0.00 0.00 0.00 36.38 31.77 2fda s VAL 59 CO 0.00 -0.71 0.77 -0.62 0.00 0.00 0.00 175.10 174.54 2fda n GLU 60 N 7.22 0.63 -3.79 2.72 1.02 -1.26 -4.94 120.64 122.24 2fda n GLU 60 Ca 0.10 0.03 -0.13 0.00 -0.02 0.00 0.00 57.16 57.15 2fda n GLU 60 Cb 0.48 -1.71 -0.10 0.00 -0.02 0.00 0.00 31.44 30.09 2fda n GLU 60 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2fda s SER 61 N -5.18 -0.22 0.00 1.62 0.15 -1.26 -5.02 113.70 103.79 2fda s SER 61 Ca -0.04 0.32 0.17 0.00 0.70 0.00 0.00 55.95 57.11 2fda s SER 61 Cb 0.11 0.45 0.76 0.00 -1.71 0.00 0.00 66.02 65.62 2fda s SER 61 CO 0.83 -0.23 1.56 -0.81 1.20 0.00 0.00 173.24 175.79 2fda n PRO 62 N 2.29 0.03 0.29 5.44 -0.04 -1.26 -3.44 135.00 138.30 2fda n PRO 62 Ca -0.16 0.19 0.16 0.00 -0.04 0.00 0.00 63.50 63.65 2fda n PRO 62 Cb 0.57 -1.50 0.86 0.00 -0.04 0.00 0.00 33.50 33.39 2fda n PRO 62 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 2fda h LYS 63 N 0.00 0.00 -0.23 0.54 1.57 -1.96 -1.41 116.57 115.08 2fda h LYS 63 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2fda h LYS 63 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.60 2fda h LYS 63 CO 0.00 0.06 0.00 0.44 -0.57 0.00 0.00 179.45 179.38 2fda n ILE 64 N -3.44 0.30 -3.99 1.86 -5.35 -1.22 -4.91 119.36 102.60 2fda n ILE 64 Ca -0.02 -0.43 -0.35 0.00 -0.27 0.00 0.00 62.75 61.68 2fda n ILE 64 Cb 0.19 0.44 -0.06 0.00 -1.74 0.00 0.00 39.64 38.47 2fda n ILE 64 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 2fda s LEU 65 N -1.47 4.19 -0.04 7.28 1.43 -0.53 -1.46 118.68 128.08 2fda s LEU 65 Ca 0.32 0.34 0.00 0.00 -1.03 0.00 0.00 54.13 53.77 2fda s LEU 65 Cb 0.18 -2.18 0.03 0.00 0.03 0.00 0.00 46.19 44.24 2fda s LEU 65 CO 0.26 0.35 -0.01 -0.13 0.23 0.00 0.00 176.35 177.05 2fda s ARG 66 N -1.31 0.50 -0.24 1.70 0.52 -0.04 -4.11 118.95 115.98 2fda s ARG 66 Ca 0.19 0.02 -0.09 0.00 -0.52 0.00 0.00 55.73 55.33 2fda s ARG 66 Cb -0.12 -0.65 -0.04 0.00 0.52 0.00 0.00 34.95 34.66 2fda s ARG 66 CO 0.08 -0.14 0.11 0.08 0.02 0.00 0.00 175.30 175.46 2fda s VAL 67 N 1.11 4.85 -0.17 3.52 1.01 -0.32 -0.34 120.40 130.04 2fda s VAL 67 Ca -0.08 0.00 -0.04 0.00 0.00 0.00 0.00 61.98 61.86 2fda s VAL 67 Cb -0.14 -3.25 -0.02 0.00 0.00 0.00 0.00 36.38 32.97 2fda s VAL 67 CO -0.01 0.36 -0.03 -0.31 0.00 0.00 0.00 175.10 175.10 2fda s TYR 68 N 1.19 3.02 0.26 5.22 1.51 -0.93 -0.48 117.35 127.14 2fda s TYR 68 Ca 0.06 -0.41 0.09 0.00 -1.01 0.00 0.00 57.07 55.79 2fda s TYR 68 Cb -0.14 -2.01 -0.04 0.00 -0.11 0.00 0.00 41.96 39.66 2fda s TYR 68 CO 0.04 -0.15 0.08 -1.54 -1.11 0.00 0.00 175.55 172.87 2fda s SER 69 N 0.66 4.94 -1.10 2.29 1.04 -1.26 -1.96 113.70 118.32 2fda s SER 69 Ca -0.02 -0.48 0.00 0.00 0.48 0.00 0.00 55.95 55.93 2fda s SER 69 Cb -0.14 -1.07 0.00 0.00 0.10 0.00 0.00 66.02 64.90 2fda s SER 69 CO 0.02 -0.01 0.00 0.61 0.98 0.00 0.00 173.24 174.84 2fda n GLY 70 N -1.01 0.50 3.81 7.32 0.00 -1.24 -4.99 105.19 109.58 2fda n GLY 70 Ca -0.07 -0.44 -0.37 0.00 0.00 0.00 0.00 46.02 45.14 2fda n GLY 70 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2fda s ILE 71 N -2.51 5.37 -0.17 -0.61 -1.09 -1.26 -4.97 121.20 115.96 2fda s ILE 71 Ca 0.00 0.37 -0.12 0.00 -2.23 0.00 0.00 60.65 58.68 2fda s ILE 71 Cb 0.00 -3.51 -0.07 0.00 -1.58 0.00 0.00 42.46 37.30 2fda s ILE 71 CO 0.00 0.53 -0.27 -0.11 -1.23 0.00 0.00 174.94 173.86 2fda n LEU 72 N 2.60 1.58 -4.62 2.97 7.94 -1.26 -4.91 117.00 121.30 2fda n LEU 72 Ca -0.17 0.27 -0.34 0.00 -1.11 0.00 0.00 56.01 54.66 2fda n LEU 72 Cb 0.53 -0.63 -0.10 0.00 0.53 0.00 0.00 43.42 43.76 2fda n LEU 72 CO 0.35 0.08 -0.29 0.20 -1.11 0.00 0.00 177.39 176.62 2fda s ASN 73 N -6.47 5.30 0.58 1.96 0.02 -1.26 -1.22 114.94 113.85 2fda s ASN 73 Ca -0.26 0.06 0.28 0.00 -1.02 0.00 0.00 52.86 51.92 2fda s ASN 73 Cb 0.08 -1.76 1.61 0.00 0.02 0.00 0.00 41.25 41.20 2fda s ASN 73 CO 0.35 0.25 2.09 1.56 0.02 0.00 0.00 177.10 181.37 2fda h GLN 74 N 6.10 0.00 0.00 -0.60 1.08 -0.78 -0.34 115.11 120.58 2fda h GLN 74 Ca -0.41 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.79 2fda h GLN 74 Cb 1.18 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.61 2fda h GLN 74 CO 0.62 0.00 0.00 0.00 -0.95 0.00 0.00 178.83 178.50 2fda h ALA 75 N 1.77 1.00 0.00 3.87 0.00 -1.94 0.05 119.26 124.01 2fda h ALA 75 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2fda h ALA 75 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2fda h ALA 75 CO -0.00 0.00 0.00 0.93 0.00 0.00 0.00 179.25 180.18 2fda h GLU 76 N 0.00 0.00 -5.27 0.00 5.08 -1.45 -3.42 114.58 109.52 2fda h GLU 76 Ca 0.00 0.00 -0.65 0.00 -1.00 0.00 0.00 59.36 57.71 2fda h GLU 76 Cb 0.15 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 29.25 2fda h GLU 76 CO 0.00 0.00 -0.00 0.42 -1.00 0.00 0.00 179.01 178.43 2fda s ILE 77 N -3.73 4.97 0.33 3.13 1.01 0.00 -4.84 121.20 122.07 2fda s ILE 77 Ca 0.00 0.27 0.04 0.00 0.00 0.00 0.00 60.65 60.96 2fda s ILE 77 Cb 0.10 -4.04 -0.02 0.00 0.01 0.00 0.00 42.46 38.51 2fda s ILE 77 CO 0.50 -0.33 0.16 0.00 0.00 0.00 0.00 174.94 175.27 2fda n ALA 78 N 5.88 0.52 0.13 9.38 0.00 -1.26 -5.01 120.51 130.15 2fda n ALA 78 Ca -0.04 -1.73 0.15 0.00 0.00 0.00 0.00 53.44 51.83 2fda n ALA 78 Cb 0.48 1.23 0.70 0.00 0.00 0.00 0.00 19.45 21.86 2fda n ALA 78 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2fda h GLU 79 N 0.00 0.00 -0.68 0.00 5.08 -2.01 -1.65 114.58 115.32 2fda h GLU 79 Ca -0.25 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.11 2fda h GLU 79 Cb 1.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.28 2fda h GLU 79 CO 0.39 0.00 0.00 -0.40 -1.00 0.00 0.00 179.01 178.00 2fda n ASP 80 N -4.34 3.83 -4.74 1.42 5.75 -1.26 -4.93 116.55 112.28 2fda n ASP 80 Ca 0.04 -2.09 -0.39 0.00 -0.01 0.00 0.00 54.79 52.34 2fda n ASP 80 Cb 0.37 -0.48 -0.05 0.00 -1.03 0.00 0.00 41.12 39.93 2fda n ASP 80 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 2fda s THR 81 N -1.24 4.92 0.53 2.12 2.01 -0.62 -5.04 115.64 118.33 2fda s THR 81 Ca 0.46 1.39 -0.20 0.00 0.31 0.00 0.00 61.69 63.65 2fda s THR 81 Cb 0.25 -4.01 -0.06 0.00 0.01 0.00 0.00 72.50 68.70 2fda s THR 81 CO 0.29 0.35 1.17 -0.94 -0.69 0.00 0.00 174.62 174.80 2fda s SER 81 N 0.21 5.72 0.21 3.53 1.04 -1.26 -4.87 113.70 118.27 2fda s SER 81 Ca 0.35 2.30 -0.09 0.00 0.48 0.00 0.00 55.95 58.98 2fda s SER 81 Cb -0.18 -2.59 -0.01 0.00 0.10 0.00 0.00 66.02 63.33 2fda s SER 81 CO 0.19 -1.23 0.35 0.72 0.98 0.00 0.00 173.24 174.25 2fda s PHE 82 N -1.63 0.53 -0.21 5.02 -0.12 -1.26 -4.86 117.98 115.44 2fda s PHE 82 Ca 0.71 -0.86 -0.09 0.00 -0.05 0.00 0.00 56.93 56.63 2fda s PHE 82 Cb -0.28 -0.03 -0.05 0.00 -0.63 0.00 0.00 43.02 42.03 2fda s PHE 82 CO 0.32 -0.84 0.12 -0.06 -0.05 0.00 0.00 175.22 174.71 2fda s PHE 83 N -4.03 3.33 0.71 3.49 0.08 0.37 -4.94 117.98 116.98 2fda s PHE 83 Ca 0.24 0.20 -0.12 0.00 0.12 0.00 0.00 56.93 57.38 2fda s PHE 83 Cb 0.02 -2.17 0.02 0.00 -0.57 0.00 0.00 43.02 40.32 2fda s PHE 83 CO 0.07 0.16 1.07 0.20 -0.10 0.00 0.00 175.22 176.63 2fda s GLY 84 N 0.61 1.76 -0.23 4.36 0.00 -1.26 -1.18 107.32 111.37 2fda s GLY 84 Ca 0.06 0.21 -0.07 0.00 0.00 0.00 0.00 44.72 44.93 2fda s GLY 84 CO 0.01 0.54 0.05 0.14 0.00 0.00 0.00 173.10 173.83 2fda s VAL 85 N -2.88 4.20 -0.01 1.40 1.01 -1.26 -0.78 120.40 122.08 2fda s VAL 85 Ca 0.60 -0.22 -0.01 0.00 0.00 0.00 0.00 61.98 62.35 2fda s VAL 85 Cb -0.16 -2.94 -0.27 0.00 0.00 0.00 0.00 36.38 33.02 2fda s VAL 85 CO 0.52 0.37 0.80 -0.61 0.00 0.00 0.00 175.10 176.18 2fda h GLN 86 N 7.96 0.22 -2.32 2.72 4.15 -0.51 -3.41 115.11 123.90 2fda h GLN 86 Ca -0.38 -0.37 -0.07 0.00 0.77 0.00 0.00 58.65 58.60 2fda h GLN 86 Cb 1.17 0.14 -0.23 0.00 0.21 0.00 0.00 27.48 28.78 2fda h GLN 86 CO 0.59 1.05 -0.05 -2.00 -1.93 0.00 0.00 178.83 176.49 2fda s GLU 87 N -2.61 0.66 -0.25 1.69 2.12 -1.03 -4.96 118.70 114.32 2fda s GLU 87 Ca -0.10 0.85 -0.11 0.00 0.36 0.00 0.00 54.97 55.98 2fda s GLU 87 Cb 0.07 0.28 -0.05 0.00 0.26 0.00 0.00 34.13 34.69 2fda s GLU 87 CO 0.84 -0.10 0.17 0.42 -0.54 0.00 0.00 175.26 176.05 2fda s ILE 88 N 0.56 5.35 -0.32 -3.70 1.01 -1.26 -1.21 121.20 121.62 2fda s ILE 88 Ca -0.02 0.19 -0.02 0.00 0.00 0.00 0.00 60.65 60.79 2fda s ILE 88 Cb -0.05 -3.51 0.06 0.00 0.01 0.00 0.00 42.46 38.97 2fda s ILE 88 CO -0.03 0.33 0.04 -0.63 0.00 0.00 0.00 174.94 174.65 2fda s ILE 89 N 1.17 3.11 -0.09 2.92 1.01 0.77 -4.98 121.20 125.11 2fda s ILE 89 Ca 0.08 -1.47 -0.09 0.00 0.00 0.00 0.00 60.65 59.17 2fda s ILE 89 Cb -0.14 -2.84 -0.04 0.00 0.01 0.00 0.00 42.46 39.44 2fda s ILE 89 CO 0.06 -0.21 0.21 -0.63 0.00 0.00 0.00 174.94 174.37 2fda s ILE 90 N 1.25 5.39 0.23 2.92 -1.09 -1.26 -0.40 121.20 128.23 2fda s ILE 90 Ca -0.03 0.37 -0.32 0.00 -2.23 0.00 0.00 60.65 58.44 2fda s ILE 90 Cb -0.20 -3.48 -0.13 0.00 -1.58 0.00 0.00 42.46 37.07 2fda s ILE 90 CO -0.01 0.60 1.55 1.57 -1.23 0.00 0.00 174.94 177.42 2fda n HIS 91 N 2.01 2.47 0.31 3.97 -0.00 -1.08 -4.86 115.22 118.05 2fda n HIS 91 Ca -0.18 0.28 0.21 0.00 0.46 0.00 0.00 57.72 58.49 2fda n HIS 91 Cb 0.54 -2.55 1.01 0.00 -0.12 0.00 0.00 29.99 28.87 2fda n HIS 91 CO 0.00 0.00 0.00 0.38 0.46 0.00 0.00 176.34 177.18 2fda h ASP 92 N 5.20 0.00 -0.01 0.26 2.03 -1.94 -1.76 116.42 120.20 2fda h ASP 92 Ca -0.45 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.85 2fda h ASP 92 Cb 1.24 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.74 2fda h ASP 92 CO 0.83 0.00 -0.14 0.00 -1.03 0.00 0.00 179.24 178.90 2fda n GLN 93 N -3.06 1.88 -2.55 4.15 6.02 -1.26 -4.94 117.38 117.63 2fda n GLN 93 Ca -0.02 -1.50 -0.42 0.00 -0.01 0.00 0.00 57.00 55.06 2fda n GLN 93 Cb 0.16 -1.47 -0.03 0.00 1.02 0.00 0.00 30.24 29.91 2fda n GLN 93 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.06 175.58 2fda s TYR 94 N -2.15 3.56 0.00 1.08 5.04 -0.66 -4.87 117.35 119.35 2fda s TYR 94 Ca 0.27 1.52 0.00 0.00 -2.44 0.00 0.00 57.07 56.41 2fda s TYR 94 Cb 0.20 -3.27 0.00 0.00 0.35 0.00 0.00 41.96 39.23 2fda s TYR 94 CO 0.39 -0.66 0.00 1.63 -1.34 0.00 0.00 175.55 175.57 2fda n LYS 95 N 3.49 1.29 -3.60 4.97 4.76 -1.26 -5.00 118.16 122.80 2fda n LYS 95 Ca 0.06 0.00 -0.10 0.00 -2.87 0.00 0.00 58.31 55.40 2fda n LYS 95 Cb 0.48 -0.84 -0.06 0.00 -1.84 0.00 0.00 35.03 32.77 2fda n LYS 95 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2fda s MET 96 N -1.67 0.56 0.22 1.97 0.23 -1.26 -5.02 119.30 114.32 2fda s MET 96 Ca 0.00 0.35 -0.14 0.00 -1.03 0.00 0.00 55.69 54.87 2fda s MET 96 Cb 0.00 0.27 0.27 0.00 -1.53 0.00 0.00 34.83 33.84 2fda s MET 96 CO 0.00 -0.13 1.60 0.00 -2.03 0.00 0.00 175.02 174.46 2fda h ALA 97 N 3.30 0.38 0.00 3.16 0.00 -1.96 0.87 119.26 125.01 2fda h ALA 97 Ca -0.23 0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2fda h ALA 97 Cb 1.17 0.62 0.00 0.00 0.00 0.00 0.00 17.79 19.58 2fda h ALA 97 CO 0.22 -0.47 0.00 0.39 0.00 0.00 0.00 179.25 179.39 2fda n GLU 98 N -5.48 0.02 0.00 0.00 1.02 -1.26 -0.81 120.64 114.13 2fda n GLU 98 Ca 0.09 0.39 0.11 0.00 -0.02 0.00 0.00 57.16 57.72 2fda n GLU 98 Cb 0.38 -1.55 -0.00 0.00 -0.02 0.00 0.00 31.44 30.24 2fda n GLU 98 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 2fda n SER 99 N -1.59 1.43 0.00 1.62 7.64 0.30 -4.77 113.62 118.24 2fda n SER 99 Ca 0.02 -1.17 0.00 0.00 1.01 0.00 0.00 58.87 58.73 2fda n SER 99 Cb 0.10 0.65 0.00 0.00 -1.01 0.00 0.00 64.21 63.95 2fda n SER 99 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2fda n GLY 100 N 1.45 -2.91 2.53 0.23 0.00 0.01 -4.92 105.19 101.58 2fda n GLY 100 Ca 0.07 -1.95 -0.21 0.00 0.00 0.00 0.00 46.02 43.94 2fda n GLY 100 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2fda n TYR 101 N -0.13 -0.29 -2.43 1.61 4.02 -1.26 -4.46 117.16 114.22 2fda n TYR 101 Ca 0.00 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.46 2fda n TYR 101 Cb 0.00 -3.57 0.00 0.00 -0.02 0.00 0.00 39.34 35.75 2fda n TYR 101 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 2fda n ASP 102 N -1.51 4.75 -3.72 7.72 2.03 -1.26 -4.40 116.55 120.15 2fda n ASP 102 Ca -0.22 -2.91 -0.14 0.00 0.52 0.00 0.00 54.79 52.05 2fda n ASP 102 Cb 0.68 -1.72 -0.09 0.00 -0.72 0.00 0.00 41.12 39.27 2fda n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 2fda s ILE 103 N 3.86 0.02 0.02 5.18 2.07 -1.26 -4.15 121.20 126.94 2fda s ILE 103 Ca 0.52 -0.18 -0.22 0.00 -1.41 0.00 0.00 60.65 59.36 2fda s ILE 103 Cb 0.06 -0.65 0.05 0.00 0.13 0.00 0.00 42.46 42.05 2fda s ILE 103 CO 0.04 -0.10 0.49 0.00 -1.91 0.00 0.00 174.94 173.46 2fda s ALA 104 N -0.53 -1.24 -0.04 1.50 0.00 -0.48 -2.63 121.76 118.35 2fda s ALA 104 Ca -0.06 0.60 0.04 0.00 0.00 0.00 0.00 51.96 52.54 2fda s ALA 104 Cb -0.04 0.26 -0.03 0.00 0.00 0.00 0.00 23.12 23.32 2fda s ALA 104 CO 0.03 -0.43 -0.15 -0.51 0.00 0.00 0.00 175.76 174.69 2fda s LEU 105 N -1.75 2.67 -0.26 0.00 1.43 0.46 -1.56 118.68 119.67 2fda s LEU 105 Ca -0.07 -0.23 -0.06 0.00 -1.03 0.00 0.00 54.13 52.74 2fda s LEU 105 Cb -0.01 -1.53 -0.00 0.00 0.03 0.00 0.00 46.19 44.67 2fda s LEU 105 CO 0.01 0.34 0.04 -0.76 0.23 0.00 0.00 176.35 176.21 2fda s LEU 106 N -0.75 3.46 -0.26 1.79 1.43 -0.12 -0.17 118.68 124.05 2fda s LEU 106 Ca 0.11 -0.50 -0.23 0.00 -1.03 0.00 0.00 54.13 52.48 2fda s LEU 106 Cb -0.11 -1.84 -0.01 0.00 0.03 0.00 0.00 46.19 44.26 2fda s LEU 106 CO 0.01 -0.10 0.76 -0.75 0.23 0.00 0.00 176.35 176.50 2fda s LYS 107 N 1.52 4.11 0.43 1.70 2.20 -0.35 -1.53 119.74 127.81 2fda s LYS 107 Ca 0.04 0.75 -0.20 0.00 -0.36 0.00 0.00 55.97 56.20 2fda s LYS 107 Cb -0.16 -3.67 -0.11 0.00 -1.51 0.00 0.00 37.83 32.39 2fda s LYS 107 CO 0.01 -0.53 0.94 -0.51 -0.36 0.00 0.00 175.35 174.90 2fda s LEU 108 N 2.78 3.93 0.39 5.43 1.43 -0.11 0.17 118.68 132.69 2fda s LEU 108 Ca 0.32 1.66 0.17 0.00 -1.03 0.00 0.00 54.13 55.24 2fda s LEU 108 Cb -0.15 -4.51 0.80 0.00 0.03 0.00 0.00 46.19 42.36 2fda s LEU 108 CO 0.09 -0.36 1.82 -0.33 0.23 0.00 0.00 176.35 177.80 2fda h GLU 109 N 1.88 0.00 -4.97 1.70 5.08 -1.26 -3.41 114.58 113.60 2fda h GLU 109 Ca -0.49 0.00 -0.36 0.00 -1.00 0.00 0.00 59.36 57.51 2fda h GLU 109 Cb 1.18 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.29 2fda h GLU 109 CO 0.61 0.35 -0.64 0.95 -1.00 0.00 0.00 179.01 179.29 2fda s THR 110 N -3.97 0.79 0.11 1.13 -4.23 -1.26 -5.01 115.64 103.20 2fda s THR 110 Ca -0.02 -2.01 -0.19 0.00 -1.18 0.00 0.00 61.69 58.30 2fda s THR 110 Cb 0.13 -2.46 -0.07 0.00 1.34 0.00 0.00 72.50 71.44 2fda s THR 110 CO 0.69 -0.19 0.60 0.42 -0.54 0.00 0.00 174.62 175.60 2fda s THR 111 N -3.58 4.71 -0.14 3.99 -4.23 -1.26 -4.75 115.64 110.38 2fda s THR 111 Ca 0.32 1.19 -0.27 0.00 -1.18 0.00 0.00 61.69 61.75 2fda s THR 111 Cb 0.07 -3.89 -0.01 0.00 1.34 0.00 0.00 72.50 70.01 2fda s THR 111 CO 0.10 0.47 0.92 -0.69 -0.54 0.00 0.00 174.62 174.88 2fda s VAL 112 N -1.21 4.83 -0.55 2.29 1.01 0.13 -5.00 120.40 121.90 2fda s VAL 112 Ca 0.32 1.83 -0.26 0.00 0.00 0.00 0.00 61.98 63.88 2fda s VAL 112 Cb -0.19 -4.22 0.04 0.00 0.00 0.00 0.00 36.38 32.01 2fda s VAL 112 CO 0.20 0.02 1.04 0.20 0.00 0.00 0.00 175.10 176.55 2fda s ASN 113 N 1.11 6.40 0.47 3.32 0.01 -1.26 -4.84 114.94 120.14 2fda s ASN 113 Ca 0.43 -0.12 -0.24 0.00 -0.71 0.00 0.00 52.86 52.22 2fda s ASN 113 Cb -0.17 -2.48 -0.08 0.00 0.41 0.00 0.00 41.25 38.92 2fda s ASN 113 CO 0.15 -1.31 1.31 -1.22 -1.51 0.00 0.00 177.10 174.51 2fda n TYR 114 N 7.82 2.21 -3.83 2.20 4.01 -1.26 -4.88 117.16 123.43 2fda n TYR 114 Ca 0.05 0.47 -0.07 0.00 -0.16 0.00 0.00 57.90 58.19 2fda n TYR 114 Cb 0.48 -2.38 0.01 0.00 -0.31 0.00 0.00 39.34 37.15 2fda n TYR 114 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2fda s ALA 115 N -1.24 -1.06 0.61 -0.72 0.00 0.16 -4.96 121.76 114.55 2fda s ALA 115 Ca 0.64 -0.54 0.39 0.00 0.00 0.00 0.00 51.96 52.46 2fda s ALA 115 Cb -0.47 0.71 2.18 0.00 0.00 0.00 0.00 23.12 25.55 2fda s ALA 115 CO 0.55 -1.02 2.31 -0.44 0.00 0.00 0.00 175.76 177.17 2fda h ASP 116 N 2.00 0.00 0.16 0.00 3.32 -1.99 -1.29 116.42 118.61 2fda h ASP 116 Ca -0.29 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.76 2fda h ASP 116 Cb 1.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.79 2fda h ASP 116 CO 0.36 0.01 -1.49 -1.54 -1.72 0.00 0.00 179.24 174.86 2fda n SER 117 N -3.32 0.42 -3.40 6.45 3.41 -1.26 -4.83 113.62 111.10 2fda n SER 117 Ca -0.03 -0.26 -0.12 0.00 -0.26 0.00 0.00 58.87 58.20 2fda n SER 117 Cb 0.09 1.41 -0.10 0.00 -0.26 0.00 0.00 64.21 65.35 2fda n SER 117 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2fda s GLN 118 N -3.32 0.30 0.11 4.33 -2.07 -0.49 -3.72 119.66 114.81 2fda s GLN 118 Ca -0.01 0.43 -0.12 0.00 -1.82 0.00 0.00 55.36 53.83 2fda s GLN 118 Cb 0.14 -0.72 0.02 0.00 -1.09 0.00 0.00 33.01 31.36 2fda s GLN 118 CO 0.87 -0.64 0.30 -0.98 -1.32 0.00 0.00 175.29 173.52 2fda s ARG 119 N 2.47 0.98 0.37 9.60 1.70 -0.97 0.38 118.95 133.48 2fda s ARG 119 Ca 0.11 -0.85 -0.23 0.00 -0.47 0.00 0.00 55.73 54.29 2fda s ARG 119 Cb -0.16 0.41 -0.10 0.00 -0.57 0.00 0.00 34.95 34.53 2fda s ARG 119 CO -0.15 -0.35 0.93 -1.25 -1.08 0.00 0.00 175.30 173.40 2fda s PRO 121 N -3.84 4.37 -0.04 3.89 0.04 -1.26 -2.97 135.00 135.19 2fda s PRO 121 Ca 0.05 1.17 -0.13 0.00 0.04 0.00 0.00 61.00 62.13 2fda s PRO 121 Cb 0.03 -2.48 -0.05 0.00 0.04 0.00 0.00 34.50 32.04 2fda s PRO 121 CO -0.11 0.12 0.34 -1.50 0.04 0.00 0.00 177.00 175.89 2fda s ILE 122 N -1.91 5.16 0.36 0.56 2.07 -0.37 -4.92 121.20 122.16 2fda s ILE 122 Ca 0.56 0.67 -0.27 0.00 -1.41 0.00 0.00 60.65 60.20 2fda s ILE 122 Cb -0.13 -3.63 -0.09 0.00 0.13 0.00 0.00 42.46 38.73 2fda s ILE 122 CO 0.18 0.57 1.29 -0.44 -1.91 0.00 0.00 174.94 174.63 2fda s SER 123 N -0.95 6.59 0.42 4.50 0.01 -1.25 -4.67 113.70 118.35 2fda s SER 123 Ca 0.21 2.63 -0.21 0.00 1.31 0.00 0.00 55.95 59.90 2fda s SER 123 Cb -0.15 -2.64 -0.11 0.00 0.21 0.00 0.00 66.02 63.33 2fda s SER 123 CO 0.11 -0.66 0.94 -0.76 0.41 0.00 0.00 173.24 173.28 2fda s LEU 124 N -2.10 3.94 0.62 2.44 1.43 -1.26 -1.31 118.68 122.44 2fda s LEU 124 Ca 0.53 1.66 -0.17 0.00 -1.03 0.00 0.00 54.13 55.11 2fda s LEU 124 Cb -0.38 -4.51 -0.02 0.00 0.03 0.00 0.00 46.19 41.31 2fda s LEU 124 CO 0.50 -0.35 1.16 -2.16 0.23 0.00 0.00 176.35 175.72 2fda s PRO 125 N -3.18 2.90 0.16 1.29 0.04 -1.26 -4.82 135.00 130.13 2fda s PRO 125 Ca 0.61 1.64 -0.04 0.00 0.04 0.00 0.00 61.00 63.26 2fda s PRO 125 Cb -0.09 -1.94 -0.05 0.00 0.04 0.00 0.00 34.50 32.46 2fda s PRO 125 CO 0.14 -1.22 0.39 -1.54 0.04 0.00 0.00 177.00 174.80 2fda s SER 126 N -1.97 6.46 0.58 6.66 1.04 -1.26 -4.81 113.70 120.40 2fda s SER 126 Ca 0.73 0.55 0.28 0.00 0.48 0.00 0.00 55.95 57.98 2fda s SER 126 Cb -0.26 -2.07 1.63 0.00 0.10 0.00 0.00 66.02 65.42 2fda s SER 126 CO 0.35 0.02 2.10 0.11 0.98 0.00 0.00 173.24 176.80 2fda h LYS 127 N 2.57 0.00 0.00 4.02 1.57 -1.96 0.17 116.57 122.95 2fda h LYS 127 Ca -0.46 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.26 2fda h LYS 127 Cb 1.17 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.47 2fda h LYS 127 CO 0.71 0.00 -0.27 0.78 -0.57 0.00 0.00 179.45 180.11 2fda h GLY 128 N 0.00 0.00 -0.61 3.86 0.00 -2.00 -3.15 103.07 101.17 2fda h GLY 128 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.42 2fda h GLY 128 CO -0.00 0.00 0.00 1.22 0.00 0.00 0.00 176.54 177.76 2fda n ASP 129 N -3.79 0.88 0.00 0.19 10.43 0.61 -3.89 116.55 120.98 2fda n ASP 129 Ca -0.01 -2.00 0.08 0.00 2.57 0.00 0.00 54.79 55.42 2fda n ASP 129 Cb 0.36 -0.12 0.38 0.00 1.84 0.00 0.00 41.12 43.59 2fda n ASP 129 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 2fda n ARG 130 N -0.03 0.20 -0.01 -1.24 1.74 -1.19 -1.49 116.66 114.64 2fda n ARG 130 Ca 0.05 0.15 0.11 0.00 -0.77 0.00 0.00 57.85 57.39 2fda n ARG 130 Cb 0.14 -1.50 -0.16 0.00 -1.02 0.00 0.00 32.46 29.92 2fda n ARG 130 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 2fda n ASN 131 N -1.31 0.22 -4.71 0.55 6.94 -1.25 -4.99 115.26 110.71 2fda n ASN 131 Ca 0.07 -0.21 -0.43 0.00 -0.02 0.00 0.00 54.58 53.99 2fda n ASN 131 Cb 0.13 1.78 -0.01 0.00 -2.36 0.00 0.00 39.78 39.32 2fda n ASN 131 CO 0.00 0.00 0.00 0.52 -1.03 0.00 0.00 177.26 176.75 2fda n VAL 132 N -2.10 1.66 -3.42 3.53 0.31 -0.55 -4.94 118.33 112.82 2fda n VAL 132 Ca -0.02 -0.42 -0.44 0.00 -0.01 0.00 0.00 64.34 63.45 2fda n VAL 132 Cb 0.52 -1.65 -0.04 0.00 -0.91 0.00 0.00 33.84 31.76 2fda n VAL 132 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 2fda s ILE 132 N -0.75 5.15 0.03 2.52 1.01 -1.26 -5.04 121.20 122.86 2fda s ILE 132 Ca 0.59 -2.57 -0.30 0.00 0.00 0.00 0.00 60.65 58.36 2fda s ILE 132 Cb -0.56 -4.21 -0.07 0.00 0.01 0.00 0.00 42.46 37.62 2fda s ILE 132 CO 0.58 -0.99 1.62 -0.31 0.00 0.00 0.00 174.94 175.84 2fda s TYR 133 N 0.14 2.37 -0.73 3.97 2.02 -1.26 -4.86 117.35 118.99 2fda s TYR 133 Ca 0.17 0.36 0.07 0.00 -0.37 0.00 0.00 57.07 57.30 2fda s TYR 133 Cb -0.13 -3.91 0.02 0.00 -0.40 0.00 0.00 41.96 37.54 2fda s TYR 133 CO -0.07 -3.66 0.60 0.25 -1.57 0.00 0.00 175.55 171.10 2fda n THR 134 N 4.90 0.00 -3.54 -0.71 -2.24 -1.26 -4.67 114.28 106.77 2fda n THR 134 Ca 0.16 -0.46 -0.27 0.00 -2.27 0.00 0.00 64.05 61.21 2fda n THR 134 Cb 0.42 1.11 -0.10 0.00 -2.10 0.00 0.00 70.33 69.66 2fda n THR 134 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2fda n ASP 135 N -0.02 1.91 -4.36 3.42 2.03 -1.26 -4.98 116.55 113.28 2fda n ASP 135 Ca 0.03 -2.99 -0.32 0.00 0.52 0.00 0.00 54.79 52.04 2fda n ASP 135 Cb 0.16 -0.67 -0.15 0.00 -0.72 0.00 0.00 41.12 39.74 2fda n ASP 135 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2fda s TRP 137 N -0.48 0.99 -0.08 0.00 0.52 0.74 -1.30 118.94 119.33 2fda s TRP 137 Ca 0.06 -0.21 -0.00 0.00 0.02 0.00 0.00 56.10 55.96 2fda s TRP 137 Cb -0.12 -0.66 -0.03 0.00 -1.15 0.00 0.00 33.47 31.51 2fda s TRP 137 CO 0.01 -0.05 -0.05 0.54 0.02 0.00 0.00 176.95 177.41 2fda s VAL 138 N -0.08 3.81 0.05 4.03 0.11 -0.12 -1.81 120.40 126.39 2fda s VAL 138 Ca 0.01 -0.43 0.02 0.00 -2.93 0.00 0.00 61.98 58.65 2fda s VAL 138 Cb -0.06 -2.58 -0.03 0.00 -1.53 0.00 0.00 36.38 32.18 2fda s VAL 138 CO -0.00 0.58 -0.07 0.42 -3.33 0.00 0.00 175.10 172.70 2fda s THR 139 N -0.63 0.51 0.00 5.04 -4.23 -1.25 -1.38 115.64 113.70 2fda s THR 139 Ca 0.10 -1.15 0.00 0.00 -1.18 0.00 0.00 61.69 59.45 2fda s THR 139 Cb -0.12 -0.69 0.00 0.00 1.34 0.00 0.00 72.50 73.04 2fda s THR 139 CO 0.02 -0.44 0.00 0.61 -0.54 0.00 0.00 174.62 174.27 2fda n GLY 140 N 1.32 0.31 1.56 3.99 0.00 -0.88 -4.59 105.19 106.90 2fda n GLY 140 Ca -0.22 -1.09 0.08 0.00 0.00 0.00 0.00 46.02 44.80 2fda n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2fda n TRP 141 N -0.61 1.57 -0.96 1.61 8.01 -1.26 -1.37 117.44 124.42 2fda n TRP 141 Ca 0.00 -0.68 -0.24 0.00 -1.31 0.00 0.00 57.50 55.27 2fda n TRP 141 Cb 0.00 -0.33 0.20 0.00 -2.01 0.00 0.00 31.31 29.17 2fda n TRP 141 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 2fda n GLY 142 N 0.73 -2.70 3.74 6.99 0.00 -1.26 -0.05 105.19 112.65 2fda n GLY 142 Ca 0.25 -1.49 -0.39 0.00 0.00 0.00 0.00 46.02 44.39 2fda n GLY 142 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2fda n TYR 143 N -4.41 2.31 0.84 1.61 4.02 0.20 -2.95 117.16 118.79 2fda n TYR 143 Ca 0.12 0.44 0.12 0.00 -0.01 0.00 0.00 57.90 58.58 2fda n TYR 143 Cb 0.48 -2.38 0.32 0.00 -0.02 0.00 0.00 39.34 37.73 2fda n TYR 143 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 2fda n ARG 144 N -0.62 0.11 -3.95 -0.72 1.74 -1.26 -0.98 116.66 110.98 2fda n ARG 144 Ca 0.09 0.04 -0.09 0.00 -0.77 0.00 0.00 57.85 57.12 2fda n ARG 144 Cb 0.43 -1.58 -0.03 0.00 -1.02 0.00 0.00 32.46 30.26 2fda n ARG 144 CO 0.00 0.00 0.00 -1.59 -1.52 0.00 0.00 177.63 174.52 2fda s LYS 145 N -3.06 1.73 0.14 5.56 -2.85 -1.26 -4.43 119.74 115.57 2fda s LYS 145 Ca 0.10 -1.25 -0.19 0.00 -1.00 0.00 0.00 55.97 53.63 2fda s LYS 145 Cb 0.16 0.52 0.01 0.00 -2.06 0.00 0.00 37.83 36.47 2fda s LYS 145 CO 0.66 -0.75 1.69 1.25 0.10 0.00 0.00 175.35 178.30 2fda h LEU 146 N 2.14 -0.28 -6.22 2.77 5.85 -1.92 -3.06 115.31 114.59 2fda h LEU 146 Ca -0.25 0.08 -0.74 0.00 0.84 0.00 0.00 57.88 57.81 2fda h LEU 146 Cb 1.25 0.18 -0.32 0.00 0.37 0.00 0.00 40.66 42.13 2fda h LEU 146 CO 0.33 -0.11 0.42 0.54 -0.34 0.00 0.00 178.44 179.29 2fda n ARG 147 N -5.25 4.38 0.00 1.25 1.74 -1.26 -4.97 116.66 112.56 2fda n ARG 147 Ca -0.01 -4.68 0.00 0.00 -0.77 0.00 0.00 57.85 52.39 2fda n ARG 147 Cb 0.17 -2.41 0.00 0.00 -1.02 0.00 0.00 32.46 29.20 2fda n ARG 147 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2fda n ASP 148 N 0.37 0.14 -4.03 0.55 4.64 -1.16 -5.09 116.55 111.96 2fda n ASP 148 Ca 0.36 0.00 -0.10 0.00 -1.38 0.00 0.00 54.79 53.67 2fda n ASP 148 Cb 0.32 0.00 -0.06 0.00 -1.04 0.00 0.00 41.12 40.34 2fda n ASP 148 CO 0.00 0.00 0.00 -1.59 -0.82 0.00 0.00 177.20 174.79 2fda s LYS 149 N 1.93 1.46 0.27 -0.67 -2.85 -1.26 -5.00 119.74 113.62 2fda s LYS 149 Ca 0.00 -1.32 -0.31 0.00 -1.00 0.00 0.00 55.97 53.35 2fda s LYS 149 Cb 0.00 0.43 -0.12 0.00 -2.06 0.00 0.00 37.83 36.08 2fda s LYS 149 CO 0.00 -0.59 1.61 -0.89 0.10 0.00 0.00 175.35 175.58 2fda n ILE 151 N -0.35 0.82 -3.24 3.79 2.08 -1.26 -4.20 119.36 117.00 2fda n ILE 151 Ca -0.01 -0.21 -0.35 0.00 0.56 0.00 0.00 62.75 62.74 2fda n ILE 151 Cb 0.63 -1.93 -0.06 0.00 -0.75 0.00 0.00 39.64 37.53 2fda n ILE 151 CO 0.00 0.00 0.00 -1.10 0.56 0.00 0.00 176.55 176.01 2fda s GLN 152 N -0.19 4.06 -0.00 0.38 -1.52 0.93 -5.00 119.66 118.32 2fda s GLN 152 Ca 0.66 0.63 -0.25 0.00 -1.95 0.00 0.00 55.36 54.45 2fda s GLN 152 Cb -0.51 -2.83 -0.19 0.00 -0.22 0.00 0.00 33.01 29.26 2fda s GLN 152 CO 0.46 0.40 1.34 -0.97 -0.25 0.00 0.00 175.29 176.26 2fda h ASN 153 N 3.26 -0.02 -3.23 5.90 -1.24 -1.93 -3.43 115.58 114.90 2fda h ASN 153 Ca -0.48 -0.39 -0.59 0.00 0.71 0.00 0.00 56.30 55.54 2fda h ASN 153 Cb 1.19 0.00 -0.09 0.00 0.73 0.00 0.00 38.32 40.15 2fda h ASN 153 CO 0.66 0.39 -0.30 -0.89 -1.29 0.00 0.00 177.43 175.99 2fda s THR 154 N -4.59 5.28 0.09 -3.57 2.01 -1.26 -0.10 115.64 113.50 2fda s THR 154 Ca -0.15 0.60 -0.35 0.00 0.31 0.00 0.00 61.69 62.10 2fda s THR 154 Cb 0.02 -3.64 -0.14 0.00 0.01 0.00 0.00 72.50 68.75 2fda s THR 154 CO 0.66 0.42 1.61 -0.11 -0.69 0.00 0.00 174.62 176.51 2fda n LEU 155 N 3.31 2.93 -4.89 4.42 7.94 -0.36 -4.83 117.00 125.51 2fda n LEU 155 Ca -0.12 1.07 -0.25 0.00 -1.11 0.00 0.00 56.01 55.60 2fda n LEU 155 Cb 0.52 -1.37 -0.04 0.00 0.53 0.00 0.00 43.42 43.06 2fda n LEU 155 CO 0.39 -0.36 -0.13 -1.10 -1.11 0.00 0.00 177.39 175.08 2fda s GLN 156 N 1.54 3.23 0.03 1.96 -1.52 -0.47 -0.67 119.66 123.75 2fda s GLN 156 Ca 0.83 -0.74 0.02 0.00 -1.95 0.00 0.00 55.36 53.52 2fda s GLN 156 Cb -0.74 -2.82 -0.02 0.00 -0.22 0.00 0.00 33.01 29.22 2fda s GLN 156 CO 0.43 0.49 -0.07 -1.59 -0.25 0.00 0.00 175.29 174.29 2fda s LYS 157 N -3.35 0.49 -0.12 2.91 -2.85 0.25 -2.08 119.74 115.00 2fda s LYS 157 Ca 0.33 -0.57 -0.07 0.00 -1.00 0.00 0.00 55.97 54.66 2fda s LYS 157 Cb -0.10 -0.33 0.04 0.00 -2.06 0.00 0.00 37.83 35.38 2fda s LYS 157 CO 0.27 0.07 0.29 0.00 0.10 0.00 0.00 175.35 176.07 2fda s ALA 158 N -0.97 -0.69 -0.11 0.59 0.00 -0.48 -0.86 121.76 119.24 2fda s ALA 158 Ca -0.06 1.02 -0.25 0.00 0.00 0.00 0.00 51.96 52.67 2fda s ALA 158 Cb -0.07 -0.63 -0.02 0.00 0.00 0.00 0.00 23.12 22.39 2fda s ALA 158 CO 0.00 -0.19 0.81 0.21 0.00 0.00 0.00 175.76 176.60 2fda s LYS 159 N 0.91 4.38 -0.03 0.00 2.20 -1.26 -0.94 119.74 125.00 2fda s LYS 159 Ca -0.06 1.04 0.01 0.00 -0.36 0.00 0.00 55.97 56.59 2fda s LYS 159 Cb -0.07 -3.52 0.02 0.00 -1.51 0.00 0.00 37.83 32.76 2fda s LYS 159 CO -0.06 -0.16 -0.01 0.42 -0.36 0.00 0.00 175.35 175.18 2fda s ILE 160 N 1.53 0.22 0.34 5.43 1.01 -0.42 -4.99 121.20 124.33 2fda s ILE 160 Ca 0.40 0.04 -0.26 0.00 0.00 0.00 0.00 60.65 60.83 2fda s ILE 160 Cb -0.18 -0.29 -0.09 0.00 0.01 0.00 0.00 42.46 41.91 2fda s ILE 160 CO 0.17 0.14 1.06 -2.16 0.00 0.00 0.00 174.94 174.15 2fda s PRO 161 N 0.89 4.40 0.48 2.79 0.04 -1.26 -4.41 135.00 137.93 2fda s PRO 161 Ca -0.09 1.61 -0.21 0.00 0.04 0.00 0.00 61.00 62.35 2fda s PRO 161 Cb -0.13 -2.83 -0.07 0.00 0.04 0.00 0.00 34.50 31.51 2fda s PRO 161 CO -0.01 0.04 1.11 -0.51 0.04 0.00 0.00 177.00 177.67 2fda s LEU 162 N -2.09 3.91 0.04 -3.56 1.02 -1.26 -1.59 118.68 115.15 2fda s LEU 162 Ca 0.52 2.15 0.09 0.00 0.02 0.00 0.00 54.13 56.90 2fda s LEU 162 Cb -0.26 -4.41 -0.03 0.00 0.02 0.00 0.00 46.19 41.51 2fda s LEU 162 CO 0.33 -0.93 -0.25 0.68 0.02 0.00 0.00 176.35 176.20 2fda s VAL 163 N -1.72 2.03 0.69 -1.59 -7.23 -0.68 -4.87 120.40 107.03 2fda s VAL 163 Ca 0.67 -1.34 -0.17 0.00 -1.81 0.00 0.00 61.98 59.32 2fda s VAL 163 Cb -0.24 -1.74 0.01 0.00 0.56 0.00 0.00 36.38 34.97 2fda s VAL 163 CO 0.28 0.33 1.21 0.35 -0.31 0.00 0.00 175.10 176.96 2fda n THR 164 N 1.80 4.00 -0.27 5.32 -2.24 -1.26 -4.27 114.28 117.36 2fda n THR 164 Ca -0.17 -0.42 0.01 0.00 -2.27 0.00 0.00 64.05 61.20 2fda n THR 164 Cb 0.52 -1.36 0.22 0.00 -2.10 0.00 0.00 70.33 67.62 2fda n THR 164 CO 0.00 0.00 0.00 -1.13 -0.57 0.00 0.00 175.07 173.37 2fda h ASN 165 N 0.12 0.92 -0.74 3.42 -0.73 -1.95 -0.11 115.58 116.52 2fda h ASN 165 Ca -0.49 -0.02 -0.01 0.00 1.87 0.00 0.00 56.30 57.65 2fda h ASN 165 Cb 1.33 -0.22 -0.04 0.00 0.27 0.00 0.00 38.32 39.67 2fda h ASN 165 CO 0.51 0.65 0.41 -0.33 -0.37 0.00 0.00 177.43 178.30 2fda h GLU 166 N 1.08 1.03 -0.50 6.67 5.08 -1.93 0.69 114.58 126.69 2fda h GLU 166 Ca 0.32 -0.12 -0.05 0.00 -1.00 0.00 0.00 59.36 58.51 2fda h GLU 166 Cb -0.03 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.00 2fda h GLU 166 CO -0.09 0.76 0.11 1.49 -1.00 0.00 0.00 179.01 180.28 2fda h GLU 167 N 1.03 0.82 -0.50 2.33 4.57 -1.74 -2.85 114.58 118.23 2fda h GLU 167 Ca 0.26 -0.21 -0.02 0.00 -1.18 0.00 0.00 59.36 58.21 2fda h GLU 167 Cb 0.02 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 28.49 2fda h GLU 167 CO -0.04 0.80 0.23 0.00 -1.18 0.00 0.00 179.01 178.81 2fda h GLN 169 N 0.67 0.63 -0.12 0.00 5.75 -0.81 0.68 115.11 121.91 2fda h GLN 169 Ca 0.17 -0.04 -0.02 0.00 -0.15 0.00 0.00 58.65 58.61 2fda h GLN 169 Cb 0.15 -0.14 -0.01 0.00 1.07 0.00 0.00 27.48 28.55 2fda h GLN 169 CO -0.02 0.42 -0.03 0.87 -2.65 0.00 0.00 178.83 177.42 2fda h LYS 170 N 0.65 0.17 -0.00 1.69 1.57 -1.21 -2.36 116.57 117.08 2fda h LYS 170 Ca 0.30 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.06 2fda h LYS 170 Cb 0.33 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.61 2fda h LYS 170 CO -0.10 0.22 -0.34 0.54 -0.57 0.00 0.00 179.45 179.20 2fda n ARG 171 N -4.40 0.26 -3.17 3.15 5.12 0.19 -4.22 116.66 113.58 2fda n ARG 171 Ca -0.01 -0.13 -0.21 0.00 -1.93 0.00 0.00 57.85 55.56 2fda n ARG 171 Cb 0.17 -1.50 -0.05 0.00 -1.16 0.00 0.00 32.46 29.93 2fda n ARG 171 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 2fda n TYR 172 N -1.25 0.79 0.31 -1.55 4.02 -0.90 -4.87 117.16 113.70 2fda n TYR 172 Ca 0.08 -3.80 0.20 0.00 -0.01 0.00 0.00 57.90 54.37 2fda n TYR 172 Cb 0.33 -0.42 0.95 0.00 -0.02 0.00 0.00 39.34 40.19 2fda n TYR 172 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2fda h ARG 173 N 3.34 0.00 -0.00 -0.72 3.08 -1.71 -0.47 114.38 117.90 2fda h ARG 173 Ca 0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.15 2fda h ARG 173 Cb 0.86 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.91 2fda h ARG 173 CO 0.56 0.01 -0.06 0.41 -1.07 0.00 0.00 179.97 179.82 2fda n GLY 173 N -0.58 -1.32 3.79 0.04 0.00 -1.26 -4.90 105.19 100.96 2fda n GLY 173 Ca -0.01 -0.16 -0.31 0.00 0.00 0.00 0.00 46.02 45.54 2fda n GLY 173 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2fda s HIS 174 N -2.76 1.85 -0.30 1.61 3.76 -0.19 -5.12 115.29 114.15 2fda s HIS 174 Ca 0.21 -0.90 0.03 0.00 -0.15 0.00 0.00 55.06 54.25 2fda s HIS 174 Cb 0.20 -1.71 0.08 0.00 1.11 0.00 0.00 32.58 32.26 2fda s HIS 174 CO 0.51 0.06 -0.02 0.21 -0.85 0.00 0.00 174.74 174.65 2fda s LYS 175 N -3.98 1.78 -0.65 1.40 2.20 -1.26 -4.97 119.74 114.25 2fda s LYS 175 Ca 0.15 -1.58 -0.25 0.00 -0.36 0.00 0.00 55.97 53.93 2fda s LYS 175 Cb 0.01 -3.00 0.05 0.00 -1.51 0.00 0.00 37.83 33.38 2fda s LYS 175 CO 0.09 -0.77 1.07 0.42 -0.36 0.00 0.00 175.35 175.79 2fda s ILE 176 N 1.04 4.14 0.65 5.43 -1.09 -1.26 -4.98 121.20 125.12 2fda s ILE 176 Ca 0.02 0.08 -0.05 0.00 -2.23 0.00 0.00 60.65 58.46 2fda s ILE 176 Cb -0.19 -4.73 0.04 0.00 -1.58 0.00 0.00 42.46 36.00 2fda s ILE 176 CO -0.07 -1.50 0.94 0.42 -1.23 0.00 0.00 174.94 173.51 2fda s THR 177 N 4.58 2.80 -1.40 2.92 -4.23 -1.26 -4.91 115.64 114.13 2fda s THR 177 Ca 0.29 -0.23 0.14 0.00 -1.18 0.00 0.00 61.69 60.71 2fda s THR 177 Cb -0.13 -3.16 0.23 0.00 1.34 0.00 0.00 72.50 70.79 2fda s THR 177 CO 0.14 -0.16 1.37 0.00 -0.54 0.00 0.00 174.62 175.44 2fda n HIS 178 N -2.73 0.00 1.52 3.99 1.44 -1.26 -0.94 115.22 117.23 2fda n HIS 178 Ca 0.07 0.00 0.12 0.00 -2.01 0.00 0.00 57.72 55.90 2fda n HIS 178 Cb 0.59 -0.30 0.52 0.00 0.12 0.00 0.00 29.99 30.93 2fda n HIS 178 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 2fda n LYS 179 N -1.30 1.53 -4.37 -1.40 5.02 -1.26 -4.84 118.16 111.53 2fda n LYS 179 Ca 0.06 -0.78 -0.24 0.00 -2.02 0.00 0.00 58.31 55.34 2fda n LYS 179 Cb 0.11 -1.42 -0.09 0.00 -0.02 0.00 0.00 35.03 33.61 2fda n LYS 179 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 2fda s MET 180 N -1.92 1.99 -0.04 1.97 -1.94 -0.12 -1.11 119.30 118.13 2fda s MET 180 Ca 0.36 -1.55 -0.03 0.00 -1.71 0.00 0.00 55.69 52.76 2fda s MET 180 Cb 0.19 -1.99 0.02 0.00 2.01 0.00 0.00 34.83 35.05 2fda s MET 180 CO 0.30 0.36 0.11 -1.50 -0.01 0.00 0.00 175.02 174.28 2fda s ILE 181 N -2.30 -0.01 0.24 2.53 2.07 0.26 -4.65 121.20 119.33 2fda s ILE 181 Ca 0.30 0.05 0.10 0.00 -1.41 0.00 0.00 60.65 59.69 2fda s ILE 181 Cb -0.06 -0.17 -0.04 0.00 0.13 0.00 0.00 42.46 42.31 2fda s ILE 181 CO 0.17 0.02 -0.12 0.00 -1.91 0.00 0.00 174.94 173.10 2fda s ALA 183 N -2.11 -1.31 0.00 0.00 0.00 -0.63 -1.68 121.76 116.03 2fda s ALA 183 Ca 0.28 1.46 0.00 0.00 0.00 0.00 0.00 51.96 53.70 2fda s ALA 183 Cb -0.07 -0.83 0.00 0.00 0.00 0.00 0.00 23.12 22.22 2fda s ALA 183 CO 0.16 -0.25 0.00 0.41 0.00 0.00 0.00 175.76 176.07 2fda n GLY 184 N 2.72 2.21 3.83 0.00 0.00 -0.62 -0.83 105.19 112.49 2fda n GLY 184 Ca -0.14 -0.94 -0.38 0.00 0.00 0.00 0.00 46.02 44.56 2fda n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2fda s TYR 184 N -2.00 3.73 0.32 1.61 2.02 -1.26 -4.58 117.35 117.19 2fda s TYR 184 Ca 0.00 1.01 0.11 0.00 -0.37 0.00 0.00 57.07 57.81 2fda s TYR 184 Cb 0.00 -2.30 0.93 0.00 -0.40 0.00 0.00 41.96 40.19 2fda s TYR 184 CO 0.00 0.63 1.71 -0.09 -1.57 0.00 0.00 175.55 176.23 2fda h ARG 185 N 4.73 0.49 -0.01 -0.62 9.65 -1.99 0.57 114.38 127.20 2fda h ARG 185 Ca -0.51 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.34 2fda h ARG 185 Cb 1.22 -0.11 0.00 0.00 -1.39 0.00 0.00 29.97 29.69 2fda h ARG 185 CO 0.62 0.33 -0.02 -0.85 2.80 0.00 0.00 179.97 182.84 2fda n GLU 186 N -4.94 1.62 0.00 0.20 0.00 -1.26 -0.83 120.64 115.43 2fda n GLU 186 Ca 0.28 -0.95 0.00 0.00 0.00 0.00 0.00 57.16 56.49 2fda n GLU 186 Cb 0.80 -1.48 0.00 0.00 0.00 0.00 0.00 31.44 30.76 2fda n GLU 186 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2fda n GLY 187 N 1.19 -0.36 0.00 -1.84 0.00 0.20 -4.19 105.19 100.19 2fda n GLY 187 Ca 0.18 -1.07 0.00 0.00 0.00 0.00 0.00 46.02 45.13 2fda n GLY 187 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2fda n GLY 188 N 0.00 2.82 3.01 -0.02 0.00 0.14 -4.66 105.19 106.48 2fda n GLY 188 Ca 0.00 -0.55 -0.24 0.00 0.00 0.00 0.00 46.02 45.24 2fda n GLY 188 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2fda s LYS 188 N 0.00 1.52 -0.10 1.61 1.02 -1.26 -3.62 119.74 118.91 2fda s LYS 188 Ca 0.00 -0.38 -0.32 0.00 0.02 0.00 0.00 55.97 55.29 2fda s LYS 188 Cb 0.00 -1.29 0.12 0.00 -0.52 0.00 0.00 37.83 36.14 2fda s LYS 188 CO 0.00 0.04 1.16 0.34 -0.92 0.00 0.00 175.35 175.97 2fda s ASP 189 N 0.61 -0.16 0.83 2.83 2.15 -0.96 -4.48 116.67 117.49 2fda s ASP 189 Ca -0.13 -0.06 -0.12 0.00 0.43 0.00 0.00 52.55 52.68 2fda s ASP 189 Cb -0.15 0.21 0.09 0.00 -0.30 0.00 0.00 42.92 42.77 2fda s ASP 189 CO 0.03 -0.35 1.11 0.00 -0.17 0.00 0.00 175.17 175.79 2fda s ALA 190 N -2.58 2.11 0.00 3.66 0.00 -1.26 -0.07 121.76 123.62 2fda s ALA 190 Ca 0.10 -0.32 0.00 0.00 0.00 0.00 0.00 51.96 51.74 2fda s ALA 190 Cb 0.00 -3.08 0.00 0.00 0.00 0.00 0.00 23.12 20.04 2fda s ALA 190 CO -0.05 -1.90 0.00 0.00 0.00 0.00 0.00 175.76 173.81 2fda s LYS 192 N -1.61 4.13 0.00 0.00 2.20 -1.26 -1.36 119.74 121.84 2fda s LYS 192 Ca 0.00 2.59 0.00 0.00 -0.36 0.00 0.00 55.97 58.20 2fda s LYS 192 Cb 0.00 -3.27 0.00 0.00 -1.51 0.00 0.00 37.83 33.05 2fda s LYS 192 CO 0.00 -0.78 0.00 0.41 -0.36 0.00 0.00 175.35 174.62 2fda n GLY 193 N 4.06 2.52 0.09 5.54 0.00 -1.26 0.61 105.19 116.75 2fda n GLY 193 Ca 0.16 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.31 2fda n GLY 193 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2fda h ASP 194 N 0.00 0.00 -1.33 1.61 3.32 -1.56 -3.36 116.42 115.11 2fda h ASP 194 Ca 0.00 -0.14 -0.67 0.00 0.02 0.00 0.00 57.03 56.23 2fda h ASP 194 Cb 0.00 0.00 0.10 0.00 0.22 0.00 0.00 39.33 39.65 2fda h ASP 194 CO 0.00 0.07 -0.27 -1.20 -1.72 0.00 0.00 179.24 176.12 2fda n SER 195 N -2.25 -0.43 0.00 6.45 7.64 -1.26 -0.36 113.62 123.41 2fda n SER 195 Ca 0.03 1.14 0.00 0.00 1.01 0.00 0.00 58.87 61.06 2fda n SER 195 Cb 0.45 -1.03 0.00 0.00 -1.01 0.00 0.00 64.21 62.63 2fda n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2fda n GLY 196 N 1.81 2.57 3.76 0.23 0.00 -0.26 0.77 105.19 114.07 2fda n GLY 196 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 2fda n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2fda s GLY 197 N -1.82 1.76 0.29 -0.02 0.00 0.52 -2.88 107.32 105.17 2fda s GLY 197 Ca 0.00 0.34 -0.18 0.00 0.00 0.00 0.00 44.72 44.88 2fda s GLY 197 CO 0.00 0.70 0.77 2.56 0.00 0.00 0.00 173.10 177.12 2fda s PRO 198 N -4.74 4.18 -0.81 2.90 0.04 -1.26 -0.62 135.00 134.68 2fda s PRO 198 Ca 0.63 0.85 -0.06 0.00 0.04 0.00 0.00 61.00 62.46 2fda s PRO 198 Cb -0.18 -2.63 0.21 0.00 0.04 0.00 0.00 34.50 31.93 2fda s PRO 198 CO 0.54 0.25 0.70 -1.17 0.04 0.00 0.00 177.00 177.35 2fda s LEU 198 N -2.49 5.80 0.11 -3.56 2.96 0.12 -3.97 118.68 117.65 2fda s LEU 198 Ca 0.50 -3.18 -0.29 0.00 -0.22 0.00 0.00 54.13 50.94 2fda s LEU 198 Cb -0.14 -1.99 -0.06 0.00 0.50 0.00 0.00 46.19 44.50 2fda s LEU 198 CO 0.19 -0.35 0.91 -0.44 -1.32 0.00 0.00 176.35 175.34 2fda s SER 198 N 0.81 7.44 -0.10 3.68 0.01 -0.75 -2.32 113.70 122.47 2fda s SER 198 Ca 0.22 1.72 0.00 0.00 1.31 0.00 0.00 55.95 59.20 2fda s SER 198 Cb -0.13 -2.56 0.02 0.00 0.21 0.00 0.00 66.02 63.57 2fda s SER 198 CO -0.08 -0.01 -0.08 0.00 0.41 0.00 0.00 173.24 173.48 2fda s LYS 202 N 1.52 3.75 -0.18 0.00 2.20 0.39 -1.74 119.74 125.68 2fda s LYS 202 Ca 0.01 0.54 -0.00 0.00 -0.36 0.00 0.00 55.97 56.16 2fda s LYS 202 Cb -0.13 -3.86 0.04 0.00 -1.51 0.00 0.00 37.83 32.37 2fda s LYS 202 CO -0.06 -1.17 -0.07 -1.58 -0.36 0.00 0.00 175.35 172.11 2fda s HIS 202 N 3.94 1.92 -1.03 4.03 2.46 0.78 -4.44 115.29 122.95 2fda s HIS 202 Ca 0.43 -1.25 -0.05 0.00 0.47 0.00 0.00 55.06 54.65 2fda s HIS 202 Cb -0.10 -1.41 0.01 0.00 -0.13 0.00 0.00 32.58 30.95 2fda s HIS 202 CO 0.25 -0.66 0.89 0.09 -2.47 0.00 0.00 174.74 172.84 2fda n ASN 202 N 4.82 -4.62 -0.41 9.88 5.03 -1.26 -2.55 115.26 126.15 2fda n ASN 202 Ca -0.13 -0.44 -0.05 0.00 0.87 0.00 0.00 54.58 54.84 2fda n ASN 202 Cb 0.47 -4.05 -0.02 0.00 -1.02 0.00 0.00 39.78 35.16 2fda n ASN 202 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 2fda n GLU 202 N -3.88 -0.76 -4.35 3.52 -0.58 -1.26 -4.98 120.64 108.35 2fda n GLU 202 Ca -0.05 0.57 -0.24 0.00 -0.42 0.00 0.00 57.16 57.02 2fda n GLU 202 Cb 0.57 -4.37 -0.17 0.00 -0.57 0.00 0.00 31.44 26.91 2fda n GLU 202 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 2fda s VAL 202 N -2.00 0.95 0.03 2.62 1.01 -1.06 -5.12 120.40 116.83 2fda s VAL 202 Ca 0.00 -0.35 -0.29 0.00 0.00 0.00 0.00 61.98 61.34 2fda s VAL 202 Cb 0.00 -0.91 -0.04 0.00 0.00 0.00 0.00 36.38 35.43 2fda s VAL 202 CO 0.00 0.32 0.95 0.26 0.00 0.00 0.00 175.10 176.64 2fda s TRP 203 N 0.93 3.70 0.02 5.22 0.52 -1.26 -0.16 118.94 127.90 2fda s TRP 203 Ca -0.10 1.69 0.08 0.00 0.02 0.00 0.00 56.10 57.79 2fda s TRP 203 Cb -0.15 -3.08 -0.02 0.00 -1.15 0.00 0.00 33.47 29.07 2fda s TRP 203 CO 0.01 0.06 -0.24 -1.01 0.02 0.00 0.00 176.95 175.79 2fda s HIS 204 N 0.70 2.11 -1.04 -1.98 3.76 -0.71 -3.84 115.29 114.28 2fda s HIS 204 Ca 0.49 -0.40 -0.20 0.00 -0.15 0.00 0.00 55.06 54.81 2fda s HIS 204 Cb -0.21 -1.30 0.10 0.00 1.11 0.00 0.00 32.58 32.27 2fda s HIS 204 CO 0.28 0.05 1.36 -1.17 -0.85 0.00 0.00 174.74 174.40 2fda s LEU 209 N -0.92 4.31 0.01 0.89 2.96 -0.43 -1.26 118.68 124.24 2fda s LEU 209 Ca 0.10 -1.97 -0.18 0.00 -0.22 0.00 0.00 54.13 51.85 2fda s LEU 209 Cb -0.09 -2.49 -0.30 0.00 0.50 0.00 0.00 46.19 43.81 2fda s LEU 209 CO 0.01 -1.21 1.02 0.58 -1.32 0.00 0.00 176.35 175.42 2fda h VAL 210 N 6.05 1.39 -4.32 1.68 2.07 -1.80 -3.38 116.25 117.95 2fda h VAL 210 Ca 0.23 -2.44 -0.22 0.00 0.82 0.00 0.00 66.70 65.09 2fda h VAL 210 Cb 0.98 2.90 -0.15 0.00 -1.52 0.00 0.00 31.29 33.50 2fda h VAL 210 CO 1.29 0.72 -0.64 -0.83 0.02 0.00 0.00 177.57 178.12 2fda s GLY 211 N -4.38 1.13 -0.13 2.17 0.00 -1.16 -1.28 107.32 103.66 2fda s GLY 211 Ca -0.12 -1.54 0.02 0.00 0.00 0.00 0.00 44.72 43.08 2fda s GLY 211 CO 0.88 -1.41 -0.20 -0.42 0.00 0.00 0.00 173.10 171.96 2fda s ILE 212 N -3.99 1.87 0.04 0.90 1.01 -0.90 0.16 121.20 120.29 2fda s ILE 212 Ca 0.27 -0.86 -0.34 0.00 0.00 0.00 0.00 60.65 59.71 2fda s ILE 212 Cb 0.07 -1.67 -0.13 0.00 0.01 0.00 0.00 42.46 40.73 2fda s ILE 212 CO 0.04 0.51 1.68 0.41 0.00 0.00 0.00 174.94 177.59 2fda n THR 213 N 4.18 0.23 0.00 2.92 -1.04 0.21 -1.10 114.28 119.68 2fda n THR 213 Ca -0.20 -0.04 0.00 0.00 -2.04 0.00 0.00 64.05 61.77 2fda n THR 213 Cb 0.51 -1.60 0.00 0.00 -1.82 0.00 0.00 70.33 67.42 2fda n THR 213 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 2fda n SER 214 N 4.65 0.00 -3.45 8.00 2.88 -0.98 -1.10 113.62 123.63 2fda n SER 214 Ca 0.20 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.63 2fda n SER 214 Cb 0.28 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.72 2fda n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 2fda s TRP 215 N -0.92 0.39 -0.05 0.66 1.48 -0.94 -4.90 118.94 114.66 2fda s TRP 215 Ca 0.00 -0.83 -0.31 0.00 -1.06 0.00 0.00 56.10 53.90 2fda s TRP 215 Cb 0.00 0.40 0.12 0.00 -1.16 0.00 0.00 33.47 32.83 2fda s TRP 215 CO 0.00 -1.25 1.27 0.20 -4.06 0.00 0.00 176.95 173.11 2fda s GLY 216 N -3.08 -0.39 -0.56 3.67 0.00 -1.26 -0.73 107.32 104.97 2fda s GLY 216 Ca 0.21 0.86 -0.25 0.00 0.00 0.00 0.00 44.72 45.54 2fda s GLY 216 CO 0.12 0.20 0.98 1.85 0.00 0.00 0.00 173.10 176.25 2fda s GLU 217 N -2.44 3.34 3.28 2.90 2.56 -1.26 -4.87 118.70 122.21 2fda s GLU 217 Ca 0.13 -0.23 0.00 0.00 0.00 0.00 0.00 54.97 54.87 2fda s GLU 217 Cb 0.04 -4.06 0.00 0.00 2.00 0.00 0.00 34.13 32.11 2fda s GLU 217 CO -0.04 -1.54 0.00 0.41 -0.56 0.00 0.00 175.26 173.53 2fda n GLY 218 N 5.13 0.36 2.74 -1.50 0.00 -1.26 -4.69 105.19 105.97 2fda n GLY 218 Ca 0.02 -0.86 -0.17 0.00 0.00 0.00 0.00 46.02 45.01 2fda n GLY 218 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fda n ALA 220 N 4.70 -0.13 -1.78 0.00 0.00 -1.26 -4.90 120.51 117.15 2fda n ALA 220 Ca -0.17 0.13 -0.35 0.00 0.00 0.00 0.00 53.44 53.06 2fda n ALA 220 Cb 0.50 -1.29 -0.01 0.00 0.00 0.00 0.00 19.45 18.65 2fda n ALA 220 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2fda s GLN 221 N -2.43 3.61 0.35 0.00 -0.21 -1.26 -0.69 119.66 119.05 2fda s GLN 221 Ca 0.00 1.56 -0.28 0.00 0.02 0.00 0.00 55.36 56.66 2fda s GLN 221 Cb 0.00 -2.14 -0.10 0.00 1.00 0.00 0.00 33.01 31.77 2fda s GLN 221 CO 0.00 -0.62 1.34 -0.98 -2.12 0.00 0.00 175.29 172.91 2fda s ARG 222 N -3.11 4.24 -1.76 2.91 1.70 -1.26 -2.43 118.95 119.25 2fda s ARG 222 Ca 0.68 2.27 0.00 0.00 -0.47 0.00 0.00 55.73 58.22 2fda s ARG 222 Cb -0.22 -2.99 0.00 0.00 -0.57 0.00 0.00 34.95 31.16 2fda s ARG 222 CO 0.26 -0.31 0.00 0.39 -1.08 0.00 0.00 175.30 174.56 2fda n GLU 223 N 0.61 -1.37 -3.26 3.89 1.02 -0.01 -4.90 120.64 116.62 2fda n GLU 223 Ca 0.01 1.02 -0.25 0.00 -0.02 0.00 0.00 57.16 57.92 2fda n GLU 223 Cb 0.42 -5.42 -0.08 0.00 -0.02 0.00 0.00 31.44 26.34 2fda n GLU 223 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2fda n ARG 224 N -2.61 0.69 -1.77 3.49 5.12 -1.02 -4.72 116.66 115.84 2fda n ARG 224 Ca -0.20 -3.30 -0.35 0.00 -1.93 0.00 0.00 57.85 52.07 2fda n ARG 224 Cb 0.63 -1.40 0.06 0.00 -1.16 0.00 0.00 32.46 30.59 2fda n ARG 224 CO 0.00 0.00 0.00 -2.14 -1.93 0.00 0.00 177.63 173.56 2fda s PRO 225 N -0.94 2.65 0.45 5.56 0.02 -1.26 -4.44 135.00 137.04 2fda s PRO 225 Ca 0.35 1.74 -0.23 0.00 0.02 0.00 0.00 61.00 62.87 2fda s PRO 225 Cb 0.13 -1.90 -0.08 0.00 0.02 0.00 0.00 34.50 32.68 2fda s PRO 225 CO -0.13 -1.44 1.14 0.20 -0.33 0.00 0.00 177.00 176.44 2fda s GLY 226 N -1.90 2.76 -0.14 0.52 0.00 -0.01 -4.75 107.32 103.80 2fda s GLY 226 Ca 0.75 0.88 -0.03 0.00 0.00 0.00 0.00 44.72 46.31 2fda s GLY 226 CO 0.39 1.33 -0.02 0.14 0.00 0.00 0.00 173.10 174.93 2fda s VAL 227 N -1.58 4.07 0.11 1.40 1.01 0.10 -1.61 120.40 123.89 2fda s VAL 227 Ca 0.62 -0.31 0.07 0.00 0.00 0.00 0.00 61.98 62.37 2fda s VAL 227 Cb -0.27 -2.77 -0.04 0.00 0.00 0.00 0.00 36.38 33.31 2fda s VAL 227 CO 0.33 0.52 -0.18 -0.31 0.00 0.00 0.00 175.10 175.46 2fda s TYR 228 N 0.06 1.60 0.15 5.22 1.51 0.13 -2.20 117.35 123.82 2fda s TYR 228 Ca 0.01 -0.46 -0.30 0.00 -1.01 0.00 0.00 57.07 55.31 2fda s TYR 228 Cb -0.13 -0.86 -0.08 0.00 -0.11 0.00 0.00 41.96 40.78 2fda s TYR 228 CO 0.02 0.18 1.31 0.99 -1.11 0.00 0.00 175.55 176.95 2fda s THR 229 N -1.50 3.37 -0.83 -0.71 2.01 -0.26 -0.57 115.64 117.15 2fda s THR 229 Ca 0.06 1.06 -0.23 0.00 0.31 0.00 0.00 61.69 62.90 2fda s THR 229 Cb -0.08 -3.68 0.07 0.00 0.01 0.00 0.00 72.50 68.82 2fda s THR 229 CO 0.04 0.13 1.20 0.21 -0.69 0.00 0.00 174.62 175.50 2fda s ASN 230 N 0.65 6.35 0.25 3.53 2.47 -0.27 -2.12 114.94 125.82 2fda s ASN 230 Ca 0.59 -1.22 -0.05 0.00 0.42 0.00 0.00 52.86 52.60 2fda s ASN 230 Cb -0.35 -2.48 0.29 0.00 -1.45 0.00 0.00 41.25 37.26 2fda s ASN 230 CO 0.34 -1.47 1.92 0.58 -3.72 0.00 0.00 177.10 174.75 2fda h VAL 231 N 6.16 1.21 -0.33 -5.21 2.07 -1.45 -1.32 116.25 117.40 2fda h VAL 231 Ca -0.06 -0.45 0.09 0.00 0.82 0.00 0.00 66.70 67.10 2fda h VAL 231 Cb 1.04 -0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 30.59 2fda h VAL 231 CO 1.25 0.24 0.36 1.62 0.02 0.00 0.00 177.57 181.06 2fda h VAL 232 N 1.31 0.39 0.00 2.57 3.04 -1.83 0.51 116.25 122.24 2fda h VAL 232 Ca 0.38 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 66.07 2fda h VAL 232 Cb -0.07 0.71 0.00 0.00 -2.01 0.00 0.00 31.29 29.91 2fda h VAL 232 CO -0.10 0.00 0.00 -0.62 -1.01 0.00 0.00 177.57 175.84 2fda n GLU 233 N -3.72 0.73 -0.07 4.17 -0.58 -0.50 -3.44 120.64 117.23 2fda n GLU 233 Ca 0.05 0.01 0.03 0.00 -0.42 0.00 0.00 57.16 56.83 2fda n GLU 233 Cb 0.52 -1.50 0.04 0.00 -0.57 0.00 0.00 31.44 29.93 2fda n GLU 233 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 2fda n TYR 234 N -1.09 0.00 -0.27 -0.32 4.01 0.18 -4.78 117.16 114.89 2fda n TYR 234 Ca 0.18 -0.49 -0.04 0.00 -0.16 0.00 0.00 57.90 57.39 2fda n TYR 234 Cb 0.13 -0.07 0.07 0.00 -0.31 0.00 0.00 39.34 39.16 2fda n TYR 234 CO 0.00 0.00 0.00 -0.39 -0.46 0.00 0.00 176.86 176.01 2fda h VAL 235 N 1.25 1.17 -0.49 -0.72 -1.51 -1.58 0.13 116.25 114.51 2fda h VAL 235 Ca 0.00 -0.34 -0.07 0.00 -1.23 0.00 0.00 66.70 65.06 2fda h VAL 235 Cb 0.81 0.10 -0.02 0.00 -2.13 0.00 0.00 31.29 30.05 2fda h VAL 235 CO 0.00 0.18 0.03 0.44 -1.23 0.00 0.00 177.57 176.99 2fda h ASP 236 N 0.98 0.83 -0.51 4.19 3.45 -1.87 -1.58 116.42 121.92 2fda h ASP 236 Ca 0.28 -0.29 -0.01 0.00 0.43 0.00 0.00 57.03 57.44 2fda h ASP 236 Cb -0.08 -0.22 -0.02 0.00 -0.56 0.00 0.00 39.33 38.44 2fda h ASP 236 CO -0.07 0.91 0.29 -0.25 -1.57 0.00 0.00 179.24 178.55 2fda h TRP 237 N 0.71 0.68 -0.81 4.55 7.01 -1.76 -1.62 115.95 124.72 2fda h TRP 237 Ca 0.14 -0.01 -0.02 0.00 2.11 0.00 0.00 58.89 61.11 2fda h TRP 237 Cb 0.47 -0.22 -0.04 0.00 -2.10 0.00 0.00 29.16 27.27 2fda h TRP 237 CO 0.04 0.49 0.41 0.82 -2.79 0.00 0.00 178.44 177.41 2fda h ILE 238 N 0.67 1.25 -0.14 2.65 2.04 -0.61 -1.77 117.51 121.61 2fda h ILE 238 Ca 0.18 -0.66 -0.08 0.00 1.00 0.00 0.00 64.86 65.30 2fda h ILE 238 Cb 0.02 0.20 -0.01 0.00 -0.74 0.00 0.00 36.82 36.28 2fda h ILE 238 CO -0.03 0.29 -0.26 0.25 0.00 0.00 0.00 178.15 178.40 2fda h LEU 239 N 1.14 0.24 -0.14 1.44 5.85 -1.00 -0.58 115.31 122.25 2fda h LEU 239 Ca 0.28 -0.07 -0.22 0.00 0.84 0.00 0.00 57.88 58.71 2fda h LEU 239 Cb 0.08 -0.07 0.01 0.00 0.37 0.00 0.00 40.66 41.06 2fda h LEU 239 CO -0.04 0.51 -0.76 -0.08 -0.34 0.00 0.00 178.44 177.73 2fda h GLU 240 N 0.22 0.76 0.00 1.25 4.81 -0.78 -2.85 114.58 117.99 2fda h GLU 240 Ca 0.04 -0.63 -0.04 0.00 -0.13 0.00 0.00 59.36 58.59 2fda h GLU 240 Cb 0.58 0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.09 2fda h GLU 240 CO 0.04 1.24 -0.38 0.87 -0.73 0.00 0.00 179.01 180.05 2fda h LYS 241 N 0.48 0.00 0.00 1.92 1.79 -1.24 -3.26 116.57 116.26 2fda h LYS 241 Ca -0.06 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.41 2fda h LYS 241 Cb 1.39 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.04 2fda h LYS 241 CO 0.16 0.17 -0.57 1.79 -1.08 0.00 0.00 179.45 179.91 2fda h THR 242 N 0.00 0.00 -3.57 -0.16 1.35 -1.16 -3.44 112.91 105.93 2fda h THR 242 Ca -0.01 -0.62 -0.64 0.00 -0.55 0.00 0.00 66.41 64.59 2fda h THR 242 Cb 1.15 1.27 -0.14 0.00 -1.73 0.00 0.00 68.15 68.71 2fda h THR 242 CO 0.02 0.00 0.13 -1.10 -0.25 0.00 0.00 175.52 174.33 2fda s GLN 243 N -3.20 3.60 0.00 4.72 -0.21 -1.08 -5.07 119.66 118.43 2fda s GLN 243 Ca 0.06 -0.03 0.12 0.00 0.02 0.00 0.00 55.36 55.52 2fda s GLN 243 Cb 0.12 -3.84 0.71 0.00 1.00 0.00 0.00 33.01 31.00 2fda s GLN 243 CO 0.72 -0.79 1.14 0.00 -2.12 0.00 0.00 175.29 174.24