#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k2e n THR 3 N 0.00 0.01 -3.77 0.55 -2.24 -0.05 -5.02 114.28 103.77 3k2e n THR 3 Ca 0.00 -0.05 -0.01 0.00 -2.27 0.00 0.00 64.05 61.71 3k2e n THR 3 Cb 0.00 0.79 0.01 0.00 -2.10 0.00 0.00 70.33 69.03 3k2e n THR 3 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3k2e n GLY 4 N 1.47 0.77 0.13 3.38 0.00 -0.87 -5.00 105.19 105.07 3k2e n GLY 4 Ca 0.03 -1.04 0.05 0.00 0.00 0.00 0.00 46.02 45.07 3k2e n GLY 4 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3k2e n MET 5 N -0.47 1.34 -0.25 1.61 2.81 -1.25 -3.68 117.12 117.23 3k2e n MET 5 Ca -0.00 -1.93 0.22 0.00 -1.81 0.00 0.00 57.70 54.18 3k2e n MET 5 Cb 0.36 -1.15 0.56 0.00 -0.71 0.00 0.00 33.22 32.28 3k2e n MET 5 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 3k2e h LEU 6 N 0.00 0.32 -3.23 4.03 3.38 -1.90 -1.72 115.31 116.19 3k2e h LEU 6 Ca 0.00 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3k2e h LEU 6 Cb 0.96 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.70 3k2e h LEU 6 CO 0.00 0.11 0.00 0.23 0.09 0.00 0.00 178.44 178.87 3k2e n MET 7 N -4.48 3.32 -1.69 1.13 2.81 0.29 -4.57 117.12 113.94 3k2e n MET 7 Ca 0.21 -2.76 -0.43 0.00 -1.81 0.00 0.00 57.70 52.90 3k2e n MET 7 Cb 0.81 -1.82 -0.03 0.00 -0.71 0.00 0.00 33.22 31.46 3k2e n MET 7 CO 0.00 0.00 0.00 -1.91 1.51 0.00 0.00 175.97 175.57 3k2e n GLU 8 N 0.04 2.64 -0.93 0.03 4.07 -0.65 -1.14 120.64 124.70 3k2e n GLU 8 Ca 0.21 0.96 0.00 0.00 -0.06 0.00 0.00 57.16 58.27 3k2e n GLU 8 Cb 0.86 -2.81 0.00 0.00 -0.06 0.00 0.00 31.44 29.43 3k2e n GLU 8 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3k2e n GLY 9 N 4.01 0.67 3.74 8.31 0.00 -1.25 -4.99 105.19 115.68 3k2e n GLY 9 Ca 0.17 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 3k2e n GLY 9 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3k2e s LYS 10 N -0.07 4.15 -0.14 1.61 -0.14 -0.29 -4.98 119.74 119.88 3k2e s LYS 10 Ca 0.00 -0.13 -0.04 0.00 -1.36 0.00 0.00 55.97 54.44 3k2e s LYS 10 Cb 0.00 -3.40 -0.03 0.00 -1.68 0.00 0.00 37.83 32.72 3k2e s LYS 10 CO 0.00 0.32 -0.00 0.15 -0.76 0.00 0.00 175.35 175.06 3k2e s LYS 11 N 0.27 3.51 0.22 1.68 1.02 -1.26 -0.83 119.74 124.36 3k2e s LYS 11 Ca 0.11 -0.44 -0.20 0.00 0.02 0.00 0.00 55.97 55.45 3k2e s LYS 11 Cb -0.12 -2.94 0.04 0.00 -0.52 0.00 0.00 37.83 34.29 3k2e s LYS 11 CO 0.00 0.40 0.62 0.20 -0.92 0.00 0.00 175.35 175.66 3k2e s GLY 12 N -0.05 -0.22 -0.11 -3.33 0.00 -0.14 0.17 107.32 103.65 3k2e s GLY 12 Ca 0.03 -0.07 0.00 0.00 0.00 0.00 0.00 44.72 44.68 3k2e s GLY 12 CO 0.02 -0.08 -0.11 0.54 0.00 0.00 0.00 173.10 173.47 3k2e s VAL 13 N -3.86 3.31 -0.22 1.40 0.11 -0.96 -1.05 120.40 119.14 3k2e s VAL 13 Ca 0.08 -0.59 -0.03 0.00 -2.93 0.00 0.00 61.98 58.51 3k2e s VAL 13 Cb -0.03 -2.38 -0.01 0.00 -1.53 0.00 0.00 36.38 32.43 3k2e s VAL 13 CO -0.01 0.54 -0.06 -0.63 -3.33 0.00 0.00 175.10 171.62 3k2e s ILE 14 N -0.05 3.27 -0.23 7.04 1.01 -0.25 -1.14 121.20 130.84 3k2e s ILE 14 Ca -0.01 -0.53 -0.07 0.00 0.00 0.00 0.00 60.65 60.04 3k2e s ILE 14 Cb -0.14 -2.48 -0.03 0.00 0.01 0.00 0.00 42.46 39.82 3k2e s ILE 14 CO 0.03 0.43 0.05 -0.63 0.00 0.00 0.00 174.94 174.83 3k2e s ILE 15 N 1.46 4.23 0.00 2.92 1.01 0.06 -2.69 121.20 128.19 3k2e s ILE 15 Ca 0.06 -0.20 0.00 0.00 0.00 0.00 0.00 60.65 60.50 3k2e s ILE 15 Cb -0.14 -2.96 0.00 0.00 0.01 0.00 0.00 42.46 39.37 3k2e s ILE 15 CO -0.04 0.37 0.00 0.61 0.00 0.00 0.00 174.94 175.88 3k2e n GLY 16 N 4.70 1.34 3.55 6.18 0.00 -1.26 -0.90 105.19 118.80 3k2e n GLY 16 Ca -0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.45 3k2e n GLY 16 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3k2e s VAL 17 N -1.89 3.74 -0.21 1.61 1.01 -1.26 -4.62 120.40 118.78 3k2e s VAL 17 Ca 0.00 0.20 0.14 0.00 0.00 0.00 0.00 61.98 62.32 3k2e s VAL 17 Cb 0.00 -4.92 -0.23 0.00 0.00 0.00 0.00 36.38 31.23 3k2e s VAL 17 CO 0.00 -1.85 0.03 0.00 0.00 0.00 0.00 175.10 173.29 3k2e n ALA 18 N 9.40 1.48 -3.57 5.51 0.00 -1.26 -4.85 120.51 127.22 3k2e n ALA 18 Ca 0.09 -1.27 0.00 0.00 0.00 0.00 0.00 53.44 52.26 3k2e n ALA 18 Cb 0.49 -0.19 0.02 0.00 0.00 0.00 0.00 19.45 19.77 3k2e n ALA 18 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3k2e n ASN 19 N -2.87 -1.59 -0.76 0.00 0.23 -1.26 -4.83 115.26 104.18 3k2e n ASN 19 Ca -0.35 -2.07 0.04 0.00 -0.53 0.00 0.00 54.58 51.67 3k2e n ASN 19 Cb 1.12 2.64 0.14 0.00 -2.08 0.00 0.00 39.78 41.60 3k2e n ASN 19 CO 0.00 0.00 0.00 -0.90 -0.93 0.00 0.00 177.26 175.43 3k2e n ASP 20 N -1.34 2.13 -0.24 0.53 5.68 -1.26 -3.11 116.55 118.94 3k2e n ASP 20 Ca -0.06 -2.16 0.08 0.00 -0.50 0.00 0.00 54.79 52.15 3k2e n ASP 20 Cb 0.42 -0.36 -0.04 0.00 -1.14 0.00 0.00 41.12 40.00 3k2e n ASP 20 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 3k2e n LYS 21 N 0.31 1.63 -2.39 0.11 5.02 -1.26 -4.89 118.16 116.69 3k2e n LYS 21 Ca 0.10 -0.52 -0.36 0.00 -2.02 0.00 0.00 58.31 55.51 3k2e n LYS 21 Cb 0.41 -1.29 -0.02 0.00 -0.02 0.00 0.00 35.03 34.11 3k2e n LYS 21 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 3k2e s SER 22 N -2.19 6.27 0.29 4.39 0.01 -1.18 -4.91 113.70 116.37 3k2e s SER 22 Ca 0.11 2.13 -0.00 0.00 1.31 0.00 0.00 55.95 59.50 3k2e s SER 22 Cb 0.13 -2.58 0.48 0.00 0.21 0.00 0.00 66.02 64.26 3k2e s SER 22 CO 0.52 -0.84 1.90 -0.07 0.41 0.00 0.00 173.24 175.16 3k2e h LEU 23 N 1.89 0.96 -1.08 2.44 3.38 -1.92 -1.82 115.31 119.15 3k2e h LEU 23 Ca -0.49 0.01 0.06 0.00 0.09 0.00 0.00 57.88 57.54 3k2e h LEU 23 Cb 1.24 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 41.73 3k2e h LEU 23 CO 0.60 0.62 0.62 0.00 0.09 0.00 0.00 178.44 180.36 3k2e h ALA 24 N 1.49 1.44 -0.18 1.53 0.00 -1.86 -1.41 119.26 120.28 3k2e h ALA 24 Ca 0.40 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.24 3k2e h ALA 24 Cb 0.17 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3k2e h ALA 24 CO -0.15 0.43 -0.05 2.35 0.00 0.00 0.00 179.25 181.83 3k2e h TRP 25 N 1.12 0.38 -0.73 0.00 2.91 -1.62 -1.02 115.95 117.00 3k2e h TRP 25 Ca 0.40 -0.08 0.05 0.00 1.13 0.00 0.00 58.89 60.39 3k2e h TRP 25 Cb 0.14 -0.09 -0.04 0.00 -0.51 0.00 0.00 29.16 28.65 3k2e h TRP 25 CO -0.00 0.61 0.48 0.78 -1.03 0.00 0.00 178.44 179.28 3k2e h GLY 26 N 0.05 1.00 1.09 2.65 0.00 -0.76 -0.13 103.07 106.96 3k2e h GLY 26 Ca 0.04 -0.33 -0.20 0.00 0.00 0.00 0.00 47.33 46.85 3k2e h GLY 26 CO 0.02 0.26 -0.67 -2.22 0.00 0.00 0.00 176.54 173.92 3k2e h ILE 27 N 0.82 1.30 0.01 2.60 2.04 -1.13 -2.12 117.51 121.03 3k2e h ILE 27 Ca 0.31 -1.89 -0.00 0.00 1.00 0.00 0.00 64.86 64.27 3k2e h ILE 27 Cb 0.18 2.00 0.00 0.00 -0.74 0.00 0.00 36.82 38.26 3k2e h ILE 27 CO -0.10 0.60 -0.00 0.00 0.00 0.00 0.00 178.15 178.64 3k2e h ALA 28 N 0.54 -0.01 -0.76 1.87 0.00 -0.60 -0.75 119.26 119.55 3k2e h ALA 28 Ca -0.04 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.91 3k2e h ALA 28 Cb 1.30 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 19.04 3k2e h ALA 28 CO 0.14 -0.50 0.46 -0.22 0.00 0.00 0.00 179.25 179.13 3k2e h LYS 29 N -0.03 0.83 -0.28 0.00 3.64 -1.06 0.56 116.57 120.23 3k2e h LYS 29 Ca -0.00 -0.05 -0.08 0.00 -1.27 0.00 0.00 60.65 59.25 3k2e h LYS 29 Cb 0.03 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.65 3k2e h LYS 29 CO 0.00 0.55 -0.15 0.00 -2.27 0.00 0.00 179.45 177.58 3k2e h ALA 30 N 1.36 0.40 -0.08 5.00 0.00 -0.92 0.23 119.26 125.24 3k2e h ALA 30 Ca 0.33 -0.33 -0.22 0.00 0.00 0.00 0.00 54.91 54.70 3k2e h ALA 30 Cb 0.14 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.84 3k2e h ALA 30 CO -0.16 0.29 -0.82 -0.39 0.00 0.00 0.00 179.25 178.16 3k2e h VAL 31 N 0.34 1.33 -0.62 0.00 -1.51 -0.98 -2.83 116.25 111.98 3k2e h VAL 31 Ca 0.06 -2.14 -0.01 0.00 -1.23 0.00 0.00 66.70 63.37 3k2e h VAL 31 Cb 0.67 2.15 -0.03 0.00 -2.13 0.00 0.00 31.29 31.94 3k2e h VAL 31 CO 0.04 0.66 0.33 0.00 -1.23 0.00 0.00 177.57 177.37 3k2e h ALA 33 N 1.15 1.11 -0.59 0.00 0.00 -0.88 -1.68 119.26 118.36 3k2e h ALA 33 Ca 0.22 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3k2e h ALA 33 Cb 0.06 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3k2e h ALA 33 CO -0.03 0.01 0.00 1.04 0.00 0.00 0.00 179.25 180.27 3k2e n GLN 34 N -3.25 3.50 -0.18 0.00 1.13 -0.70 -0.87 117.38 117.01 3k2e n GLN 34 Ca -0.03 -2.78 0.00 0.00 -1.94 0.00 0.00 57.00 52.25 3k2e n GLN 34 Cb 0.10 -1.80 0.00 0.00 0.11 0.00 0.00 30.24 28.65 3k2e n GLN 34 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3k2e n GLY 35 N 0.97 0.75 3.76 1.08 0.00 -0.63 -0.54 105.19 110.58 3k2e n GLY 35 Ca 0.24 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.88 3k2e n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k2e s ALA 36 N -2.19 3.05 -0.33 4.61 0.00 -0.65 -3.94 121.76 122.32 3k2e s ALA 36 Ca 0.00 1.15 -0.17 0.00 0.00 0.00 0.00 51.96 52.93 3k2e s ALA 36 Cb 0.00 -3.47 -0.01 0.00 0.00 0.00 0.00 23.12 19.64 3k2e s ALA 36 CO 0.00 -0.89 0.48 -2.00 0.00 0.00 0.00 175.76 173.35 3k2e s GLU 37 N -2.57 3.72 -0.03 0.00 2.12 -0.01 -4.61 118.70 117.32 3k2e s GLU 37 Ca 0.63 -0.10 0.05 0.00 0.36 0.00 0.00 54.97 55.91 3k2e s GLU 37 Cb -0.35 -3.77 -0.03 0.00 0.26 0.00 0.00 34.13 30.24 3k2e s GLU 37 CO 0.43 -0.55 -0.17 0.08 -0.54 0.00 0.00 175.26 174.51 3k2e s VAL 38 N 2.31 2.80 -0.12 3.70 1.01 -1.26 -0.96 120.40 127.88 3k2e s VAL 38 Ca 0.18 -0.86 -0.02 0.00 0.00 0.00 0.00 61.98 61.28 3k2e s VAL 38 Cb -0.16 -2.08 -0.03 0.00 0.00 0.00 0.00 36.38 34.11 3k2e s VAL 38 CO 0.12 0.56 -0.02 0.00 0.00 0.00 0.00 175.10 175.76 3k2e s ALA 39 N -0.72 3.12 -0.12 5.51 0.00 -0.22 -4.38 121.76 124.95 3k2e s ALA 39 Ca 0.11 -0.82 -0.03 0.00 0.00 0.00 0.00 51.96 51.22 3k2e s ALA 39 Cb -0.10 -1.48 -0.03 0.00 0.00 0.00 0.00 23.12 21.50 3k2e s ALA 39 CO 0.01 0.41 -0.01 -0.51 0.00 0.00 0.00 175.76 175.66 3k2e s LEU 40 N -0.30 3.44 0.34 0.00 1.43 -0.88 -1.09 118.68 121.61 3k2e s LEU 40 Ca 0.06 0.02 -0.06 0.00 -1.03 0.00 0.00 54.13 53.12 3k2e s LEU 40 Cb -0.12 -1.81 -0.05 0.00 0.03 0.00 0.00 46.19 44.24 3k2e s LEU 40 CO 0.02 0.28 0.62 0.42 0.23 0.00 0.00 176.35 177.92 3k2e s THR 41 N -0.28 4.96 0.06 5.49 -4.23 -1.10 -1.48 115.64 119.07 3k2e s THR 41 Ca 0.06 0.16 0.02 0.00 -1.18 0.00 0.00 61.69 60.74 3k2e s THR 41 Cb -0.12 -3.75 -0.03 0.00 1.34 0.00 0.00 72.50 69.93 3k2e s THR 41 CO 0.02 -0.43 -0.06 -0.72 -0.54 0.00 0.00 174.62 172.88 3k2e s TYR 42 N -2.23 0.70 0.10 3.99 -0.85 -0.75 -4.61 117.35 113.71 3k2e s TYR 42 Ca 0.46 -0.71 -0.19 0.00 -0.52 0.00 0.00 57.07 56.11 3k2e s TYR 42 Cb -0.10 -0.42 -0.06 0.00 0.38 0.00 0.00 41.96 41.75 3k2e s TYR 42 CO 0.32 -0.14 1.64 1.25 -1.52 0.00 0.00 175.55 177.10 3k2e h LEU 43 N 3.83 0.36 -7.72 -3.49 5.85 -1.89 0.22 115.31 112.47 3k2e h LEU 43 Ca -0.35 -0.17 0.17 0.00 0.84 0.00 0.00 57.88 58.37 3k2e h LEU 43 Cb 1.18 -0.09 -0.07 0.00 0.37 0.00 0.00 40.66 42.05 3k2e h LEU 43 CO 0.52 0.44 0.48 -0.94 -0.34 0.00 0.00 178.44 178.60 3k2e s SER 44 N -5.69 -0.15 0.38 1.25 1.04 -1.26 -3.65 113.70 105.61 3k2e s SER 44 Ca -0.13 -0.47 0.09 0.00 0.48 0.00 0.00 55.95 55.91 3k2e s SER 44 Cb 0.08 0.51 0.83 0.00 0.10 0.00 0.00 66.02 67.54 3k2e s SER 44 CO 0.72 -0.95 1.94 -0.33 0.98 0.00 0.00 173.24 175.60 3k2e h GLU 45 N 2.00 0.64 -0.80 4.02 4.39 -2.00 -0.61 114.58 122.22 3k2e h GLU 45 Ca -0.25 -0.04 0.19 0.00 0.34 0.00 0.00 59.36 59.60 3k2e h GLU 45 Cb 1.23 -0.14 -0.05 0.00 -0.10 0.00 0.00 28.75 29.68 3k2e h GLU 45 CO 0.27 0.42 0.54 1.15 -1.16 0.00 0.00 179.01 180.24 3k2e h THR 46 N 0.66 0.71 -0.38 1.13 2.02 -2.00 -1.98 112.91 113.06 3k2e h THR 46 Ca 0.34 -0.10 0.00 0.00 0.77 0.00 0.00 66.41 67.42 3k2e h THR 46 Cb 0.46 0.38 0.00 0.00 -1.74 0.00 0.00 68.15 67.25 3k2e h THR 46 CO -0.12 0.05 0.00 0.49 0.37 0.00 0.00 175.52 176.31 3k2e n PHE 47 N -4.45 0.67 -0.11 3.16 3.72 -0.26 -4.62 117.46 115.57 3k2e n PHE 47 Ca 0.16 -0.58 -0.06 0.00 -0.05 0.00 0.00 57.45 56.92 3k2e n PHE 47 Cb 0.67 -0.10 0.12 0.00 -0.94 0.00 0.00 39.48 39.24 3k2e n PHE 47 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 3k2e h LYS 48 N 2.29 0.80 -0.18 -1.08 3.64 -1.10 -2.45 116.57 118.50 3k2e h LYS 48 Ca 0.00 -0.26 0.05 0.00 -1.27 0.00 0.00 60.65 59.17 3k2e h LYS 48 Cb 0.94 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.68 3k2e h LYS 48 CO 0.06 0.86 0.13 0.87 -2.27 0.00 0.00 179.45 179.10 3k2e h LYS 49 N 0.73 0.02 -0.07 1.90 1.57 -1.82 -1.38 116.57 117.52 3k2e h LYS 49 Ca 0.13 -0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.70 3k2e h LYS 49 Cb 0.57 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.88 3k2e h LYS 49 CO 0.03 0.01 -0.81 0.07 -0.57 0.00 0.00 179.45 178.19 3k2e h ARG 50 N 0.02 0.50 0.01 3.15 -0.00 -1.78 -3.28 114.38 113.00 3k2e h ARG 50 Ca 0.08 -0.44 -0.21 0.00 -0.00 0.00 0.00 59.98 59.41 3k2e h ARG 50 Cb 0.31 0.10 -0.02 0.00 -0.00 0.00 0.00 29.97 30.36 3k2e h ARG 50 CO -0.00 1.08 -0.96 -0.24 -0.00 0.00 0.00 179.97 179.84 3k2e h VAL 51 N 0.33 1.63 -0.72 0.08 3.04 -1.40 -3.40 116.25 115.80 3k2e h VAL 51 Ca -0.05 -3.12 0.10 0.00 -1.01 0.00 0.00 66.70 62.62 3k2e h VAL 51 Cb 1.41 2.72 -0.12 0.00 -2.01 0.00 0.00 31.29 33.30 3k2e h VAL 51 CO 0.15 0.90 -0.46 0.44 -1.01 0.00 0.00 177.57 177.59 3k2e h ASP 52 N 0.02 -1.61 0.52 3.17 3.32 -1.34 0.17 116.42 120.68 3k2e h ASP 52 Ca -0.03 0.27 -0.07 0.00 0.02 0.00 0.00 57.03 57.23 3k2e h ASP 52 Cb 1.67 0.74 -0.01 0.00 0.22 0.00 0.00 39.33 41.96 3k2e h ASP 52 CO 0.13 -0.31 -0.33 1.55 -1.72 0.00 0.00 179.24 178.56 3k2e h PRO 53 N -0.15 0.00 -0.19 3.56 0.13 -1.78 -0.59 132.00 132.98 3k2e h PRO 53 Ca 0.20 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.29 3k2e h PRO 53 Cb 0.55 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.67 3k2e h PRO 53 CO -0.78 0.33 -0.05 -0.07 -0.23 0.00 0.00 178.00 177.20 3k2e h LEU 54 N 0.00 0.37 -0.16 1.56 3.38 -1.47 -1.60 115.31 117.38 3k2e h LEU 54 Ca -0.00 -0.37 0.03 0.00 0.09 0.00 0.00 57.88 57.63 3k2e h LEU 54 Cb 0.68 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.30 3k2e h LEU 54 CO 0.04 0.65 -0.02 0.00 0.09 0.00 0.00 178.44 179.21 3k2e h ALA 55 N 0.73 0.13 -0.49 1.53 0.00 -0.78 -2.04 119.26 118.34 3k2e h ALA 55 Ca 0.05 0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.02 3k2e h ALA 55 Cb 0.49 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 3k2e h ALA 55 CO 0.02 -0.46 0.31 1.05 0.00 0.00 0.00 179.25 180.17 3k2e h GLU 56 N 0.03 0.61 0.00 0.00 9.09 -1.12 0.13 114.58 123.32 3k2e h GLU 56 Ca 0.08 -0.04 -0.05 0.00 0.05 0.00 0.00 59.36 59.40 3k2e h GLU 56 Cb 0.11 -0.14 -0.01 0.00 -1.65 0.00 0.00 28.75 27.06 3k2e h GLU 56 CO -0.15 0.40 -0.25 0.66 0.05 0.00 0.00 179.01 179.73 3k2e h SER 57 N 0.63 0.00 1.61 3.06 4.64 -1.04 -1.75 113.55 120.69 3k2e h SER 57 Ca 0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 3k2e h SER 57 Cb -0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.05 3k2e h SER 57 CO -0.06 0.25 -0.18 -0.07 -0.87 0.00 0.00 176.83 175.90 3k2e h LEU 58 N 0.00 0.00 0.00 5.97 3.38 -0.67 -3.47 115.31 120.51 3k2e h LEU 58 Ca -0.00 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3k2e h LEU 58 Cb 0.60 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.35 3k2e h LEU 58 CO 0.03 0.01 0.00 0.61 0.09 0.00 0.00 178.44 179.18 3k2e n GLY 59 N 1.20 0.55 3.73 0.83 0.00 -0.21 -4.95 105.19 106.34 3k2e n GLY 59 Ca 0.04 -0.35 -0.41 0.00 0.00 0.00 0.00 46.02 45.29 3k2e n GLY 59 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3k2e s VAL 60 N -2.00 3.49 -0.66 1.61 1.01 0.28 -4.92 120.40 119.20 3k2e s VAL 60 Ca 0.00 1.20 0.07 0.00 0.00 0.00 0.00 61.98 63.25 3k2e s VAL 60 Cb 0.00 -3.77 0.00 0.00 0.00 0.00 0.00 36.38 32.62 3k2e s VAL 60 CO 0.00 0.17 0.54 2.29 0.00 0.00 0.00 175.10 178.10 3k2e n LYS 61 N 2.84 2.05 -4.00 2.72 0.00 -1.26 -4.40 118.16 116.11 3k2e n LYS 61 Ca 0.06 -0.55 -0.30 0.00 -0.00 0.00 0.00 58.31 57.53 3k2e n LYS 61 Cb 0.44 -1.00 -0.16 0.00 -0.00 0.00 0.00 35.03 34.31 3k2e n LYS 61 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.40 176.23 3k2e s LEU 62 N -1.32 1.85 0.06 -5.58 2.96 -1.26 -5.11 118.68 110.28 3k2e s LEU 62 Ca 0.06 -0.63 0.06 0.00 -0.22 0.00 0.00 54.13 53.41 3k2e s LEU 62 Cb 0.06 -1.16 -0.03 0.00 0.50 0.00 0.00 46.19 45.56 3k2e s LEU 62 CO 0.16 -0.10 -0.18 0.42 -1.32 0.00 0.00 176.35 175.34 3k2e s THR 63 N 1.48 1.44 -0.07 3.68 -4.23 -1.26 -2.07 115.64 114.61 3k2e s THR 63 Ca 0.03 -1.21 -0.04 0.00 -1.18 0.00 0.00 61.69 59.29 3k2e s THR 63 Cb -0.14 -1.29 0.03 0.00 1.34 0.00 0.00 72.50 72.44 3k2e s THR 63 CO -0.10 0.05 0.15 -0.69 -0.54 0.00 0.00 174.62 173.50 3k2e s VAL 64 N -0.93 -0.03 0.38 2.29 1.01 -0.55 -4.97 120.40 117.60 3k2e s VAL 64 Ca 0.04 0.12 -0.27 0.00 0.00 0.00 0.00 61.98 61.88 3k2e s VAL 64 Cb -0.09 -0.24 -0.09 0.00 0.00 0.00 0.00 36.38 35.96 3k2e s VAL 64 CO 0.02 0.05 1.27 -2.16 0.00 0.00 0.00 175.10 174.28 3k2e s PRO 65 N 0.83 4.11 -0.30 2.72 0.04 -1.26 -1.81 135.00 139.32 3k2e s PRO 65 Ca -0.06 2.10 -0.11 0.00 0.04 0.00 0.00 61.00 62.96 3k2e s PRO 65 Cb -0.08 -2.84 0.14 0.00 0.04 0.00 0.00 34.50 31.76 3k2e s PRO 65 CO -0.04 -0.36 0.74 0.00 0.04 0.00 0.00 177.00 177.38 3k2e s ASP 67 N 2.79 5.47 0.32 0.00 -1.08 -1.25 -4.11 116.67 118.81 3k2e s ASP 67 Ca -0.05 -1.10 0.24 0.00 -0.52 0.00 0.00 52.55 51.13 3k2e s ASP 67 Cb -0.11 -1.93 1.15 0.00 -1.46 0.00 0.00 42.92 40.58 3k2e s ASP 67 CO -0.19 -0.35 1.74 -0.37 0.52 0.00 0.00 175.17 176.52 3k2e h VAL 68 N 6.07 0.00 -0.00 1.11 -1.51 -1.97 -1.74 116.25 118.21 3k2e h VAL 68 Ca -0.24 -0.15 0.00 0.00 -1.23 0.00 0.00 66.70 65.08 3k2e h VAL 68 Cb 1.09 0.81 0.00 0.00 -2.13 0.00 0.00 31.29 31.06 3k2e h VAL 68 CO 0.63 0.00 -0.02 -1.54 -1.23 0.00 0.00 177.57 175.40 3k2e n SER 69 N -2.34 0.09 -4.05 4.19 3.41 -1.26 -4.74 113.62 108.93 3k2e n SER 69 Ca 0.00 -0.29 -0.32 0.00 -0.26 0.00 0.00 58.87 58.01 3k2e n SER 69 Cb 0.15 -0.22 -0.15 0.00 -0.26 0.00 0.00 64.21 63.73 3k2e n SER 69 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3k2e s ASP 70 N -2.52 4.12 0.22 4.04 -1.08 -0.65 -5.01 116.67 115.78 3k2e s ASP 70 Ca 0.30 -1.24 -0.08 0.00 -0.52 0.00 0.00 52.55 51.01 3k2e s ASP 70 Cb 0.20 -1.45 0.26 0.00 -1.46 0.00 0.00 42.92 40.47 3k2e s ASP 70 CO 0.46 -0.17 1.82 0.00 0.52 0.00 0.00 175.17 177.80 3k2e h ALA 71 N 7.84 0.97 -0.55 3.66 0.00 -1.86 -1.34 119.26 127.98 3k2e h ALA 71 Ca -0.22 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.65 3k2e h ALA 71 Cb 1.06 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 3k2e h ALA 71 CO 0.47 0.13 0.18 1.49 0.00 0.00 0.00 179.25 181.52 3k2e h GLU 72 N 0.78 0.80 -0.35 0.00 4.81 -1.95 0.44 114.58 119.12 3k2e h GLU 72 Ca 0.32 -0.14 -0.03 0.00 -0.13 0.00 0.00 59.36 59.38 3k2e h GLU 72 Cb 0.17 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.40 3k2e h GLU 72 CO -0.17 0.69 0.09 1.03 -0.73 0.00 0.00 179.01 179.92 3k2e h SER 73 N 0.79 0.52 -0.37 1.04 0.87 -1.58 -1.07 113.55 113.74 3k2e h SER 73 Ca 0.18 -0.22 -0.02 0.00 -1.23 0.00 0.00 61.79 60.50 3k2e h SER 73 Cb 0.21 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 62.02 3k2e h SER 73 CO -0.01 0.61 0.14 0.58 -0.53 0.00 0.00 176.83 177.62 3k2e h VAL 74 N 0.41 1.19 -0.50 2.23 2.07 -0.88 -1.41 116.25 119.35 3k2e h VAL 74 Ca 0.11 -0.59 0.06 0.00 0.82 0.00 0.00 66.70 67.10 3k2e h VAL 74 Cb 0.28 0.90 -0.05 0.00 -1.52 0.00 0.00 31.29 30.90 3k2e h VAL 74 CO -0.00 0.21 0.21 0.44 0.02 0.00 0.00 177.57 178.45 3k2e h ASP 75 N 0.45 0.25 -0.77 0.57 3.32 -0.72 -1.57 116.42 117.95 3k2e h ASP 75 Ca 0.12 0.05 -0.05 0.00 0.02 0.00 0.00 57.03 57.17 3k2e h ASP 75 Cb 0.19 0.01 -0.03 0.00 0.22 0.00 0.00 39.33 39.72 3k2e h ASP 75 CO -0.01 0.17 0.30 -1.13 -1.72 0.00 0.00 179.24 176.85 3k2e h ASN 76 N 0.41 1.08 -0.53 6.45 -0.73 -1.01 -0.65 115.58 120.61 3k2e h ASN 76 Ca 0.24 -0.17 -0.02 0.00 1.87 0.00 0.00 56.30 58.21 3k2e h ASN 76 Cb 0.22 -0.28 -0.02 0.00 0.27 0.00 0.00 38.32 38.50 3k2e h ASN 76 CO -0.21 0.96 0.23 -0.03 -0.37 0.00 0.00 177.43 178.01 3k2e h MET 77 N 1.13 0.77 -0.12 6.67 4.05 -0.70 -0.36 114.93 126.38 3k2e h MET 77 Ca 0.26 -0.13 -0.09 0.00 -0.28 0.00 0.00 59.70 59.46 3k2e h MET 77 Cb 0.23 -0.13 -0.01 0.00 -0.80 0.00 0.00 31.60 30.89 3k2e h MET 77 CO -0.02 0.66 -0.33 0.74 0.23 0.00 0.00 176.91 178.18 3k2e h PHE 78 N 0.71 0.27 -0.57 1.39 0.04 -1.00 -1.86 116.94 115.92 3k2e h PHE 78 Ca 0.18 -0.06 -0.06 0.00 2.80 0.00 0.00 57.97 60.83 3k2e h PHE 78 Cb 0.16 -0.06 -0.02 0.00 2.20 0.00 0.00 35.95 38.22 3k2e h PHE 78 CO 0.00 0.55 0.12 0.87 -0.60 0.00 0.00 178.31 179.25 3k2e h LYS 79 N 0.21 0.92 -0.30 1.51 6.56 -0.72 -0.13 116.57 124.62 3k2e h LYS 79 Ca 0.03 -0.23 0.02 0.00 -1.06 0.00 0.00 60.65 59.41 3k2e h LYS 79 Cb 0.69 -0.11 -0.03 0.00 -0.57 0.00 0.00 32.23 32.21 3k2e h LYS 79 CO 0.05 0.87 0.14 0.28 -2.06 0.00 0.00 179.45 178.73 3k2e h VAL 80 N 0.82 0.97 -0.59 0.50 2.07 -0.72 -0.58 116.25 118.71 3k2e h VAL 80 Ca 0.18 -0.10 -0.07 0.00 0.82 0.00 0.00 66.70 67.53 3k2e h VAL 80 Cb 0.38 0.65 -0.03 0.00 -1.52 0.00 0.00 31.29 30.77 3k2e h VAL 80 CO 0.01 0.05 0.09 -0.07 0.02 0.00 0.00 177.57 177.67 3k2e h LEU 81 N 0.29 0.91 -0.29 2.57 3.38 -1.01 0.11 115.31 121.26 3k2e h LEU 81 Ca 0.13 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.90 3k2e h LEU 81 Cb 0.06 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 3k2e h LEU 81 CO -0.10 0.92 0.19 0.00 0.09 0.00 0.00 178.44 179.53 3k2e h ALA 82 N 1.19 0.37 -0.59 1.53 0.00 -0.64 0.12 119.26 121.25 3k2e h ALA 82 Ca 0.18 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 3k2e h ALA 82 Cb 0.40 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 3k2e h ALA 82 CO 0.01 -0.15 0.17 0.93 0.00 0.00 0.00 179.25 180.21 3k2e h GLU 83 N 0.38 0.92 0.03 0.00 5.08 -0.61 0.43 114.58 120.82 3k2e h GLU 83 Ca 0.11 -0.21 -0.27 0.00 -1.00 0.00 0.00 59.36 57.99 3k2e h GLU 83 Cb -0.02 -0.13 0.02 0.00 0.50 0.00 0.00 28.75 29.12 3k2e h GLU 83 CO -0.02 0.84 -1.07 0.93 -1.00 0.00 0.00 179.01 178.68 3k2e h GLU 84 N 0.84 0.61 0.00 2.33 4.39 -0.66 -3.41 114.58 118.68 3k2e h GLU 84 Ca 0.19 -0.70 -0.11 0.00 0.34 0.00 0.00 59.36 59.08 3k2e h GLU 84 Cb 0.31 0.21 -0.02 0.00 -0.10 0.00 0.00 28.75 29.14 3k2e h GLU 84 CO -0.00 1.29 -1.41 0.91 -1.16 0.00 0.00 179.01 178.63 3k2e n TRP 85 N -3.81 0.00 0.00 4.33 8.01 0.42 -5.02 117.44 121.37 3k2e n TRP 85 Ca -0.11 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.08 3k2e n TRP 85 Cb 0.90 -0.30 0.00 0.00 -2.01 0.00 0.00 31.31 29.91 3k2e n TRP 85 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3k2e n GLY 86 N 2.65 3.02 3.83 6.99 0.00 0.14 -4.91 105.19 116.92 3k2e n GLY 86 Ca -0.10 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.86 3k2e n GLY 86 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3k2e s SER 87 N -0.85 -0.20 -0.02 1.61 1.04 -1.26 -4.97 113.70 109.04 3k2e s SER 87 Ca 0.00 -0.63 -0.02 0.00 0.48 0.00 0.00 55.95 55.78 3k2e s SER 87 Cb 0.00 0.68 0.01 0.00 0.10 0.00 0.00 66.02 66.81 3k2e s SER 87 CO 0.00 -1.28 0.06 -0.22 0.98 0.00 0.00 173.24 172.79 3k2e s LEU 88 N -2.96 1.76 -0.15 2.42 2.96 -0.48 -4.93 118.68 117.30 3k2e s LEU 88 Ca 0.12 0.10 0.14 0.00 -0.22 0.00 0.00 54.13 54.28 3k2e s LEU 88 Cb -0.05 0.24 -0.20 0.00 0.50 0.00 0.00 46.19 46.67 3k2e s LEU 88 CO 0.06 -0.04 0.07 0.47 -1.32 0.00 0.00 176.35 175.59 3k2e n ASP 89 N 2.95 1.03 -3.65 3.68 8.00 0.13 -4.31 116.55 124.36 3k2e n ASP 89 Ca -0.13 0.00 -0.12 0.00 0.71 0.00 0.00 54.79 55.25 3k2e n ASP 89 Cb 0.59 0.94 -0.06 0.00 -0.02 0.00 0.00 41.12 42.58 3k2e n ASP 89 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 3k2e s PHE 90 N -2.43 -0.23 -0.02 1.24 -0.12 -0.92 -1.79 117.98 113.71 3k2e s PHE 90 Ca -0.08 0.07 0.01 0.00 -0.05 0.00 0.00 56.93 56.88 3k2e s PHE 90 Cb 0.05 0.23 0.01 0.00 -0.63 0.00 0.00 43.02 42.69 3k2e s PHE 90 CO 0.66 -0.63 -0.03 0.08 -0.05 0.00 0.00 175.22 175.26 3k2e s VAL 91 N -3.08 0.30 -0.14 -2.49 1.01 -0.79 -2.25 120.40 112.95 3k2e s VAL 91 Ca -0.02 -0.07 0.02 0.00 0.00 0.00 0.00 61.98 61.91 3k2e s VAL 91 Cb 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 36.38 36.07 3k2e s VAL 91 CO -0.07 0.13 -0.19 -0.69 0.00 0.00 0.00 175.10 174.28 3k2e s VAL 92 N 0.46 2.33 -0.31 2.92 1.01 -0.29 -0.65 120.40 125.87 3k2e s VAL 92 Ca -0.05 -0.89 -0.03 0.00 0.00 0.00 0.00 61.98 61.02 3k2e s VAL 92 Cb -0.08 -1.95 0.05 0.00 0.00 0.00 0.00 36.38 34.40 3k2e s VAL 92 CO -0.01 0.54 0.02 -2.28 0.00 0.00 0.00 175.10 173.37 3k2e s HIS 93 N 0.74 3.26 -0.45 5.22 2.46 0.47 -0.76 115.29 126.23 3k2e s HIS 93 Ca -0.08 -1.79 0.08 0.00 0.47 0.00 0.00 55.06 53.74 3k2e s HIS 93 Cb -0.16 -2.14 0.27 0.00 -0.13 0.00 0.00 32.58 30.42 3k2e s HIS 93 CO 0.00 -0.79 0.61 0.00 -2.47 0.00 0.00 174.74 172.10 3k2e n ALA 94 N 4.66 2.83 -3.19 1.58 0.00 -0.08 -3.35 120.51 122.96 3k2e n ALA 94 Ca -0.13 -3.75 -0.13 0.00 0.00 0.00 0.00 53.44 49.43 3k2e n ALA 94 Cb 0.44 -0.84 -0.13 0.00 0.00 0.00 0.00 19.45 18.91 3k2e n ALA 94 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3k2e s VAL 95 N -1.74 -0.01 -0.03 0.00 -7.23 -1.26 -4.23 120.40 105.90 3k2e s VAL 95 Ca 0.37 0.04 -0.18 0.00 -1.81 0.00 0.00 61.98 60.41 3k2e s VAL 95 Cb 0.19 -0.20 0.03 0.00 0.56 0.00 0.00 36.38 36.96 3k2e s VAL 95 CO -0.09 0.02 0.39 0.00 -0.31 0.00 0.00 175.10 175.11 3k2e s ALA 96 N 0.34 -1.00 -0.12 1.32 0.00 -1.26 -4.63 121.76 116.42 3k2e s ALA 96 Ca -0.02 0.56 -0.11 0.00 0.00 0.00 0.00 51.96 52.39 3k2e s ALA 96 Cb -0.04 0.03 0.03 0.00 0.00 0.00 0.00 23.12 23.15 3k2e s ALA 96 CO -0.01 -0.28 0.32 0.12 0.00 0.00 0.00 175.76 175.91 3k2e s PHE 97 N -1.24 -0.36 0.05 0.00 5.36 -1.26 -4.96 117.98 115.57 3k2e s PHE 97 Ca -0.13 0.87 -0.27 0.00 -0.96 0.00 0.00 56.93 56.45 3k2e s PHE 97 Cb -0.04 0.12 0.07 0.00 -0.34 0.00 0.00 43.02 42.83 3k2e s PHE 97 CO 0.05 -0.17 0.64 0.45 -1.46 0.00 0.00 175.22 174.73 3k2e s SER 98 N 0.21 -0.61 -0.00 6.13 0.15 -1.26 -4.28 113.70 114.04 3k2e s SER 98 Ca -0.00 0.36 -0.30 0.00 0.70 0.00 0.00 55.95 56.71 3k2e s SER 98 Cb -0.03 0.57 -0.07 0.00 -1.71 0.00 0.00 66.02 64.79 3k2e s SER 98 CO 0.00 -0.79 1.66 -0.62 1.20 0.00 0.00 173.24 174.70 3k2e s ASP 99 N -1.96 6.64 0.33 5.45 2.15 -1.26 -4.89 116.67 123.13 3k2e s ASP 99 Ca -0.05 2.35 0.07 0.00 0.43 0.00 0.00 52.55 55.34 3k2e s ASP 99 Cb -0.00 -2.54 0.57 0.00 -0.30 0.00 0.00 42.92 40.64 3k2e s ASP 99 CO -0.01 -0.91 1.79 0.07 -0.17 0.00 0.00 175.17 175.94 3k2e h LYS 100 N 9.11 0.30 -0.14 4.34 2.10 -2.00 -2.23 116.57 128.05 3k2e h LYS 100 Ca -0.41 -0.10 -0.20 0.00 -2.00 0.00 0.00 60.65 57.93 3k2e h LYS 100 Cb 1.19 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 32.50 3k2e h LYS 100 CO 0.94 0.54 -0.73 -0.91 -2.00 0.00 0.00 179.45 177.29 3k2e h ASN 101 N 0.27 0.79 0.43 7.07 -0.26 -2.00 -3.09 115.58 118.78 3k2e h ASN 101 Ca 0.04 -0.50 -0.09 0.00 -0.56 0.00 0.00 56.30 55.19 3k2e h ASN 101 Cb 0.61 -0.23 -0.01 0.00 -1.06 0.00 0.00 38.32 37.62 3k2e h ASN 101 CO 0.04 1.28 -0.44 -0.33 -1.06 0.00 0.00 177.43 176.93 3k2e h GLU 102 N 0.47 0.01 -0.86 0.81 5.08 -1.91 -1.77 114.58 116.41 3k2e h GLU 102 Ca -0.04 -0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.36 3k2e h GLU 102 Cb 1.34 -0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.54 3k2e h GLU 102 CO 0.14 0.44 0.56 -0.07 -1.00 0.00 0.00 179.01 179.09 3k2e h LEU 103 N 0.01 0.90 -0.72 1.33 3.38 -1.36 -2.24 115.31 116.61 3k2e h LEU 103 Ca -0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3k2e h LEU 103 Cb 0.78 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.32 3k2e h LEU 103 CO 0.06 0.61 0.00 0.11 0.09 0.00 0.00 178.44 179.30 3k2e h LYS 104 N 1.04 0.00 0.00 1.13 1.57 -1.24 -3.39 116.57 115.67 3k2e h LYS 104 Ca 0.35 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.13 3k2e h LYS 104 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.39 3k2e h LYS 104 CO -0.11 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.18 3k2e n GLY 105 N 0.21 1.66 3.88 3.86 0.00 -0.84 -5.01 105.19 108.94 3k2e n GLY 105 Ca 0.02 -1.85 -0.35 0.00 0.00 0.00 0.00 46.02 43.84 3k2e n GLY 105 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3k2e s ARG 106 N 3.08 3.57 0.28 1.61 0.52 -1.26 -4.76 118.95 121.99 3k2e s ARG 106 Ca 0.00 -0.07 0.02 0.00 -0.52 0.00 0.00 55.73 55.16 3k2e s ARG 106 Cb 0.00 -3.11 0.57 0.00 0.52 0.00 0.00 34.95 32.93 3k2e s ARG 106 CO 0.00 0.68 1.83 -0.92 0.02 0.00 0.00 175.30 176.91 3k2e h TYR 107 N 4.20 1.14 0.00 -0.53 3.20 -1.94 -1.94 116.97 121.11 3k2e h TYR 107 Ca -0.51 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.39 3k2e h TYR 107 Cb 1.20 -0.36 0.00 0.00 1.54 0.00 0.00 36.73 39.11 3k2e h TYR 107 CO 0.70 0.44 0.00 -0.24 -1.64 0.00 0.00 178.16 177.41 3k2e h VAL 108 N 0.98 0.00 -0.55 1.81 3.04 -1.98 -0.66 116.25 118.89 3k2e h VAL 108 Ca 0.51 -0.12 0.00 0.00 -1.01 0.00 0.00 66.70 66.07 3k2e h VAL 108 Cb 0.52 0.89 0.00 0.00 -2.01 0.00 0.00 31.29 30.69 3k2e h VAL 108 CO -0.27 0.00 0.00 0.47 -1.01 0.00 0.00 177.57 176.76 3k2e n ASP 109 N -2.63 3.09 -4.74 3.17 8.00 -0.73 -4.96 116.55 117.76 3k2e n ASP 109 Ca -0.01 -2.04 -0.42 0.00 0.71 0.00 0.00 54.79 53.03 3k2e n ASP 109 Cb 0.12 -0.39 -0.02 0.00 -0.02 0.00 0.00 41.12 40.82 3k2e n ASP 109 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 3k2e n THR 110 N 1.10 0.98 -2.76 -3.53 -1.04 -0.26 -4.98 114.28 103.80 3k2e n THR 110 Ca 0.19 -0.25 -0.29 0.00 -2.04 0.00 0.00 64.05 61.67 3k2e n THR 110 Cb 0.50 -1.93 -0.01 0.00 -1.82 0.00 0.00 70.33 67.07 3k2e n THR 110 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 3k2e s SER 111 N 0.50 6.37 0.16 8.00 1.04 -1.26 -4.97 113.70 123.54 3k2e s SER 111 Ca 0.65 0.99 -0.15 0.00 0.48 0.00 0.00 55.95 57.91 3k2e s SER 111 Cb -0.51 -2.27 0.05 0.00 0.10 0.00 0.00 66.02 63.39 3k2e s SER 111 CO 0.48 -0.49 1.81 0.25 0.98 0.00 0.00 173.24 176.27 3k2e h LEU 112 N 0.69 0.46 -0.44 2.42 5.85 -1.99 -1.18 115.31 121.13 3k2e h LEU 112 Ca -0.47 -0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.24 3k2e h LEU 112 Cb 1.20 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 42.10 3k2e h LEU 112 CO 0.63 0.33 0.26 1.23 -0.34 0.00 0.00 178.44 180.55 3k2e h GLY 113 N 0.56 0.63 0.88 3.75 0.00 -1.99 0.04 103.07 106.94 3k2e h GLY 113 Ca 0.17 -0.26 -0.04 0.00 0.00 0.00 0.00 47.33 47.20 3k2e h GLY 113 CO -0.06 0.25 0.04 -0.57 0.00 0.00 0.00 176.54 176.20 3k2e h ASN 114 N 0.58 0.46 -0.22 0.19 -1.24 -1.93 -0.53 115.58 112.89 3k2e h ASN 114 Ca 0.16 -0.27 0.06 0.00 0.71 0.00 0.00 56.30 56.95 3k2e h ASN 114 Cb -0.00 -0.12 -0.07 0.00 0.73 0.00 0.00 38.32 38.86 3k2e h ASN 114 CO -0.03 0.62 -0.23 0.15 -1.29 0.00 0.00 177.43 176.65 3k2e h PHE 115 N 0.29 -0.60 -0.32 0.67 3.57 -0.88 0.91 116.94 120.58 3k2e h PHE 115 Ca 0.08 0.04 -0.10 0.00 3.53 0.00 0.00 57.97 61.52 3k2e h PHE 115 Cb 0.36 0.30 -0.01 0.00 2.79 0.00 0.00 35.95 39.39 3k2e h PHE 115 CO 0.03 -0.30 -0.19 -0.07 -2.23 0.00 0.00 178.31 175.54 3k2e h LEU 116 N -0.24 0.72 -0.31 0.59 3.38 -0.94 -0.18 115.31 118.32 3k2e h LEU 116 Ca 0.13 -0.42 -0.01 0.00 0.09 0.00 0.00 57.88 57.66 3k2e h LEU 116 Cb 0.44 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 3k2e h LEU 116 CO -0.36 0.99 0.14 0.74 0.09 0.00 0.00 178.44 180.04 3k2e h THR 117 N 0.46 1.16 -0.54 0.22 2.02 -1.02 0.12 112.91 115.33 3k2e h THR 117 Ca 0.07 -0.48 -0.00 0.00 0.77 0.00 0.00 66.41 66.77 3k2e h THR 117 Cb 0.74 0.90 -0.03 0.00 -1.74 0.00 0.00 68.15 68.02 3k2e h THR 117 CO 0.05 0.17 0.33 0.28 0.37 0.00 0.00 175.52 176.73 3k2e h SER 118 N 0.37 0.64 -0.63 4.18 0.02 -0.78 -1.47 113.55 115.89 3k2e h SER 118 Ca 0.11 -0.05 -0.05 0.00 -0.84 0.00 0.00 61.79 60.96 3k2e h SER 118 Cb 0.14 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 62.49 3k2e h SER 118 CO -0.01 0.50 0.19 0.24 -1.14 0.00 0.00 176.83 176.61 3k2e h MET 119 N 0.73 0.98 0.77 3.45 2.07 -0.81 0.23 114.93 122.34 3k2e h MET 119 Ca 0.19 -0.21 -0.04 0.00 -2.07 0.00 0.00 59.70 57.57 3k2e h MET 119 Cb -0.03 -0.14 0.01 0.00 -1.87 0.00 0.00 31.60 29.57 3k2e h MET 119 CO -0.04 0.87 -0.37 1.25 1.07 0.00 0.00 176.91 179.69 3k2e h HIS 120 N 0.90 -0.96 -0.24 -0.22 6.17 -0.50 0.38 115.15 120.69 3k2e h HIS 120 Ca 0.20 -0.02 -0.14 0.00 0.71 0.00 0.00 60.37 61.12 3k2e h HIS 120 Cb 0.30 0.32 -0.00 0.00 2.52 0.00 0.00 27.41 30.54 3k2e h HIS 120 CO 0.02 -0.59 -0.42 0.82 0.71 0.00 0.00 177.93 178.47 3k2e h ILE 121 N -1.05 1.31 0.00 6.26 2.04 -1.26 -0.61 117.51 124.20 3k2e h ILE 121 Ca -0.11 -1.62 -0.13 0.00 1.00 0.00 0.00 64.86 64.01 3k2e h ILE 121 Cb 0.80 1.75 -0.02 0.00 -0.74 0.00 0.00 36.82 38.61 3k2e h ILE 121 CO 0.17 0.51 -0.90 0.28 0.00 0.00 0.00 178.15 178.22 3k2e h SER 122 N 0.42 0.00 0.00 1.72 0.02 -0.60 -3.39 113.55 111.72 3k2e h SER 122 Ca 0.02 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 3k2e h SER 122 Cb 1.01 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.55 3k2e h SER 122 CO 0.09 0.51 -0.02 0.00 -1.14 0.00 0.00 176.83 176.27 3k2e h TYR 124 N -0.02 0.92 -0.74 0.00 3.20 -0.72 -2.43 116.97 117.17 3k2e h TYR 124 Ca 0.00 0.01 0.14 0.00 3.14 0.00 0.00 58.73 62.02 3k2e h TYR 124 Cb 0.02 -0.31 -0.05 0.00 1.54 0.00 0.00 36.73 37.94 3k2e h TYR 124 CO -0.01 0.60 0.49 0.66 -1.64 0.00 0.00 178.16 178.26 3k2e h SER 125 N 0.97 0.42 -0.49 -2.11 4.64 -1.31 0.05 113.55 115.73 3k2e h SER 125 Ca 0.26 0.02 -0.05 0.00 -0.47 0.00 0.00 61.79 61.55 3k2e h SER 125 Cb -0.07 -0.07 -0.02 0.00 -0.31 0.00 0.00 62.40 61.94 3k2e h SER 125 CO -0.05 0.23 0.12 0.15 -0.87 0.00 0.00 176.83 176.41 3k2e h PHE 126 N 0.46 0.82 -0.48 4.77 3.57 -1.71 -0.07 116.94 124.29 3k2e h PHE 126 Ca 0.36 -0.10 -0.05 0.00 3.53 0.00 0.00 57.97 61.71 3k2e h PHE 126 Cb 0.76 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 39.25 3k2e h PHE 126 CO -0.00 0.73 0.10 1.15 -2.23 0.00 0.00 178.31 178.06 3k2e h THR 127 N 0.67 1.24 -0.25 4.41 2.02 -1.12 -0.37 112.91 119.51 3k2e h THR 127 Ca 0.15 -0.86 -0.03 0.00 0.77 0.00 0.00 66.41 66.44 3k2e h THR 127 Cb 0.32 0.88 -0.01 0.00 -1.74 0.00 0.00 68.15 67.60 3k2e h THR 127 CO 0.00 0.31 0.04 0.22 0.37 0.00 0.00 175.52 176.46 3k2e h TYR 128 N 0.66 0.45 -0.32 3.16 3.20 -1.03 -1.00 116.97 122.09 3k2e h TYR 128 Ca 0.15 -0.06 0.03 0.00 3.14 0.00 0.00 58.73 61.99 3k2e h TYR 128 Cb 0.35 -0.12 -0.03 0.00 1.54 0.00 0.00 36.73 38.46 3k2e h TYR 128 CO 0.02 0.53 0.11 0.82 -1.64 0.00 0.00 178.16 178.01 3k2e h ILE 129 N 0.23 0.91 -0.93 1.81 2.04 -0.97 -1.04 117.51 119.57 3k2e h ILE 129 Ca 0.08 -0.09 0.09 0.00 1.00 0.00 0.00 64.86 65.94 3k2e h ILE 129 Cb 0.33 0.64 -0.07 0.00 -0.74 0.00 0.00 36.82 36.98 3k2e h ILE 129 CO 0.00 0.05 0.57 0.00 0.00 0.00 0.00 178.15 178.78 3k2e h ALA 130 N 1.20 1.33 -0.93 1.87 0.00 -0.82 0.65 119.26 122.56 3k2e h ALA 130 Ca 0.14 0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.07 3k2e h ALA 130 Cb 0.11 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 17.64 3k2e h ALA 130 CO -0.15 0.25 0.62 0.66 0.00 0.00 0.00 179.25 180.64 3k2e h SER 131 N 0.98 1.07 0.75 0.00 4.64 -0.09 -1.52 113.55 119.38 3k2e h SER 131 Ca 0.43 -0.03 -0.22 0.00 -0.47 0.00 0.00 61.79 61.51 3k2e h SER 131 Cb 0.32 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 62.13 3k2e h SER 131 CO -0.22 0.77 -1.00 0.11 -0.87 0.00 0.00 176.83 175.63 3k2e h LYS 132 N 1.26 0.13 -0.45 4.77 1.79 -0.49 -3.30 116.57 120.28 3k2e h LYS 132 Ca 0.34 -0.19 -0.09 0.00 -2.18 0.00 0.00 60.65 58.53 3k2e h LYS 132 Cb -0.15 0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 30.55 3k2e h LYS 132 CO -0.07 1.02 -0.09 0.00 -1.08 0.00 0.00 179.45 179.23 3k2e h ALA 133 N 0.91 1.00 -0.57 3.86 0.00 -0.67 -3.37 119.26 120.42 3k2e h ALA 133 Ca -0.05 -0.31 0.11 0.00 0.00 0.00 0.00 54.91 54.66 3k2e h ALA 133 Cb 1.69 -0.18 -0.11 0.00 0.00 0.00 0.00 17.79 19.20 3k2e h ALA 133 CO 0.15 0.60 -0.15 1.49 0.00 0.00 0.00 179.25 181.34 3k2e h GLU 134 N 0.73 -0.01 0.00 0.00 4.81 -1.36 -1.00 114.58 117.74 3k2e h GLU 134 Ca 0.13 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.34 3k2e h GLU 134 Cb 0.57 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.95 3k2e h GLU 134 CO 0.03 -0.01 -0.06 -1.35 -0.73 0.00 0.00 179.01 176.90 3k2e h PRO 135 N -0.01 0.00 0.00 0.92 0.11 -1.79 -0.84 132.00 130.39 3k2e h PRO 135 Ca 0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.38 3k2e h PRO 135 Cb 0.42 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.53 3k2e h PRO 135 CO -0.59 0.06 -0.33 -0.07 -0.21 0.00 0.00 178.00 176.86 3k2e h LEU 136 N 0.00 0.00 -7.48 2.35 4.07 -1.41 -3.41 115.31 109.43 3k2e h LEU 136 Ca -0.00 -0.07 -0.79 0.00 0.08 0.00 0.00 57.88 57.09 3k2e h LEU 136 Cb 0.18 0.00 -0.27 0.00 1.08 0.00 0.00 40.66 41.65 3k2e h LEU 136 CO 0.01 0.04 0.60 0.23 -1.08 0.00 0.00 178.44 178.24 3k2e n MET 137 N -2.43 3.65 0.00 1.13 2.81 -0.32 -1.38 117.12 120.58 3k2e n MET 137 Ca 0.04 -4.40 0.11 0.00 -1.81 0.00 0.00 57.70 51.63 3k2e n MET 137 Cb 0.47 -2.60 0.04 0.00 -0.71 0.00 0.00 33.22 30.42 3k2e n MET 137 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 3k2e n THR 138 N 2.69 0.00 -2.39 2.03 -2.24 -1.26 -3.84 114.28 109.27 3k2e n THR 138 Ca 0.26 -0.05 -0.27 0.00 -2.27 0.00 0.00 64.05 61.72 3k2e n THR 138 Cb 0.39 0.79 0.00 0.00 -2.10 0.00 0.00 70.33 69.41 3k2e n THR 138 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3k2e n ASN 139 N -1.19 4.82 0.00 3.42 5.15 -1.26 -5.09 115.26 121.11 3k2e n ASN 139 Ca 0.06 -3.73 0.00 0.00 -0.60 0.00 0.00 54.58 50.31 3k2e n ASN 139 Cb 0.35 -0.46 0.00 0.00 -0.53 0.00 0.00 39.78 39.15 3k2e n ASN 139 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3k2e n GLY 140 N -0.52 0.47 0.00 8.20 0.00 -1.25 -5.05 105.19 107.04 3k2e n GLY 140 Ca 0.40 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.58 3k2e n GLY 140 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k2e n GLY 141 N 0.00 0.53 3.26 -0.02 0.00 -1.14 -4.78 105.19 103.04 3k2e n GLY 141 Ca 0.00 -1.75 -0.10 0.00 0.00 0.00 0.00 46.02 44.17 3k2e n GLY 141 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3k2e s SER 142 N -4.00 -0.42 -0.11 1.61 0.15 -0.74 -1.22 113.70 108.97 3k2e s SER 142 Ca 0.00 0.91 0.03 0.00 0.70 0.00 0.00 55.95 57.60 3k2e s SER 142 Cb 0.00 0.94 0.01 0.00 -1.71 0.00 0.00 66.02 65.25 3k2e s SER 142 CO 0.00 -0.21 -0.22 -0.63 1.20 0.00 0.00 173.24 173.39 3k2e s ILE 143 N 1.78 1.93 -0.04 6.45 1.01 -0.04 -1.89 121.20 130.40 3k2e s ILE 143 Ca -0.07 -0.93 0.02 0.00 0.00 0.00 0.00 60.65 59.67 3k2e s ILE 143 Cb -0.10 -1.69 0.01 0.00 0.01 0.00 0.00 42.46 40.69 3k2e s ILE 143 CO -0.13 0.53 -0.10 -0.22 0.00 0.00 0.00 174.94 175.03 3k2e s LEU 144 N 0.57 1.65 0.39 2.97 2.96 0.18 -1.58 118.68 125.81 3k2e s LEU 144 Ca -0.14 -0.22 0.05 0.00 -0.22 0.00 0.00 54.13 53.60 3k2e s LEU 144 Cb -0.17 -0.65 -0.07 0.00 0.50 0.00 0.00 46.19 45.80 3k2e s LEU 144 CO 0.04 0.04 0.03 0.28 -1.32 0.00 0.00 176.35 175.42 3k2e s THR 145 N 0.50 1.61 -0.07 3.68 -1.32 -0.67 -0.40 115.64 118.97 3k2e s THR 145 Ca -0.09 -2.00 0.04 0.00 -1.21 0.00 0.00 61.69 58.43 3k2e s THR 145 Cb -0.13 -2.85 -0.02 0.00 -1.51 0.00 0.00 72.50 68.00 3k2e s THR 145 CO 0.02 0.00 -0.20 -0.76 -2.21 0.00 0.00 174.62 171.47 3k2e s LEU 146 N -3.64 2.39 0.00 9.08 1.43 -1.21 -1.16 118.68 125.56 3k2e s LEU 146 Ca 0.33 -0.39 0.00 0.00 -1.03 0.00 0.00 54.13 53.04 3k2e s LEU 146 Cb 0.09 -1.47 0.00 0.00 0.03 0.00 0.00 46.19 44.83 3k2e s LEU 146 CO 0.16 0.25 0.00 -0.24 0.23 0.00 0.00 176.35 176.75 3k2e n SER 147 N 2.93 0.67 -3.54 2.29 2.88 0.95 -4.91 113.62 114.90 3k2e n SER 147 Ca -0.18 -0.81 -0.14 0.00 -1.33 0.00 0.00 58.87 56.41 3k2e n SER 147 Cb 0.52 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.93 3k2e n SER 147 CO 0.00 0.00 0.00 -0.47 -1.23 0.00 0.00 175.04 173.34 3k2e s TYR 148 N -1.41 -0.48 0.56 0.66 5.04 -1.26 -1.81 117.35 118.65 3k2e s TYR 148 Ca 0.00 0.55 0.40 0.00 -2.44 0.00 0.00 57.07 55.58 3k2e s TYR 148 Cb 0.00 0.39 2.15 0.00 0.35 0.00 0.00 41.96 44.85 3k2e s TYR 148 CO 0.00 -0.67 2.29 -0.92 -1.34 0.00 0.00 175.55 174.90 3k2e h TYR 149 N 2.68 0.00 0.00 4.97 3.20 -1.90 -0.79 116.97 125.12 3k2e h TYR 149 Ca -0.31 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.56 3k2e h TYR 149 Cb 1.22 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.49 3k2e h TYR 149 CO 0.34 0.01 0.02 0.41 -1.64 0.00 0.00 178.16 177.30 3k2e n GLY 150 N -0.91 -0.73 0.17 1.82 0.00 -1.26 -0.91 105.19 103.37 3k2e n GLY 150 Ca -0.02 0.13 0.02 0.00 0.00 0.00 0.00 46.02 46.15 3k2e n GLY 150 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k2e h ALA 151 N 1.95 1.20 0.00 4.61 0.00 -1.29 -3.36 119.26 122.36 3k2e h ALA 151 Ca 0.00 -0.41 -0.34 0.00 0.00 0.00 0.00 54.91 54.16 3k2e h ALA 151 Cb 0.03 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 17.69 3k2e h ALA 151 CO 0.00 0.56 -2.28 0.39 0.00 0.00 0.00 179.25 177.92 3k2e n GLU 152 N -3.92 0.82 -4.09 0.00 1.02 -0.09 -4.44 120.64 109.95 3k2e n GLU 152 Ca -0.01 0.06 -0.11 0.00 -0.02 0.00 0.00 57.16 57.08 3k2e n GLU 152 Cb 0.48 -1.46 -0.11 0.00 -0.02 0.00 0.00 31.44 30.33 3k2e n GLU 152 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 3k2e s LYS 153 N -2.45 0.61 -0.05 3.49 -0.14 -0.56 -5.11 119.74 115.54 3k2e s LYS 153 Ca -0.20 -0.99 -0.30 0.00 -1.36 0.00 0.00 55.97 53.12 3k2e s LYS 153 Cb 0.07 -0.14 -0.05 0.00 -1.68 0.00 0.00 37.83 36.02 3k2e s LYS 153 CO 0.64 -0.01 1.58 0.08 -0.76 0.00 0.00 175.35 176.89 3k2e s VAL 154 N -2.48 3.61 -0.19 3.17 1.01 -1.26 -4.00 120.40 120.27 3k2e s VAL 154 Ca -0.01 0.82 -0.02 0.00 0.00 0.00 0.00 61.98 62.76 3k2e s VAL 154 Cb -0.03 -3.53 -0.00 0.00 0.00 0.00 0.00 36.38 32.82 3k2e s VAL 154 CO -0.03 -0.06 -0.10 -0.69 0.00 0.00 0.00 175.10 174.23 3k2e s VAL 155 N 3.63 3.03 0.35 2.92 1.01 -1.26 -5.01 120.40 125.07 3k2e s VAL 155 Ca 0.70 -0.62 -0.28 0.00 0.00 0.00 0.00 61.98 61.78 3k2e s VAL 155 Cb -0.33 -2.34 -0.11 0.00 0.00 0.00 0.00 36.38 33.60 3k2e s VAL 155 CO 0.28 0.47 1.48 -2.65 0.00 0.00 0.00 175.10 174.68 3k2e n PRO 156 N 4.44 2.58 -1.44 2.72 -0.02 -1.26 -1.79 135.00 140.23 3k2e n PRO 156 Ca -0.19 0.91 -0.15 0.00 -2.02 0.00 0.00 63.50 62.05 3k2e n PRO 156 Cb 0.51 -2.62 -0.06 0.00 -0.02 0.00 0.00 33.50 31.30 3k2e n PRO 156 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 3k2e n HIS 157 N 0.79 0.00 -0.02 6.00 8.25 -1.26 -4.82 115.22 124.16 3k2e n HIS 157 Ca 0.03 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.47 3k2e n HIS 157 Cb 0.38 -2.80 -0.12 0.00 1.12 0.00 0.00 29.99 28.56 3k2e n HIS 157 CO 0.00 0.00 0.00 0.98 0.64 0.00 0.00 176.34 177.96 3k2e n TYR 158 N -2.46 0.56 0.00 4.41 9.36 -0.74 -4.70 117.16 123.58 3k2e n TYR 158 Ca -0.15 0.19 0.00 0.00 3.32 0.00 0.00 57.90 61.26 3k2e n TYR 158 Cb 0.55 -0.99 0.00 0.00 -0.63 0.00 0.00 39.34 38.27 3k2e n TYR 158 CO 0.00 0.00 0.00 0.09 0.22 0.00 0.00 176.86 177.17 3k2e n ASN 159 N -2.77 0.00 0.26 2.98 3.02 -1.26 -0.86 115.26 116.63 3k2e n ASN 159 Ca -0.16 0.00 0.14 0.00 -0.03 0.00 0.00 54.58 54.52 3k2e n ASN 159 Cb 0.92 0.00 0.72 0.00 -0.61 0.00 0.00 39.78 40.81 3k2e n ASN 159 CO 0.00 0.00 0.00 1.62 -2.62 0.00 0.00 177.26 176.26 3k2e h VAL 160 N 0.00 0.46 -0.08 2.41 3.04 -1.92 -0.97 116.25 119.19 3k2e h VAL 160 Ca 0.00 -0.59 -0.06 0.00 -1.01 0.00 0.00 66.70 65.04 3k2e h VAL 160 Cb 0.00 1.41 -0.01 0.00 -2.01 0.00 0.00 31.29 30.68 3k2e h VAL 160 CO 0.00 0.11 -0.21 -0.03 -1.01 0.00 0.00 177.57 176.44 3k2e h MET 161 N 0.00 0.13 -0.48 4.17 -1.53 -1.39 0.24 114.93 116.07 3k2e h MET 161 Ca -0.00 -0.03 0.02 0.00 -3.44 0.00 0.00 59.70 56.25 3k2e h MET 161 Cb 0.40 -0.02 -0.03 0.00 -0.55 0.00 0.00 31.60 31.40 3k2e h MET 161 CO 0.01 0.34 0.29 0.78 0.14 0.00 0.00 176.91 178.47 3k2e h GLY 162 N 0.79 0.68 1.24 1.39 0.00 -1.06 0.21 103.07 106.31 3k2e h GLY 162 Ca 0.02 -0.21 -0.12 0.00 0.00 0.00 0.00 47.33 47.02 3k2e h GLY 162 CO 0.03 0.18 -0.19 -2.08 0.00 0.00 0.00 176.54 174.49 3k2e h VAL 163 N 0.57 1.27 -0.53 4.60 2.07 -1.39 -0.77 116.25 122.08 3k2e h VAL 163 Ca 0.19 -1.32 -0.10 0.00 0.82 0.00 0.00 66.70 66.30 3k2e h VAL 163 Cb 0.02 1.12 -0.02 0.00 -1.52 0.00 0.00 31.29 30.89 3k2e h VAL 163 CO -0.09 0.45 -0.05 0.00 0.02 0.00 0.00 177.57 177.90 3k2e h LYS 165 N 0.84 0.26 -0.60 0.00 1.79 -0.38 0.84 116.57 119.32 3k2e h LYS 165 Ca 0.14 -0.15 -0.05 0.00 -2.18 0.00 0.00 60.65 58.42 3k2e h LYS 165 Cb 0.60 0.01 -0.03 0.00 -1.58 0.00 0.00 32.23 31.24 3k2e h LYS 165 CO 0.04 0.71 0.19 0.00 -1.08 0.00 0.00 179.45 179.31 3k2e h ALA 166 N 1.26 0.78 -0.43 3.86 0.00 -1.01 0.87 119.26 124.59 3k2e h ALA 166 Ca 0.01 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 3k2e h ALA 166 Cb 0.97 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 3k2e h ALA 166 CO 0.08 0.45 0.27 0.00 0.00 0.00 0.00 179.25 180.04 3k2e h ALA 167 N 1.06 0.55 -0.41 0.00 0.00 -0.98 -1.95 119.26 117.54 3k2e h ALA 167 Ca 0.19 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.08 3k2e h ALA 167 Cb 0.28 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 3k2e h ALA 167 CO -0.01 0.04 0.20 1.25 0.00 0.00 0.00 179.25 180.73 3k2e h LEU 168 N 0.58 0.28 -1.18 0.00 5.85 -0.43 0.09 115.31 120.50 3k2e h LEU 168 Ca 0.16 0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.85 3k2e h LEU 168 Cb -0.01 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 40.97 3k2e h LEU 168 CO -0.03 0.20 0.06 -0.33 -0.34 0.00 0.00 178.44 178.01 3k2e h GLU 169 N 0.40 0.63 -0.45 1.25 5.08 -0.67 -1.25 114.58 119.57 3k2e h GLU 169 Ca 0.18 -0.12 -0.08 0.00 -1.00 0.00 0.00 59.36 58.33 3k2e h GLU 169 Cb 0.09 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 3k2e h GLU 169 CO -0.13 0.61 -0.02 0.00 -1.00 0.00 0.00 179.01 178.46 3k2e h ALA 170 N 1.46 0.61 -0.26 3.43 0.00 -0.98 -2.89 119.26 120.63 3k2e h ALA 170 Ca 0.14 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 3k2e h ALA 170 Cb 0.29 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3k2e h ALA 170 CO 0.00 0.43 0.15 0.66 0.00 0.00 0.00 179.25 180.49 3k2e h SER 171 N 0.65 0.30 -0.83 0.00 4.64 -0.22 -1.56 113.55 116.54 3k2e h SER 171 Ca 0.12 -0.01 0.04 0.00 -0.47 0.00 0.00 61.79 61.47 3k2e h SER 171 Cb 0.53 -0.08 -0.05 0.00 -0.31 0.00 0.00 62.40 62.50 3k2e h SER 171 CO 0.03 0.24 0.54 0.58 -0.87 0.00 0.00 176.83 177.35 3k2e h VAL 172 N 0.35 1.13 -0.11 0.95 2.07 -1.04 0.17 116.25 119.77 3k2e h VAL 172 Ca 0.09 -0.35 -0.06 0.00 0.82 0.00 0.00 66.70 67.20 3k2e h VAL 172 Cb -0.00 0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 29.79 3k2e h VAL 172 CO -0.02 0.19 -0.18 0.11 0.02 0.00 0.00 177.57 177.69 3k2e h LYS 173 N 1.02 0.31 -0.47 1.57 1.57 -1.26 -0.70 116.57 118.60 3k2e h LYS 173 Ca 0.33 -0.19 -0.07 0.00 -1.87 0.00 0.00 60.65 58.85 3k2e h LYS 173 Cb 0.05 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.36 3k2e h LYS 173 CO -0.10 0.77 0.01 1.88 -0.57 0.00 0.00 179.45 181.44 3k2e h TYR 174 N -0.13 0.89 -0.65 -1.35 -1.99 -1.22 -2.54 116.97 109.98 3k2e h TYR 174 Ca 0.01 -0.15 -0.05 0.00 2.00 0.00 0.00 58.73 60.54 3k2e h TYR 174 Cb 0.74 -0.23 -0.03 0.00 2.00 0.00 0.00 36.73 39.21 3k2e h TYR 174 CO 0.10 0.85 0.21 -0.07 -0.00 0.00 0.00 178.16 179.25 3k2e h LEU 175 N 0.68 0.92 -0.76 3.88 3.38 -0.67 -1.97 115.31 120.77 3k2e h LEU 175 Ca 0.13 -0.16 0.04 0.00 0.09 0.00 0.00 57.88 57.98 3k2e h LEU 175 Cb 0.49 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.95 3k2e h LEU 175 CO 0.02 0.86 0.48 0.00 0.09 0.00 0.00 178.44 179.89 3k2e h ALA 176 N 1.26 1.01 -0.16 1.53 0.00 -0.78 0.16 119.26 122.28 3k2e h ALA 176 Ca 0.21 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 3k2e h ALA 176 Cb 0.27 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3k2e h ALA 176 CO -0.01 0.27 0.05 0.28 0.00 0.00 0.00 179.25 179.84 3k2e h VAL 177 N 0.92 1.18 -0.02 0.00 2.07 -1.06 0.11 116.25 119.45 3k2e h VAL 177 Ca 0.31 -0.55 -0.00 0.00 0.82 0.00 0.00 66.70 67.28 3k2e h VAL 177 Cb 0.04 1.24 -0.00 0.00 -1.52 0.00 0.00 31.29 31.05 3k2e h VAL 177 CO -0.12 0.17 0.01 0.44 0.02 0.00 0.00 177.57 178.09 3k2e h ASP 178 N 0.08 0.03 1.04 0.57 3.32 -1.01 -3.26 116.42 117.19 3k2e h ASP 178 Ca 0.05 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.06 3k2e h ASP 178 Cb 0.21 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.76 3k2e h ASP 178 CO -0.00 0.06 -0.64 -0.07 -1.72 0.00 0.00 179.24 176.87 3k2e h LEU 179 N -0.01 0.00 -2.20 1.55 3.38 -0.71 -3.25 115.31 114.06 3k2e h LEU 179 Ca 0.01 -0.12 0.04 0.00 0.09 0.00 0.00 57.88 57.90 3k2e h LEU 179 Cb 0.04 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 3k2e h LEU 179 CO -0.00 0.06 0.13 1.23 0.09 0.00 0.00 178.44 179.95 3k2e h GLY 180 N 4.33 0.00 1.98 0.83 0.00 -0.71 -1.50 103.07 108.00 3k2e h GLY 180 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 3k2e h GLY 180 CO 0.00 0.00 -0.08 0.50 0.00 0.00 0.00 176.54 176.96 3k2e h LYS 181 N 0.00 0.02 -0.64 4.80 1.57 -1.69 -0.09 116.57 120.54 3k2e h LYS 181 Ca 0.07 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 3k2e h LYS 181 Cb 0.33 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.64 3k2e h LYS 181 CO -0.00 0.10 0.00 1.04 -0.57 0.00 0.00 179.45 180.02 3k2e n GLN 182 N -4.43 3.88 -2.28 3.15 1.13 -0.64 -4.93 117.38 113.26 3k2e n GLN 182 Ca -0.03 -2.67 -0.19 0.00 -1.94 0.00 0.00 57.00 52.18 3k2e n GLN 182 Cb 0.16 -1.98 -0.02 0.00 0.11 0.00 0.00 30.24 28.52 3k2e n GLN 182 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 3k2e n GLN 183 N 0.82 -1.48 -3.73 -1.09 1.13 -0.05 -3.88 117.38 109.09 3k2e n GLN 183 Ca 0.24 0.93 -0.36 0.00 -1.94 0.00 0.00 57.00 55.87 3k2e n GLN 183 Cb 0.93 -5.46 -0.09 0.00 0.11 0.00 0.00 30.24 25.73 3k2e n GLN 183 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 3k2e s ILE 184 N -2.92 5.23 0.25 5.09 1.01 -0.76 -2.87 121.20 126.23 3k2e s ILE 184 Ca 0.00 0.13 -0.13 0.00 0.00 0.00 0.00 60.65 60.65 3k2e s ILE 184 Cb 0.00 -3.42 -0.08 0.00 0.01 0.00 0.00 42.46 38.97 3k2e s ILE 184 CO 0.00 0.38 0.63 -0.13 0.00 0.00 0.00 174.94 175.82 3k2e s ARG 185 N 0.85 3.93 -0.06 2.79 3.00 -0.36 -3.10 118.95 126.01 3k2e s ARG 185 Ca 0.07 0.49 -0.00 0.00 0.00 0.00 0.00 55.73 56.28 3k2e s ARG 185 Cb -0.13 -2.63 0.03 0.00 0.00 0.00 0.00 34.95 32.22 3k2e s ARG 185 CO 0.03 0.29 -0.02 0.08 0.00 0.00 0.00 175.30 175.68 3k2e s VAL 186 N -1.80 0.41 0.18 3.52 1.01 -1.26 -0.86 120.40 121.60 3k2e s VAL 186 Ca 0.48 0.03 -0.10 0.00 0.00 0.00 0.00 61.98 62.38 3k2e s VAL 186 Cb -0.12 -0.51 -0.00 0.00 0.00 0.00 0.00 36.38 35.75 3k2e s VAL 186 CO 0.20 0.23 0.34 0.20 0.00 0.00 0.00 175.10 176.07 3k2e s ASN 187 N 1.47 -0.02 0.09 3.32 0.01 -0.62 0.03 114.94 119.23 3k2e s ASN 187 Ca -0.03 -0.82 0.07 0.00 -0.71 0.00 0.00 52.86 51.36 3k2e s ASN 187 Cb -0.13 0.47 -0.03 0.00 0.41 0.00 0.00 41.25 41.97 3k2e s ASN 187 CO -0.03 -0.94 -0.17 0.00 -1.51 0.00 0.00 177.10 174.45 3k2e s ALA 188 N -3.96 1.49 -0.21 0.60 0.00 0.10 -1.67 121.76 118.11 3k2e s ALA 188 Ca 0.17 -1.15 -0.06 0.00 0.00 0.00 0.00 51.96 50.91 3k2e s ALA 188 Cb 0.02 -0.15 -0.03 0.00 0.00 0.00 0.00 23.12 22.96 3k2e s ALA 188 CO 0.01 0.23 0.04 0.42 0.00 0.00 0.00 175.76 176.46 3k2e s ILE 189 N -1.39 4.27 -0.53 0.00 1.01 -0.31 -0.61 121.20 123.64 3k2e s ILE 189 Ca 0.03 -0.20 -0.20 0.00 0.00 0.00 0.00 60.65 60.29 3k2e s ILE 189 Cb -0.09 -2.95 0.06 0.00 0.01 0.00 0.00 42.46 39.49 3k2e s ILE 189 CO 0.03 0.40 0.67 -0.55 0.00 0.00 0.00 174.94 175.50 3k2e s SER 190 N 1.07 6.23 0.04 3.58 0.15 0.73 -0.03 113.70 125.47 3k2e s SER 190 Ca 0.03 -0.94 -0.12 0.00 0.70 0.00 0.00 55.95 55.62 3k2e s SER 190 Cb -0.14 -2.31 -0.06 0.00 -1.71 0.00 0.00 66.02 61.80 3k2e s SER 190 CO 0.02 -0.96 0.41 0.00 1.20 0.00 0.00 173.24 173.91 3k2e s ALA 191 N 2.78 3.71 0.83 5.45 0.00 -0.75 -1.21 121.76 132.57 3k2e s ALA 191 Ca 0.16 -0.30 -0.11 0.00 0.00 0.00 0.00 51.96 51.71 3k2e s ALA 191 Cb -0.19 -2.33 0.09 0.00 0.00 0.00 0.00 23.12 20.69 3k2e s ALA 191 CO 0.12 0.52 1.09 0.20 0.00 0.00 0.00 175.76 177.69 3k2e s GLY 192 N -1.45 1.63 0.43 0.00 0.00 -0.20 -4.56 107.32 103.17 3k2e s GLY 192 Ca 0.29 -0.10 -0.26 0.00 0.00 0.00 0.00 44.72 44.65 3k2e s GLY 192 CO 0.16 0.34 1.44 2.56 0.00 0.00 0.00 173.10 177.60 3k2e s PRO 193 N -5.04 3.78 -0.12 2.90 0.04 -1.26 -4.81 135.00 130.48 3k2e s PRO 193 Ca 0.62 2.45 -0.03 0.00 0.04 0.00 0.00 61.00 64.08 3k2e s PRO 193 Cb -0.16 -2.73 -0.03 0.00 0.04 0.00 0.00 34.50 31.62 3k2e s PRO 193 CO 0.55 -0.75 -0.02 0.08 0.04 0.00 0.00 177.00 176.90 3k2e s VAL 194 N -1.18 4.09 -0.25 -0.36 1.01 -1.26 -3.70 120.40 118.74 3k2e s VAL 194 Ca 0.59 -0.31 -0.09 0.00 0.00 0.00 0.00 61.98 62.17 3k2e s VAL 194 Cb -0.44 -2.76 -0.04 0.00 0.00 0.00 0.00 36.38 33.14 3k2e s VAL 194 CO 0.58 0.54 0.13 -0.60 0.00 0.00 0.00 175.10 175.75 3k2e s ARG 195 N -0.19 3.90 0.00 2.72 3.52 -1.05 -5.04 118.95 122.82 3k2e s ARG 195 Ca 0.04 -0.36 0.00 0.00 -0.13 0.00 0.00 55.73 55.29 3k2e s ARG 195 Cb -0.13 -3.46 0.00 0.00 -1.56 0.00 0.00 34.95 29.80 3k2e s ARG 195 CO 0.02 -0.05 0.00 -1.13 -0.81 0.00 0.00 175.30 173.33 3k2e n SER 203 N 4.58 0.00 0.02 -2.12 3.41 -1.26 -4.61 113.62 113.65 3k2e n SER 203 Ca -0.15 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.34 3k2e n SER 203 Cb 0.52 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.41 3k2e n SER 203 CO 0.00 0.00 0.00 -2.24 -0.16 0.00 0.00 175.04 172.64 3k2e h ASP 204 N 0.00 0.03 -0.72 4.04 2.03 -2.03 -1.82 116.42 117.96 3k2e h ASP 204 Ca 0.00 0.00 -0.00 0.00 -0.73 0.00 0.00 57.03 56.30 3k2e h ASP 204 Cb 0.00 -0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 38.46 3k2e h ASP 204 CO 0.00 0.02 0.44 0.15 -1.03 0.00 0.00 179.24 178.82 3k2e h PHE 205 N 0.04 0.94 -0.75 4.15 3.57 -2.00 -1.80 116.94 121.09 3k2e h PHE 205 Ca 0.01 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.52 3k2e h PHE 205 Cb 0.00 -0.31 -0.04 0.00 2.79 0.00 0.00 35.95 38.39 3k2e h PHE 205 CO -0.08 0.63 0.49 1.25 -2.23 0.00 0.00 178.31 178.38 3k2e h HIS 206 N 0.98 0.94 -0.00 0.41 2.76 -1.87 0.31 115.15 118.67 3k2e h HIS 206 Ca 0.26 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.45 3k2e h HIS 206 Cb -0.04 -0.32 -0.00 0.00 1.55 0.00 0.00 27.41 28.61 3k2e h HIS 206 CO -0.01 0.58 0.00 -0.92 -1.30 0.00 0.00 177.93 176.28 3k2e h TYR 207 N 1.00 0.00 -0.50 5.26 3.20 -0.99 0.29 116.97 125.24 3k2e h TYR 207 Ca 0.28 0.00 0.02 0.00 3.14 0.00 0.00 58.73 62.17 3k2e h TYR 207 Cb -0.10 -0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.14 3k2e h TYR 207 CO -0.02 0.03 0.30 0.82 -1.64 0.00 0.00 178.16 177.65 3k2e h ILE 208 N -0.02 1.06 -0.19 1.81 1.08 -0.93 0.10 117.51 120.42 3k2e h ILE 208 Ca 0.00 -0.21 0.01 0.00 -0.39 0.00 0.00 64.86 64.28 3k2e h ILE 208 Cb 0.03 0.41 -0.02 0.00 -3.07 0.00 0.00 36.82 34.17 3k2e h ILE 208 CO -0.00 0.11 0.09 -0.07 -0.69 0.00 0.00 178.15 177.59 3k2e h LEU 209 N 0.60 0.14 -0.38 1.44 3.38 -0.81 -0.89 115.31 118.80 3k2e h LEU 209 Ca 0.20 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.16 3k2e h LEU 209 Cb 0.00 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 3k2e h LEU 209 CO -0.08 0.11 0.16 0.74 0.09 0.00 0.00 178.44 179.45 3k2e h THR 210 N 0.20 1.19 -0.59 0.22 2.02 -0.56 -0.81 112.91 114.57 3k2e h THR 210 Ca 0.08 -0.57 0.08 0.00 0.77 0.00 0.00 66.41 66.77 3k2e h THR 210 Cb 0.02 0.86 -0.07 0.00 -1.74 0.00 0.00 68.15 67.23 3k2e h THR 210 CO -0.06 0.21 0.24 -0.25 0.37 0.00 0.00 175.52 176.03 3k2e h TRP 211 N 0.46 0.43 -0.36 3.16 2.91 -0.63 -1.09 115.95 120.83 3k2e h TRP 211 Ca 0.13 0.03 -0.09 0.00 1.13 0.00 0.00 58.89 60.08 3k2e h TRP 211 Cb 0.17 -0.10 -0.02 0.00 -0.51 0.00 0.00 29.16 28.71 3k2e h TRP 211 CO -0.00 0.14 -0.15 -0.91 -1.03 0.00 0.00 178.44 176.48 3k2e h ASN 212 N 0.44 0.64 -0.33 2.65 2.35 -0.89 -1.81 115.58 118.63 3k2e h ASN 212 Ca 0.29 -0.19 -0.01 0.00 -0.55 0.00 0.00 56.30 55.84 3k2e h ASN 212 Cb 0.32 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.50 3k2e h ASN 212 CO -0.27 0.81 0.19 0.50 -1.65 0.00 0.00 177.43 177.00 3k2e h LYS 213 N 0.59 0.46 0.00 0.81 1.63 -0.28 -0.73 116.57 119.05 3k2e h LYS 213 Ca 0.10 -0.05 -0.12 0.00 -0.85 0.00 0.00 60.65 59.73 3k2e h LYS 213 Cb 0.59 -0.09 -0.02 0.00 -0.60 0.00 0.00 32.23 32.11 3k2e h LYS 213 CO 0.04 0.38 -0.57 1.88 -3.45 0.00 0.00 179.45 177.73 3k2e h TYR 214 N 0.42 0.00 -0.00 1.91 0.05 -1.11 -3.30 116.97 114.94 3k2e h TYR 214 Ca 0.12 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.90 3k2e h TYR 214 Cb 0.05 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.79 3k2e h TYR 214 CO -0.03 0.57 -0.39 0.09 -1.05 0.00 0.00 178.16 177.34 3k2e n ASN 215 N -3.63 0.53 -4.78 3.88 3.02 -0.69 -4.78 115.26 108.80 3k2e n ASN 215 Ca -0.01 -0.76 -0.37 0.00 -0.03 0.00 0.00 54.58 53.41 3k2e n ASN 215 Cb 0.62 0.93 -0.04 0.00 -0.61 0.00 0.00 39.78 40.67 3k2e n ASN 215 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 3k2e s SER 216 N -1.78 6.92 0.30 6.41 0.01 -0.29 -4.82 113.70 120.46 3k2e s SER 216 Ca 0.04 2.06 0.07 0.00 1.31 0.00 0.00 55.95 59.42 3k2e s SER 216 Cb 0.07 -2.59 0.81 0.00 0.21 0.00 0.00 66.02 64.52 3k2e s SER 216 CO 0.35 -0.38 1.71 -0.65 0.41 0.00 0.00 173.24 174.68 3k2e h PRO 217 N 2.82 0.45 -0.00 12.44 0.11 -1.73 0.19 132.00 146.27 3k2e h PRO 217 Ca -0.48 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3k2e h PRO 217 Cb 1.21 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3k2e h PRO 217 CO 0.63 0.29 -0.03 1.28 -0.21 0.00 0.00 178.00 179.97 3k2e n LEU 218 N -4.99 0.30 -3.61 2.35 4.77 -0.95 -4.93 117.00 109.94 3k2e n LEU 218 Ca 0.24 0.00 -0.26 0.00 -0.03 0.00 0.00 56.01 55.97 3k2e n LEU 218 Cb 0.71 -0.11 0.05 0.00 -2.33 0.00 0.00 43.42 41.74 3k2e n LEU 218 CO 0.14 0.05 0.14 0.54 -1.33 0.00 0.00 177.39 176.93 3k2e n ARG 219 N -0.91 -6.31 -3.87 3.23 1.74 0.65 -4.96 116.66 106.23 3k2e n ARG 219 Ca 0.19 0.73 -0.08 0.00 -0.77 0.00 0.00 57.85 57.92 3k2e n ARG 219 Cb 0.21 -5.68 -0.04 0.00 -1.02 0.00 0.00 32.46 25.93 3k2e n ARG 219 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 3k2e s ARG 220 N -6.32 1.60 0.28 5.56 1.70 -1.24 -4.90 118.95 115.63 3k2e s ARG 220 Ca 0.56 -1.04 -0.04 0.00 -0.47 0.00 0.00 55.73 54.73 3k2e s ARG 220 Cb -0.27 0.54 -0.05 0.00 -0.57 0.00 0.00 34.95 34.60 3k2e s ARG 220 CO 0.70 -0.70 0.54 -0.80 -1.08 0.00 0.00 175.30 173.95 3k2e s ASN 221 N -2.94 6.44 0.47 -2.89 -0.87 -1.26 -4.48 114.94 109.40 3k2e s ASN 221 Ca 0.14 0.68 -0.24 0.00 -1.57 0.00 0.00 52.86 51.88 3k2e s ASN 221 Cb -0.03 -2.13 -0.08 0.00 -0.02 0.00 0.00 41.25 38.99 3k2e s ASN 221 CO 0.05 -0.18 1.26 0.41 -2.57 0.00 0.00 177.10 176.07 3k2e n THR 222 N -0.91 2.96 -4.39 1.60 -1.04 -1.24 -4.85 114.28 106.40 3k2e n THR 222 Ca -0.02 -0.50 -0.25 0.00 -2.04 0.00 0.00 64.05 61.24 3k2e n THR 222 Cb 0.54 -1.55 -0.09 0.00 -1.82 0.00 0.00 70.33 67.41 3k2e n THR 222 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 3k2e s THR 223 N -1.25 2.49 0.36 12.58 -4.23 -1.26 -2.52 115.64 121.81 3k2e s THR 223 Ca 0.65 -2.02 0.04 0.00 -1.18 0.00 0.00 61.69 59.17 3k2e s THR 223 Cb -0.48 -2.77 0.27 0.00 1.34 0.00 0.00 72.50 70.86 3k2e s THR 223 CO 0.55 -0.19 2.00 -0.07 -0.54 0.00 0.00 174.62 176.37 3k2e h LEU 224 N 1.85 0.69 -0.83 4.79 3.38 -1.96 -2.01 115.31 121.21 3k2e h LEU 224 Ca -0.43 -0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.45 3k2e h LEU 224 Cb 1.25 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.82 3k2e h LEU 224 CO 0.68 0.48 -0.05 0.44 0.09 0.00 0.00 178.44 180.09 3k2e h ASP 225 N 0.80 0.80 -0.18 -0.43 3.32 -1.96 0.53 116.42 119.32 3k2e h ASP 225 Ca 0.25 -0.22 0.02 0.00 0.02 0.00 0.00 57.03 57.10 3k2e h ASP 225 Cb 0.02 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.33 3k2e h ASP 225 CO -0.07 0.90 0.04 0.44 -1.72 0.00 0.00 179.24 178.83 3k2e h ASP 226 N 0.75 0.03 -0.47 6.45 3.32 -1.77 -0.40 116.42 124.33 3k2e h ASP 226 Ca 0.14 0.02 -0.09 0.00 0.02 0.00 0.00 57.03 57.12 3k2e h ASP 226 Cb 0.53 0.03 -0.02 0.00 0.22 0.00 0.00 39.33 40.09 3k2e h ASP 226 CO 0.03 0.04 -0.04 0.58 -1.72 0.00 0.00 179.24 178.13 3k2e h VAL 227 N 0.12 1.27 -1.00 -1.35 2.07 -1.14 -2.52 116.25 113.69 3k2e h VAL 227 Ca 0.08 -1.13 0.08 0.00 0.82 0.00 0.00 66.70 66.55 3k2e h VAL 227 Cb 0.06 1.05 -0.07 0.00 -1.52 0.00 0.00 31.29 30.81 3k2e h VAL 227 CO -0.10 0.39 0.64 1.23 0.02 0.00 0.00 177.57 179.76 3k2e h GLY 228 N 0.71 1.56 0.80 2.17 0.00 -0.67 -0.75 103.07 106.90 3k2e h GLY 228 Ca 0.13 -0.46 0.02 0.00 0.00 0.00 0.00 47.33 47.02 3k2e h GLY 228 CO 0.03 0.28 0.04 -1.33 0.00 0.00 0.00 176.54 175.56 3k2e h GLY 229 N 1.12 0.20 1.24 4.60 0.00 -0.75 0.80 103.07 110.28 3k2e h GLY 229 Ca 0.45 -0.01 -0.10 0.00 0.00 0.00 0.00 47.33 47.67 3k2e h GLY 229 CO -0.20 -0.00 -0.10 0.00 0.00 0.00 0.00 176.54 176.23 3k2e h ALA 230 N 1.13 0.90 -0.64 3.60 0.00 -1.04 -1.72 119.26 121.49 3k2e h ALA 230 Ca 0.08 -0.33 -0.06 0.00 0.00 0.00 0.00 54.91 54.60 3k2e h ALA 230 Cb 0.07 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 3k2e h ALA 230 CO -0.11 0.64 0.18 0.00 0.00 0.00 0.00 179.25 179.96 3k2e h ALA 231 N 1.07 1.10 -0.71 0.00 0.00 -0.95 -1.32 119.26 118.45 3k2e h ALA 231 Ca 0.13 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 3k2e h ALA 231 Cb 0.62 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 3k2e h ALA 231 CO 0.04 0.61 0.38 -0.07 0.00 0.00 0.00 179.25 180.20 3k2e h LEU 232 N 0.96 0.90 0.08 0.00 3.38 -0.46 0.16 115.31 120.33 3k2e h LEU 232 Ca 0.21 -0.11 0.01 0.00 0.09 0.00 0.00 57.88 58.08 3k2e h LEU 232 Cb 0.30 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 40.78 3k2e h LEU 232 CO -0.00 0.76 -0.52 0.22 0.09 0.00 0.00 178.44 178.98 3k2e h TYR 233 N 0.99 -1.51 0.00 1.13 3.20 -0.88 -2.06 116.97 117.84 3k2e h TYR 233 Ca 0.25 0.04 -0.12 0.00 3.14 0.00 0.00 58.73 62.04 3k2e h TYR 233 Cb 0.06 0.65 -0.02 0.00 1.54 0.00 0.00 36.73 38.97 3k2e h TYR 233 CO 0.00 -0.58 -0.59 -0.07 -1.64 0.00 0.00 178.16 175.28 3k2e h LEU 234 N -0.71 0.00 0.00 2.82 3.38 -0.74 -1.51 115.31 118.56 3k2e h LEU 234 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3k2e h LEU 234 Cb 0.73 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.48 3k2e h LEU 234 CO -0.30 0.59 -1.19 0.18 0.09 0.00 0.00 178.44 177.81 3k2e n LEU 235 N -3.60 0.69 0.00 1.67 4.77 0.50 -4.61 117.00 116.42 3k2e n LEU 235 Ca -0.00 0.27 -0.22 0.00 -0.03 0.00 0.00 56.01 56.03 3k2e n LEU 235 Cb 0.64 -0.05 0.11 0.00 -2.33 0.00 0.00 43.42 41.79 3k2e n LEU 235 CO 0.41 -0.15 0.51 -1.54 -1.33 0.00 0.00 177.39 175.29 3k2e n SER 236 N -2.60 1.41 0.25 -1.43 3.41 -0.78 -4.83 113.62 109.06 3k2e n SER 236 Ca -0.01 -2.15 0.17 0.00 -0.26 0.00 0.00 58.87 56.62 3k2e n SER 236 Cb 0.55 -0.59 0.79 0.00 -0.26 0.00 0.00 64.21 64.70 3k2e n SER 236 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3k2e h ASP 237 N -0.48 0.00 -0.74 4.04 3.32 -1.84 -2.61 116.42 118.12 3k2e h ASP 237 Ca -0.31 0.00 0.11 0.00 0.02 0.00 0.00 57.03 56.85 3k2e h ASP 237 Cb 1.18 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.68 3k2e h ASP 237 CO 0.35 0.00 0.49 -0.07 -1.72 0.00 0.00 179.24 178.28 3k2e h LEU 238 N 0.00 0.54 -3.36 1.55 3.38 -1.87 -2.86 115.31 112.69 3k2e h LEU 238 Ca 0.00 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3k2e h LEU 238 Cb 0.25 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.91 3k2e h LEU 238 CO 0.00 0.31 0.00 0.61 0.09 0.00 0.00 178.44 179.45 3k2e n GLY 239 N -1.48 2.87 0.42 0.83 0.00 -0.57 -4.56 105.19 102.70 3k2e n GLY 239 Ca 0.13 -0.90 0.23 0.00 0.00 0.00 0.00 46.02 45.48 3k2e n GLY 239 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3k2e h ARG 240 N 4.11 0.07 -0.01 1.61 3.08 -1.65 -2.33 114.38 119.27 3k2e h ARG 240 Ca 0.00 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3k2e h ARG 240 Cb 1.73 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.77 3k2e h ARG 240 CO 0.37 0.05 -0.03 0.41 -1.07 0.00 0.00 179.97 179.70 3k2e n GLY 241 N -1.65 -0.47 3.16 0.04 0.00 -1.26 -4.84 105.19 100.16 3k2e n GLY 241 Ca 0.15 -0.34 -0.32 0.00 0.00 0.00 0.00 46.02 45.51 3k2e n GLY 241 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3k2e s THR 242 N -2.09 2.02 0.05 2.61 2.01 -0.88 -5.11 115.64 114.26 3k2e s THR 242 Ca 0.39 -0.95 -0.11 0.00 0.31 0.00 0.00 61.69 61.33 3k2e s THR 242 Cb 0.21 -1.79 0.01 0.00 0.01 0.00 0.00 72.50 70.94 3k2e s THR 242 CO 0.37 0.54 0.23 0.28 -0.69 0.00 0.00 174.62 175.35 3k2e s THR 243 N 0.86 0.11 0.00 -0.82 -1.32 -1.26 -4.71 115.64 108.49 3k2e s THR 243 Ca -0.06 -0.88 0.00 0.00 -1.21 0.00 0.00 61.69 59.54 3k2e s THR 243 Cb -0.15 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.84 3k2e s THR 243 CO -0.03 -0.48 0.00 0.61 -2.21 0.00 0.00 174.62 172.51 3k2e n GLY 244 N 0.50 0.44 3.88 6.08 0.00 0.10 -4.96 105.19 111.24 3k2e n GLY 244 Ca -0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.52 3k2e n GLY 244 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3k2e s GLU 245 N -0.46 3.71 -0.31 1.61 2.56 -1.25 -4.51 118.70 120.05 3k2e s GLU 245 Ca 0.00 0.09 -0.03 0.00 0.00 0.00 0.00 54.97 55.03 3k2e s GLU 245 Cb 0.00 -2.81 0.05 0.00 2.00 0.00 0.00 34.13 33.37 3k2e s GLU 245 CO 0.00 0.43 0.03 0.99 -0.56 0.00 0.00 175.26 176.15 3k2e s THR 246 N -1.66 3.20 -0.19 -1.70 2.01 -1.26 0.03 115.64 116.08 3k2e s THR 246 Ca 0.42 -1.30 -0.14 0.00 0.31 0.00 0.00 61.69 60.97 3k2e s THR 246 Cb -0.12 -2.83 -0.04 0.00 0.01 0.00 0.00 72.50 69.52 3k2e s THR 246 CO 0.22 -0.12 0.31 -0.69 -0.69 0.00 0.00 174.62 173.66 3k2e s VAL 247 N 1.30 5.28 -0.16 3.82 1.01 0.22 -4.82 120.40 127.04 3k2e s VAL 247 Ca -0.04 0.55 -0.29 0.00 0.00 0.00 0.00 61.98 62.20 3k2e s VAL 247 Cb -0.20 -3.65 -0.00 0.00 0.00 0.00 0.00 36.38 32.53 3k2e s VAL 247 CO -0.00 0.33 0.99 -1.00 0.00 0.00 0.00 175.10 175.42 3k2e s HIS 248 N 0.85 3.44 -0.63 5.22 3.76 -1.26 -0.19 115.29 126.47 3k2e s HIS 248 Ca 0.16 1.50 0.05 0.00 -0.15 0.00 0.00 55.06 56.62 3k2e s HIS 248 Cb -0.14 -3.19 0.18 0.00 1.11 0.00 0.00 32.58 30.55 3k2e s HIS 248 CO 0.05 -0.32 0.49 0.28 -0.85 0.00 0.00 174.74 174.40 3k2e n VAL 249 N 4.84 1.06 -2.09 -0.90 0.31 -0.35 -4.86 118.33 116.35 3k2e n VAL 249 Ca 0.09 -4.59 -0.00 0.00 -0.01 0.00 0.00 64.34 59.83 3k2e n VAL 249 Cb 0.48 -2.06 -0.00 0.00 -0.91 0.00 0.00 33.84 31.34 3k2e n VAL 249 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 3k2e n ASP 250 N 2.00 0.06 -1.83 4.52 5.75 -1.26 -1.04 116.55 124.76 3k2e n ASP 250 Ca 0.23 -1.72 -0.19 0.00 -0.01 0.00 0.00 54.79 53.10 3k2e n ASP 250 Cb 0.39 -0.11 -0.06 0.00 -1.03 0.00 0.00 41.12 40.31 3k2e n ASP 250 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3k2e n GLY 252 N -0.55 0.75 0.37 0.00 0.00 -1.26 -2.24 105.19 102.25 3k2e n GLY 252 Ca -0.20 0.00 0.12 0.00 0.00 0.00 0.00 46.02 45.94 3k2e n GLY 252 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3k2e h TYR 253 N 0.00 0.99 0.00 1.61 3.20 -1.76 -1.52 116.97 119.49 3k2e h TYR 253 Ca 0.00 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.90 3k2e h TYR 253 Cb 0.00 -0.31 0.00 0.00 1.54 0.00 0.00 36.73 37.96 3k2e h TYR 253 CO 0.00 0.30 0.17 1.12 -1.64 0.00 0.00 178.16 178.11 3k2e h HIS 254 N 0.78 0.00 -0.00 -3.82 2.07 -1.93 -1.82 115.15 110.42 3k2e h HIS 254 Ca 0.52 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 58.04 3k2e h HIS 254 Cb 0.77 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.75 3k2e h HIS 254 CO -0.00 0.00 -0.47 1.33 -3.07 0.00 0.00 177.93 175.72 3k2e n VAL 255 N -2.91 0.00 -3.09 6.12 0.24 -0.57 -4.92 118.33 113.20 3k2e n VAL 255 Ca -0.02 -0.02 -0.39 0.00 -2.04 0.00 0.00 64.34 61.86 3k2e n VAL 255 Cb 0.22 0.28 -0.05 0.00 -1.47 0.00 0.00 33.84 32.82 3k2e n VAL 255 CO 0.00 0.00 0.00 0.68 -2.14 0.00 0.00 176.83 175.37 3k2e s VAL 256 N -2.92 4.76 -1.53 3.34 -7.23 -0.69 -4.94 120.40 111.19 3k2e s VAL 256 Ca 0.13 1.46 0.20 0.00 -1.81 0.00 0.00 61.98 61.96 3k2e s VAL 256 Cb 0.18 -4.03 -0.09 0.00 0.56 0.00 0.00 36.38 33.00 3k2e s VAL 256 CO 0.67 0.42 0.96 0.61 -0.31 0.00 0.00 175.10 177.45 3k2e n GLY 257 N 2.28 -0.31 3.55 2.32 0.00 -1.26 -4.97 105.19 106.80 3k2e n GLY 257 Ca -0.05 -0.58 -0.16 0.00 0.00 0.00 0.00 46.02 45.23 3k2e n GLY 257 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3k2e s MET 258 N -2.53 0.93 0.10 1.61 -2.45 -1.26 -5.13 119.30 110.55 3k2e s MET 258 Ca 0.13 0.40 -0.32 0.00 -1.25 0.00 0.00 55.69 54.65 3k2e s MET 258 Cb 0.16 0.44 -0.17 0.00 1.25 0.00 0.00 34.83 36.51 3k2e s MET 258 CO 0.64 -0.25 0.75 1.17 1.05 0.00 0.00 175.02 178.37 3k2e n LYS 259 N 1.27 0.00 -1.80 4.11 4.81 -1.26 -4.85 118.16 120.45 3k2e n LYS 259 Ca -0.16 0.00 -0.41 0.00 -0.87 0.00 0.00 58.31 56.86 3k2e n LYS 259 Cb 0.57 -1.18 -0.01 0.00 0.02 0.00 0.00 35.03 34.43 3k2e n LYS 259 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 3k2e s SER 260 N -0.48 6.38 0.60 3.14 0.15 -1.26 -4.86 113.70 117.37 3k2e s SER 260 Ca 0.73 2.97 0.34 0.00 0.70 0.00 0.00 55.95 60.69 3k2e s SER 260 Cb -1.04 -2.65 1.92 0.00 -1.71 0.00 0.00 66.02 62.54 3k2e s SER 260 CO 0.53 -0.88 2.25 -0.37 1.20 0.00 0.00 173.24 175.97 3k2e h VAL 261 N 3.25 0.36 -0.02 4.45 -1.51 -1.98 -1.53 116.25 119.27 3k2e h VAL 261 Ca -0.48 -0.13 0.00 0.00 -1.23 0.00 0.00 66.70 64.86 3k2e h VAL 261 Cb 1.23 1.09 0.00 0.00 -2.13 0.00 0.00 31.29 31.47 3k2e h VAL 261 CO 0.74 0.02 0.00 0.47 -1.23 0.00 0.00 177.57 177.57 3k2e n ASP 262 N -3.55 1.23 -4.76 4.19 8.00 -1.26 -4.87 116.55 115.52 3k2e n ASP 262 Ca -0.03 -1.42 -0.33 0.00 0.71 0.00 0.00 54.79 53.72 3k2e n ASP 262 Cb 0.12 -0.00 -0.07 0.00 -0.02 0.00 0.00 41.12 41.14 3k2e n ASP 262 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3k2e s ALA 263 N -1.99 3.53 0.43 2.24 0.00 -0.58 -5.09 121.76 120.31 3k2e s ALA 263 Ca 0.40 -0.86 -0.23 0.00 0.00 0.00 0.00 51.96 51.26 3k2e s ALA 263 Cb 0.21 -1.56 -0.08 0.00 0.00 0.00 0.00 23.12 21.69 3k2e s ALA 263 CO 0.34 0.67 1.10 -1.25 0.00 0.00 0.00 175.76 176.62 3k2e s PRO 264 N -1.58 3.95 0.60 0.00 0.04 -1.26 -4.87 135.00 131.88 3k2e s PRO 264 Ca 0.21 1.61 -0.18 0.00 0.04 0.00 0.00 61.00 62.69 3k2e s PRO 264 Cb -0.12 -2.44 -0.03 0.00 0.04 0.00 0.00 34.50 31.96 3k2e s PRO 264 CO 0.12 -0.35 1.15 0.34 0.04 0.00 0.00 177.00 178.29 3k2e s ASP 265 N -1.51 5.30 0.00 6.66 -1.08 -1.26 -5.07 116.67 119.71 3k2e s ASP 265 Ca 0.61 2.19 0.00 0.00 -0.52 0.00 0.00 52.55 54.84 3k2e s ASP 265 Cb -0.24 -2.58 0.00 0.00 -1.46 0.00 0.00 42.92 38.64 3k2e s ASP 265 CO 0.30 -1.51 0.08 2.30 0.52 0.00 0.00 175.17 176.86