#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kcg s VAL 17 N 0.00 5.33 -1.33 2.52 1.01 0.04 -4.04 120.40 123.94 3kcg s VAL 17 Ca 0.00 0.44 0.00 0.00 0.00 0.00 0.00 61.98 62.42 3kcg s VAL 17 Cb 0.00 -3.56 0.00 0.00 0.00 0.00 0.00 36.38 32.82 3kcg s VAL 17 CO 0.00 0.46 0.00 0.61 0.00 0.00 0.00 175.10 176.17 3kcg n GLY 18 N 2.99 1.02 0.00 4.51 0.00 -1.25 -2.16 105.19 110.30 3kcg n GLY 18 Ca -0.14 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.48 3kcg n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kcg n GLY 19 N -1.29 1.62 3.12 -0.02 0.00 -1.26 -4.86 105.19 102.50 3kcg n GLY 19 Ca -0.14 -1.99 -0.07 0.00 0.00 0.00 0.00 46.02 43.82 3kcg n GLY 19 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3kcg s GLU 20 N 2.72 0.67 0.20 1.61 -1.05 -0.69 -4.92 118.70 117.23 3kcg s GLU 20 Ca 0.00 -1.18 -0.32 0.00 -0.15 0.00 0.00 54.97 53.32 3kcg s GLU 20 Cb 0.00 0.24 -0.12 0.00 -0.44 0.00 0.00 34.13 33.81 3kcg s GLU 20 CO 0.00 -0.15 1.75 -0.25 0.95 0.00 0.00 175.26 177.56 3kcg n ASP 21 N 0.07 4.03 -4.89 0.83 9.92 -1.26 -1.53 116.55 123.73 3kcg n ASP 21 Ca -0.14 1.05 -0.30 0.00 -0.53 0.00 0.00 54.79 54.87 3kcg n ASP 21 Cb 0.61 -1.57 0.05 0.00 -0.64 0.00 0.00 41.12 39.57 3kcg n ASP 21 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3kcg s ALA 22 N 1.40 2.92 0.19 2.24 0.00 0.25 -4.87 121.76 123.89 3kcg s ALA 22 Ca 0.76 -0.37 0.04 0.00 0.00 0.00 0.00 51.96 52.39 3kcg s ALA 22 Cb -0.50 -3.00 -0.03 0.00 0.00 0.00 0.00 23.12 19.59 3kcg s ALA 22 CO 0.33 -1.13 0.30 0.15 0.00 0.00 0.00 175.76 175.41 3kcg s LYS 23 N -5.34 3.39 0.22 0.00 1.02 -1.26 -4.86 119.74 112.91 3kcg s LYS 23 Ca 0.58 -0.70 -0.32 0.00 0.02 0.00 0.00 55.97 55.55 3kcg s LYS 23 Cb -0.11 -2.90 -0.13 0.00 -0.52 0.00 0.00 37.83 34.17 3kcg s LYS 23 CO 0.51 0.48 1.52 -2.30 -0.92 0.00 0.00 175.35 174.64 3kcg n PRO 24 N -0.90 2.25 -0.99 -1.68 -0.02 -1.26 -1.47 135.00 130.94 3kcg n PRO 24 Ca -0.08 0.81 0.00 0.00 -2.02 0.00 0.00 63.50 62.21 3kcg n PRO 24 Cb 0.55 -2.54 0.00 0.00 -0.02 0.00 0.00 33.50 31.50 3kcg n PRO 24 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kcg n GLY 25 N 2.72 0.78 0.16 -1.23 0.00 -1.26 -4.91 105.19 101.44 3kcg n GLY 25 Ca 0.13 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.12 3kcg n GLY 25 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3kcg h GLN 26 N 2.18 0.15 -2.10 1.61 4.15 -1.60 -3.33 115.11 116.17 3kcg h GLN 26 Ca 0.00 -0.10 -0.58 0.00 0.77 0.00 0.00 58.65 58.74 3kcg h GLN 26 Cb 0.02 0.01 -0.40 0.00 0.21 0.00 0.00 27.48 27.32 3kcg h GLN 26 CO 0.00 0.70 -0.92 1.19 -1.93 0.00 0.00 178.83 177.87 3kcg n PHE 27 N -3.86 1.05 0.12 3.99 3.01 -1.26 -4.97 117.46 115.55 3kcg n PHE 27 Ca -0.02 -3.77 0.05 0.00 1.01 0.00 0.00 57.45 54.72 3kcg n PHE 27 Cb 0.61 -0.40 0.26 0.00 -0.01 0.00 0.00 39.48 39.94 3kcg n PHE 27 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 3kcg n PRO 28 N 1.29 0.06 0.03 -1.08 -0.04 -1.25 -1.52 135.00 132.49 3kcg n PRO 28 Ca 0.24 0.52 0.12 0.00 -0.04 0.00 0.00 63.50 64.34 3kcg n PRO 28 Cb 0.48 -1.68 0.17 0.00 -0.04 0.00 0.00 33.50 32.43 3kcg n PRO 28 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 3kcg n TRP 29 N -1.81 0.32 -2.38 0.54 2.14 -1.03 -1.66 117.44 113.57 3kcg n TRP 29 Ca -0.00 0.09 -0.41 0.00 2.07 0.00 0.00 57.50 59.25 3kcg n TRP 29 Cb 0.04 -0.49 -0.03 0.00 -0.81 0.00 0.00 31.31 30.02 3kcg n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 3kcg s GLN 30 N -3.12 4.47 0.20 -2.67 2.00 -0.58 -0.85 119.66 119.12 3kcg s GLN 30 Ca 0.07 1.85 0.06 0.00 -2.00 0.00 0.00 55.36 55.34 3kcg s GLN 30 Cb 0.15 -3.27 -0.05 0.00 0.80 0.00 0.00 33.01 30.64 3kcg s GLN 30 CO 0.73 -0.13 -0.09 0.14 -0.50 0.00 0.00 175.29 175.44 3kcg s VAL 31 N 0.24 1.39 0.08 1.34 -7.23 -0.57 -4.35 120.40 111.30 3kcg s VAL 31 Ca 0.55 -2.11 0.08 0.00 -1.81 0.00 0.00 61.98 58.69 3kcg s VAL 31 Cb -0.32 -2.11 -0.04 0.00 0.56 0.00 0.00 36.38 34.47 3kcg s VAL 31 CO 0.35 -0.54 -0.19 0.54 -0.31 0.00 0.00 175.10 174.95 3kcg s VAL 32 N -3.19 2.72 -0.15 1.32 0.11 -0.87 -1.98 120.40 118.36 3kcg s VAL 32 Ca 0.23 -1.37 -0.04 0.00 -2.93 0.00 0.00 61.98 57.87 3kcg s VAL 32 Cb 0.02 -2.19 -0.03 0.00 -1.53 0.00 0.00 36.38 32.66 3kcg s VAL 32 CO 0.06 0.22 -0.03 -0.76 -3.33 0.00 0.00 175.10 171.26 3kcg s LEU 33 N -1.75 3.29 -0.04 2.54 1.43 -0.42 -1.78 118.68 121.94 3kcg s LEU 33 Ca 0.16 -0.11 0.06 0.00 -1.03 0.00 0.00 54.13 53.21 3kcg s LEU 33 Cb -0.10 -1.79 -0.02 0.00 0.03 0.00 0.00 46.19 44.30 3kcg s LEU 33 CO 0.07 0.18 -0.23 0.20 0.23 0.00 0.00 176.35 176.80 3kcg s ASN 34 N 0.31 3.30 0.00 2.29 0.01 -0.30 -2.08 114.94 118.48 3kcg s ASN 34 Ca -0.03 -0.42 0.00 0.00 -0.71 0.00 0.00 52.86 51.70 3kcg s ASN 34 Cb -0.14 -0.64 0.00 0.00 0.41 0.00 0.00 41.25 40.88 3kcg s ASN 34 CO 0.03 0.30 0.00 0.61 -1.51 0.00 0.00 177.10 176.53 3kcg n GLY 35 N 2.59 4.78 0.31 0.66 0.00 -1.26 -1.57 105.19 110.70 3kcg n GLY 35 Ca -0.17 -0.60 0.21 0.00 0.00 0.00 0.00 46.02 45.46 3kcg n GLY 35 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kcg h LYS 36 N 0.00 0.00 -5.08 1.61 1.57 -1.99 -3.39 116.57 109.29 3kcg h LYS 36 Ca 0.00 0.00 -0.46 0.00 -1.87 0.00 0.00 60.65 58.32 3kcg h LYS 36 Cb 0.00 0.00 -0.29 0.00 0.08 0.00 0.00 32.23 32.02 3kcg h LYS 36 CO 0.00 0.00 -0.80 0.08 -0.57 0.00 0.00 179.45 178.16 3kcg s VAL 38 N -3.96 0.98 0.46 0.50 1.01 -1.26 -5.14 120.40 112.99 3kcg s VAL 38 Ca -0.03 -0.53 -0.20 0.00 0.00 0.00 0.00 61.98 61.23 3kcg s VAL 38 Cb 0.11 -0.82 -0.10 0.00 0.00 0.00 0.00 36.38 35.57 3kcg s VAL 38 CO 0.46 0.28 0.97 -1.81 0.00 0.00 0.00 175.10 175.00 3kcg s ASP 39 N -0.26 6.79 -1.43 3.32 1.01 -1.26 -4.07 116.67 120.77 3kcg s ASP 39 Ca 0.04 1.69 -0.02 0.00 0.71 0.00 0.00 52.55 54.97 3kcg s ASP 39 Cb -0.05 -2.54 0.02 0.00 1.01 0.00 0.00 42.92 41.36 3kcg s ASP 39 CO -0.00 -0.47 0.48 0.00 0.21 0.00 0.00 175.17 175.39 3kcg n ALA 40 N -0.90 -1.93 0.48 5.23 0.00 -1.04 -4.87 120.51 117.48 3kcg n ALA 40 Ca 0.07 -0.23 0.13 0.00 0.00 0.00 0.00 53.44 53.41 3kcg n ALA 40 Cb 0.54 -1.75 0.28 0.00 0.00 0.00 0.00 19.45 18.52 3kcg n ALA 40 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3kcg h PHE 41 N -1.82 0.00 -2.99 0.00 -0.00 -1.56 -3.44 116.94 107.13 3kcg h PHE 41 Ca -0.63 0.00 0.07 0.00 -0.00 0.00 0.00 57.97 57.42 3kcg h PHE 41 Cb 1.37 0.00 -0.05 0.00 -0.00 0.00 0.00 35.95 37.27 3kcg h PHE 41 CO 0.50 0.00 0.23 0.00 -0.00 0.00 0.00 178.31 179.04 3kcg n GLY 43 N -0.46 3.56 3.83 0.00 0.00 0.69 -1.30 105.19 111.51 3kcg n GLY 43 Ca -0.04 -2.31 -0.05 0.00 0.00 0.00 0.00 46.02 43.62 3kcg n GLY 43 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3kcg s GLY 44 N -3.09 0.06 0.00 -0.02 0.00 -0.84 -3.38 107.32 100.06 3kcg s GLY 44 Ca 0.04 -0.30 0.03 0.00 0.00 0.00 0.00 44.72 44.49 3kcg s GLY 44 CO 0.03 1.00 -0.09 -0.56 0.00 0.00 0.00 173.10 173.48 3kcg s SER 45 N -3.18 1.07 -0.11 1.64 0.01 -0.25 -1.51 113.70 111.39 3kcg s SER 45 Ca 0.17 -0.21 -0.30 0.00 1.31 0.00 0.00 55.95 56.93 3kcg s SER 45 Cb -0.03 -0.10 -0.02 0.00 0.21 0.00 0.00 66.02 66.07 3kcg s SER 45 CO 0.06 0.08 1.25 -0.63 0.41 0.00 0.00 173.24 174.41 3kcg s ILE 46 N -0.34 4.23 -0.16 1.44 1.01 -0.03 -0.95 121.20 126.40 3kcg s ILE 46 Ca 0.02 1.53 -0.14 0.00 0.00 0.00 0.00 60.65 62.06 3kcg s ILE 46 Cb -0.04 -3.98 -0.23 0.00 0.01 0.00 0.00 42.46 38.22 3kcg s ILE 46 CO -0.00 -0.07 0.29 0.52 0.00 0.00 0.00 174.94 175.68 3kcg n VAL 47 N 5.03 1.66 -3.32 2.92 0.31 0.10 -1.19 118.33 123.84 3kcg n VAL 47 Ca 0.13 -0.35 -0.03 0.00 -0.01 0.00 0.00 64.34 64.08 3kcg n VAL 47 Cb 0.45 -1.89 0.01 0.00 -0.91 0.00 0.00 33.84 31.50 3kcg n VAL 47 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 3kcg n ASN 48 N -3.96 -0.88 0.13 4.52 0.23 -1.14 -4.65 115.26 109.52 3kcg n ASN 48 Ca -0.32 -1.60 0.19 0.00 -0.53 0.00 0.00 54.58 52.32 3kcg n ASN 48 Cb 0.87 1.46 0.77 0.00 -2.08 0.00 0.00 39.78 40.80 3kcg n ASN 48 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 3kcg h GLU 49 N 0.00 0.00 -0.01 -3.83 3.07 -1.96 -2.81 114.58 109.03 3kcg h GLU 49 Ca -0.13 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.73 3kcg h GLU 49 Cb 0.48 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.39 3kcg h GLU 49 CO 0.16 0.00 -0.09 1.63 -1.40 0.00 0.00 179.01 179.31 3kcg n LYS 50 N -3.84 1.45 -4.21 2.33 4.76 -1.26 -0.49 118.16 116.90 3kcg n LYS 50 Ca 0.05 -0.68 -0.16 0.00 -2.87 0.00 0.00 58.31 54.65 3kcg n LYS 50 Cb 0.48 -1.05 -0.14 0.00 -1.84 0.00 0.00 35.03 32.48 3kcg n LYS 50 CO 0.00 0.00 0.00 -1.58 -1.37 0.00 0.00 177.40 174.45 3kcg s TRP 51 N -0.94 0.59 -0.03 2.13 0.52 -1.06 -0.90 118.94 119.25 3kcg s TRP 51 Ca 0.07 -0.15 0.07 0.00 0.02 0.00 0.00 56.10 56.12 3kcg s TRP 51 Cb 0.06 -0.38 -0.02 0.00 -1.15 0.00 0.00 33.47 31.99 3kcg s TRP 51 CO 0.15 -0.01 -0.26 0.42 0.02 0.00 0.00 176.95 177.27 3kcg s ILE 52 N -0.27 2.07 -0.10 2.03 -1.09 -0.27 -0.72 121.20 122.85 3kcg s ILE 52 Ca 0.01 -1.09 -0.01 0.00 -2.23 0.00 0.00 60.65 57.33 3kcg s ILE 52 Cb -0.03 -1.72 -0.03 0.00 -1.58 0.00 0.00 42.46 39.10 3kcg s ILE 52 CO -0.00 0.58 -0.04 0.54 -1.23 0.00 0.00 174.94 174.79 3kcg s VAL 53 N -0.50 3.94 0.00 2.92 0.11 -0.13 -0.43 120.40 126.32 3kcg s VAL 53 Ca 0.06 -0.37 0.00 0.00 -2.93 0.00 0.00 61.98 58.74 3kcg s VAL 53 Cb -0.11 -2.66 0.00 0.00 -1.53 0.00 0.00 36.38 32.08 3kcg s VAL 53 CO 0.00 0.56 0.00 1.07 -3.33 0.00 0.00 175.10 173.41 3kcg n THR 54 N 2.65 0.00 -3.63 5.04 5.66 -0.23 -1.09 114.28 122.68 3kcg n THR 54 Ca -0.18 0.00 -0.35 0.00 -3.05 0.00 0.00 64.05 60.47 3kcg n THR 54 Cb 0.53 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 69.25 3kcg n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3kcg s ALA 55 N -1.60 3.76 0.34 1.79 0.00 -1.26 -0.99 121.76 123.81 3kcg s ALA 55 Ca 0.00 -0.42 0.06 0.00 0.00 0.00 0.00 51.96 51.60 3kcg s ALA 55 Cb 0.00 -2.22 0.63 0.00 0.00 0.00 0.00 23.12 21.53 3kcg s ALA 55 CO 0.00 0.58 1.86 0.00 0.00 0.00 0.00 175.76 178.19 3kcg h ALA 56 N 4.06 1.36 0.00 0.00 0.00 -1.70 -2.55 119.26 120.44 3kcg h ALA 56 Ca -0.50 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.17 3kcg h ALA 56 Cb 1.20 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.88 3kcg h ALA 56 CO 0.65 0.43 0.00 -2.39 0.00 0.00 0.00 179.25 177.94 3kcg n HIS 57 N -4.24 0.00 0.14 0.00 1.44 -1.26 -2.21 115.22 109.10 3kcg n HIS 57 Ca 0.00 0.00 0.07 0.00 -2.01 0.00 0.00 57.72 55.78 3kcg n HIS 57 Cb 0.29 -0.34 0.05 0.00 0.12 0.00 0.00 29.99 30.11 3kcg n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3kcg s VAL 59 N -3.11 2.04 -0.07 0.00 -7.23 -0.94 -5.03 120.40 106.07 3kcg s VAL 59 Ca 0.03 -2.24 -0.03 0.00 -1.81 0.00 0.00 61.98 57.94 3kcg s VAL 59 Cb 0.07 -2.40 0.04 0.00 0.56 0.00 0.00 36.38 34.65 3kcg s VAL 59 CO 0.74 -0.35 0.15 -1.61 -0.31 0.00 0.00 175.10 173.72 3kcg s GLU 60 N -3.62 0.09 0.37 4.82 2.02 -1.26 -4.98 118.70 116.14 3kcg s GLU 60 Ca 0.29 0.39 -0.28 0.00 0.02 0.00 0.00 54.97 55.39 3kcg s GLU 60 Cb 0.00 -0.18 -0.11 0.00 0.10 0.00 0.00 34.13 33.94 3kcg s GLU 60 CO 0.13 -0.17 1.45 0.25 0.02 0.00 0.00 175.26 176.94 3kcg n THR 60 N 4.27 1.97 -0.33 3.63 -2.24 -1.26 -1.52 114.28 118.80 3kcg n THR 60 Ca -0.25 -0.49 0.00 0.00 -2.27 0.00 0.00 64.05 61.03 3kcg n THR 60 Cb 0.52 -1.90 0.00 0.00 -2.10 0.00 0.00 70.33 66.85 3kcg n THR 60 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kcg n GLY 61 N 0.55 1.49 3.43 3.38 0.00 -1.26 -5.02 105.19 107.76 3kcg n GLY 61 Ca 0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 3kcg n GLY 61 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kcg s VAL 62 N -3.02 4.16 0.57 1.61 1.01 -0.58 -5.08 120.40 119.08 3kcg s VAL 62 Ca 0.00 -0.22 -0.21 0.00 0.00 0.00 0.00 61.98 61.55 3kcg s VAL 62 Cb 0.00 -2.94 -0.04 0.00 0.00 0.00 0.00 36.38 33.40 3kcg s VAL 62 CO 0.00 0.36 1.34 -0.54 0.00 0.00 0.00 175.10 176.25 3kcg s LYS 63 N 1.56 3.01 -0.07 2.72 1.02 -1.26 -4.73 119.74 121.99 3kcg s LYS 63 Ca 0.06 2.18 -0.05 0.00 0.02 0.00 0.00 55.97 58.18 3kcg s LYS 63 Cb -0.15 -2.16 0.02 0.00 -0.52 0.00 0.00 37.83 35.03 3kcg s LYS 63 CO 0.03 -1.28 0.17 0.42 -0.92 0.00 0.00 175.35 173.77 3kcg s ILE 64 N -1.33 -0.01 -0.09 2.17 1.01 -1.26 -4.79 121.20 116.90 3kcg s ILE 64 Ca 0.74 0.04 0.02 0.00 0.00 0.00 0.00 60.65 61.45 3kcg s ILE 64 Cb -0.39 -0.25 -0.02 0.00 0.01 0.00 0.00 42.46 41.81 3kcg s ILE 64 CO 0.45 0.02 -0.15 0.28 0.00 0.00 0.00 174.94 175.54 3kcg s THR 65 N 0.35 2.92 -0.11 2.92 -1.32 -0.61 -1.88 115.64 117.92 3kcg s THR 65 Ca -0.02 -0.74 -0.02 0.00 -1.21 0.00 0.00 61.69 59.70 3kcg s THR 65 Cb -0.04 -2.17 -0.03 0.00 -1.51 0.00 0.00 72.50 68.75 3kcg s THR 65 CO -0.01 0.56 -0.02 -0.69 -2.21 0.00 0.00 174.62 172.24 3kcg s VAL 66 N -0.17 4.06 -0.19 5.08 1.01 0.62 -1.14 120.40 129.67 3kcg s VAL 66 Ca -0.01 -0.33 0.01 0.00 0.00 0.00 0.00 61.98 61.65 3kcg s VAL 66 Cb -0.13 -2.72 0.04 0.00 0.00 0.00 0.00 36.38 33.56 3kcg s VAL 66 CO 0.03 0.56 -0.12 -0.69 0.00 0.00 0.00 175.10 174.89 3kcg s VAL 67 N -0.44 1.66 0.31 2.92 1.01 -0.73 -0.51 120.40 124.62 3kcg s VAL 67 Ca 0.07 -0.94 0.06 0.00 0.00 0.00 0.00 61.98 61.17 3kcg s VAL 67 Cb -0.12 -1.69 -0.01 0.00 0.00 0.00 0.00 36.38 34.56 3kcg s VAL 67 CO 0.02 0.24 0.45 0.00 0.00 0.00 0.00 175.10 175.82 3kcg s ALA 68 N 1.40 4.13 -1.44 5.51 0.00 0.14 -2.06 121.76 129.44 3kcg s ALA 68 Ca 0.00 -1.37 0.00 0.00 0.00 0.00 0.00 51.96 50.59 3kcg s ALA 68 Cb -0.15 -1.72 0.00 0.00 0.00 0.00 0.00 23.12 21.25 3kcg s ALA 68 CO -0.09 0.03 0.00 0.41 0.00 0.00 0.00 175.76 176.11 3kcg n GLY 69 N -1.60 0.49 3.85 0.00 0.00 -1.21 -1.04 105.19 105.69 3kcg n GLY 69 Ca -0.03 -0.27 -0.34 0.00 0.00 0.00 0.00 46.02 45.39 3kcg n GLY 69 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3kcg s GLU 70 N -4.16 3.91 0.16 1.61 2.56 -1.26 -3.21 118.70 118.31 3kcg s GLU 70 Ca 0.00 0.41 0.00 0.00 0.00 0.00 0.00 54.97 55.38 3kcg s GLU 70 Cb 0.00 -2.83 0.00 0.00 2.00 0.00 0.00 34.13 33.30 3kcg s GLU 70 CO 0.00 0.42 0.00 1.58 -0.56 0.00 0.00 175.26 176.70 3kcg n HIS 71 N 0.48 -1.22 -3.85 5.30 -0.00 -1.26 -4.94 115.22 109.73 3kcg n HIS 71 Ca -0.03 0.22 -0.36 0.00 -0.00 0.00 0.00 57.72 57.54 3kcg n HIS 71 Cb 0.52 0.40 -0.13 0.00 -0.00 0.00 0.00 29.99 30.78 3kcg n HIS 71 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.34 177.55 3kcg s ASN 72 N -4.93 4.83 0.00 0.26 3.84 -1.26 -1.51 114.94 116.17 3kcg s ASN 72 Ca 0.00 -0.86 0.16 0.00 0.21 0.00 0.00 52.86 52.36 3kcg s ASN 72 Cb 0.00 -1.78 0.94 0.00 -0.55 0.00 0.00 41.25 39.85 3kcg s ASN 72 CO 0.00 -0.19 1.35 2.30 -2.79 0.00 0.00 177.10 177.77 3kcg n ILE 73 N 4.77 0.00 -0.29 -5.21 -5.35 -0.33 -2.46 119.36 110.49 3kcg n ILE 73 Ca -0.15 0.00 0.01 0.00 -0.27 0.00 0.00 62.75 62.35 3kcg n ILE 73 Cb 0.47 -0.69 0.02 0.00 -1.74 0.00 0.00 39.64 37.70 3kcg n ILE 73 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 3kcg n GLU 74 N -0.96 2.42 -4.15 6.28 1.02 -1.26 -5.04 120.64 118.95 3kcg n GLU 74 Ca 0.12 -1.56 -0.10 0.00 -0.02 0.00 0.00 57.16 55.60 3kcg n GLU 74 Cb 0.05 -1.02 -0.10 0.00 -0.02 0.00 0.00 31.44 30.35 3kcg n GLU 74 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 3kcg s GLU 75 N -1.17 0.77 -0.29 3.49 2.02 -1.03 -5.14 118.70 117.35 3kcg s GLU 75 Ca 0.05 -1.29 -0.11 0.00 0.02 0.00 0.00 54.97 53.63 3kcg s GLU 75 Cb 0.04 -0.09 -0.04 0.00 0.10 0.00 0.00 34.13 34.14 3kcg s GLU 75 CO 0.00 -0.04 0.18 0.99 0.02 0.00 0.00 175.26 176.42 3kcg s THR 76 N -3.67 5.19 -1.56 3.63 2.01 -1.26 -4.73 115.64 115.25 3kcg s THR 76 Ca 0.10 0.07 0.19 0.00 0.31 0.00 0.00 61.69 62.36 3kcg s THR 76 Cb 0.06 -3.50 -0.05 0.00 0.01 0.00 0.00 72.50 69.02 3kcg s THR 76 CO -0.06 0.22 0.93 -0.62 -0.69 0.00 0.00 174.62 174.39 3kcg n GLU 77 N 5.05 1.35 -1.23 4.92 4.71 -1.26 -4.97 120.64 129.21 3kcg n GLU 77 Ca -0.14 -0.71 -0.08 0.00 -0.01 0.00 0.00 57.16 56.22 3kcg n GLU 77 Cb 0.52 -1.37 -0.03 0.00 -1.01 0.00 0.00 31.44 29.54 3kcg n GLU 77 CO 0.00 0.00 0.00 0.72 0.09 0.00 0.00 177.13 177.94 3kcg n HIS 78 N -0.37 0.00 0.17 -0.32 8.25 -1.26 -4.80 115.22 116.89 3kcg n HIS 78 Ca 0.07 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.55 3kcg n HIS 78 Cb 0.38 -1.89 -0.01 0.00 1.12 0.00 0.00 29.99 29.58 3kcg n HIS 78 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 3kcg n THR 79 N -2.54 0.00 -2.36 1.59 -2.24 -1.26 -5.04 114.28 102.42 3kcg n THR 79 Ca -0.08 -0.43 -0.41 0.00 -2.27 0.00 0.00 64.05 60.87 3kcg n THR 79 Cb 0.37 1.02 -0.04 0.00 -2.10 0.00 0.00 70.33 69.58 3kcg n THR 79 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3kcg s GLU 80 N -1.16 4.54 -0.17 -0.78 8.01 -1.20 -4.33 118.70 123.61 3kcg s GLU 80 Ca 0.02 1.93 -0.00 0.00 0.01 0.00 0.00 54.97 56.93 3kcg s GLU 80 Cb 0.03 -3.17 0.04 0.00 -4.31 0.00 0.00 34.13 26.72 3kcg s GLU 80 CO 0.13 0.05 -0.06 -0.65 0.01 0.00 0.00 175.26 174.74 3kcg s GLN 81 N -1.32 1.54 -0.15 1.61 -0.21 -0.20 -4.98 119.66 115.94 3kcg s GLN 81 Ca 0.47 -0.54 -0.08 0.00 0.02 0.00 0.00 55.36 55.23 3kcg s GLN 81 Cb -0.34 -2.03 -0.04 0.00 1.00 0.00 0.00 33.01 31.59 3kcg s GLN 81 CO 0.43 -0.41 0.12 0.21 -2.12 0.00 0.00 175.29 173.53 3kcg s LYS 82 N 1.60 3.75 0.03 2.91 2.36 -1.26 -0.68 119.74 128.45 3kcg s LYS 82 Ca 0.01 -0.19 0.01 0.00 -2.55 0.00 0.00 55.97 53.25 3kcg s LYS 82 Cb -0.15 -3.26 -0.02 0.00 -1.05 0.00 0.00 37.83 33.34 3kcg s LYS 82 CO -0.08 0.56 -0.06 1.03 1.55 0.00 0.00 175.35 178.35 3kcg s ARG 83 N -0.39 0.44 -0.06 4.03 1.81 0.33 -4.98 118.95 120.12 3kcg s ARG 83 Ca 0.11 -0.70 -0.10 0.00 -1.72 0.00 0.00 55.73 53.33 3kcg s ARG 83 Cb -0.12 -0.13 -0.05 0.00 -0.45 0.00 0.00 34.95 34.20 3kcg s ARG 83 CO 0.01 0.01 0.25 1.21 -0.68 0.00 0.00 175.30 176.11 3kcg s ASN 84 N -1.52 6.56 -0.07 0.23 3.04 -1.26 -0.27 114.94 121.64 3kcg s ASN 84 Ca -0.12 0.67 -0.25 0.00 0.04 0.00 0.00 52.86 53.20 3kcg s ASN 84 Cb -0.10 -2.14 -0.03 0.00 -1.54 0.00 0.00 41.25 37.44 3kcg s ASN 84 CO -0.00 0.37 0.78 -0.69 -3.04 0.00 0.00 177.10 174.51 3kcg s VAL 85 N -1.07 4.98 -0.97 -5.21 1.01 -0.79 -0.97 120.40 117.39 3kcg s VAL 85 Ca 0.19 1.60 0.11 0.00 0.00 0.00 0.00 61.98 63.88 3kcg s VAL 85 Cb -0.14 -4.11 -0.01 0.00 0.00 0.00 0.00 36.38 32.12 3kcg s VAL 85 CO 0.09 0.19 0.65 2.30 0.00 0.00 0.00 175.10 178.33 3kcg n ILE 86 N 4.00 0.00 -3.68 2.22 -5.35 0.37 -4.74 119.36 112.18 3kcg n ILE 86 Ca 0.01 -0.38 -0.10 0.00 -0.27 0.00 0.00 62.75 62.02 3kcg n ILE 86 Cb 0.51 1.12 -0.10 0.00 -1.74 0.00 0.00 39.64 39.43 3kcg n ILE 86 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 3kcg s ARG 87 N -1.48 0.45 -0.16 6.28 6.06 -1.22 -4.97 118.95 123.91 3kcg s ARG 87 Ca 0.09 0.87 0.01 0.00 -2.50 0.00 0.00 55.73 54.20 3kcg s ARG 87 Cb 0.09 0.01 0.02 0.00 0.06 0.00 0.00 34.95 35.12 3kcg s ARG 87 CO 0.29 -0.16 -0.19 0.42 -2.50 0.00 0.00 175.30 173.16 3kcg s ILE 88 N 1.44 1.91 -0.45 4.11 1.01 -1.26 -1.09 121.20 126.87 3kcg s ILE 88 Ca -0.10 -0.86 0.03 0.00 0.00 0.00 0.00 60.65 59.73 3kcg s ILE 88 Cb -0.08 -1.74 0.12 0.00 0.01 0.00 0.00 42.46 40.78 3kcg s ILE 88 CO -0.14 0.52 0.20 -0.63 0.00 0.00 0.00 174.94 174.88 3kcg s ILE 89 N 1.24 2.24 0.57 2.92 1.01 0.64 -4.89 121.20 124.93 3kcg s ILE 89 Ca 0.02 -2.87 -0.17 0.00 0.00 0.00 0.00 60.65 57.63 3kcg s ILE 89 Cb -0.13 -2.58 -0.04 0.00 0.01 0.00 0.00 42.46 39.71 3kcg s ILE 89 CO -0.10 -0.76 1.08 -2.84 0.00 0.00 0.00 174.94 172.32 3kcg s PRO 90 N 0.19 3.33 0.45 2.79 0.02 -1.26 -0.78 135.00 139.74 3kcg s PRO 90 Ca 0.15 1.37 -0.25 0.00 0.02 0.00 0.00 61.00 62.29 3kcg s PRO 90 Cb -0.24 -2.02 -0.08 0.00 0.02 0.00 0.00 34.50 32.18 3kcg s PRO 90 CO -0.03 -0.83 1.36 1.58 -0.33 0.00 0.00 177.00 178.75 3kcg n HIS 91 N -1.72 2.42 0.30 6.54 -0.00 -0.41 -4.85 115.22 117.51 3kcg n HIS 91 Ca 0.10 0.46 0.18 0.00 0.46 0.00 0.00 57.72 58.92 3kcg n HIS 91 Cb 0.52 -2.41 1.02 0.00 -0.12 0.00 0.00 29.99 28.99 3kcg n HIS 91 CO 0.00 0.00 0.00 1.12 0.46 0.00 0.00 176.34 177.92 3kcg h HIS 92 N 2.10 0.00 -0.00 1.57 2.07 -1.92 -1.06 115.15 117.91 3kcg h HIS 92 Ca -0.50 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.02 3kcg h HIS 92 Cb 1.28 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.26 3kcg h HIS 92 CO 0.48 0.00 -0.44 0.09 -3.07 0.00 0.00 177.93 174.99 3kcg n ASN 93 N -3.51 0.56 -4.73 3.10 3.02 -1.26 -4.89 115.26 107.56 3kcg n ASN 93 Ca -0.02 -0.32 -0.42 0.00 -0.03 0.00 0.00 54.58 53.79 3kcg n ASN 93 Cb 0.12 0.20 -0.03 0.00 -0.61 0.00 0.00 39.78 39.47 3kcg n ASN 93 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 3kcg s TYR 94 N -2.92 3.07 0.34 3.10 5.04 -0.40 -4.91 117.35 120.67 3kcg s TYR 94 Ca 0.13 0.79 -0.07 0.00 -2.44 0.00 0.00 57.07 55.48 3kcg s TYR 94 Cb 0.18 -3.86 0.01 0.00 0.35 0.00 0.00 41.96 38.64 3kcg s TYR 94 CO 0.66 -3.07 0.55 1.21 -1.34 0.00 0.00 175.55 173.57 3kcg s ASN 95 N 0.91 0.53 0.00 4.32 3.84 -1.26 -4.96 114.94 118.31 3kcg s ASN 95 Ca 0.66 -1.31 0.00 0.00 0.21 0.00 0.00 52.86 52.42 3kcg s ASN 95 Cb -0.42 0.70 0.00 0.00 -0.55 0.00 0.00 41.25 40.97 3kcg s ASN 95 CO 0.35 -1.37 0.00 0.00 -2.79 0.00 0.00 177.10 173.29 3kcg n ALA 95 N -0.53 0.00 -1.43 1.71 0.00 -1.26 -2.77 120.51 116.23 3kcg n ALA 95 Ca -0.02 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.40 3kcg n ALA 95 Cb 0.61 0.00 0.20 0.00 0.00 0.00 0.00 19.45 20.26 3kcg n ALA 95 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3kcg n ILE 96 N 0.00 2.50 0.00 0.00 2.08 -1.26 -4.96 119.36 117.72 3kcg n ILE 96 Ca 0.00 -2.73 0.00 0.00 0.56 0.00 0.00 62.75 60.58 3kcg n ILE 96 Cb 0.00 -0.31 0.00 0.00 -0.75 0.00 0.00 39.64 38.58 3kcg n ILE 96 CO 0.00 0.00 0.00 -0.46 0.56 0.00 0.00 176.55 176.65 3kcg n ASN 97 N -1.09 0.00 0.00 4.38 0.23 -1.12 -4.94 115.26 112.72 3kcg n ASN 97 Ca 0.31 0.00 0.11 0.00 -0.53 0.00 0.00 54.58 54.47 3kcg n ASN 97 Cb 0.99 0.00 0.63 0.00 -2.08 0.00 0.00 39.78 39.32 3kcg n ASN 97 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 3kcg n LYS 98 N 0.00 0.80 0.00 -3.83 5.02 -1.26 -4.06 118.16 114.82 3kcg n LYS 98 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3kcg n LYS 98 Cb 0.00 -1.41 0.00 0.00 -0.02 0.00 0.00 35.03 33.60 3kcg n LYS 98 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 3kcg n TYR 99 N -0.91 0.00 -3.09 2.13 4.02 -1.26 -4.59 117.16 113.46 3kcg n TYR 99 Ca 0.16 -0.00 -0.39 0.00 -0.01 0.00 0.00 57.90 57.65 3kcg n TYR 99 Cb 0.07 -0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 39.34 3kcg n TYR 99 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 176.86 177.06 3kcg s ASN 100 N -0.01 7.13 -1.10 7.72 2.47 -1.26 -3.33 114.94 126.56 3kcg s ASN 100 Ca 0.00 1.35 -0.05 0.00 0.42 0.00 0.00 52.86 54.58 3kcg s ASN 100 Cb 0.00 -2.42 0.01 0.00 -1.45 0.00 0.00 41.25 37.38 3kcg s ASN 100 CO 0.00 0.09 0.60 1.41 -3.72 0.00 0.00 177.10 175.48 3kcg n HIS 101 N 2.57 -1.70 -2.20 0.43 8.25 -1.26 -4.52 115.22 116.79 3kcg n HIS 101 Ca -0.05 0.52 -0.38 0.00 -0.26 0.00 0.00 57.72 57.55 3kcg n HIS 101 Cb 0.50 -3.75 -0.03 0.00 1.12 0.00 0.00 29.99 27.84 3kcg n HIS 101 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 3kcg n ASP 102 N -1.56 3.99 -3.67 0.41 2.03 -1.21 -4.49 116.55 112.04 3kcg n ASP 102 Ca -0.05 -2.82 -0.14 0.00 0.52 0.00 0.00 54.79 52.30 3kcg n ASP 102 Cb 0.57 -1.69 -0.08 0.00 -0.72 0.00 0.00 41.12 39.20 3kcg n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 3kcg s ILE 103 N 6.60 0.01 0.08 5.18 2.07 -1.26 -3.95 121.20 129.92 3kcg s ILE 103 Ca 0.59 -0.06 -0.12 0.00 -1.41 0.00 0.00 60.65 59.65 3kcg s ILE 103 Cb 0.04 -0.78 0.01 0.00 0.13 0.00 0.00 42.46 41.87 3kcg s ILE 103 CO 0.09 -0.03 0.28 0.00 -1.91 0.00 0.00 174.94 173.36 3kcg s ALA 104 N -0.11 -0.54 0.00 1.50 0.00 -0.16 -1.28 121.76 121.17 3kcg s ALA 104 Ca -0.03 -0.28 0.08 0.00 0.00 0.00 0.00 51.96 51.73 3kcg s ALA 104 Cb -0.03 0.48 -0.02 0.00 0.00 0.00 0.00 23.12 23.55 3kcg s ALA 104 CO 0.02 -0.51 -0.26 -0.51 0.00 0.00 0.00 175.76 174.51 3kcg s LEU 105 N -2.59 2.12 -0.10 0.00 1.43 0.04 -1.07 118.68 118.51 3kcg s LEU 105 Ca 0.01 -0.51 0.04 0.00 -1.03 0.00 0.00 54.13 52.64 3kcg s LEU 105 Cb 0.02 -1.33 0.00 0.00 0.03 0.00 0.00 46.19 44.92 3kcg s LEU 105 CO -0.09 0.30 -0.23 -0.76 0.23 0.00 0.00 176.35 175.81 3kcg s LEU 106 N -0.85 2.05 -0.14 1.79 1.43 0.43 -0.26 118.68 123.13 3kcg s LEU 106 Ca 0.11 -0.54 -0.11 0.00 -1.03 0.00 0.00 54.13 52.56 3kcg s LEU 106 Cb -0.10 -1.36 -0.05 0.00 0.03 0.00 0.00 46.19 44.72 3kcg s LEU 106 CO 0.00 0.14 0.22 -0.70 0.23 0.00 0.00 176.35 176.24 3kcg s GLU 107 N 0.44 3.97 0.23 1.70 2.12 -0.25 -1.11 118.70 125.80 3kcg s GLU 107 Ca -0.17 -0.01 -0.09 0.00 0.36 0.00 0.00 54.97 55.06 3kcg s GLU 107 Cb -0.17 -3.33 -0.07 0.00 0.26 0.00 0.00 34.13 30.81 3kcg s GLU 107 CO 0.07 0.46 0.55 -0.51 -0.54 0.00 0.00 175.26 175.29 3kcg s LEU 108 N -0.18 4.16 0.01 2.70 1.43 -0.08 -0.48 118.68 126.25 3kcg s LEU 108 Ca 0.15 0.90 -0.25 0.00 -1.03 0.00 0.00 54.13 53.89 3kcg s LEU 108 Cb -0.13 -3.66 -0.18 0.00 0.03 0.00 0.00 46.19 42.25 3kcg s LEU 108 CO 0.03 -0.08 1.34 -2.24 0.23 0.00 0.00 176.35 175.64 3kcg h ASP 109 N 2.49 -0.16 -4.19 2.29 2.03 -1.40 -3.44 116.42 114.05 3kcg h ASP 109 Ca -0.47 -0.26 -0.69 0.00 -0.73 0.00 0.00 57.03 54.88 3kcg h ASP 109 Cb 1.17 0.04 -0.26 0.00 -0.83 0.00 0.00 39.33 39.45 3kcg h ASP 109 CO 0.69 0.19 -0.82 -0.70 -1.03 0.00 0.00 179.24 177.57 3kcg s GLU 110 N -4.79 2.42 0.56 4.15 2.56 -1.26 -5.08 118.70 117.26 3kcg s GLU 110 Ca -0.15 -0.79 -0.21 0.00 0.00 0.00 0.00 54.97 53.82 3kcg s GLU 110 Cb 0.03 -2.26 -0.04 0.00 2.00 0.00 0.00 34.13 33.86 3kcg s GLU 110 CO 0.61 0.56 1.33 -1.25 -0.56 0.00 0.00 175.26 175.95 3kcg s PRO 111 N -0.58 3.06 0.63 4.30 0.04 -1.26 -4.92 135.00 136.26 3kcg s PRO 111 Ca 0.08 2.16 -0.14 0.00 0.04 0.00 0.00 61.00 63.14 3kcg s PRO 111 Cb -0.11 -2.17 -0.02 0.00 0.04 0.00 0.00 34.50 32.23 3kcg s PRO 111 CO 0.01 -1.23 1.06 -0.51 0.04 0.00 0.00 177.00 176.36 3kcg s LEU 112 N -3.68 3.38 -0.37 -3.56 1.43 0.36 -5.01 118.68 111.24 3kcg s LEU 112 Ca 0.73 1.76 -0.11 0.00 -1.03 0.00 0.00 54.13 55.48 3kcg s LEU 112 Cb -0.39 -4.52 0.02 0.00 0.03 0.00 0.00 46.19 41.33 3kcg s LEU 112 CO 0.45 -1.26 0.20 -0.69 0.23 0.00 0.00 176.35 175.28 3kcg s VAL 113 N -2.64 4.60 0.27 -1.59 1.01 -1.26 -4.81 120.40 115.98 3kcg s VAL 113 Ca 0.62 -0.79 -0.30 0.00 0.00 0.00 0.00 61.98 61.51 3kcg s VAL 113 Cb -0.15 -3.53 -0.10 0.00 0.00 0.00 0.00 36.38 32.59 3kcg s VAL 113 CO 0.43 -0.19 1.33 -0.76 0.00 0.00 0.00 175.10 175.91 3kcg s LEU 114 N 1.57 4.42 0.00 3.92 1.43 -1.26 -4.80 118.68 123.96 3kcg s LEU 114 Ca 0.02 2.58 0.00 0.00 -1.03 0.00 0.00 54.13 55.70 3kcg s LEU 114 Cb -0.19 -3.63 0.00 0.00 0.03 0.00 0.00 46.19 42.40 3kcg s LEU 114 CO 0.07 -0.56 0.00 -0.46 0.23 0.00 0.00 176.35 175.63 3kcg n ASN 115 N 1.78 0.00 0.32 2.29 0.23 -0.29 -4.97 115.26 114.62 3kcg n ASN 115 Ca 0.04 -0.85 0.20 0.00 -0.53 0.00 0.00 54.58 53.43 3kcg n ASN 115 Cb 0.42 0.00 1.07 0.00 -2.08 0.00 0.00 39.78 39.18 3kcg n ASN 115 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 3kcg h SER 116 N 0.00 0.00 -0.01 0.53 0.02 -1.99 -2.40 113.55 109.70 3kcg h SER 116 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3kcg h SER 116 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 3kcg h SER 116 CO 0.00 0.01 -0.46 -1.22 -1.14 0.00 0.00 176.83 174.02 3kcg n TYR 117 N -3.35 0.00 -3.55 3.45 4.01 -1.26 -4.74 117.16 111.73 3kcg n TYR 117 Ca -0.03 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.42 3kcg n TYR 117 Cb 0.10 0.00 -0.14 0.00 -0.31 0.00 0.00 39.34 38.99 3kcg n TYR 117 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 3kcg s VAL 118 N -2.11 0.19 0.00 -0.72 1.01 -0.90 -3.35 120.40 114.52 3kcg s VAL 118 Ca 0.12 -1.24 0.00 0.00 0.00 0.00 0.00 61.98 60.86 3kcg s VAL 118 Cb 0.13 -1.16 -0.00 0.00 0.00 0.00 0.00 36.38 35.35 3kcg s VAL 118 CO 0.49 -0.82 -0.01 -0.89 0.00 0.00 0.00 175.10 173.87 3kcg s THR 119 N 1.61 0.09 0.79 3.92 2.01 -0.66 -1.13 115.64 122.26 3kcg s THR 119 Ca 0.13 -0.13 -0.11 0.00 0.31 0.00 0.00 61.69 61.89 3kcg s THR 119 Cb -0.19 -0.10 0.07 0.00 0.01 0.00 0.00 72.50 72.29 3kcg s THR 119 CO -0.21 -0.03 1.09 -2.84 -0.69 0.00 0.00 174.62 171.95 3kcg s PRO 120 N -0.16 2.12 0.09 4.92 0.02 -1.26 -2.47 135.00 138.27 3kcg s PRO 120 Ca -0.01 1.16 -0.12 0.00 0.02 0.00 0.00 61.00 62.05 3kcg s PRO 120 Cb -0.01 -1.88 -0.06 0.00 0.02 0.00 0.00 34.50 32.56 3kcg s PRO 120 CO -0.00 -1.73 0.45 -1.50 -0.33 0.00 0.00 177.00 173.88 3kcg s ILE 121 N -2.90 5.02 0.42 2.83 1.10 -0.34 -4.78 121.20 122.56 3kcg s ILE 121 Ca 0.62 0.60 -0.22 0.00 -0.51 0.00 0.00 60.65 61.14 3kcg s ILE 121 Cb -0.17 -3.68 -0.10 0.00 0.15 0.00 0.00 42.46 38.66 3kcg s ILE 121 CO 0.56 0.30 0.98 0.00 -2.11 0.00 0.00 174.94 174.68 3kcg s ILE 123 N -1.97 0.76 0.86 0.00 1.01 -1.26 -0.85 121.20 119.74 3kcg s ILE 123 Ca 0.61 -0.57 -0.10 0.00 0.00 0.00 0.00 60.65 60.59 3kcg s ILE 123 Cb -0.14 -1.12 0.17 0.00 0.01 0.00 0.00 42.46 41.37 3kcg s ILE 123 CO 0.18 -0.06 1.19 0.00 0.00 0.00 0.00 174.94 176.25 3kcg s ALA 124 N 1.76 2.84 1.05 9.38 0.00 -1.26 -5.05 121.76 130.48 3kcg s ALA 124 Ca -0.00 -1.39 -0.15 0.00 0.00 0.00 0.00 51.96 50.42 3kcg s ALA 124 Cb -0.16 -2.48 0.21 0.00 0.00 0.00 0.00 23.12 20.69 3kcg s ALA 124 CO -0.07 -2.01 1.12 0.16 0.00 0.00 0.00 175.76 174.95 3kcg s ASP 125 N -4.82 2.22 0.30 0.00 1.47 -1.26 -4.67 116.67 109.91 3kcg s ASP 125 Ca 0.70 0.89 -0.02 0.00 1.18 0.00 0.00 52.55 55.31 3kcg s ASP 125 Cb -0.05 -1.36 0.45 0.00 -0.34 0.00 0.00 42.92 41.62 3kcg s ASP 125 CO 0.49 -3.35 1.97 0.07 0.68 0.00 0.00 175.17 175.03 3kcg h LYS 126 N -2.05 1.08 0.54 2.11 2.10 -1.96 -0.71 116.57 117.67 3kcg h LYS 126 Ca -0.50 -0.06 -0.02 0.00 -2.00 0.00 0.00 60.65 58.06 3kcg h LYS 126 Cb 1.31 -0.24 -0.00 0.00 -0.90 0.00 0.00 32.23 32.40 3kcg h LYS 126 CO 0.50 0.71 -0.32 0.93 -2.00 0.00 0.00 179.45 179.27 3kcg h GLU 127 N 1.11 -0.78 0.00 0.07 3.07 -1.91 -2.62 114.58 113.52 3kcg h GLU 127 Ca 0.30 0.05 -0.11 0.00 -0.50 0.00 0.00 59.36 59.11 3kcg h GLU 127 Cb -0.12 0.18 -0.02 0.00 -0.84 0.00 0.00 28.75 27.95 3kcg h GLU 127 CO -0.07 -0.52 -0.51 1.88 -1.40 0.00 0.00 179.01 178.39 3kcg h TYR 128 N -0.81 0.00 -0.69 4.33 -1.99 -1.89 -1.95 116.97 113.97 3kcg h TYR 128 Ca -0.06 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.66 3kcg h TYR 128 Cb 0.66 0.00 -0.03 0.00 2.00 0.00 0.00 36.73 39.36 3kcg h TYR 128 CO -0.09 0.51 0.40 1.15 -0.00 0.00 0.00 178.16 180.14 3kcg h THR 129 N 0.00 1.20 -0.39 -2.88 2.02 -1.06 0.21 112.91 112.02 3kcg h THR 129 Ca -0.01 -0.46 -0.13 0.00 0.77 0.00 0.00 66.41 66.58 3kcg h THR 129 Cb 0.96 0.27 -0.01 0.00 -1.74 0.00 0.00 68.15 67.63 3kcg h THR 129 CO 0.07 0.21 -0.28 -1.13 0.37 0.00 0.00 175.52 174.76 3kcg h ASN 129 N 0.94 0.85 -0.55 4.18 -1.24 -1.31 -0.84 115.58 117.60 3kcg h ASN 129 Ca 0.25 -0.33 -0.03 0.00 0.71 0.00 0.00 56.30 56.90 3kcg h ASN 129 Cb -0.01 -0.23 -0.02 0.00 0.73 0.00 0.00 38.32 38.78 3kcg h ASN 129 CO -0.04 1.07 0.25 0.40 -1.29 0.00 0.00 177.43 177.81 3kcg h ILE 129 N 0.70 1.21 -0.53 2.57 2.04 -0.70 -1.81 117.51 120.99 3kcg h ILE 129 Ca 0.08 -0.63 -0.09 0.00 1.00 0.00 0.00 64.86 65.23 3kcg h ILE 129 Cb 0.82 0.60 -0.02 0.00 -0.74 0.00 0.00 36.82 37.47 3kcg h ILE 129 CO 0.07 0.25 -0.01 -0.26 0.00 0.00 0.00 178.15 178.19 3kcg h PHE 130 N 0.75 0.98 -0.80 1.37 0.04 -0.40 -2.74 116.94 116.14 3kcg h PHE 130 Ca 0.19 -0.16 -0.02 0.00 2.80 0.00 0.00 57.97 60.78 3kcg h PHE 130 Cb 0.16 -0.26 -0.04 0.00 2.20 0.00 0.00 35.95 38.01 3kcg h PHE 130 CO 0.00 0.89 0.43 1.25 -0.60 0.00 0.00 178.31 180.29 3kcg h LEU 131 N 0.84 1.00 0.00 1.54 5.85 -0.80 -1.91 115.31 121.83 3kcg h LEU 131 Ca 0.16 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.77 3kcg h LEU 131 Cb 0.51 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.29 3kcg h LEU 131 CO 0.03 0.82 0.00 0.29 -0.34 0.00 0.00 178.44 179.23 3kcg n LYS 132 N -4.41 0.83 0.29 1.25 5.02 -0.71 -1.95 118.16 118.48 3kcg n LYS 132 Ca 0.08 0.00 0.15 0.00 -2.02 0.00 0.00 58.31 56.52 3kcg n LYS 132 Cb 0.10 -1.36 0.86 0.00 -0.02 0.00 0.00 35.03 34.60 3kcg n LYS 132 CO 0.00 0.00 0.00 0.74 -0.52 0.00 0.00 177.40 177.62 3kcg h PHE 133 N 0.00 0.00 0.00 2.13 -1.00 -1.20 -3.46 116.94 113.41 3kcg h PHE 133 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 3kcg h PHE 133 Cb 0.00 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.56 3kcg h PHE 133 CO 0.00 0.06 0.00 0.41 -1.61 0.00 0.00 178.31 177.17 3kcg n GLY 134 N -0.94 0.75 2.86 -1.45 0.00 -0.82 -5.05 105.19 100.53 3kcg n GLY 134 Ca -0.02 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.84 3kcg n GLY 134 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3kcg s SER 135 N -3.00 0.58 0.27 1.61 0.15 -1.26 -1.38 113.70 110.66 3kcg s SER 135 Ca 0.00 0.34 0.02 0.00 0.70 0.00 0.00 55.95 57.01 3kcg s SER 135 Cb 0.00 0.27 -0.05 0.00 -1.71 0.00 0.00 66.02 64.53 3kcg s SER 135 CO 0.00 -0.23 0.07 -0.83 1.20 0.00 0.00 173.24 173.45 3kcg s GLY 136 N 2.09 1.77 -0.10 9.45 0.00 -0.83 -4.69 107.32 115.01 3kcg s GLY 136 Ca 0.01 -1.89 -0.00 0.00 0.00 0.00 0.00 44.72 42.84 3kcg s GLY 136 CO -0.06 -1.66 -0.08 -0.19 0.00 0.00 0.00 173.10 171.12 3kcg s TYR 137 N -3.58 2.92 0.12 1.90 4.12 0.61 -0.45 117.35 122.99 3kcg s TYR 137 Ca 0.35 -0.18 0.10 0.00 0.02 0.00 0.00 57.07 57.37 3kcg s TYR 137 Cb 0.08 -1.79 -0.04 0.00 -1.52 0.00 0.00 41.96 38.69 3kcg s TYR 137 CO 0.13 0.14 -0.22 0.14 0.02 0.00 0.00 175.55 175.76 3kcg s VAL 138 N -0.33 2.56 0.07 0.71 -7.23 -0.07 -0.82 120.40 115.29 3kcg s VAL 138 Ca 0.04 -1.62 -0.13 0.00 -1.81 0.00 0.00 61.98 58.47 3kcg s VAL 138 Cb -0.13 -2.15 0.02 0.00 0.56 0.00 0.00 36.38 34.68 3kcg s VAL 138 CO 0.02 0.10 0.29 -0.94 -0.31 0.00 0.00 175.10 174.26 3kcg s SER 139 N -2.09 -0.07 0.00 4.85 1.04 -1.23 -0.83 113.70 115.37 3kcg s SER 139 Ca 0.16 -0.35 0.00 0.00 0.48 0.00 0.00 55.95 56.24 3kcg s SER 139 Cb -0.10 0.37 0.00 0.00 0.10 0.00 0.00 66.02 66.39 3kcg s SER 139 CO 0.08 -0.69 0.00 0.61 0.98 0.00 0.00 173.24 174.22 3kcg n GLY 140 N 0.25 0.30 1.48 7.32 0.00 -0.34 -4.50 105.19 109.70 3kcg n GLY 140 Ca -0.17 -1.13 0.01 0.00 0.00 0.00 0.00 46.02 44.73 3kcg n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3kcg n TRP 141 N -0.72 1.68 -0.83 1.61 8.01 -1.26 -1.87 117.44 124.06 3kcg n TRP 141 Ca 0.00 -1.07 -0.25 0.00 -1.31 0.00 0.00 57.50 54.87 3kcg n TRP 141 Cb 0.00 -0.51 0.21 0.00 -2.01 0.00 0.00 31.31 29.01 3kcg n TRP 141 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3kcg n GLY 142 N -0.30 -2.90 3.76 6.99 0.00 -1.25 -2.51 105.19 108.97 3kcg n GLY 142 Ca 0.31 -1.45 -0.41 0.00 0.00 0.00 0.00 46.02 44.47 3kcg n GLY 142 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kcg n ARG 143 N -4.38 2.47 0.00 1.61 1.74 0.52 -2.12 116.66 116.49 3kcg n ARG 143 Ca 0.12 0.87 0.12 0.00 -0.77 0.00 0.00 57.85 58.19 3kcg n ARG 143 Cb 0.48 -2.62 0.17 0.00 -1.02 0.00 0.00 32.46 29.48 3kcg n ARG 143 CO 0.00 0.00 0.00 1.33 -1.52 0.00 0.00 177.63 177.44 3kcg n VAL 144 N 0.19 0.00 -3.84 1.55 0.24 -0.63 -0.84 118.33 115.00 3kcg n VAL 144 Ca 0.03 -0.05 -0.12 0.00 -2.04 0.00 0.00 64.34 62.16 3kcg n VAL 144 Cb 0.39 0.55 -0.12 0.00 -1.47 0.00 0.00 33.84 33.19 3kcg n VAL 144 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 3kcg s PHE 145 N -2.84 -0.11 0.21 6.34 0.08 -1.26 -4.14 117.98 116.26 3kcg s PHE 145 Ca 0.14 0.26 -0.32 0.00 0.12 0.00 0.00 56.93 57.13 3kcg s PHE 145 Cb 0.18 0.03 -0.13 0.00 -0.57 0.00 0.00 43.02 42.52 3kcg s PHE 145 CO 0.69 -0.13 1.52 1.58 -0.10 0.00 0.00 175.22 178.77 3kcg n HIS 147 N 2.59 2.32 -1.49 0.36 -0.00 -1.26 -0.04 115.22 117.70 3kcg n HIS 147 Ca -0.15 0.32 -0.17 0.00 -0.00 0.00 0.00 57.72 57.72 3kcg n HIS 147 Cb 0.58 -2.52 -0.07 0.00 -0.00 0.00 0.00 29.99 27.98 3kcg n HIS 147 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 3kcg n LYS 148 N 2.74 -1.53 -0.33 1.57 5.02 -1.26 -4.95 118.16 119.42 3kcg n LYS 148 Ca 0.14 1.09 0.00 0.00 -2.02 0.00 0.00 58.31 57.52 3kcg n LYS 148 Cb 0.31 -5.49 0.00 0.00 -0.02 0.00 0.00 35.03 29.83 3kcg n LYS 148 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kcg n GLY 149 N -0.18 3.52 3.77 0.72 0.00 0.94 -5.10 105.19 108.87 3kcg n GLY 149 Ca -0.17 -2.07 -0.38 0.00 0.00 0.00 0.00 46.02 43.41 3kcg n GLY 149 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kcg s ARG 150 N 1.25 3.98 0.56 1.61 1.81 -1.26 -4.77 118.95 122.13 3kcg s ARG 150 Ca 0.00 1.78 -0.17 0.00 -1.72 0.00 0.00 55.73 55.62 3kcg s ARG 150 Cb 0.00 -2.58 -0.05 0.00 -0.45 0.00 0.00 34.95 31.86 3kcg s ARG 150 CO 0.00 -0.37 1.04 -1.12 -0.68 0.00 0.00 175.30 174.18 3kcg s SER 151 N -1.25 6.03 0.50 0.23 0.01 -1.26 -1.61 113.70 116.35 3kcg s SER 151 Ca 0.59 1.81 -0.20 0.00 1.31 0.00 0.00 55.95 59.46 3kcg s SER 151 Cb -0.29 -2.54 -0.08 0.00 0.21 0.00 0.00 66.02 63.32 3kcg s SER 151 CO 0.36 -1.00 1.06 0.00 0.41 0.00 0.00 173.24 174.08 3kcg s ALA 152 N -2.36 2.83 -0.19 1.44 0.00 -0.90 -4.83 121.76 117.76 3kcg s ALA 152 Ca 0.64 0.67 -0.12 0.00 0.00 0.00 0.00 51.96 53.14 3kcg s ALA 152 Cb -0.15 -3.28 -0.21 0.00 0.00 0.00 0.00 23.12 19.48 3kcg s ALA 152 CO 0.32 -0.43 0.15 1.28 0.00 0.00 0.00 175.76 177.09 3kcg n LEU 153 N -1.02 2.30 -4.85 0.00 4.77 -1.26 -4.82 117.00 112.12 3kcg n LEU 153 Ca 0.10 0.27 -0.37 0.00 -0.03 0.00 0.00 56.01 55.98 3kcg n LEU 153 Cb 0.52 -1.00 -0.06 0.00 -2.33 0.00 0.00 43.42 40.54 3kcg n LEU 153 CO 0.40 0.61 -0.15 -0.69 -1.33 0.00 0.00 177.39 176.24 3kcg s VAL 154 N -2.48 5.46 0.10 4.08 1.01 -1.26 -1.19 120.40 126.13 3kcg s VAL 154 Ca -0.28 0.25 -0.35 0.00 0.00 0.00 0.00 61.98 61.60 3kcg s VAL 154 Cb 0.08 -3.44 -0.15 0.00 0.00 0.00 0.00 36.38 32.87 3kcg s VAL 154 CO 0.65 0.58 1.49 -0.11 0.00 0.00 0.00 175.10 177.71 3kcg n LEU 155 N 2.28 2.43 -4.76 3.92 7.94 -0.57 -4.85 117.00 123.39 3kcg n LEU 155 Ca -0.19 1.09 -0.30 0.00 -1.11 0.00 0.00 56.01 55.51 3kcg n LEU 155 Cb 0.54 -1.31 -0.07 0.00 0.53 0.00 0.00 43.42 43.12 3kcg n LEU 155 CO 0.33 -0.63 -0.27 -1.10 -1.11 0.00 0.00 177.39 174.61 3kcg s GLN 156 N 0.93 2.80 0.04 1.96 -1.52 -0.78 -0.59 119.66 122.51 3kcg s GLN 156 Ca 0.83 -0.76 -0.00 0.00 -1.95 0.00 0.00 55.36 53.47 3kcg s GLN 156 Cb -0.82 -2.67 -0.03 0.00 -0.22 0.00 0.00 33.01 29.28 3kcg s GLN 156 CO 0.43 0.54 -0.04 1.52 -0.25 0.00 0.00 175.29 177.50 3kcg s TYR 157 N -1.44 0.48 -0.19 0.91 -0.85 -0.58 -1.19 117.35 114.49 3kcg s TYR 157 Ca 0.29 -0.84 -0.15 0.00 -0.52 0.00 0.00 57.07 55.85 3kcg s TYR 157 Cb -0.12 -0.34 0.05 0.00 0.38 0.00 0.00 41.96 41.94 3kcg s TYR 157 CO 0.21 -0.28 0.48 -1.17 -1.52 0.00 0.00 175.55 173.28 3kcg s LEU 158 N -2.37 -0.00 -0.14 -3.49 2.96 -0.01 -1.71 118.68 113.93 3kcg s LEU 158 Ca -0.01 0.99 -0.21 0.00 -0.22 0.00 0.00 54.13 54.68 3kcg s LEU 158 Cb 0.01 1.62 -0.03 0.00 0.50 0.00 0.00 46.19 48.29 3kcg s LEU 158 CO -0.06 -0.18 0.63 -0.60 -1.32 0.00 0.00 176.35 174.82 3kcg s ARG 159 N 0.69 4.31 -0.05 1.98 3.52 -1.26 -0.90 118.95 127.25 3kcg s ARG 159 Ca -0.04 0.67 0.05 0.00 -0.13 0.00 0.00 55.73 56.28 3kcg s ARG 159 Cb -0.05 -3.51 -0.00 0.00 -1.56 0.00 0.00 34.95 29.83 3kcg s ARG 159 CO -0.05 -0.07 -0.18 0.14 -0.81 0.00 0.00 175.30 174.33 3kcg s VAL 160 N 1.33 1.52 0.28 7.11 -7.23 0.40 -4.98 120.40 118.83 3kcg s VAL 160 Ca 0.31 -0.77 -0.16 0.00 -1.81 0.00 0.00 61.98 59.55 3kcg s VAL 160 Cb -0.16 -1.30 -0.09 0.00 0.56 0.00 0.00 36.38 35.39 3kcg s VAL 160 CO 0.13 0.43 0.72 -2.16 -0.31 0.00 0.00 175.10 173.91 3kcg s PRO 161 N 0.01 4.08 0.32 4.82 0.04 -1.26 -1.96 135.00 141.04 3kcg s PRO 161 Ca -0.04 0.71 -0.28 0.00 0.04 0.00 0.00 61.00 61.43 3kcg s PRO 161 Cb -0.12 -2.60 -0.10 0.00 0.04 0.00 0.00 34.50 31.72 3kcg s PRO 161 CO 0.02 0.25 1.20 -1.17 0.04 0.00 0.00 177.00 177.35 3kcg s LEU 162 N -2.61 4.44 -0.15 -3.56 2.96 -0.48 -1.62 118.68 117.66 3kcg s LEU 162 Ca 0.50 2.47 -0.02 0.00 -0.22 0.00 0.00 54.13 56.86 3kcg s LEU 162 Cb -0.13 -3.70 -0.02 0.00 0.50 0.00 0.00 46.19 42.84 3kcg s LEU 162 CO 0.19 -0.41 -0.09 -0.69 -1.32 0.00 0.00 176.35 174.03 3kcg s VAL 163 N -1.20 3.34 0.50 1.68 1.01 0.02 -4.89 120.40 120.87 3kcg s VAL 163 Ca 0.49 -0.55 -0.22 0.00 0.00 0.00 0.00 61.98 61.69 3kcg s VAL 163 Cb -0.35 -2.44 -0.07 0.00 0.00 0.00 0.00 36.38 33.51 3kcg s VAL 163 CO 0.46 0.50 1.14 -0.90 0.00 0.00 0.00 175.10 176.30 3kcg n ASP 164 N 3.69 1.76 0.09 3.32 5.68 -1.26 -4.40 116.55 125.43 3kcg n ASP 164 Ca -0.18 0.97 -0.12 0.00 -0.50 0.00 0.00 54.79 54.96 3kcg n ASP 164 Cb 0.52 -1.45 -0.05 0.00 -1.14 0.00 0.00 41.12 39.00 3kcg n ASP 164 CO 0.00 0.00 0.00 0.03 -1.33 0.00 0.00 177.20 175.90 3kcg h ARG 165 N 1.34 -0.46 -0.90 0.11 3.08 -1.98 -2.44 114.38 113.12 3kcg h ARG 165 Ca -0.48 0.03 0.13 0.00 0.07 0.00 0.00 59.98 59.73 3kcg h ARG 165 Cb 1.33 0.11 -0.14 0.00 0.08 0.00 0.00 29.97 31.34 3kcg h ARG 165 CO 0.56 -0.31 -0.42 0.00 -1.07 0.00 0.00 179.97 178.73 3kcg h ALA 166 N 0.25 -0.04 -0.91 0.04 0.00 -2.00 0.39 119.26 116.99 3kcg h ALA 166 Ca 0.04 0.22 0.06 0.00 0.00 0.00 0.00 54.91 55.23 3kcg h ALA 166 Cb 0.53 1.04 -0.06 0.00 0.00 0.00 0.00 17.79 19.30 3kcg h ALA 166 CO -0.20 -0.71 0.59 1.15 0.00 0.00 0.00 179.25 180.08 3kcg h THR 167 N -0.05 1.08 -0.14 0.00 2.02 -1.86 -2.51 112.91 111.46 3kcg h THR 167 Ca 0.28 -0.36 -0.07 0.00 0.77 0.00 0.00 66.41 67.03 3kcg h THR 167 Cb 0.56 -0.06 -0.00 0.00 -1.74 0.00 0.00 68.15 66.91 3kcg h THR 167 CO -0.91 0.19 -0.18 0.00 0.37 0.00 0.00 175.52 174.99 3kcg h LEU 169 N -0.02 0.43 0.00 0.00 4.07 -0.73 0.19 115.31 119.26 3kcg h LEU 169 Ca 0.02 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.98 3kcg h LEU 169 Cb 0.73 -0.09 0.00 0.00 1.08 0.00 0.00 40.66 42.38 3kcg h LEU 169 CO 0.04 0.28 -0.09 0.54 -1.08 0.00 0.00 178.44 178.13 3kcg n ARG 170 N -4.47 0.10 0.04 1.13 1.74 -0.96 -3.47 116.66 110.76 3kcg n ARG 170 Ca 0.08 0.07 0.12 0.00 -0.77 0.00 0.00 57.85 57.35 3kcg n ARG 170 Cb 0.26 -1.60 0.24 0.00 -1.02 0.00 0.00 32.46 30.34 3kcg n ARG 170 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 3kcg n SER 171 N -1.77 0.60 -3.91 0.55 3.41 0.05 -4.92 113.62 107.63 3kcg n SER 171 Ca 0.06 0.08 -0.10 0.00 -0.26 0.00 0.00 58.87 58.65 3kcg n SER 171 Cb 0.37 0.08 -0.10 0.00 -0.26 0.00 0.00 64.21 64.30 3kcg n SER 171 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3kcg s THR 172 N -3.11 0.11 -1.54 6.66 -1.32 -1.16 -4.85 115.64 110.43 3kcg s THR 172 Ca 0.08 -0.88 0.27 0.00 -1.21 0.00 0.00 61.69 59.95 3kcg s THR 172 Cb 0.15 -0.56 0.27 0.00 -1.51 0.00 0.00 72.50 70.85 3kcg s THR 172 CO 0.69 -0.48 1.65 2.29 -2.21 0.00 0.00 174.62 176.56 3kcg n LYS 173 N 1.23 0.59 -2.73 7.08 0.00 -1.26 -4.85 118.16 118.22 3kcg n LYS 173 Ca -0.22 -0.29 -0.29 0.00 -0.00 0.00 0.00 58.31 57.50 3kcg n LYS 173 Cb 0.56 -1.49 -0.02 0.00 -0.00 0.00 0.00 35.03 34.08 3kcg n LYS 173 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.40 177.34 3kcg s PHE 174 N -2.62 3.51 -0.00 5.58 0.08 -1.26 -5.03 117.98 118.24 3kcg s PHE 174 Ca 0.23 0.98 -0.30 0.00 0.12 0.00 0.00 56.93 57.96 3kcg s PHE 174 Cb 0.19 -2.41 -0.04 0.00 -0.57 0.00 0.00 43.02 40.19 3kcg s PHE 174 CO 0.54 -0.19 1.11 0.99 -0.10 0.00 0.00 175.22 177.57 3kcg s THR 175 N -2.53 4.42 -0.47 0.64 2.01 -1.26 -5.00 115.64 113.46 3kcg s THR 175 Ca 0.50 1.74 -0.08 0.00 0.31 0.00 0.00 61.69 64.16 3kcg s THR 175 Cb -0.10 -4.11 0.12 0.00 0.01 0.00 0.00 72.50 68.41 3kcg s THR 175 CO 0.37 0.09 0.33 -0.63 -0.69 0.00 0.00 174.62 174.09 3kcg s ILE 176 N 1.40 4.06 0.85 1.82 -1.09 -1.26 -5.09 121.20 121.90 3kcg s ILE 176 Ca 0.55 -1.86 -0.12 0.00 -2.23 0.00 0.00 60.65 56.99 3kcg s ILE 176 Cb -0.25 -3.69 0.10 0.00 -1.58 0.00 0.00 42.46 37.05 3kcg s ILE 176 CO 0.26 -0.77 1.10 -0.31 -1.23 0.00 0.00 174.94 174.00 3kcg s TYR 177 N 1.29 2.63 -0.59 3.97 1.51 -1.26 -4.92 117.35 119.98 3kcg s TYR 177 Ca 0.06 1.09 0.18 0.00 -1.01 0.00 0.00 57.07 57.39 3kcg s TYR 177 Cb -0.25 -3.20 0.82 0.00 -0.11 0.00 0.00 41.96 39.21 3kcg s TYR 177 CO -0.01 -2.08 1.55 0.09 -1.11 0.00 0.00 175.55 173.99 3kcg n ASN 178 N -3.63 0.41 -0.71 2.29 3.02 -1.26 -1.42 115.26 113.96 3kcg n ASN 178 Ca 0.07 0.63 0.06 0.00 -0.03 0.00 0.00 54.58 55.31 3kcg n ASN 178 Cb 0.57 -0.71 0.17 0.00 -0.61 0.00 0.00 39.78 39.20 3kcg n ASN 178 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3kcg n ASN 179 N -1.99 2.06 -4.24 6.41 3.02 -1.26 -4.88 115.26 114.39 3kcg n ASN 179 Ca 0.01 -2.02 -0.16 0.00 -0.03 0.00 0.00 54.58 52.38 3kcg n ASN 179 Cb 0.14 -0.27 -0.10 0.00 -0.61 0.00 0.00 39.78 38.93 3kcg n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 3kcg s MET 180 N -1.52 1.03 0.13 3.52 -1.94 -0.51 -0.53 119.30 119.49 3kcg s MET 180 Ca 0.25 -1.34 0.00 0.00 -1.71 0.00 0.00 55.69 52.89 3kcg s MET 180 Cb 0.13 -0.73 -0.04 0.00 2.01 0.00 0.00 34.83 36.20 3kcg s MET 180 CO 0.17 0.11 0.01 -0.59 -0.01 0.00 0.00 175.02 174.71 3kcg s PHE 181 N -2.78 0.96 -0.08 -0.03 -0.12 0.11 -4.77 117.98 111.27 3kcg s PHE 181 Ca 0.13 -1.09 0.01 0.00 -0.05 0.00 0.00 56.93 55.93 3kcg s PHE 181 Cb -0.01 -0.56 -0.03 0.00 -0.63 0.00 0.00 43.02 41.80 3kcg s PHE 181 CO 0.02 -0.34 -0.10 0.00 -0.05 0.00 0.00 175.22 174.75 3kcg s ALA 183 N -0.48 -1.00 0.00 0.00 0.00 -0.77 -0.80 121.76 118.72 3kcg s ALA 183 Ca 0.07 0.86 0.00 0.00 0.00 0.00 0.00 51.96 52.88 3kcg s ALA 183 Cb -0.12 -0.33 0.00 0.00 0.00 0.00 0.00 23.12 22.67 3kcg s ALA 183 CO 0.02 -0.24 0.00 0.41 0.00 0.00 0.00 175.76 175.95 3kcg n GLY 184 N 2.08 0.36 3.45 0.00 0.00 -0.64 -1.43 105.19 109.02 3kcg n GLY 184 Ca -0.17 -1.70 -0.33 0.00 0.00 0.00 0.00 46.02 43.82 3kcg n GLY 184 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3kcg s PHE 184 N -2.44 2.84 0.41 1.61 0.40 -1.26 -4.36 117.98 115.18 3kcg s PHE 184 Ca 0.00 -0.38 0.09 0.00 -0.60 0.00 0.00 56.93 56.04 3kcg s PHE 184 Cb 0.00 -1.79 0.89 0.00 0.51 0.00 0.00 43.02 42.63 3kcg s PHE 184 CO 0.00 -0.01 2.01 0.45 0.70 0.00 0.00 175.22 178.37 3kcg h HIS 185 N 6.18 0.54 0.00 0.36 3.86 -1.94 -2.22 115.15 121.92 3kcg h HIS 185 Ca -0.35 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 58.88 3kcg h HIS 185 Cb 1.19 -0.18 0.00 0.00 1.06 0.00 0.00 27.41 29.48 3kcg h HIS 185 CO 0.52 0.30 -0.04 -0.85 0.86 0.00 0.00 177.93 178.71 3kcg n GLU 186 N -4.47 0.19 0.00 2.45 0.00 -1.26 -1.27 120.64 116.28 3kcg n GLU 186 Ca 0.07 0.15 0.00 0.00 0.00 0.00 0.00 57.16 57.37 3kcg n GLU 186 Cb 0.19 -1.71 0.00 0.00 0.00 0.00 0.00 31.44 29.92 3kcg n GLU 186 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3kcg n GLY 187 N 1.37 -2.63 0.12 -1.84 0.00 -0.84 -4.38 105.19 96.98 3kcg n GLY 187 Ca 0.06 -1.64 0.00 0.00 0.00 0.00 0.00 46.02 44.44 3kcg n GLY 187 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kcg n GLY 188 N -0.80 3.39 2.81 -0.02 0.00 0.09 -4.92 105.19 105.74 3kcg n GLY 188 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 3kcg n GLY 188 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kcg s ARG 188 N -0.78 -0.01 -0.09 1.61 0.52 -1.26 -3.96 118.95 114.99 3kcg s ARG 188 Ca 0.00 0.22 -0.33 0.00 -0.52 0.00 0.00 55.73 55.10 3kcg s ARG 188 Cb 0.00 -0.21 0.14 0.00 0.52 0.00 0.00 34.95 35.40 3kcg s ARG 188 CO 0.00 -0.16 1.39 0.34 0.02 0.00 0.00 175.30 176.89 3kcg s ASP 189 N 1.02 -0.02 0.83 0.23 2.15 -0.92 -4.39 116.67 115.56 3kcg s ASP 189 Ca -0.08 -0.04 -0.12 0.00 0.43 0.00 0.00 52.55 52.73 3kcg s ASP 189 Cb -0.12 0.06 0.10 0.00 -0.30 0.00 0.00 42.92 42.66 3kcg s ASP 189 CO -0.03 -0.10 1.19 -0.44 -0.17 0.00 0.00 175.17 175.62 3kcg s SER 190 N -2.92 4.31 0.14 -0.34 0.01 -1.26 -0.78 113.70 112.86 3kcg s SER 190 Ca 0.14 0.69 -0.03 0.00 1.31 0.00 0.00 55.95 58.07 3kcg s SER 190 Cb 0.06 -1.12 0.01 0.00 0.21 0.00 0.00 66.02 65.18 3kcg s SER 190 CO -0.06 -2.02 0.22 0.00 0.41 0.00 0.00 173.24 171.80 3kcg n GLN 192 N -0.20 2.39 0.00 0.00 3.00 -1.26 -1.35 117.38 119.95 3kcg n GLN 192 Ca -0.01 0.85 0.00 0.00 -0.01 0.00 0.00 57.00 57.83 3kcg n GLN 192 Cb 0.22 -2.58 0.00 0.00 0.00 0.00 0.00 30.24 27.87 3kcg n GLN 192 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3kcg n GLY 193 N 2.30 3.10 0.12 1.08 0.00 -1.26 -0.35 105.19 110.18 3kcg n GLY 193 Ca 0.11 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.21 3kcg n GLY 193 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3kcg h ASP 194 N 0.06 0.00 -2.36 1.61 3.32 -1.49 -3.29 116.42 114.28 3kcg h ASP 194 Ca 0.00 0.00 -0.61 0.00 0.02 0.00 0.00 57.03 56.44 3kcg h ASP 194 Cb 0.00 0.00 0.12 0.00 0.22 0.00 0.00 39.33 39.67 3kcg h ASP 194 CO 0.00 0.17 -0.10 0.00 -1.72 0.00 0.00 179.24 177.58 3kcg n ALA 195 N -2.23 -0.85 0.00 3.45 0.00 -1.26 -1.36 120.51 118.27 3kcg n ALA 195 Ca -0.02 0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.72 3kcg n ALA 195 Cb 0.63 -1.91 0.00 0.00 0.00 0.00 0.00 19.45 18.17 3kcg n ALA 195 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kcg n GLY 196 N 1.47 3.22 3.68 0.00 0.00 -0.09 -0.22 105.19 113.25 3kcg n GLY 196 Ca 0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 3kcg n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3kcg s GLY 197 N -2.12 1.57 0.40 -0.02 0.00 -0.46 -3.34 107.32 103.34 3kcg s GLY 197 Ca 0.00 -0.33 -0.07 0.00 0.00 0.00 0.00 44.72 44.32 3kcg s GLY 197 CO 0.00 0.27 0.71 2.56 0.00 0.00 0.00 173.10 176.64 3kcg s PRO 198 N -4.97 3.67 -0.22 2.90 0.04 -1.26 -1.46 135.00 133.70 3kcg s PRO 198 Ca 0.65 0.25 0.02 0.00 0.04 0.00 0.00 61.00 61.96 3kcg s PRO 198 Cb -0.18 -2.46 0.04 0.00 0.04 0.00 0.00 34.50 31.94 3kcg s PRO 198 CO 0.57 -0.01 -0.14 -1.58 0.04 0.00 0.00 177.00 175.88 3kcg s HIS 199 N -2.40 2.90 0.20 0.56 2.46 -0.64 -3.57 115.29 114.79 3kcg s HIS 199 Ca 0.48 -1.93 0.10 0.00 0.47 0.00 0.00 55.06 54.18 3kcg s HIS 199 Cb -0.10 -1.85 -0.04 0.00 -0.13 0.00 0.00 32.58 30.45 3kcg s HIS 199 CO 0.35 -0.82 -0.20 0.14 -2.47 0.00 0.00 174.74 171.73 3kcg s VAL 200 N 1.23 2.11 -0.14 0.89 -7.23 -0.00 -0.81 120.40 116.46 3kcg s VAL 200 Ca -0.03 -2.06 0.02 0.00 -1.81 0.00 0.00 61.98 58.10 3kcg s VAL 200 Cb -0.17 -2.03 0.02 0.00 0.56 0.00 0.00 36.38 34.75 3kcg s VAL 200 CO -0.08 -0.27 -0.18 -0.89 -0.31 0.00 0.00 175.10 173.36 3kcg s THR 201 N -2.04 1.84 -0.22 5.32 2.01 -0.05 -0.29 115.64 122.20 3kcg s THR 201 Ca 0.20 -0.83 -0.23 0.00 0.31 0.00 0.00 61.69 61.15 3kcg s THR 201 Cb -0.06 -1.66 -0.02 0.00 0.01 0.00 0.00 72.50 70.78 3kcg s THR 201 CO 0.09 0.51 0.73 -0.70 -0.69 0.00 0.00 174.62 174.55 3kcg s GLU 202 N 1.09 4.19 -0.33 4.92 2.12 -1.26 -0.87 118.70 128.55 3kcg s GLU 202 Ca -0.02 0.77 0.02 0.00 0.36 0.00 0.00 54.97 56.10 3kcg s GLU 202 Cb -0.14 -3.62 0.09 0.00 0.26 0.00 0.00 34.13 30.72 3kcg s GLU 202 CO -0.06 -0.39 0.05 0.08 -0.54 0.00 0.00 175.26 174.40 3kcg s VAL 203 N 2.39 2.57 -1.42 3.70 1.01 0.10 -4.74 120.40 124.01 3kcg s VAL 203 Ca 0.32 -2.02 -0.10 0.00 0.00 0.00 0.00 61.98 60.18 3kcg s VAL 203 Cb -0.16 -2.74 0.04 0.00 0.00 0.00 0.00 36.38 33.53 3kcg s VAL 203 CO 0.09 -0.44 1.02 1.21 0.00 0.00 0.00 175.10 176.98 3kcg n GLU 204 N 4.41 -6.39 -0.25 2.72 4.07 -1.26 -1.49 120.64 122.45 3kcg n GLU 204 Ca -0.03 0.70 0.00 0.00 -0.06 0.00 0.00 57.16 57.77 3kcg n GLU 204 Cb 0.42 -5.62 0.00 0.00 -0.06 0.00 0.00 31.44 26.18 3kcg n GLU 204 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3kcg n GLY 205 N -1.75 1.38 3.26 8.31 0.00 -1.26 -5.03 105.19 110.10 3kcg n GLY 205 Ca -0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.64 3kcg n GLY 205 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kcg s THR 206 N -2.85 2.97 0.06 2.61 2.01 -0.56 -5.10 115.64 114.79 3kcg s THR 206 Ca 0.00 -0.63 -0.24 0.00 0.31 0.00 0.00 61.69 61.13 3kcg s THR 206 Cb 0.00 -2.33 -0.06 0.00 0.01 0.00 0.00 72.50 70.12 3kcg s THR 206 CO 0.00 0.46 0.71 -0.44 -0.69 0.00 0.00 174.62 174.67 3kcg s SER 207 N 1.37 7.19 0.01 3.53 0.01 -1.26 0.00 113.70 124.56 3kcg s SER 207 Ca 0.05 1.42 0.08 0.00 1.31 0.00 0.00 55.95 58.81 3kcg s SER 207 Cb -0.14 -2.44 -0.02 0.00 0.21 0.00 0.00 66.02 63.62 3kcg s SER 207 CO -0.06 0.10 -0.25 -0.36 0.41 0.00 0.00 173.24 173.09 3kcg s PHE 208 N -0.44 2.18 -0.20 2.43 0.40 -0.05 -2.50 117.98 119.81 3kcg s PHE 208 Ca 0.35 -0.41 -0.29 0.00 -0.60 0.00 0.00 56.93 55.98 3kcg s PHE 208 Cb -0.21 -1.36 -0.01 0.00 0.51 0.00 0.00 43.02 41.96 3kcg s PHE 208 CO 0.22 0.04 1.28 -1.17 0.70 0.00 0.00 175.22 176.29 3kcg s LEU 209 N -0.91 4.11 -0.01 -0.37 2.96 -0.03 -0.87 118.68 123.56 3kcg s LEU 209 Ca 0.10 1.58 0.06 0.00 -0.22 0.00 0.00 54.13 55.66 3kcg s LEU 209 Cb -0.10 -3.54 -0.09 0.00 0.50 0.00 0.00 46.19 42.97 3kcg s LEU 209 CO 0.01 -0.84 0.20 0.35 -1.32 0.00 0.00 176.35 174.74 3kcg n THR 210 N 5.58 0.00 -3.84 3.68 -2.24 0.01 -4.81 114.28 112.66 3kcg n THR 210 Ca 0.14 -0.24 -0.06 0.00 -2.27 0.00 0.00 64.05 61.62 3kcg n THR 210 Cb 0.45 0.63 -0.02 0.00 -2.10 0.00 0.00 70.33 69.29 3kcg n THR 210 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3kcg s GLY 211 N -2.26 -0.11 -0.09 3.38 0.00 -0.62 -2.98 107.32 104.64 3kcg s GLY 211 Ca -0.00 -0.24 0.03 0.00 0.00 0.00 0.00 44.72 44.51 3kcg s GLY 211 CO 0.27 -0.07 -0.20 -0.42 0.00 0.00 0.00 173.10 172.68 3kcg s ILE 212 N -3.81 1.75 0.12 0.90 -1.09 -0.82 -1.63 121.20 116.62 3kcg s ILE 212 Ca 0.11 -0.83 -0.31 0.00 -2.23 0.00 0.00 60.65 57.39 3kcg s ILE 212 Cb -0.05 -1.54 -0.10 0.00 -1.58 0.00 0.00 42.46 39.19 3kcg s ILE 212 CO 0.06 0.49 1.77 -0.63 -1.23 0.00 0.00 174.94 175.41 3kcg s ILE 213 N 0.53 2.62 0.00 2.92 1.01 -0.53 -1.06 121.20 126.70 3kcg s ILE 213 Ca -0.16 0.16 0.00 0.00 0.00 0.00 0.00 60.65 60.66 3kcg s ILE 213 Cb -0.17 -3.10 0.00 0.00 0.01 0.00 0.00 42.46 39.20 3kcg s ILE 213 CO 0.06 0.00 0.00 -0.24 0.00 0.00 0.00 174.94 174.76 3kcg n SER 214 N 5.50 0.00 -1.86 3.58 2.88 -1.12 -0.92 113.62 121.69 3kcg n SER 214 Ca 0.17 0.00 -0.06 0.00 -1.33 0.00 0.00 58.87 57.65 3kcg n SER 214 Cb 0.39 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.83 3kcg n SER 214 CO 0.00 0.00 0.00 -2.67 -1.23 0.00 0.00 175.04 171.14 3kcg n TRP 215 N -1.98 -0.80 -0.93 0.66 4.27 -0.83 -4.82 117.44 113.01 3kcg n TRP 215 Ca 0.00 -1.02 0.00 0.00 -3.89 0.00 0.00 57.50 52.59 3kcg n TRP 215 Cb 0.00 0.22 0.00 0.00 -1.36 0.00 0.00 31.31 30.17 3kcg n TRP 215 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 3kcg n GLY 216 N -0.25 -1.44 3.16 -1.67 0.00 -1.26 -0.33 105.19 103.40 3kcg n GLY 216 Ca 0.01 -1.03 -0.38 0.00 0.00 0.00 0.00 46.02 44.62 3kcg n GLY 216 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kcg s GLU 217 N -1.55 2.23 3.38 1.61 2.02 -1.26 -4.97 118.70 120.16 3kcg s GLU 217 Ca 0.00 -1.84 0.00 0.00 0.02 0.00 0.00 54.97 53.15 3kcg s GLU 217 Cb 0.00 -3.74 0.00 0.00 0.10 0.00 0.00 34.13 30.49 3kcg s GLU 217 CO 0.00 -1.13 0.00 0.39 0.02 0.00 0.00 175.26 174.54 3kcg n GLU 219 N 4.66 0.00 -3.85 1.61 1.02 -1.26 -4.78 120.64 118.04 3kcg n GLU 219 Ca -0.04 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 56.98 3kcg n GLU 219 Cb 0.41 0.00 -0.12 0.00 -0.02 0.00 0.00 31.44 31.71 3kcg n GLU 219 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3kcg n ALA 221 N 2.42 -0.56 -2.20 0.00 0.00 -1.26 -4.81 120.51 114.10 3kcg n ALA 221 Ca -0.17 0.17 -0.36 0.00 0.00 0.00 0.00 53.44 53.08 3kcg n ALA 221 Cb 0.58 -1.69 -0.06 0.00 0.00 0.00 0.00 19.45 18.27 3kcg n ALA 221 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 3kcg s MET 221 N -4.46 4.17 0.26 0.00 1.00 -1.26 -0.73 119.30 118.28 3kcg s MET 221 Ca 0.00 0.75 -0.31 0.00 0.00 0.00 0.00 55.69 56.13 3kcg s MET 221 Cb 0.00 -2.95 -0.12 0.00 0.00 0.00 0.00 34.83 31.76 3kcg s MET 221 CO 0.00 0.45 1.59 1.17 0.00 0.00 0.00 175.02 178.23 3kcg n LYS 222 N 0.89 2.56 -0.99 2.03 4.81 -1.26 -1.99 118.16 124.21 3kcg n LYS 222 Ca -0.04 0.92 0.00 0.00 -0.87 0.00 0.00 58.31 58.31 3kcg n LYS 222 Cb 0.51 -2.69 0.00 0.00 0.02 0.00 0.00 35.03 32.87 3kcg n LYS 222 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3kcg n GLY 223 N 2.61 0.54 3.23 3.14 0.00 -0.39 -4.95 105.19 109.37 3kcg n GLY 223 Ca 0.11 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.91 3kcg n GLY 223 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kcg s LYS 224 N -0.16 1.08 0.19 1.61 -0.14 -0.84 -4.80 119.74 116.68 3kcg s LYS 224 Ca 0.00 -0.99 0.07 0.00 -1.36 0.00 0.00 55.97 53.69 3kcg s LYS 224 Cb 0.00 -1.21 -0.05 0.00 -1.68 0.00 0.00 37.83 34.89 3kcg s LYS 224 CO 0.00 0.29 -0.14 0.71 -0.76 0.00 0.00 175.35 175.45 3kcg s TYR 225 N -1.04 1.61 0.33 3.18 2.02 -1.26 -4.63 117.35 117.55 3kcg s TYR 225 Ca 0.04 -0.61 -0.27 0.00 -0.37 0.00 0.00 57.07 55.86 3kcg s TYR 225 Cb -0.09 -0.76 -0.09 0.00 -0.40 0.00 0.00 41.96 40.61 3kcg s TYR 225 CO 0.03 0.29 1.03 0.20 -1.57 0.00 0.00 175.55 175.53 3kcg s GLY 226 N -3.23 2.89 -0.13 0.71 0.00 -0.51 -4.63 107.32 102.42 3kcg s GLY 226 Ca 0.21 0.72 -0.02 0.00 0.00 0.00 0.00 44.72 45.62 3kcg s GLY 226 CO 0.05 1.22 -0.04 -0.42 0.00 0.00 0.00 173.10 173.91 3kcg s ILE 227 N -1.45 3.87 0.16 0.90 -1.09 0.55 -1.85 121.20 122.29 3kcg s ILE 227 Ca 0.51 -0.38 0.10 0.00 -2.23 0.00 0.00 60.65 58.64 3kcg s ILE 227 Cb -0.25 -2.67 -0.04 0.00 -1.58 0.00 0.00 42.46 37.93 3kcg s ILE 227 CO 0.31 0.53 -0.21 -0.31 -1.23 0.00 0.00 174.94 174.03 3kcg s TYR 228 N 0.00 2.01 -0.01 3.97 1.51 0.53 -1.97 117.35 123.40 3kcg s TYR 228 Ca 0.01 -0.42 -0.30 0.00 -1.01 0.00 0.00 57.07 55.35 3kcg s TYR 228 Cb -0.13 -1.02 -0.03 0.00 -0.11 0.00 0.00 41.96 40.67 3kcg s TYR 228 CO 0.03 0.37 1.03 0.99 -1.11 0.00 0.00 175.55 176.85 3kcg s THR 229 N -1.71 4.69 -0.65 -0.71 2.01 -0.22 -0.71 115.64 118.34 3kcg s THR 229 Ca 0.16 1.94 -0.28 0.00 0.31 0.00 0.00 61.69 63.82 3kcg s THR 229 Cb -0.07 -4.24 0.03 0.00 0.01 0.00 0.00 72.50 68.22 3kcg s THR 229 CO 0.07 0.13 1.28 -0.75 -0.69 0.00 0.00 174.62 174.66 3kcg s LYS 230 N 1.19 3.31 0.41 4.92 2.20 0.31 -1.95 119.74 130.14 3kcg s LYS 230 Ca 0.53 0.07 0.08 0.00 -0.36 0.00 0.00 55.97 56.28 3kcg s LYS 230 Cb -0.22 -4.11 0.86 0.00 -1.51 0.00 0.00 37.83 32.85 3kcg s LYS 230 CO 0.27 -1.96 2.05 0.28 -0.36 0.00 0.00 175.35 175.63 3kcg h VAL 231 N 6.15 1.11 -0.96 4.02 2.07 -1.85 -2.96 116.25 123.83 3kcg h VAL 231 Ca -0.27 -0.24 0.22 0.00 0.82 0.00 0.00 66.70 67.23 3kcg h VAL 231 Cb 1.06 0.59 -0.08 0.00 -1.52 0.00 0.00 31.29 31.34 3kcg h VAL 231 CO 1.23 0.11 0.63 0.77 0.02 0.00 0.00 177.57 180.33 3kcg h SER 232 N 0.51 0.45 0.73 0.57 4.64 -1.88 0.29 113.55 118.86 3kcg h SER 232 Ca 0.13 0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 3kcg h SER 232 Cb -0.02 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.05 3kcg h SER 232 CO -0.03 0.15 0.00 0.54 -0.87 0.00 0.00 176.83 176.63 3kcg n ARG 233 N -4.56 0.21 0.00 4.77 5.12 -1.12 -3.35 116.66 117.73 3kcg n ARG 233 Ca 0.21 0.44 0.00 0.00 -1.93 0.00 0.00 57.85 56.57 3kcg n ARG 233 Cb 0.75 -1.90 0.00 0.00 -1.16 0.00 0.00 32.46 30.15 3kcg n ARG 233 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 3kcg n TYR 234 N -2.28 0.00 -0.35 -1.55 4.01 0.97 -4.78 117.16 113.18 3kcg n TYR 234 Ca 0.02 -0.15 0.01 0.00 -0.16 0.00 0.00 57.90 57.62 3kcg n TYR 234 Cb 0.23 -0.02 0.15 0.00 -0.31 0.00 0.00 39.34 39.40 3kcg n TYR 234 CO 0.00 0.00 0.00 -0.39 -0.46 0.00 0.00 176.86 176.01 3kcg h VAL 235 N 0.06 1.09 -0.71 -0.72 -1.51 -1.39 -1.04 116.25 112.03 3kcg h VAL 235 Ca 0.00 -0.38 -0.01 0.00 -1.23 0.00 0.00 66.70 65.08 3kcg h VAL 235 Cb 0.18 -0.13 -0.03 0.00 -2.13 0.00 0.00 31.29 29.18 3kcg h VAL 235 CO 0.00 0.20 0.41 0.78 -1.23 0.00 0.00 177.57 177.74 3kcg h ASN 236 N 1.12 0.87 -0.51 4.19 2.35 -1.86 -0.67 115.58 121.07 3kcg h ASN 236 Ca 0.40 -0.08 -0.05 0.00 -0.55 0.00 0.00 56.30 56.02 3kcg h ASN 236 Cb 0.13 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.26 3kcg h ASN 236 CO -0.16 0.69 0.11 -0.25 -1.65 0.00 0.00 177.43 176.17 3kcg h TRP 237 N 0.98 0.88 0.06 1.19 7.01 -1.78 -1.12 115.95 123.17 3kcg h TRP 237 Ca 0.25 -0.11 -0.00 0.00 2.11 0.00 0.00 58.89 61.14 3kcg h TRP 237 Cb -0.00 -0.25 0.00 0.00 -2.10 0.00 0.00 29.16 26.81 3kcg h TRP 237 CO -0.01 0.78 -0.03 0.82 -2.79 0.00 0.00 178.44 177.22 3kcg h ILE 238 N 0.72 0.98 -0.82 2.65 2.04 -0.82 -0.88 117.51 121.38 3kcg h ILE 238 Ca 0.16 -0.13 0.01 0.00 1.00 0.00 0.00 64.86 65.90 3kcg h ILE 238 Cb 0.36 1.07 -0.04 0.00 -0.74 0.00 0.00 36.82 37.47 3kcg h ILE 238 CO 0.00 0.03 0.54 0.11 0.00 0.00 0.00 178.15 178.84 3kcg h LYS 239 N -0.14 1.08 -0.14 2.37 1.79 -1.02 -1.53 116.57 118.98 3kcg h LYS 239 Ca -0.01 -0.06 -0.01 0.00 -2.18 0.00 0.00 60.65 58.38 3kcg h LYS 239 Cb 0.11 -0.24 -0.01 0.00 -1.58 0.00 0.00 32.23 30.52 3kcg h LYS 239 CO 0.01 0.71 0.03 1.49 -1.08 0.00 0.00 179.45 180.62 3kcg h GLU 240 N 1.11 0.22 -0.10 3.15 4.22 -1.02 -2.59 114.58 119.57 3kcg h GLU 240 Ca 0.30 -0.06 -0.13 0.00 0.08 0.00 0.00 59.36 59.56 3kcg h GLU 240 Cb -0.12 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.09 3kcg h GLU 240 CO -0.07 0.39 -0.52 0.87 -2.18 0.00 0.00 179.01 177.50 3kcg h LYS 241 N 0.02 0.27 -0.02 1.92 1.79 -1.02 -3.29 116.57 116.23 3kcg h LYS 241 Ca 0.04 -0.16 0.00 0.00 -2.18 0.00 0.00 60.65 58.35 3kcg h LYS 241 Cb 0.27 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 30.93 3kcg h LYS 241 CO 0.00 0.72 -0.10 0.25 -1.08 0.00 0.00 179.45 179.24 3kcg n THR 242 N -3.94 0.00 -1.67 -0.16 -2.24 -0.59 -4.97 114.28 100.71 3kcg n THR 242 Ca -0.02 -0.38 -0.46 0.00 -2.27 0.00 0.00 64.05 60.92 3kcg n THR 242 Cb 0.56 1.17 -0.04 0.00 -2.10 0.00 0.00 70.33 69.91 3kcg n THR 242 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 3kcg n LYS 243 N 0.72 2.18 0.00 -0.78 4.81 -0.98 -4.83 118.16 119.28 3kcg n LYS 243 Ca 0.14 0.79 0.07 0.00 -0.87 0.00 0.00 58.31 58.44 3kcg n LYS 243 Cb 0.51 -2.57 -0.13 0.00 0.02 0.00 0.00 35.03 32.86 3kcg n LYS 243 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 3kcg n LEU 244 N 3.79 0.22 0.00 3.14 4.77 -1.26 -5.09 117.00 122.57 3kcg n LEU 244 Ca 0.18 0.09 0.05 0.00 -0.03 0.00 0.00 56.01 56.29 3kcg n LEU 244 Cb 0.29 0.07 0.27 0.00 -2.33 0.00 0.00 43.42 41.72 3kcg n LEU 244 CO 0.64 0.05 0.49 0.35 -1.33 0.00 0.00 177.39 177.60