#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kit n VAL 3 N 0.00 -1.55 -2.64 0.00 0.31 -1.26 -4.96 118.33 108.23 3kit n VAL 3 Ca 0.00 0.00 -0.36 0.00 -0.01 0.00 0.00 64.34 63.97 3kit n VAL 3 Cb 0.00 -1.93 -0.05 0.00 -0.91 0.00 0.00 33.84 30.96 3kit n VAL 3 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 3kit s LYS 4 N -2.42 4.21 0.34 5.55 1.02 0.42 -4.85 119.74 124.01 3kit s LYS 4 Ca 0.00 1.39 0.09 0.00 0.02 0.00 0.00 55.97 57.47 3kit s LYS 4 Cb 0.00 -2.47 -0.06 0.00 -0.52 0.00 0.00 37.83 34.77 3kit s LYS 4 CO 0.00 -0.08 -0.10 0.21 -0.92 0.00 0.00 175.35 174.47 3kit s LYS 5 N -2.62 1.79 0.02 1.68 2.20 -1.26 -1.77 119.74 119.78 3kit s LYS 5 Ca 0.58 -1.92 0.05 0.00 -0.36 0.00 0.00 55.97 54.32 3kit s LYS 5 Cb -0.18 -1.65 -0.02 0.00 -1.51 0.00 0.00 37.83 34.47 3kit s LYS 5 CO 0.23 0.14 -0.14 -0.06 -0.36 0.00 0.00 175.35 175.16 3kit s PHE 6 N -2.65 1.28 0.49 4.03 0.40 -1.26 -5.00 117.98 115.28 3kit s PHE 6 Ca 0.32 -0.31 -0.22 0.00 -0.60 0.00 0.00 56.93 56.12 3kit s PHE 6 Cb 0.02 -0.78 -0.06 0.00 0.51 0.00 0.00 43.02 42.70 3kit s PHE 6 CO 0.16 0.02 1.22 0.15 0.70 0.00 0.00 175.22 177.46 3kit s LYS 7 N -0.81 3.53 -0.97 0.44 1.02 -1.26 -4.67 119.74 117.02 3kit s LYS 7 Ca 0.04 1.89 -0.11 0.00 0.02 0.00 0.00 55.97 57.81 3kit s LYS 7 Cb -0.07 -2.32 -0.08 0.00 -0.52 0.00 0.00 37.83 34.84 3kit s LYS 7 CO 0.01 -0.77 2.14 -0.35 -0.92 0.00 0.00 175.35 175.45 3kit n PRO 8 N -0.73 2.12 -0.12 -1.68 -0.04 -1.26 -4.60 135.00 128.69 3kit n PRO 8 Ca 0.09 -1.70 0.01 0.00 -0.04 0.00 0.00 63.50 61.86 3kit n PRO 8 Cb 0.47 -2.66 0.06 0.00 -0.04 0.00 0.00 33.50 31.33 3kit n PRO 8 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 3kit n TYR 9 N 5.17 0.28 0.00 0.54 4.11 -1.26 -4.68 117.16 121.32 3kit n TYR 9 Ca 0.49 -0.10 0.00 0.00 -0.00 0.00 0.00 57.90 58.29 3kit n TYR 9 Cb 0.23 -0.13 0.00 0.00 -0.00 0.00 0.00 39.34 39.44 3kit n TYR 9 CO 0.00 0.00 0.00 -2.37 -0.00 0.00 0.00 176.86 174.49 3kit n THR 10 N 0.04 0.00 -0.10 -3.48 5.66 -1.26 -5.08 114.28 110.05 3kit n THR 10 Ca 0.04 0.00 -0.02 0.00 -3.05 0.00 0.00 64.05 61.02 3kit n THR 10 Cb 0.33 0.00 0.02 0.00 -1.55 0.00 0.00 70.33 69.13 3kit n THR 10 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 175.07 171.21 3kit n PRO 11 N -0.02 -1.98 0.00 1.09 -0.04 -1.26 -2.27 135.00 130.52 3kit n PRO 11 Ca 0.00 -0.08 0.00 0.00 -0.04 0.00 0.00 63.50 63.38 3kit n PRO 11 Cb 0.00 -0.10 0.00 0.00 -0.04 0.00 0.00 33.50 33.36 3kit n PRO 11 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3kit n SER 12 N -3.14 0.00 -1.53 3.54 3.41 -1.26 -4.04 113.62 110.60 3kit n SER 12 Ca 0.01 0.00 0.08 0.00 -0.26 0.00 0.00 58.87 58.70 3kit n SER 12 Cb 0.03 -0.03 0.35 0.00 -0.26 0.00 0.00 64.21 64.30 3kit n SER 12 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 3kit n ARG 13 N -0.07 4.07 -0.01 4.33 0.63 -0.96 -2.91 116.66 121.74 3kit n ARG 13 Ca 0.00 -2.98 0.11 0.00 -0.92 0.00 0.00 57.85 54.06 3kit n ARG 13 Cb 0.00 -2.04 -0.16 0.00 0.45 0.00 0.00 32.46 30.71 3kit n ARG 13 CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99 3kit n ARG 14 N 0.46 0.54 -0.00 -0.14 0.63 -1.21 -4.26 116.66 112.68 3kit n ARG 14 Ca 0.25 -0.16 0.01 0.00 -0.92 0.00 0.00 57.85 57.03 3kit n ARG 14 Cb 1.02 -1.52 -0.01 0.00 0.45 0.00 0.00 32.46 32.40 3kit n ARG 14 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 3kit n PHE 15 N -2.12 0.00 -1.69 -0.14 0.99 -1.25 -4.83 117.46 108.42 3kit n PHE 15 Ca -0.03 0.00 -0.44 0.00 -0.00 0.00 0.00 57.45 56.98 3kit n PHE 15 Cb 0.53 -0.03 -0.03 0.00 -1.00 0.00 0.00 39.48 38.94 3kit n PHE 15 CO 0.00 0.00 0.00 -0.12 -0.00 0.00 0.00 176.76 176.64 3kit n MET 16 N -1.50 2.27 -4.20 -1.08 1.56 -1.15 -4.67 117.12 108.35 3kit n MET 16 Ca -0.00 0.81 -0.16 0.00 -0.27 0.00 0.00 57.70 58.08 3kit n MET 16 Cb 0.04 -2.55 -0.14 0.00 2.15 0.00 0.00 33.22 32.72 3kit n MET 16 CO 0.00 0.00 0.00 0.95 -0.73 0.00 0.00 175.97 176.19 3kit s THR 17 N 0.42 0.57 0.33 1.12 -4.23 -0.72 -4.04 115.64 109.09 3kit s THR 17 Ca 0.72 -0.52 0.10 0.00 -1.18 0.00 0.00 61.69 60.81 3kit s THR 17 Cb -0.62 -0.52 -0.05 0.00 1.34 0.00 0.00 72.50 72.65 3kit s THR 17 CO 0.43 0.02 -0.04 -0.69 -0.54 0.00 0.00 174.62 173.80 3kit s VAL 18 N -0.48 2.60 0.74 2.29 1.01 -0.73 -3.85 120.40 121.99 3kit s VAL 18 Ca -0.00 -2.07 -0.12 0.00 0.00 0.00 0.00 61.98 59.78 3kit s VAL 18 Cb -0.05 -2.70 0.04 0.00 0.00 0.00 0.00 36.38 33.67 3kit s VAL 18 CO 0.00 -0.24 1.11 0.00 0.00 0.00 0.00 175.10 175.96 3kit s ALA 19 N -2.52 2.28 -0.61 5.51 0.00 -1.26 -0.43 121.76 124.72 3kit s ALA 19 Ca 0.33 0.41 -0.21 0.00 0.00 0.00 0.00 51.96 52.50 3kit s ALA 19 Cb -0.01 -3.31 0.09 0.00 0.00 0.00 0.00 23.12 19.89 3kit s ALA 19 CO 0.18 -1.67 0.81 0.34 0.00 0.00 0.00 175.76 175.43 3kit s ASP 20 N -3.02 6.18 -0.01 0.00 -1.08 -1.26 -4.38 116.67 113.10 3kit s ASP 20 Ca 0.64 -1.20 0.00 0.00 -0.52 0.00 0.00 52.55 51.47 3kit s ASP 20 Cb -0.19 -2.35 0.02 0.00 -1.46 0.00 0.00 42.92 38.94 3kit s ASP 20 CO 0.51 -1.24 0.80 0.49 0.52 0.00 0.00 175.17 176.25 3kit n PHE 21 N 6.91 0.07 0.01 -5.34 0.99 -1.26 -3.91 117.46 114.93 3kit n PHE 21 Ca -0.07 -0.30 -0.17 0.00 -0.00 0.00 0.00 57.45 56.91 3kit n PHE 21 Cb 0.44 -0.20 -0.07 0.00 -1.00 0.00 0.00 39.48 38.66 3kit n PHE 21 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.76 177.42 3kit h SER 22 N 0.06 0.85 -0.51 4.37 4.64 -2.01 -3.27 113.55 117.67 3kit h SER 22 Ca 0.01 -0.60 0.05 0.00 -0.47 0.00 0.00 61.79 60.78 3kit h SER 22 Cb 0.82 -0.25 -0.07 0.00 -0.31 0.00 0.00 62.40 62.58 3kit h SER 22 CO 0.02 1.39 -0.42 -0.33 -0.87 0.00 0.00 176.83 176.62 3kit h GLU 23 N 0.44 -0.14 0.00 4.77 4.39 -1.98 -3.16 114.58 118.90 3kit h GLU 23 Ca -0.08 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.63 3kit h GLU 23 Cb 1.50 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 30.18 3kit h GLU 23 CO 0.17 -0.10 0.00 0.44 -1.16 0.00 0.00 179.01 178.36 3kit n ILE 24 N -4.65 0.00 -0.36 3.13 -0.00 -1.25 -4.82 119.36 111.41 3kit n ILE 24 Ca -0.01 1.21 0.00 0.00 -0.00 0.00 0.00 62.75 63.96 3kit n ILE 24 Cb 0.22 -2.11 0.00 0.00 -0.00 0.00 0.00 39.64 37.75 3kit n ILE 24 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.55 176.96 3kit n THR 25 N -1.28 0.00 -2.97 7.28 -1.04 -1.20 -4.30 114.28 110.77 3kit n THR 25 Ca 0.00 0.00 -0.23 0.00 -2.04 0.00 0.00 64.05 61.78 3kit n THR 25 Cb 0.00 0.00 0.02 0.00 -1.82 0.00 0.00 70.33 68.53 3kit n THR 25 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 3kit n LYS 26 N -1.46 -1.18 0.00 -2.82 4.01 -1.26 -4.53 118.16 110.92 3kit n LYS 26 Ca 0.00 1.01 0.00 0.00 -0.51 0.00 0.00 58.31 58.81 3kit n LYS 26 Cb 0.37 -1.39 0.00 0.00 -0.51 0.00 0.00 35.03 33.50 3kit n LYS 26 CO 0.00 0.00 0.00 -2.37 -1.11 0.00 0.00 177.40 173.92 3kit n THR 27 N 0.24 0.00 -0.03 -0.18 5.66 -1.26 -4.43 114.28 114.28 3kit n THR 27 Ca -0.05 0.00 -0.07 0.00 -3.05 0.00 0.00 64.05 60.88 3kit n THR 27 Cb 0.52 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 69.28 3kit n THR 27 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 3kit n GLU 28 N 1.02 0.15 -2.59 1.09 4.71 -1.26 -4.59 120.64 119.17 3kit n GLU 28 Ca 0.00 0.06 -0.41 0.00 -0.01 0.00 0.00 57.16 56.80 3kit n GLU 28 Cb 0.00 -0.82 -0.04 0.00 -1.01 0.00 0.00 31.44 29.58 3kit n GLU 28 CO 0.00 0.00 0.00 -1.25 0.09 0.00 0.00 177.13 175.97 3kit s PRO 29 N -2.13 4.57 1.41 3.49 0.04 -1.26 -4.75 135.00 136.37 3kit s PRO 29 Ca -0.10 1.59 -0.24 0.00 0.04 0.00 0.00 61.00 62.30 3kit s PRO 29 Cb 0.04 -3.36 0.37 0.00 0.04 0.00 0.00 34.50 31.58 3kit s PRO 29 CO 0.13 0.00 0.86 0.39 0.04 0.00 0.00 177.00 178.42 3kit n GLU 30 N 3.22 -4.69 -2.92 4.56 -0.58 -1.26 -4.90 120.64 114.06 3kit n GLU 30 Ca 0.05 -1.44 -0.44 0.00 -0.42 0.00 0.00 57.16 54.91 3kit n GLU 30 Cb 0.48 -1.82 -0.03 0.00 -0.57 0.00 0.00 31.44 29.50 3kit n GLU 30 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 3kit s LYS 31 N -5.05 3.41 0.47 3.49 2.47 -1.26 -4.87 119.74 118.40 3kit s LYS 31 Ca 0.65 -1.46 0.03 0.00 -1.56 0.00 0.00 55.97 53.63 3kit s LYS 31 Cb -0.11 -4.66 0.18 0.00 -1.46 0.00 0.00 37.83 31.77 3kit s LYS 31 CO 0.54 -1.76 0.97 1.03 0.16 0.00 0.00 175.35 176.29 3kit h SER 32 N 9.07 0.00 0.00 1.43 0.87 -1.98 -3.11 113.55 119.83 3kit h SER 32 Ca -0.01 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.55 3kit h SER 32 Cb 1.04 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.00 3kit h SER 32 CO 1.13 0.00 0.00 -0.11 -0.53 0.00 0.00 176.83 177.32 3kit n LEU 33 N -2.13 0.00 0.00 2.23 0.00 -1.26 -4.39 117.00 111.45 3kit n LEU 33 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.01 3kit n LEU 33 Cb 0.78 0.00 0.00 0.00 0.00 0.00 0.00 43.42 44.20 3kit n LEU 33 CO 0.01 0.00 0.00 1.33 0.00 0.00 0.00 177.39 178.74 3kit n VAL 34 N 0.00 0.00 0.00 1.96 0.24 -1.18 -4.09 118.33 115.25 3kit n VAL 34 Ca 0.00 0.51 0.00 0.00 -2.04 0.00 0.00 64.34 62.81 3kit n VAL 34 Cb 0.00 -1.22 0.00 0.00 -1.47 0.00 0.00 33.84 31.15 3kit n VAL 34 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 3kit n LYS 35 N -0.02 0.00 -0.35 7.34 0.00 -1.18 -4.60 118.16 119.36 3kit n LYS 35 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 58.31 58.25 3kit n LYS 35 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 35.03 34.98 3kit n LYS 35 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 3kit n PRO 36 N -0.33 0.00 -3.68 1.64 -0.04 -1.25 -3.87 135.00 127.47 3kit n PRO 36 Ca 0.00 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.24 3kit n PRO 36 Cb 0.00 -0.26 -0.18 0.00 -0.04 0.00 0.00 33.50 33.02 3kit n PRO 36 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3kit s LEU 37 N 0.50 0.28 0.03 1.53 2.01 -1.19 -5.02 118.68 116.83 3kit s LEU 37 Ca 0.31 -0.10 -0.34 0.00 0.01 0.00 0.00 54.13 54.01 3kit s LEU 37 Cb -0.22 -0.22 -0.13 0.00 0.01 0.00 0.00 46.19 45.63 3kit s LEU 37 CO 0.13 -0.26 1.74 1.17 1.01 0.00 0.00 176.35 180.13 3kit n LYS 38 N 5.26 2.18 -4.14 1.70 4.81 -1.26 -2.22 118.16 124.49 3kit n LYS 38 Ca -0.05 0.79 -0.36 0.00 -0.87 0.00 0.00 58.31 57.83 3kit n LYS 38 Cb 0.50 -2.61 -0.08 0.00 0.02 0.00 0.00 35.03 32.86 3kit n LYS 38 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 3kit s LYS 39 N 2.56 3.31 -0.01 1.64 2.20 -1.26 -4.88 119.74 123.30 3kit s LYS 39 Ca 0.86 -0.30 -0.22 0.00 -0.36 0.00 0.00 55.97 55.95 3kit s LYS 39 Cb -0.68 -3.00 -0.05 0.00 -1.51 0.00 0.00 37.83 32.59 3kit s LYS 39 CO 0.45 0.66 0.67 0.99 -0.36 0.00 0.00 175.35 177.75 3kit s THR 40 N -0.73 4.92 0.00 3.43 2.01 -1.26 -5.00 115.64 119.01 3kit s THR 40 Ca 0.12 1.39 0.00 0.00 0.31 0.00 0.00 61.69 63.51 3kit s THR 40 Cb -0.12 -4.01 0.00 0.00 0.01 0.00 0.00 72.50 68.39 3kit s THR 40 CO 0.03 0.35 0.00 0.61 -0.69 0.00 0.00 174.62 174.92 3kit n GLY 41 N 2.66 0.84 1.57 4.40 0.00 -1.26 -5.06 105.19 108.34 3kit n GLY 41 Ca -0.04 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.68 3kit n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kit n GLY 42 N 5.00 -4.62 0.12 -0.02 0.00 -1.26 -4.84 105.19 99.57 3kit n GLY 42 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.67 3kit n GLY 42 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3kit n ARG 43 N 1.09 0.86 -3.92 1.61 -4.01 -1.26 -4.90 116.66 106.13 3kit n ARG 43 Ca 0.00 0.00 -0.09 0.00 -1.04 0.00 0.00 57.85 56.72 3kit n ARG 43 Cb 0.00 -1.10 -0.05 0.00 -3.04 0.00 0.00 32.46 28.27 3kit n ARG 43 CO 0.00 0.00 0.00 0.54 -3.04 0.00 0.00 177.63 175.13 3kit s ASN 44 N -0.89 -0.13 0.00 2.89 4.22 -1.26 -3.87 114.94 115.90 3kit s ASN 44 Ca 0.00 -0.79 0.00 0.00 -2.14 0.00 0.00 52.86 49.93 3kit s ASN 44 Cb 0.00 0.58 0.00 0.00 1.28 0.00 0.00 41.25 43.11 3kit s ASN 44 CO 0.00 -1.11 0.00 -0.46 -2.04 0.00 0.00 177.10 173.49 3kit n ASN 45 N -0.36 0.00 -4.57 3.54 0.23 -1.20 -4.85 115.26 108.05 3kit n ASN 45 Ca -0.04 0.00 -0.36 0.00 -0.53 0.00 0.00 54.58 53.64 3kit n ASN 45 Cb 0.62 0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 38.29 3kit n ASN 45 CO 0.00 0.00 0.00 -1.10 -0.93 0.00 0.00 177.26 175.23 3kit s GLN 46 N 0.42 3.31 0.00 -3.83 1.11 -1.26 -4.62 119.66 114.79 3kit s GLN 46 Ca 0.00 -1.36 0.00 0.00 0.01 0.00 0.00 55.36 54.01 3kit s GLN 46 Cb 0.00 -5.36 0.00 0.00 -1.01 0.00 0.00 33.01 26.64 3kit s GLN 46 CO 0.00 -2.86 0.00 0.41 0.01 0.00 0.00 175.29 172.85 3kit n GLY 47 N 6.03 1.04 3.37 3.09 0.00 -1.26 -5.04 105.19 112.42 3kit n GLY 47 Ca 0.43 -0.94 -0.38 0.00 0.00 0.00 0.00 46.02 45.13 3kit n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kit n ARG 48 N 0.00 0.28 -3.04 1.61 5.12 -1.26 -4.89 116.66 114.48 3kit n ARG 48 Ca 0.00 0.11 -0.40 0.00 -1.93 0.00 0.00 57.85 55.64 3kit n ARG 48 Cb 0.00 -1.46 -0.05 0.00 -1.16 0.00 0.00 32.46 29.79 3kit n ARG 48 CO 0.00 0.00 0.00 -1.50 -1.93 0.00 0.00 177.63 174.20 3kit s ILE 49 N -1.86 4.86 -0.04 0.55 2.07 -1.26 -3.21 121.20 122.31 3kit s ILE 49 Ca 0.63 1.51 0.00 0.00 -1.41 0.00 0.00 60.65 61.38 3kit s ILE 49 Cb -0.43 -4.06 0.01 0.00 0.13 0.00 0.00 42.46 38.11 3kit s ILE 49 CO 0.60 0.34 0.96 0.35 -1.91 0.00 0.00 174.94 175.29 3kit n THR 50 N 3.08 0.91 -3.36 4.00 -2.24 -1.25 -4.87 114.28 110.55 3kit n THR 50 Ca -0.03 -0.95 -0.12 0.00 -2.27 0.00 0.00 64.05 60.68 3kit n THR 50 Cb 0.51 0.55 -0.08 0.00 -2.10 0.00 0.00 70.33 69.20 3kit n THR 50 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3kit s VAL 51 N -0.91 -0.54 0.80 2.28 1.01 -1.25 -5.08 120.40 116.70 3kit s VAL 51 Ca 0.01 -0.24 -0.13 0.00 0.00 0.00 0.00 61.98 61.61 3kit s VAL 51 Cb 0.00 -0.90 0.08 0.00 0.00 0.00 0.00 36.38 35.56 3kit s VAL 51 CO 0.01 -0.26 1.20 -0.13 0.00 0.00 0.00 175.10 175.92 3kit s ARG 52 N 2.48 1.71 -1.51 2.72 0.52 -1.26 -4.01 118.95 119.60 3kit s ARG 52 Ca 0.10 1.75 -0.06 0.00 -0.52 0.00 0.00 55.73 57.01 3kit s ARG 52 Cb -0.14 -1.78 0.01 0.00 0.52 0.00 0.00 34.95 33.56 3kit s ARG 52 CO -0.24 -2.16 0.74 1.19 0.02 0.00 0.00 175.30 174.86 3kit n PHE 53 N -3.22 -2.18 -4.30 -0.53 3.72 -1.26 -4.97 117.46 104.72 3kit n PHE 53 Ca 0.13 0.64 -0.24 0.00 -0.05 0.00 0.00 57.45 57.93 3kit n PHE 53 Cb 0.50 -4.57 -0.08 0.00 -0.94 0.00 0.00 39.48 34.39 3kit n PHE 53 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 3kit s ARG 54 N -5.87 2.21 0.00 -1.08 1.81 -1.26 -0.61 118.95 114.15 3kit s ARG 54 Ca 0.38 -1.38 0.00 0.00 -1.72 0.00 0.00 55.73 53.01 3kit s ARG 54 Cb -0.17 -2.15 0.00 0.00 -0.45 0.00 0.00 34.95 32.18 3kit s ARG 54 CO 0.47 0.39 0.00 0.41 -0.68 0.00 0.00 175.30 175.89 3kit n GLY 55 N -0.59 3.82 6.94 -3.53 0.00 -1.03 -4.75 105.19 106.05 3kit n GLY 55 Ca -0.08 -1.71 0.00 0.00 0.00 0.00 0.00 46.02 44.23 3kit n GLY 55 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kit n GLY 56 N -1.46 -1.83 0.05 -0.02 0.00 -1.26 -4.28 105.19 96.39 3kit n GLY 56 Ca 0.00 -1.33 0.00 0.00 0.00 0.00 0.00 46.02 44.69 3kit n GLY 56 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kit n GLY 57 N -0.02 -0.04 1.28 -0.02 0.00 -1.21 -4.23 105.19 100.94 3kit n GLY 57 Ca 0.00 -1.19 -0.17 0.00 0.00 0.00 0.00 46.02 44.66 3kit n GLY 57 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3kit n HIS 58 N 1.91 -0.54 -1.05 1.61 -0.00 -1.05 -4.83 115.22 111.27 3kit n HIS 58 Ca 0.00 0.29 -0.34 0.00 -0.00 0.00 0.00 57.72 57.68 3kit n HIS 58 Cb 0.00 -0.71 0.12 0.00 -0.00 0.00 0.00 29.99 29.40 3kit n HIS 58 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.34 177.51 3kit n LYS 59 N 0.46 0.08 -3.68 1.57 3.00 -1.26 -5.01 118.16 113.32 3kit n LYS 59 Ca 0.05 0.10 -0.10 0.00 -0.00 0.00 0.00 58.31 58.36 3kit n LYS 59 Cb 0.13 -2.28 -0.10 0.00 0.00 0.00 0.00 35.03 32.78 3kit n LYS 59 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.40 177.90 3kit s ARG 60 N -3.91 0.43 0.02 1.64 3.52 -1.26 -5.14 118.95 114.24 3kit s ARG 60 Ca 0.70 0.88 -0.07 0.00 -0.13 0.00 0.00 55.73 57.10 3kit s ARG 60 Cb -0.28 0.04 -0.05 0.00 -1.56 0.00 0.00 34.95 33.10 3kit s ARG 60 CO 0.54 -0.17 0.29 -1.17 -0.81 0.00 0.00 175.30 173.98 3kit s LEU 61 N 1.57 4.37 -0.30 -0.88 2.96 -1.26 -4.39 118.68 120.74 3kit s LEU 61 Ca -0.09 0.58 -0.12 0.00 -0.22 0.00 0.00 54.13 54.29 3kit s LEU 61 Cb -0.08 -2.73 -0.04 0.00 0.50 0.00 0.00 46.19 43.84 3kit s LEU 61 CO -0.14 0.24 0.22 -0.47 -1.32 0.00 0.00 176.35 174.88 3kit s TYR 62 N -1.32 3.22 -0.04 5.38 6.14 -0.94 -4.81 117.35 124.98 3kit s TYR 62 Ca 0.28 0.02 -0.29 0.00 0.64 0.00 0.00 57.07 57.73 3kit s TYR 62 Cb -0.13 -2.42 -0.03 0.00 0.42 0.00 0.00 41.96 39.80 3kit s TYR 62 CO 0.17 -0.23 0.96 1.03 0.64 0.00 0.00 175.55 178.11 3kit s ARG 63 N 1.76 4.50 -0.55 4.97 3.00 -1.26 -3.18 118.95 128.20 3kit s ARG 63 Ca 0.07 1.35 -0.21 0.00 0.00 0.00 0.00 55.73 56.94 3kit s ARG 63 Cb -0.16 -3.48 0.06 0.00 0.00 0.00 0.00 34.95 31.36 3kit s ARG 63 CO 0.11 -0.12 0.77 -1.50 0.00 0.00 0.00 175.30 174.56 3kit s ILE 64 N 1.29 4.66 0.33 1.52 2.07 -1.25 -4.96 121.20 124.86 3kit s ILE 64 Ca 0.49 -0.30 0.02 0.00 -1.41 0.00 0.00 60.65 59.45 3kit s ILE 64 Cb -0.20 -4.44 -0.03 0.00 0.13 0.00 0.00 42.46 37.93 3kit s ILE 64 CO 0.24 -1.01 0.51 0.27 -1.91 0.00 0.00 174.94 173.04 3kit s ILE 65 N 3.20 5.05 -0.74 2.00 -0.00 -1.26 -4.38 121.20 125.06 3kit s ILE 65 Ca 0.20 -0.60 -0.20 0.00 -0.00 0.00 0.00 60.65 60.05 3kit s ILE 65 Cb -0.17 -3.83 0.11 0.00 -0.00 0.00 0.00 42.46 38.57 3kit s ILE 65 CO 0.13 -0.48 0.93 -0.62 -0.00 0.00 0.00 174.94 174.90 3kit s ASP 66 N -4.04 6.36 0.00 4.36 2.15 0.26 -4.90 116.67 120.85 3kit s ASP 66 Ca 0.39 -1.57 0.16 0.00 0.43 0.00 0.00 52.55 51.96 3kit s ASP 66 Cb -0.09 -2.37 0.51 0.00 -0.30 0.00 0.00 42.92 40.67 3kit s ASP 66 CO 0.34 -1.17 1.40 0.49 -0.17 0.00 0.00 175.17 176.06 3kit n PHE 67 N 6.70 0.39 -3.58 -5.34 0.99 -1.26 -4.56 117.46 110.79 3kit n PHE 67 Ca 0.05 -0.19 -0.28 0.00 -0.00 0.00 0.00 57.45 57.02 3kit n PHE 67 Cb 0.46 0.00 -0.16 0.00 -1.00 0.00 0.00 39.48 38.78 3kit n PHE 67 CO 0.00 0.00 0.00 -1.59 -0.00 0.00 0.00 176.76 175.17 3kit s LYS 68 N -1.61 0.17 0.06 -1.08 -2.85 -1.26 0.44 119.74 113.61 3kit s LYS 68 Ca 0.29 -0.35 0.25 0.00 -1.00 0.00 0.00 55.97 55.16 3kit s LYS 68 Cb 0.15 -1.50 0.59 0.00 -2.06 0.00 0.00 37.83 35.01 3kit s LYS 68 CO 0.22 -0.86 1.49 0.54 0.10 0.00 0.00 175.35 176.84 3kit n ARG 69 N 5.24 0.12 0.00 1.78 1.74 -1.26 -3.87 116.66 120.41 3kit n ARG 69 Ca -0.06 0.05 0.00 0.00 -0.77 0.00 0.00 57.85 57.06 3kit n ARG 69 Cb 0.45 -1.59 0.01 0.00 -1.02 0.00 0.00 32.46 30.31 3kit n ARG 69 CO 0.00 0.00 0.00 -2.67 -1.52 0.00 0.00 177.63 173.44 3kit n TRP 70 N -1.77 0.00 0.11 -1.55 2.14 -1.26 -2.34 117.44 112.77 3kit n TRP 70 Ca 0.05 0.00 -0.12 0.00 2.07 0.00 0.00 57.50 59.50 3kit n TRP 70 Cb 0.38 -0.15 -0.06 0.00 -0.81 0.00 0.00 31.31 30.68 3kit n TRP 70 CO 0.00 0.00 0.00 -0.44 2.07 0.00 0.00 177.69 179.32 3kit h ASP 71 N 0.00 -0.64 -2.33 -0.67 3.32 -1.97 -3.29 116.42 110.83 3kit h ASP 71 Ca 0.00 0.08 -0.68 0.00 0.02 0.00 0.00 57.03 56.45 3kit h ASP 71 Cb 0.00 0.25 -0.36 0.00 0.22 0.00 0.00 39.33 39.43 3kit h ASP 71 CO 0.00 -0.31 -0.02 0.29 -1.72 0.00 0.00 179.24 177.48 3kit n LYS 72 N -5.35 3.86 -1.76 3.56 5.02 -0.99 -5.07 118.16 117.43 3kit n LYS 72 Ca -0.07 -4.75 -0.42 0.00 -2.02 0.00 0.00 58.31 51.06 3kit n LYS 72 Cb 0.26 -2.34 -0.02 0.00 -0.02 0.00 0.00 35.03 32.92 3kit n LYS 72 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3kit s VAL 73 N -3.89 2.05 0.00 -0.18 1.01 -1.24 -2.36 120.40 115.78 3kit s VAL 73 Ca 0.43 0.04 0.00 0.00 0.00 0.00 0.00 61.98 62.45 3kit s VAL 73 Cb 0.21 -3.02 0.00 0.00 0.00 0.00 0.00 36.38 33.56 3kit s VAL 73 CO -0.09 0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.63 3kit n GLY 74 N 2.58 2.34 3.64 4.51 0.00 -0.66 -4.96 105.19 112.64 3kit n GLY 74 Ca 0.10 -0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.69 3kit n GLY 74 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kit s ILE 75 N -0.05 4.07 0.71 -0.61 1.01 -1.00 -4.91 121.20 120.44 3kit s ILE 75 Ca 0.00 1.25 -0.07 0.00 0.00 0.00 0.00 60.65 61.83 3kit s ILE 75 Cb 0.00 -3.99 0.07 0.00 0.01 0.00 0.00 42.46 38.55 3kit s ILE 75 CO 0.00 -0.32 1.03 -2.16 0.00 0.00 0.00 174.94 173.49 3kit s PRO 76 N 4.05 2.12 -0.01 2.79 0.04 -1.26 -4.51 135.00 138.22 3kit s PRO 76 Ca 0.59 -0.28 -0.19 0.00 0.04 0.00 0.00 61.00 61.16 3kit s PRO 76 Cb -0.21 -2.16 0.04 0.00 0.04 0.00 0.00 34.50 32.21 3kit s PRO 76 CO 0.22 -1.29 0.42 0.00 0.04 0.00 0.00 177.00 176.39 3kit s ALA 77 N -3.27 -1.06 -0.15 8.56 0.00 0.55 -2.27 121.76 124.12 3kit s ALA 77 Ca 0.61 0.57 -0.12 0.00 0.00 0.00 0.00 51.96 53.02 3kit s ALA 77 Cb -0.10 0.10 -0.05 0.00 0.00 0.00 0.00 23.12 23.07 3kit s ALA 77 CO 0.45 -0.32 0.25 0.21 0.00 0.00 0.00 175.76 176.35 3kit s LYS 78 N -1.47 4.13 -0.77 0.00 2.20 0.61 -0.70 119.74 123.73 3kit s LYS 78 Ca -0.12 0.02 -0.25 0.00 -0.36 0.00 0.00 55.97 55.26 3kit s LYS 78 Cb -0.03 -3.38 -0.03 0.00 -1.51 0.00 0.00 37.83 32.87 3kit s LYS 78 CO 0.05 0.35 1.89 0.08 -0.36 0.00 0.00 175.35 177.35 3kit s VAL 79 N 0.16 3.42 0.15 4.02 1.01 0.50 -1.38 120.40 128.27 3kit s VAL 79 Ca 0.15 -0.11 -0.14 0.00 0.00 0.00 0.00 61.98 61.88 3kit s VAL 79 Cb -0.13 -4.01 0.03 0.00 0.00 0.00 0.00 36.38 32.28 3kit s VAL 79 CO 0.03 -0.96 1.72 0.00 0.00 0.00 0.00 175.10 175.90 3kit h ALA 80 N 12.90 0.63 -2.01 5.51 0.00 -1.65 0.26 119.26 134.89 3kit h ALA 80 Ca -0.07 -0.13 0.18 0.00 0.00 0.00 0.00 54.91 54.90 3kit h ALA 80 Cb 1.08 -0.19 -0.14 0.00 0.00 0.00 0.00 17.79 18.54 3kit h ALA 80 CO 1.22 0.20 0.60 0.00 0.00 0.00 0.00 179.25 181.28 3kit s ALA 81 N -5.65 -1.89 -0.21 0.00 0.00 -0.62 -4.70 121.76 108.68 3kit s ALA 81 Ca -0.13 0.90 -0.00 0.00 0.00 0.00 0.00 51.96 52.72 3kit s ALA 81 Cb 0.11 0.35 0.02 0.00 0.00 0.00 0.00 23.12 23.60 3kit s ALA 81 CO 0.76 -0.80 -0.13 0.42 0.00 0.00 0.00 175.76 176.02 3kit s ILE 82 N -2.92 2.50 0.31 0.00 1.01 -1.26 0.12 121.20 120.97 3kit s ILE 82 Ca 0.09 -0.97 0.06 0.00 0.00 0.00 0.00 60.65 59.83 3kit s ILE 82 Cb -0.00 -2.18 -0.06 0.00 0.01 0.00 0.00 42.46 40.22 3kit s ILE 82 CO -0.05 0.36 -0.03 -1.83 0.00 0.00 0.00 174.94 173.39 3kit s GLU 83 N 1.31 1.66 0.44 2.79 -1.05 0.82 -4.13 118.70 120.53 3kit s GLU 83 Ca 0.02 -1.87 -0.23 0.00 -0.15 0.00 0.00 54.97 52.74 3kit s GLU 83 Cb -0.15 -1.22 -0.08 0.00 -0.44 0.00 0.00 34.13 32.24 3kit s GLU 83 CO -0.08 -0.01 1.11 -0.47 0.95 0.00 0.00 175.26 176.76 3kit s TYR 84 N -2.99 3.05 -0.16 4.83 5.04 -1.26 -1.91 117.35 123.94 3kit s TYR 84 Ca 0.32 1.58 -0.04 0.00 -2.44 0.00 0.00 57.07 56.49 3kit s TYR 84 Cb 0.05 -3.25 0.08 0.00 0.35 0.00 0.00 41.96 39.19 3kit s TYR 84 CO 0.14 -1.10 0.21 0.34 -1.34 0.00 0.00 175.55 173.80 3kit s ASP 85 N -1.48 1.08 0.00 4.32 2.15 -1.26 -4.85 116.67 116.63 3kit s ASP 85 Ca 0.61 0.04 0.14 0.00 0.43 0.00 0.00 52.55 53.77 3kit s ASP 85 Cb -0.25 0.39 0.65 0.00 -0.30 0.00 0.00 42.92 43.41 3kit s ASP 85 CO 0.31 -0.29 1.41 -0.81 -0.17 0.00 0.00 175.17 175.62 3kit n PRO 86 N 5.32 0.10 -0.32 4.34 -0.04 -1.26 -3.41 135.00 139.73 3kit n PRO 86 Ca -0.05 0.21 0.12 0.00 -0.04 0.00 0.00 63.50 63.73 3kit n PRO 86 Cb 0.50 -1.50 0.29 0.00 -0.04 0.00 0.00 33.50 32.75 3kit n PRO 86 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3kit n ASN 87 N -1.39 3.80 -3.49 3.54 3.02 -1.26 -4.98 115.26 114.50 3kit n ASN 87 Ca 0.05 -2.00 -0.13 0.00 -0.03 0.00 0.00 54.58 52.47 3kit n ASN 87 Cb 0.14 -0.42 -0.04 0.00 -0.61 0.00 0.00 39.78 38.85 3kit n ASN 87 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3kit s ARG 88 N -1.16 1.02 0.21 3.52 1.70 -1.22 -5.05 118.95 117.97 3kit s ARG 88 Ca 0.46 -0.10 -0.10 0.00 -0.47 0.00 0.00 55.73 55.53 3kit s ARG 88 Cb 0.25 0.47 0.17 0.00 -0.57 0.00 0.00 34.95 35.27 3kit s ARG 88 CO 0.33 -0.39 1.88 0.66 -1.08 0.00 0.00 175.30 176.70 3kit h SER 89 N 2.43 0.91 -4.31 -2.89 4.64 -1.90 -3.44 113.55 108.99 3kit h SER 89 Ca -0.27 -0.04 -0.50 0.00 -0.47 0.00 0.00 61.79 60.51 3kit h SER 89 Cb 1.22 -0.23 0.10 0.00 -0.31 0.00 0.00 62.40 63.18 3kit h SER 89 CO 0.36 0.68 0.35 0.00 -0.87 0.00 0.00 176.83 177.35 3kit s ALA 90 N -6.08 2.45 0.34 5.18 0.00 -1.26 -4.55 121.76 117.84 3kit s ALA 90 Ca -0.13 -0.07 0.07 0.00 0.00 0.00 0.00 51.96 51.83 3kit s ALA 90 Cb 0.15 -3.14 -0.01 0.00 0.00 0.00 0.00 23.12 20.12 3kit s ALA 90 CO 0.79 -1.50 0.47 1.03 0.00 0.00 0.00 175.76 176.55 3kit s ARG 91 N -5.10 3.08 0.15 0.00 0.52 -1.26 -4.71 118.95 111.64 3kit s ARG 91 Ca 0.60 -1.04 0.09 0.00 -0.52 0.00 0.00 55.73 54.86 3kit s ARG 91 Cb -0.14 -2.80 -0.04 0.00 0.52 0.00 0.00 34.95 32.48 3kit s ARG 91 CO 0.55 0.04 -0.17 0.96 0.02 0.00 0.00 175.30 176.69 3kit s ILE 92 N -2.19 2.83 -0.20 1.52 -4.36 -0.80 -1.26 121.20 116.74 3kit s ILE 92 Ca 0.46 -1.67 -0.02 0.00 -0.26 0.00 0.00 60.65 59.16 3kit s ILE 92 Cb -0.09 -2.34 0.00 0.00 1.25 0.00 0.00 42.46 41.27 3kit s ILE 92 CO 0.31 -0.01 -0.11 0.00 0.24 0.00 0.00 174.94 175.37 3kit s ALA 93 N -1.42 2.61 -0.19 2.27 0.00 0.40 -0.13 121.76 125.30 3kit s ALA 93 Ca 0.21 -1.17 -0.23 0.00 0.00 0.00 0.00 51.96 50.76 3kit s ALA 93 Cb -0.09 -1.47 -0.02 0.00 0.00 0.00 0.00 23.12 21.54 3kit s ALA 93 CO 0.11 -0.36 0.73 -1.17 0.00 0.00 0.00 175.76 175.08 3kit s LEU 94 N 1.34 4.15 -0.03 0.00 1.98 0.32 -1.55 118.68 124.90 3kit s LEU 94 Ca 0.04 0.99 0.05 0.00 -2.89 0.00 0.00 54.13 52.33 3kit s LEU 94 Cb -0.14 -3.06 -0.01 0.00 0.66 0.00 0.00 46.19 43.64 3kit s LEU 94 CO -0.06 -0.35 -0.17 -1.48 -1.89 0.00 0.00 176.35 172.39 3kit s LEU 95 N 2.10 1.97 -0.26 -0.68 0.05 -0.74 -1.58 118.68 119.54 3kit s LEU 95 Ca 0.33 -0.33 -0.14 0.00 0.05 0.00 0.00 54.13 54.04 3kit s LEU 95 Cb -0.16 -0.93 -0.04 0.00 -2.05 0.00 0.00 46.19 43.01 3kit s LEU 95 CO 0.11 0.19 0.35 -1.00 -0.55 0.00 0.00 176.35 175.45 3kit s HIS 96 N -0.19 3.27 0.57 3.48 3.76 -0.48 -2.26 115.29 123.43 3kit s HIS 96 Ca 0.02 0.41 -0.10 0.00 -0.15 0.00 0.00 55.06 55.24 3kit s HIS 96 Cb -0.09 -2.53 -0.04 0.00 1.11 0.00 0.00 32.58 31.02 3kit s HIS 96 CO 0.01 -0.17 0.96 0.71 -0.85 0.00 0.00 174.74 175.40 3kit s TYR 97 N 1.86 3.59 0.35 1.40 1.51 0.72 -0.29 117.35 126.49 3kit s TYR 97 Ca 0.15 1.20 0.17 0.00 -1.01 0.00 0.00 57.07 57.58 3kit s TYR 97 Cb -0.15 -2.63 0.88 0.00 -0.11 0.00 0.00 41.96 39.95 3kit s TYR 97 CO 0.09 -0.54 1.87 0.28 -1.11 0.00 0.00 175.55 176.14 3kit h VAL 98 N -0.00 1.05 -1.10 0.71 2.07 -1.75 -0.85 116.25 116.38 3kit h VAL 98 Ca -0.45 -1.12 0.31 0.00 0.82 0.00 0.00 66.70 66.26 3kit h VAL 98 Cb 1.19 1.63 -0.05 0.00 -1.52 0.00 0.00 31.29 32.54 3kit h VAL 98 CO 0.62 0.30 0.78 -0.78 0.02 0.00 0.00 177.57 178.51 3kit h ASP 99 N 0.00 0.09 0.00 0.57 -0.00 -1.91 -3.44 116.42 111.72 3kit h ASP 99 Ca -0.00 0.02 0.00 0.00 -0.00 0.00 0.00 57.03 57.04 3kit h ASP 99 Cb 0.61 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.94 3kit h ASP 99 CO 0.04 0.02 0.00 0.61 -0.00 0.00 0.00 179.24 179.91 3kit n GLY 100 N -1.70 2.75 3.79 -0.78 0.00 -0.32 -5.08 105.19 103.85 3kit n GLY 100 Ca 0.24 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.90 3kit n GLY 100 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3kit s GLU 101 N -0.46 4.31 0.06 1.61 2.12 -1.26 -4.72 118.70 120.36 3kit s GLU 101 Ca 0.00 1.40 0.08 0.00 0.36 0.00 0.00 54.97 56.81 3kit s GLU 101 Cb 0.00 -2.58 -0.03 0.00 0.26 0.00 0.00 34.13 31.78 3kit s GLU 101 CO 0.00 0.01 -0.18 0.15 -0.54 0.00 0.00 175.26 174.70 3kit s LYS 102 N -2.44 1.98 0.29 4.30 1.02 -1.26 -0.20 119.74 123.42 3kit s LYS 102 Ca 0.56 -1.04 -0.05 0.00 0.02 0.00 0.00 55.97 55.45 3kit s LYS 102 Cb -0.19 -2.16 -0.01 0.00 -0.52 0.00 0.00 37.83 34.95 3kit s LYS 102 CO 0.24 0.52 0.42 1.03 -0.92 0.00 0.00 175.35 176.64 3kit s ARG 103 N -1.64 1.68 -0.11 1.68 1.81 -0.96 -4.91 118.95 116.50 3kit s ARG 103 Ca 0.16 -1.58 0.02 0.00 -1.72 0.00 0.00 55.73 52.61 3kit s ARG 103 Cb -0.10 0.42 -0.01 0.00 -0.45 0.00 0.00 34.95 34.81 3kit s ARG 103 CO 0.07 -0.68 -0.19 0.71 -0.68 0.00 0.00 175.30 174.53 3kit s TYR 104 N -3.54 2.67 0.01 -0.53 4.12 -1.26 -1.79 117.35 117.03 3kit s TYR 104 Ca 0.29 -0.87 0.08 0.00 0.02 0.00 0.00 57.07 56.60 3kit s TYR 104 Cb 0.01 -1.77 -0.02 0.00 -1.52 0.00 0.00 41.96 38.65 3kit s TYR 104 CO 0.15 -0.33 -0.25 -1.50 0.02 0.00 0.00 175.55 173.65 3kit s ILE 105 N 0.35 2.18 -0.27 2.71 1.10 -0.60 -0.58 121.20 126.09 3kit s ILE 105 Ca -0.15 -1.20 -0.28 0.00 -0.51 0.00 0.00 60.65 58.50 3kit s ILE 105 Cb -0.17 -1.80 -0.03 0.00 0.15 0.00 0.00 42.46 40.61 3kit s ILE 105 CO 0.07 0.49 1.93 -0.51 -2.11 0.00 0.00 174.94 174.82 3kit s ILE 106 N -0.71 3.32 -0.38 2.00 2.07 -1.26 -0.45 121.20 125.78 3kit s ILE 106 Ca 0.11 0.33 -0.30 0.00 -1.41 0.00 0.00 60.65 59.38 3kit s ILE 106 Cb -0.10 -3.41 -0.09 0.00 0.13 0.00 0.00 42.46 38.99 3kit s ILE 106 CO 0.01 -0.25 2.30 0.00 -1.91 0.00 0.00 174.94 175.08 3kit n ALA 107 N 10.56 1.20 -1.40 1.50 0.00 -0.39 -4.80 120.51 127.17 3kit n ALA 107 Ca 0.25 -0.36 -0.32 0.00 0.00 0.00 0.00 53.44 53.01 3kit n ALA 107 Cb 0.46 -2.83 0.07 0.00 0.00 0.00 0.00 19.45 17.15 3kit n ALA 107 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3kit s PRO 108 N 6.99 2.58 -0.05 0.00 0.04 -1.21 -4.44 135.00 138.91 3kit s PRO 108 Ca 1.06 1.21 -0.30 0.00 0.04 0.00 0.00 61.00 63.01 3kit s PRO 108 Cb -0.53 -1.93 -0.05 0.00 0.04 0.00 0.00 34.50 32.03 3kit s PRO 108 CO 0.38 -1.40 1.44 0.34 0.04 0.00 0.00 177.00 177.81 3kit s ASP 109 N -3.15 6.82 0.00 6.66 3.68 0.16 -2.96 116.67 127.88 3kit s ASP 109 Ca 0.63 2.06 0.00 0.00 2.13 0.00 0.00 52.55 57.36 3kit s ASP 109 Cb -0.18 -2.55 0.00 0.00 -1.45 0.00 0.00 42.92 38.74 3kit s ASP 109 CO 0.50 -0.78 0.00 0.61 0.13 0.00 0.00 175.17 175.63 3kit n GLY 110 N 3.77 3.03 3.54 2.66 0.00 -1.26 -4.65 105.19 112.27 3kit n GLY 110 Ca 0.14 -1.01 -0.46 0.00 0.00 0.00 0.00 46.02 44.69 3kit n GLY 110 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3kit n LEU 111 N 0.00 0.98 -4.17 0.99 -0.00 -1.15 -5.00 117.00 108.64 3kit n LEU 111 Ca 0.00 1.16 -0.11 0.00 -0.00 0.00 0.00 56.01 57.06 3kit n LEU 111 Cb 0.00 -1.19 -0.10 0.00 -0.00 0.00 0.00 43.42 42.13 3kit n LEU 111 CO 0.00 -1.78 -0.36 -1.10 -0.00 0.00 0.00 177.39 174.15 3kit s GLN 112 N -1.19 0.87 0.48 1.96 -0.21 -1.26 -4.99 119.66 115.31 3kit s GLN 112 Ca 0.63 -1.37 -0.24 0.00 0.02 0.00 0.00 55.36 54.40 3kit s GLN 112 Cb -0.79 -0.12 -0.08 0.00 1.00 0.00 0.00 33.01 33.03 3kit s GLN 112 CO 0.58 -0.08 1.37 0.28 -2.12 0.00 0.00 175.29 175.32 3kit n VAL 113 N -0.07 3.08 0.00 1.09 0.31 -1.26 -2.25 118.33 119.23 3kit n VAL 113 Ca -0.11 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.72 3kit n VAL 113 Cb 0.62 -1.72 0.00 0.00 -0.91 0.00 0.00 33.84 31.82 3kit n VAL 113 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3kit n GLY 114 N 0.69 2.44 3.64 2.92 0.00 0.91 -4.96 105.19 110.84 3kit n GLY 114 Ca 0.07 -0.03 -0.38 0.00 0.00 0.00 0.00 46.02 45.68 3kit n GLY 114 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3kit n GLN 115 N 0.00 1.13 -4.03 1.61 7.27 -0.95 -4.45 117.38 117.95 3kit n GLN 115 Ca 0.00 0.43 -0.31 0.00 0.07 0.00 0.00 57.00 57.19 3kit n GLN 115 Cb 0.00 -2.24 -0.06 0.00 2.41 0.00 0.00 30.24 30.35 3kit n GLN 115 CO 0.00 0.00 0.00 -1.14 0.07 0.00 0.00 177.06 175.99 3kit s GLN 116 N -2.68 2.97 0.13 3.69 0.74 -1.26 -0.37 119.66 122.88 3kit s GLN 116 Ca 0.73 -0.64 -0.10 0.00 0.05 0.00 0.00 55.36 55.40 3kit s GLN 116 Cb -0.44 -2.78 0.00 0.00 1.10 0.00 0.00 33.01 30.89 3kit s GLN 116 CO 0.49 0.58 0.27 0.54 -0.55 0.00 0.00 175.29 176.62 3kit s VAL 117 N -1.40 0.09 0.27 1.34 0.11 0.12 -4.96 120.40 115.98 3kit s VAL 117 Ca 0.30 -1.20 -0.21 0.00 -2.93 0.00 0.00 61.98 57.95 3kit s VAL 117 Cb -0.12 -1.57 0.05 0.00 -1.53 0.00 0.00 36.38 33.20 3kit s VAL 117 CO 0.23 -0.42 0.83 0.54 -3.33 0.00 0.00 175.10 172.95 3kit s VAL 118 N -3.91 0.00 -0.02 2.04 0.11 -1.26 -0.33 120.40 117.03 3kit s VAL 118 Ca 0.11 -0.87 -0.01 0.00 -2.93 0.00 0.00 61.98 58.28 3kit s VAL 118 Cb 0.04 -2.36 0.02 0.00 -1.53 0.00 0.00 36.38 32.54 3kit s VAL 118 CO -0.06 0.00 0.04 0.00 -3.33 0.00 0.00 175.10 171.76 3kit s ALA 119 N -3.10 -0.04 0.00 1.54 0.00 -1.26 -2.03 121.76 116.87 3kit s ALA 119 Ca 0.14 0.25 0.00 0.00 0.00 0.00 0.00 51.96 52.35 3kit s ALA 119 Cb -0.04 -0.18 0.00 0.00 0.00 0.00 0.00 23.12 22.90 3kit s ALA 119 CO 0.07 -0.07 0.00 0.41 0.00 0.00 0.00 175.76 176.17 3kit n GLY 120 N 3.66 2.01 0.19 0.00 0.00 0.88 -1.65 105.19 110.27 3kit n GLY 120 Ca -0.20 -1.09 -0.10 0.00 0.00 0.00 0.00 46.02 44.63 3kit n GLY 120 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3kit h PRO 121 N 0.00 -0.21 -0.51 1.61 0.11 -1.96 -2.81 132.00 128.24 3kit h PRO 121 Ca 0.00 0.01 0.10 0.00 0.11 0.00 0.00 66.00 66.23 3kit h PRO 121 Cb 0.00 0.05 -0.09 0.00 0.11 0.00 0.00 31.00 31.06 3kit h PRO 121 CO 0.00 -0.14 -0.10 0.38 -0.21 0.00 0.00 178.00 177.93 3kit h ASP 122 N -0.21 -0.42 -0.24 -2.05 3.04 -1.96 -3.46 116.42 111.12 3kit h ASP 122 Ca 0.07 0.15 -0.17 0.00 -3.24 0.00 0.00 57.03 53.83 3kit h ASP 122 Cb 0.31 0.29 0.02 0.00 -1.04 0.00 0.00 39.33 38.91 3kit h ASP 122 CO -0.18 -0.15 -0.07 0.00 -2.04 0.00 0.00 179.24 176.80 3kit n ALA 123 N -2.83 -1.37 -1.90 4.15 0.00 -1.06 -4.88 120.51 112.62 3kit n ALA 123 Ca 0.05 0.12 -0.41 0.00 0.00 0.00 0.00 53.44 53.20 3kit n ALA 123 Cb 0.27 -0.40 -0.04 0.00 0.00 0.00 0.00 19.45 19.29 3kit n ALA 123 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3kit s PRO 124 N -0.14 4.52 -1.16 0.00 0.04 -1.26 -4.93 135.00 132.07 3kit s PRO 124 Ca 0.18 1.91 -0.21 0.00 0.04 0.00 0.00 61.00 62.92 3kit s PRO 124 Cb -0.26 -3.19 -0.05 0.00 0.04 0.00 0.00 34.50 31.04 3kit s PRO 124 CO 0.14 0.01 1.91 -0.89 0.04 0.00 0.00 177.00 178.20 3kit n ILE 125 N 1.76 2.51 -3.79 0.56 2.08 -1.26 -4.78 119.36 116.44 3kit n ILE 125 Ca 0.02 -2.52 -0.14 0.00 0.56 0.00 0.00 62.75 60.67 3kit n ILE 125 Cb 0.44 -2.27 -0.15 0.00 -0.75 0.00 0.00 39.64 36.91 3kit n ILE 125 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3kit s GLN 126 N 5.42 -0.01 -0.22 0.38 -2.07 -1.26 -5.09 119.66 116.81 3kit s GLN 126 Ca 0.61 0.18 -0.19 0.00 -1.82 0.00 0.00 55.36 54.15 3kit s GLN 126 Cb 0.04 -0.19 -0.08 0.00 -1.09 0.00 0.00 33.01 31.69 3kit s GLN 126 CO 0.10 -0.13 0.93 0.28 -1.32 0.00 0.00 175.29 175.15 3kit n VAL 127 N 3.96 0.00 0.00 3.63 0.31 -1.26 -2.04 118.33 122.93 3kit n VAL 127 Ca -0.24 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.09 3kit n VAL 127 Cb 0.52 -0.22 0.00 0.00 -0.91 0.00 0.00 33.84 33.24 3kit n VAL 127 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3kit n GLY 128 N 3.24 1.05 3.88 2.92 0.00 -0.67 -4.80 105.19 110.80 3kit n GLY 128 Ca 0.24 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.96 3kit n GLY 128 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3kit s ASN 129 N -0.98 6.48 -0.01 1.61 0.01 -0.87 -4.63 114.94 116.56 3kit s ASN 129 Ca 0.00 1.15 0.07 0.00 -0.71 0.00 0.00 52.86 53.38 3kit s ASN 129 Cb 0.00 -2.33 -0.02 0.00 0.41 0.00 0.00 41.25 39.31 3kit s ASN 129 CO 0.00 -0.46 -0.23 0.00 -1.51 0.00 0.00 177.10 174.89 3kit s ALA 130 N -2.49 1.94 0.08 0.60 0.00 -0.86 -0.52 121.76 120.52 3kit s ALA 130 Ca 0.51 -1.02 -0.18 0.00 0.00 0.00 0.00 51.96 51.27 3kit s ALA 130 Cb -0.10 -0.48 0.04 0.00 0.00 0.00 0.00 23.12 22.58 3kit s ALA 130 CO 0.34 0.47 0.44 -0.51 0.00 0.00 0.00 175.76 176.50 3kit s LEU 131 N -0.64 0.27 0.34 0.00 1.02 -0.93 -0.08 118.68 118.66 3kit s LEU 131 Ca 0.09 -0.08 -0.29 0.00 0.02 0.00 0.00 54.13 53.87 3kit s LEU 131 Cb -0.09 1.88 -0.12 0.00 0.02 0.00 0.00 46.19 47.88 3kit s LEU 131 CO -0.01 -0.76 1.42 -2.65 0.02 0.00 0.00 176.35 174.38 3kit n PRO 132 N 0.18 2.41 -0.28 1.29 -0.02 -1.26 -2.60 135.00 134.72 3kit n PRO 132 Ca -0.17 0.85 0.06 0.00 -2.02 0.00 0.00 63.50 62.21 3kit n PRO 132 Cb 0.62 -2.52 0.16 0.00 -0.02 0.00 0.00 33.50 31.74 3kit n PRO 132 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3kit h LEU 133 N 3.16 -0.51 -1.55 2.45 3.38 0.11 -0.72 115.31 121.63 3kit h LEU 133 Ca -0.48 0.23 0.36 0.00 0.09 0.00 0.00 57.88 58.08 3kit h LEU 133 Cb 1.26 0.42 -0.10 0.00 0.09 0.00 0.00 40.66 42.34 3kit h LEU 133 CO 0.67 -0.24 0.83 0.08 0.09 0.00 0.00 178.44 179.86 3kit h ARG 134 N 0.05 0.17 -0.71 1.13 0.11 -1.52 0.36 114.38 113.97 3kit h ARG 134 Ca 0.44 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 60.51 3kit h ARG 134 Cb 0.77 -0.04 0.00 0.00 1.11 0.00 0.00 29.97 31.81 3kit h ARG 134 CO -0.77 0.11 0.00 1.19 0.10 0.00 0.00 179.97 180.60 3kit n PHE 135 N -4.51 1.21 -4.51 4.08 0.99 -0.28 -4.83 117.46 109.61 3kit n PHE 135 Ca 0.31 -0.43 -0.33 0.00 -0.00 0.00 0.00 57.45 56.99 3kit n PHE 135 Cb 1.23 -0.32 -0.14 0.00 -1.00 0.00 0.00 39.48 39.26 3kit n PHE 135 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.76 177.18 3kit s ILE 136 N -2.01 3.39 -0.12 4.37 1.01 0.13 -4.98 121.20 122.99 3kit s ILE 136 Ca 0.33 -0.53 -0.38 0.00 0.00 0.00 0.00 60.65 60.07 3kit s ILE 136 Cb 0.25 -2.46 -0.16 0.00 0.01 0.00 0.00 42.46 40.09 3kit s ILE 136 CO 0.11 0.50 1.59 -2.65 0.00 0.00 0.00 174.94 174.49 3kit n PRO 137 N 3.73 1.24 -1.67 2.79 -0.02 -1.26 -4.87 135.00 134.93 3kit n PRO 137 Ca -0.18 0.45 -0.43 0.00 -2.02 0.00 0.00 63.50 61.32 3kit n PRO 137 Cb 0.52 -2.13 -0.01 0.00 -0.02 0.00 0.00 33.50 31.86 3kit n PRO 137 CO 0.00 0.00 0.00 1.55 1.98 0.00 0.00 175.50 179.03 3kit n VAL 138 N 3.80 1.77 0.00 -1.45 3.14 -1.26 -2.37 118.33 121.97 3kit n VAL 138 Ca 0.23 -0.44 0.00 0.00 -2.96 0.00 0.00 64.34 61.17 3kit n VAL 138 Cb 0.17 -1.46 0.00 0.00 -1.06 0.00 0.00 33.84 31.49 3kit n VAL 138 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3kit n GLY 139 N 1.14 2.99 3.39 7.55 0.00 -0.13 -4.99 105.19 115.13 3kit n GLY 139 Ca 0.07 -0.79 -0.37 0.00 0.00 0.00 0.00 46.02 44.93 3kit n GLY 139 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3kit n THR 140 N 0.00 1.44 -3.68 2.61 -2.24 -1.00 -4.08 114.28 107.32 3kit n THR 140 Ca 0.00 -0.46 -0.37 0.00 -2.27 0.00 0.00 64.05 60.95 3kit n THR 140 Cb 0.00 -0.50 -0.06 0.00 -2.10 0.00 0.00 70.33 67.66 3kit n THR 140 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 3kit s VAL 141 N -1.87 5.32 0.05 2.28 -7.23 -1.26 -2.64 120.40 115.06 3kit s VAL 141 Ca 0.63 0.46 -0.02 0.00 -1.81 0.00 0.00 61.98 61.23 3kit s VAL 141 Cb -0.41 -3.54 -0.03 0.00 0.56 0.00 0.00 36.38 32.96 3kit s VAL 141 CO 0.60 0.54 0.00 0.54 -0.31 0.00 0.00 175.10 176.47 3kit s VAL 142 N -0.55 0.20 0.03 1.32 0.11 0.07 -0.47 120.40 121.11 3kit s VAL 142 Ca 0.17 -1.66 0.00 0.00 -2.93 0.00 0.00 61.98 57.56 3kit s VAL 142 Cb -0.13 -1.43 -0.00 0.00 -1.53 0.00 0.00 36.38 33.29 3kit s VAL 142 CO 0.06 -0.92 0.01 0.00 -3.33 0.00 0.00 175.10 170.92 3kit n HIS 143 N 0.16 0.02 -4.12 1.54 1.44 -0.53 -0.52 115.22 113.22 3kit n HIS 143 Ca -0.15 -0.17 -0.40 0.00 -2.01 0.00 0.00 57.72 55.00 3kit n HIS 143 Cb 0.61 -0.00 -0.02 0.00 0.12 0.00 0.00 29.99 30.70 3kit n HIS 143 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3kit n ALA 144 N -2.88 -2.33 -2.27 1.59 0.00 -0.01 -1.86 120.51 112.76 3kit n ALA 144 Ca -0.01 -0.51 -0.34 0.00 0.00 0.00 0.00 53.44 52.58 3kit n ALA 144 Cb 0.04 -1.85 -0.06 0.00 0.00 0.00 0.00 19.45 17.58 3kit n ALA 144 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3kit s VAL 145 N -3.85 4.78 0.49 0.00 1.01 -0.73 -3.99 120.40 118.11 3kit s VAL 145 Ca 0.31 0.84 -0.04 0.00 0.00 0.00 0.00 61.98 63.09 3kit s VAL 145 Cb -0.18 -3.69 -0.02 0.00 0.00 0.00 0.00 36.38 32.50 3kit s VAL 145 CO 0.92 0.02 0.79 -1.61 0.00 0.00 0.00 175.10 175.22 3kit s GLU 146 N -2.51 3.35 -0.25 2.72 2.02 -0.86 -0.64 118.70 122.52 3kit s GLU 146 Ca 0.46 0.05 -0.10 0.00 0.02 0.00 0.00 54.97 55.40 3kit s GLU 146 Cb -0.13 -2.39 -0.12 0.00 0.10 0.00 0.00 34.13 31.60 3kit s GLU 146 CO 0.19 -0.30 -0.31 -0.11 0.02 0.00 0.00 175.26 174.76 3kit n LEU 147 N -2.29 2.01 -4.25 1.80 7.94 -1.26 -4.85 117.00 116.11 3kit n LEU 147 Ca 0.01 0.23 -0.30 0.00 -1.11 0.00 0.00 56.01 54.84 3kit n LEU 147 Cb 0.56 -0.76 -0.16 0.00 0.53 0.00 0.00 43.42 43.58 3kit n LEU 147 CO 0.52 0.60 -0.55 -1.61 -1.11 0.00 0.00 177.39 175.24 3kit s GLU 148 N -2.47 2.39 0.30 1.96 2.02 -1.26 -4.16 118.70 117.47 3kit s GLU 148 Ca -0.35 -0.86 -0.27 0.00 0.02 0.00 0.00 54.97 53.51 3kit s GLU 148 Cb 0.13 -2.05 -0.14 0.00 0.10 0.00 0.00 34.13 32.17 3kit s GLU 148 CO 0.47 0.37 0.87 -0.35 0.02 0.00 0.00 175.26 176.63 3kit n PRO 149 N 2.95 1.02 -1.71 0.39 -0.04 -1.26 -2.21 135.00 134.13 3kit n PRO 149 Ca -0.17 0.36 -0.19 0.00 -0.04 0.00 0.00 63.50 63.45 3kit n PRO 149 Cb 0.52 -1.66 -0.07 0.00 -0.04 0.00 0.00 33.50 32.25 3kit n PRO 149 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3kit n LYS 150 N 0.72 -1.37 -0.04 0.54 4.76 -1.26 -4.86 118.16 116.65 3kit n LYS 150 Ca 0.11 1.13 0.06 0.00 -2.87 0.00 0.00 58.31 56.74 3kit n LYS 150 Cb 0.32 -5.49 0.07 0.00 -1.84 0.00 0.00 35.03 28.09 3kit n LYS 150 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 3kit n LYS 151 N -2.52 1.12 0.00 1.97 5.02 -0.94 -5.10 118.16 117.71 3kit n LYS 151 Ca -0.20 -1.39 0.00 0.00 -2.02 0.00 0.00 58.31 54.70 3kit n LYS 151 Cb 0.64 -1.24 0.00 0.00 -0.02 0.00 0.00 35.03 34.41 3kit n LYS 151 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kit n GLY 152 N 0.63 0.86 3.76 0.72 0.00 -1.26 -4.96 105.19 104.94 3kit n GLY 152 Ca 0.08 -1.64 -0.41 0.00 0.00 0.00 0.00 46.02 44.06 3kit n GLY 152 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kit s ALA 153 N -2.57 3.48 0.00 4.61 0.00 0.17 -4.25 121.76 123.20 3kit s ALA 153 Ca 0.00 1.15 0.00 0.00 0.00 0.00 0.00 51.96 53.11 3kit s ALA 153 Cb 0.00 -3.44 0.00 0.00 0.00 0.00 0.00 23.12 19.68 3kit s ALA 153 CO 0.00 -0.51 0.00 1.63 0.00 0.00 0.00 175.76 176.88 3kit n LYS 154 N 1.15 0.84 -4.36 0.00 5.02 0.18 -4.92 118.16 116.07 3kit n LYS 154 Ca 0.01 0.00 -0.35 0.00 -2.02 0.00 0.00 58.31 55.95 3kit n LYS 154 Cb 0.43 -0.07 -0.09 0.00 -0.02 0.00 0.00 35.03 35.27 3kit n LYS 154 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3kit s LEU 155 N 0.00 3.59 -0.23 -0.35 1.02 -0.27 -4.84 118.68 117.61 3kit s LEU 155 Ca 0.00 0.14 -0.12 0.00 0.02 0.00 0.00 54.13 54.17 3kit s LEU 155 Cb 0.00 -1.84 0.02 0.00 0.02 0.00 0.00 46.19 44.39 3kit s LEU 155 CO 0.00 0.37 0.25 0.00 0.02 0.00 0.00 176.35 176.99 3kit n ALA 156 N 2.08 -2.49 -0.03 4.21 0.00 -1.26 -1.78 120.51 121.23 3kit n ALA 156 Ca -0.18 0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.58 3kit n ALA 156 Cb 0.54 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.54 3kit n ALA 156 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3kit n ARG 157 N 0.60 1.25 -2.43 0.00 1.74 -1.26 -0.83 116.66 115.74 3kit n ARG 157 Ca -0.01 -0.00 -0.38 0.00 -0.77 0.00 0.00 57.85 56.69 3kit n ARG 157 Cb 0.45 -0.11 -0.03 0.00 -1.02 0.00 0.00 32.46 31.74 3kit n ARG 157 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3kit s ALA 158 N -0.18 3.13 0.05 7.54 0.00 -1.26 -4.50 121.76 126.54 3kit s ALA 158 Ca 0.00 0.83 -0.30 0.00 0.00 0.00 0.00 51.96 52.49 3kit s ALA 158 Cb 0.00 -3.32 -0.16 0.00 0.00 0.00 0.00 23.12 19.64 3kit s ALA 158 CO 0.00 -0.35 0.76 0.00 0.00 0.00 0.00 175.76 176.16 3kit n ALA 159 N 0.09 -2.95 -0.78 0.00 0.00 -1.26 -0.35 120.51 115.26 3kit n ALA 159 Ca 0.04 0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.94 3kit n ALA 159 Cb 0.48 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.51 3kit n ALA 159 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kit n GLY 160 N 1.35 0.04 3.92 0.00 0.00 0.39 -4.79 105.19 106.10 3kit n GLY 160 Ca 0.16 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.91 3kit n GLY 160 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3kit s THR 161 N -1.11 2.54 -0.29 2.61 -4.23 0.53 -4.68 115.64 111.01 3kit s THR 161 Ca 0.00 -0.10 -0.29 0.00 -1.18 0.00 0.00 61.69 60.12 3kit s THR 161 Cb 0.00 -3.11 0.19 0.00 1.34 0.00 0.00 72.50 70.92 3kit s THR 161 CO 0.00 -0.13 1.37 -0.94 -0.54 0.00 0.00 174.62 174.38 3kit s SER 162 N -4.48 -0.03 0.22 3.99 1.04 -1.26 -1.59 113.70 111.59 3kit s SER 162 Ca 0.59 0.03 0.09 0.00 0.48 0.00 0.00 55.95 57.14 3kit s SER 162 Cb -0.11 0.02 -0.04 0.00 0.10 0.00 0.00 66.02 65.99 3kit s SER 162 CO 0.46 -0.03 -0.01 0.00 0.98 0.00 0.00 173.24 174.65 3kit s ALA 163 N -1.04 3.17 0.00 5.32 0.00 0.33 -4.03 121.76 125.50 3kit s ALA 163 Ca 0.09 -1.51 0.06 0.00 0.00 0.00 0.00 51.96 50.60 3kit s ALA 163 Cb -0.01 -0.87 -0.02 0.00 0.00 0.00 0.00 23.12 22.22 3kit s ALA 163 CO -0.08 0.37 -0.20 -1.14 0.00 0.00 0.00 175.76 174.71 3kit s GLN 164 N -3.29 1.52 -0.11 0.00 0.74 -1.13 -0.75 119.66 116.64 3kit s GLN 164 Ca 0.29 -0.76 -0.30 0.00 0.05 0.00 0.00 55.36 54.64 3kit s GLN 164 Cb -0.08 -1.52 -0.02 0.00 1.10 0.00 0.00 33.01 32.50 3kit s GLN 164 CO 0.19 0.41 1.16 0.42 -0.55 0.00 0.00 175.29 176.91 3kit s ILE 165 N -0.55 4.41 -0.17 -2.34 -1.09 -1.08 -1.69 121.20 118.69 3kit s ILE 165 Ca 0.07 1.72 -0.04 0.00 -2.23 0.00 0.00 60.65 60.17 3kit s ILE 165 Cb -0.08 -4.10 -0.23 0.00 -1.58 0.00 0.00 42.46 36.47 3kit s ILE 165 CO -0.00 -0.05 0.17 1.67 -1.23 0.00 0.00 174.94 175.50 3kit n GLN 166 N 5.58 0.72 -3.26 2.79 -0.06 0.16 -0.95 117.38 122.36 3kit n GLN 166 Ca 0.11 0.23 0.00 0.00 -2.00 0.00 0.00 57.00 55.34 3kit n GLN 166 Cb 0.46 -1.65 0.00 0.00 -4.06 0.00 0.00 30.24 24.99 3kit n GLN 166 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 3kit n GLY 167 N 2.07 -1.50 3.81 1.69 0.00 -1.23 -4.75 105.19 105.28 3kit n GLY 167 Ca -0.36 -1.05 -0.23 0.00 0.00 0.00 0.00 46.02 44.37 3kit n GLY 167 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kit s ARG 168 N -1.66 2.35 -0.31 1.61 1.81 -1.26 0.49 118.95 121.98 3kit s ARG 168 Ca 0.00 -1.73 -0.11 0.00 -1.72 0.00 0.00 55.73 52.17 3kit s ARG 168 Cb 0.00 -2.15 0.20 0.00 -0.45 0.00 0.00 34.95 32.56 3kit s ARG 168 CO 0.00 -0.18 1.14 -2.00 -0.68 0.00 0.00 175.30 173.58 3kit s GLU 169 N -4.02 0.06 2.29 3.54 2.12 0.10 -4.84 118.70 117.96 3kit s GLU 169 Ca 0.43 -0.05 0.00 0.00 0.36 0.00 0.00 54.97 55.72 3kit s GLU 169 Cb 0.01 0.00 0.00 0.00 0.26 0.00 0.00 34.13 34.40 3kit s GLU 169 CO 0.25 -0.09 0.00 0.41 -0.54 0.00 0.00 175.26 175.29 3kit n GLY 170 N 3.00 -0.01 0.00 -1.50 0.00 -1.26 -3.24 105.19 102.18 3kit n GLY 170 Ca 0.08 -1.28 0.14 0.00 0.00 0.00 0.00 46.02 44.96 3kit n GLY 170 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3kit n ASP 171 N 1.36 0.00 -4.83 1.61 8.00 -1.26 -4.78 116.55 116.66 3kit n ASP 171 Ca 0.00 -0.65 -0.33 0.00 0.71 0.00 0.00 54.79 54.52 3kit n ASP 171 Cb 0.00 -0.09 -0.06 0.00 -0.02 0.00 0.00 41.12 40.95 3kit n ASP 171 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3kit s TYR 172 N -2.18 3.39 0.08 1.24 2.02 -1.20 0.24 117.35 120.95 3kit s TYR 172 Ca 0.38 0.28 0.08 0.00 -0.37 0.00 0.00 57.07 57.44 3kit s TYR 172 Cb 0.19 -1.78 -0.04 0.00 -0.40 0.00 0.00 41.96 39.93 3kit s TYR 172 CO 0.36 0.59 -0.17 0.54 -1.57 0.00 0.00 175.55 175.30 3kit s VAL 173 N -1.22 2.87 -0.25 0.71 0.11 0.74 -0.72 120.40 122.64 3kit s VAL 173 Ca 0.23 -1.35 -0.11 0.00 -2.93 0.00 0.00 61.98 57.82 3kit s VAL 173 Cb -0.12 -2.28 -0.05 0.00 -1.53 0.00 0.00 36.38 32.40 3kit s VAL 173 CO 0.14 0.20 0.20 -0.63 -3.33 0.00 0.00 175.10 171.68 3kit s ILE 174 N -1.06 5.32 0.08 7.04 1.01 0.18 -0.57 121.20 133.20 3kit s ILE 174 Ca 0.17 0.25 0.07 0.00 0.00 0.00 0.00 60.65 61.13 3kit s ILE 174 Cb -0.11 -3.54 -0.04 0.00 0.01 0.00 0.00 42.46 38.79 3kit s ILE 174 CO 0.08 0.30 -0.12 -0.76 0.00 0.00 0.00 174.94 174.44 3kit s LEU 175 N 1.36 2.96 -0.46 2.97 1.43 -0.42 0.39 118.68 126.92 3kit s LEU 175 Ca 0.09 -0.38 -0.04 0.00 -1.03 0.00 0.00 54.13 52.77 3kit s LEU 175 Cb -0.15 -1.76 0.12 0.00 0.03 0.00 0.00 46.19 44.44 3kit s LEU 175 CO 0.07 0.20 0.27 -0.60 0.23 0.00 0.00 176.35 176.52 3kit s ARG 176 N -1.99 2.18 0.84 1.70 3.52 -0.68 -0.84 118.95 123.68 3kit s ARG 176 Ca 0.19 -1.93 -0.10 0.00 -0.13 0.00 0.00 55.73 53.76 3kit s ARG 176 Cb -0.11 -3.67 0.10 0.00 -1.56 0.00 0.00 34.95 29.71 3kit s ARG 176 CO 0.11 -1.11 1.11 -0.51 -0.81 0.00 0.00 175.30 174.09 3kit s LEU 177 N 0.98 2.85 0.36 -0.88 1.43 0.02 -2.82 118.68 120.62 3kit s LEU 177 Ca 0.09 1.92 0.17 0.00 -1.03 0.00 0.00 54.13 55.28 3kit s LEU 177 Cb -0.23 -4.46 1.15 0.00 0.03 0.00 0.00 46.19 42.68 3kit s LEU 177 CO -0.04 -2.52 1.66 -0.65 0.23 0.00 0.00 176.35 175.04 3kit h PRO 178 N -1.46 0.27 0.00 1.29 0.11 -1.89 0.97 132.00 131.28 3kit h PRO 178 Ca -0.44 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3kit h PRO 178 Cb 1.25 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3kit h PRO 178 CO 0.48 0.18 0.00 -1.13 -0.21 0.00 0.00 178.00 177.32 3kit n SER 179 N -5.01 0.52 0.00 -2.05 3.41 -1.26 -4.84 113.62 104.39 3kit n SER 179 Ca 0.32 0.65 0.00 0.00 -0.26 0.00 0.00 58.87 59.58 3kit n SER 179 Cb 1.05 -0.75 0.00 0.00 -0.26 0.00 0.00 64.21 64.25 3kit n SER 179 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kit n GLY 180 N -0.27 0.54 3.78 5.00 0.00 0.34 -5.06 105.19 109.51 3kit n GLY 180 Ca 0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 3kit n GLY 180 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3kit s GLU 181 N -0.91 4.25 -0.43 1.61 2.12 -1.24 -4.76 118.70 119.34 3kit s GLU 181 Ca 0.00 1.57 -0.12 0.00 0.36 0.00 0.00 54.97 56.78 3kit s GLU 181 Cb 0.00 -2.67 0.07 0.00 0.26 0.00 0.00 34.13 31.78 3kit s GLU 181 CO 0.00 -0.08 0.31 -0.51 -0.54 0.00 0.00 175.26 174.44 3kit s LEU 182 N -2.40 5.28 -0.02 2.70 1.43 -1.26 -0.80 118.68 123.62 3kit s LEU 182 Ca 0.55 -1.32 0.08 0.00 -1.03 0.00 0.00 54.13 52.40 3kit s LEU 182 Cb -0.24 -2.08 -0.02 0.00 0.03 0.00 0.00 46.19 43.88 3kit s LEU 182 CO 0.30 -0.55 -0.24 -0.60 0.23 0.00 0.00 176.35 175.49 3kit s ARG 183 N 1.55 1.96 -0.17 1.70 3.52 -0.02 -1.62 118.95 125.86 3kit s ARG 183 Ca 0.03 -0.88 -0.27 0.00 -0.13 0.00 0.00 55.73 54.48 3kit s ARG 183 Cb -0.23 -1.90 -0.01 0.00 -1.56 0.00 0.00 34.95 31.25 3kit s ARG 183 CO 0.05 0.52 0.92 0.15 -0.81 0.00 0.00 175.30 176.14 3kit s LYS 184 N -0.60 4.31 0.05 5.12 1.02 0.23 -1.30 119.74 128.58 3kit s LYS 184 Ca 0.09 1.19 0.09 0.00 0.02 0.00 0.00 55.97 57.36 3kit s LYS 184 Cb -0.09 -3.59 -0.03 0.00 -0.52 0.00 0.00 37.83 33.60 3kit s LYS 184 CO -0.01 -0.41 -0.26 0.08 -0.92 0.00 0.00 175.35 173.83 3kit s VAL 185 N 2.42 2.21 0.53 3.17 1.01 0.26 -4.91 120.40 125.08 3kit s VAL 185 Ca 0.42 -1.42 -0.22 0.00 0.00 0.00 0.00 61.98 60.76 3kit s VAL 185 Cb -0.17 -1.88 -0.05 0.00 0.00 0.00 0.00 36.38 34.28 3kit s VAL 185 CO 0.12 0.33 1.38 -2.28 0.00 0.00 0.00 175.10 174.65 3kit s HIS 186 N -0.85 2.29 0.37 5.22 2.46 -1.26 -0.19 115.29 123.35 3kit s HIS 186 Ca 0.12 1.34 0.09 0.00 0.47 0.00 0.00 55.06 57.09 3kit s HIS 186 Cb -0.10 -3.85 0.74 0.00 -0.13 0.00 0.00 32.58 29.24 3kit s HIS 186 CO 0.03 -2.98 1.88 0.78 -2.47 0.00 0.00 174.74 171.98 3kit h GLY 187 N 1.62 0.23 2.00 1.59 0.00 -0.53 -2.62 103.07 105.36 3kit h GLY 187 Ca -0.51 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 46.67 3kit h GLY 187 CO 0.58 0.14 0.00 0.83 0.00 0.00 0.00 176.54 178.09 3kit h GLU 188 N 0.20 0.00 -6.44 4.80 4.39 -1.91 -1.13 114.58 114.49 3kit h GLU 188 Ca 0.04 0.00 -0.54 0.00 0.34 0.00 0.00 59.36 59.20 3kit h GLU 188 Cb 0.45 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.12 3kit h GLU 188 CO 0.03 0.00 0.97 0.00 -1.16 0.00 0.00 179.01 178.85 3kit s TYR 190 N 2.60 2.01 -0.29 0.00 1.51 -1.26 -0.36 117.35 121.56 3kit s TYR 190 Ca 0.72 0.93 -0.22 0.00 -1.01 0.00 0.00 57.07 57.49 3kit s TYR 190 Cb -0.38 -3.29 0.16 0.00 -0.11 0.00 0.00 41.96 38.33 3kit s TYR 190 CO 0.31 -2.98 1.17 0.00 -1.11 0.00 0.00 175.55 172.94 3kit s ALA 191 N -2.99 -2.20 -0.24 3.71 0.00 -1.07 -2.03 121.76 116.94 3kit s ALA 191 Ca 0.66 1.90 -0.10 0.00 0.00 0.00 0.00 51.96 54.42 3kit s ALA 191 Cb -0.18 -1.67 -0.05 0.00 0.00 0.00 0.00 23.12 21.22 3kit s ALA 191 CO 0.57 -0.23 0.15 -0.08 0.00 0.00 0.00 175.76 176.18 3kit s THR 192 N 0.51 5.31 0.14 0.00 -1.32 -0.78 -2.19 115.64 117.31 3kit s THR 192 Ca 0.00 0.16 -0.35 0.00 -1.21 0.00 0.00 61.69 60.30 3kit s THR 192 Cb -0.04 -3.47 -0.16 0.00 -1.51 0.00 0.00 72.50 67.32 3kit s THR 192 CO -0.11 0.35 1.33 0.55 -2.21 0.00 0.00 174.62 174.53 3kit n VAL 193 N 4.24 0.36 0.00 5.08 3.14 0.32 -1.51 118.33 129.96 3kit n VAL 193 Ca -0.15 -0.09 0.00 0.00 -2.96 0.00 0.00 64.34 61.14 3kit n VAL 193 Cb 0.52 -0.99 0.00 0.00 -1.06 0.00 0.00 33.84 32.31 3kit n VAL 193 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3kit n GLY 194 N 2.47 1.11 3.93 7.55 0.00 0.38 -1.67 105.19 118.96 3kit n GLY 194 Ca 0.16 -2.13 -0.21 0.00 0.00 0.00 0.00 46.02 43.85 3kit n GLY 194 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kit s ALA 195 N -1.45 3.91 0.00 4.61 0.00 -1.26 -1.45 121.76 126.12 3kit s ALA 195 Ca 0.00 -1.37 0.00 0.00 0.00 0.00 0.00 51.96 50.59 3kit s ALA 195 Cb 0.00 -1.57 0.00 0.00 0.00 0.00 0.00 23.12 21.55 3kit s ALA 195 CO 0.00 0.16 0.89 0.28 0.00 0.00 0.00 175.76 177.09 3kit n VAL 196 N -1.41 0.00 0.00 0.00 0.31 -0.62 0.37 118.33 116.99 3kit n VAL 196 Ca -0.06 1.39 0.00 0.00 -0.01 0.00 0.00 64.34 65.66 3kit n VAL 196 Cb 0.58 -2.19 0.00 0.00 -0.91 0.00 0.00 33.84 31.32 3kit n VAL 196 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3kit n GLY 197 N -0.94 3.06 3.63 2.92 0.00 -1.26 -0.46 105.19 112.15 3kit n GLY 197 Ca 0.00 -1.97 -0.20 0.00 0.00 0.00 0.00 46.02 43.85 3kit n GLY 197 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3kit n ASN 198 N 0.00 -1.39 0.00 1.61 4.05 -1.26 -0.46 115.26 117.81 3kit n ASN 198 Ca 0.00 -0.77 0.13 0.00 0.45 0.00 0.00 54.58 54.39 3kit n ASN 198 Cb 0.00 -4.31 0.74 0.00 1.23 0.00 0.00 39.78 37.44 3kit n ASN 198 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 3kit n ALA 199 N -4.23 2.43 0.74 5.20 0.00 -1.26 -2.33 120.51 121.05 3kit n ALA 199 Ca -0.30 -0.15 0.12 0.00 0.00 0.00 0.00 53.44 53.12 3kit n ALA 199 Cb 0.68 -1.43 0.49 0.00 0.00 0.00 0.00 19.45 19.18 3kit n ALA 199 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3kit n ASP 200 N -1.11 0.35 -0.32 0.00 8.00 -1.26 -4.01 116.55 118.20 3kit n ASP 200 Ca 0.17 0.55 0.14 0.00 0.71 0.00 0.00 54.79 56.36 3kit n ASP 200 Cb 0.14 -0.64 0.29 0.00 -0.02 0.00 0.00 41.12 40.89 3kit n ASP 200 CO 0.00 0.00 0.00 -0.74 -0.39 0.00 0.00 177.20 176.07 3kit h HIS 201 N 0.00 0.06 0.00 1.24 2.76 -1.83 0.94 115.15 118.33 3kit h HIS 201 Ca 0.00 0.06 0.00 0.00 -2.20 0.00 0.00 60.37 58.23 3kit h HIS 201 Cb 0.53 0.13 0.00 0.00 1.55 0.00 0.00 27.41 29.62 3kit h HIS 201 CO 0.00 -0.38 0.00 1.57 -1.30 0.00 0.00 177.93 177.82 3kit h LYS 202 N 0.05 0.00 -0.19 5.26 2.10 -1.86 -2.79 116.57 119.13 3kit h LYS 202 Ca 0.59 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.24 3kit h LYS 202 Cb 1.22 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.55 3kit h LYS 202 CO -0.85 0.00 0.00 0.09 -2.00 0.00 0.00 179.45 176.69 3kit n ASN 203 N -2.79 1.54 -4.80 7.07 3.02 0.33 -4.89 115.26 114.74 3kit n ASN 203 Ca -0.01 -1.76 -0.38 0.00 -0.03 0.00 0.00 54.58 52.40 3kit n ASN 203 Cb 0.15 -0.13 -0.06 0.00 -0.61 0.00 0.00 39.78 39.13 3kit n ASN 203 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 3kit s ILE 204 N -1.75 4.55 -0.36 2.41 -4.36 -1.06 -4.97 121.20 115.67 3kit s ILE 204 Ca 0.29 1.40 -0.04 0.00 -0.26 0.00 0.00 60.65 62.03 3kit s ILE 204 Cb 0.15 -3.96 0.07 0.00 1.25 0.00 0.00 42.46 39.97 3kit s ILE 204 CO 0.23 0.40 0.12 -0.69 0.24 0.00 0.00 174.94 175.24 3kit s VAL 205 N -1.29 3.46 0.24 8.37 1.01 -1.25 -4.98 120.40 125.96 3kit s VAL 205 Ca 0.37 -1.51 -0.15 0.00 0.00 0.00 0.00 61.98 60.69 3kit s VAL 205 Cb -0.20 -3.10 0.29 0.00 0.00 0.00 0.00 36.38 33.37 3kit s VAL 205 CO 0.22 -0.35 1.56 -0.07 0.00 0.00 0.00 175.10 176.47 3kit h LEU 206 N 8.13 -1.25 0.00 3.92 3.38 -1.89 -1.91 115.31 125.68 3kit h LEU 206 Ca -0.20 0.30 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3kit h LEU 206 Cb 1.07 0.70 0.00 0.00 0.09 0.00 0.00 40.66 42.51 3kit h LEU 206 CO 0.63 -0.30 0.00 0.61 0.09 0.00 0.00 178.44 179.47 3kit n GLY 207 N -1.51 2.00 2.17 0.83 0.00 -1.26 -4.59 105.19 102.83 3kit n GLY 207 Ca 0.11 -0.68 -0.15 0.00 0.00 0.00 0.00 46.02 45.31 3kit n GLY 207 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3kit n LYS 208 N 0.00 1.03 0.03 1.61 2.85 -1.26 -4.72 118.16 117.70 3kit n LYS 208 Ca 0.00 -1.96 -0.16 0.00 -1.05 0.00 0.00 58.31 55.14 3kit n LYS 208 Cb 0.00 0.21 -0.06 0.00 -0.65 0.00 0.00 35.03 34.53 3kit n LYS 208 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3kit h ALA 209 N 0.71 0.31 -3.00 0.58 0.00 -1.97 -3.40 119.26 112.49 3kit h ALA 209 Ca -0.20 -0.66 0.00 0.00 0.00 0.00 0.00 54.91 54.05 3kit h ALA 209 Cb 0.72 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.51 3kit h ALA 209 CO 0.31 0.73 0.00 0.41 0.00 0.00 0.00 179.25 180.71 3kit n GLY 210 N 0.87 -1.86 5.00 0.00 0.00 -1.26 -3.44 105.19 104.49 3kit n GLY 210 Ca -0.08 -1.49 0.00 0.00 0.00 0.00 0.00 46.02 44.45 3kit n GLY 210 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3kit n ARG 211 N -0.63 0.00 0.13 1.61 3.00 -1.26 -3.73 116.66 115.78 3kit n ARG 211 Ca 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 57.85 57.86 3kit n ARG 211 Cb 0.00 0.00 0.33 0.00 0.00 0.00 0.00 32.46 32.79 3kit n ARG 211 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 3kit h SER 212 N 0.00 0.17 0.05 6.15 0.87 -1.76 -0.77 113.55 118.25 3kit h SER 212 Ca 0.00 -0.05 -0.21 0.00 -1.23 0.00 0.00 61.79 60.30 3kit h SER 212 Cb 0.00 -0.04 0.02 0.00 -0.44 0.00 0.00 62.40 61.94 3kit h SER 212 CO 0.00 0.45 -0.87 0.03 -0.53 0.00 0.00 176.83 175.92 3kit h ARG 213 N 0.15 0.49 -0.79 2.24 2.47 -1.64 -1.09 114.38 116.21 3kit h ARG 213 Ca 0.02 -0.60 0.09 0.00 -1.26 0.00 0.00 59.98 58.23 3kit h ARG 213 Cb 0.59 0.19 -0.05 0.00 -1.65 0.00 0.00 29.97 29.04 3kit h ARG 213 CO 0.04 1.23 0.52 -1.49 0.56 0.00 0.00 179.97 180.83 3kit h TRP 214 N 0.03 0.80 0.00 3.04 6.55 -1.72 0.38 115.95 125.02 3kit h TRP 214 Ca -0.12 0.02 0.00 0.00 0.95 0.00 0.00 58.89 59.74 3kit h TRP 214 Cb 1.58 -0.26 0.00 0.00 -0.86 0.00 0.00 29.16 29.62 3kit h TRP 214 CO 0.14 0.39 0.00 1.28 -1.05 0.00 0.00 178.44 179.20 3kit n LEU 215 N -4.50 0.39 -1.06 -4.49 4.77 -0.34 -2.52 117.00 109.24 3kit n LEU 215 Ca 0.13 -0.19 -0.12 0.00 -0.03 0.00 0.00 56.01 55.80 3kit n LEU 215 Cb 0.30 -0.19 -0.03 0.00 -2.33 0.00 0.00 43.42 41.16 3kit n LEU 215 CO 0.32 0.10 -0.13 0.61 -1.33 0.00 0.00 177.39 176.97 3kit n GLY 216 N 0.29 0.72 3.28 -0.72 0.00 0.13 -4.96 105.19 103.93 3kit n GLY 216 Ca 0.00 -0.46 -0.39 0.00 0.00 0.00 0.00 46.02 45.17 3kit n GLY 216 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kit s ARG 217 N -3.61 2.61 0.83 1.61 0.52 -0.42 -2.45 118.95 118.03 3kit s ARG 217 Ca 0.00 -1.34 -0.11 0.00 -0.52 0.00 0.00 55.73 53.75 3kit s ARG 217 Cb 0.00 -3.67 0.09 0.00 0.52 0.00 0.00 34.95 31.89 3kit s ARG 217 CO 0.00 -0.84 1.09 1.03 0.02 0.00 0.00 175.30 176.60 3kit s ARG 218 N 1.42 1.82 0.51 3.54 1.81 0.22 -4.01 118.95 124.27 3kit s ARG 218 Ca 0.02 0.93 -0.23 0.00 -1.72 0.00 0.00 55.73 54.72 3kit s ARG 218 Cb -0.21 -1.87 -0.06 0.00 -0.45 0.00 0.00 34.95 32.36 3kit s ARG 218 CO 0.03 -1.88 1.37 -1.25 -0.68 0.00 0.00 175.30 172.89 3kit s PRO 219 N -4.96 3.34 -0.28 3.54 0.04 -1.26 -4.84 135.00 130.58 3kit s PRO 219 Ca 0.62 2.28 -0.05 0.00 0.04 0.00 0.00 61.00 63.89 3kit s PRO 219 Cb -0.17 -2.39 0.01 0.00 0.04 0.00 0.00 34.50 31.99 3kit s PRO 219 CO 0.56 -1.05 0.04 -1.58 0.04 0.00 0.00 177.00 175.01 3kit s HIS 220 N -1.28 3.12 -0.18 0.56 2.46 -1.26 -4.73 115.29 113.98 3kit s HIS 220 Ca 0.68 -1.11 -0.15 0.00 0.47 0.00 0.00 55.06 54.95 3kit s HIS 220 Cb -0.41 -2.20 -0.04 0.00 -0.13 0.00 0.00 32.58 29.80 3kit s HIS 220 CO 0.50 -0.61 0.35 0.54 -2.47 0.00 0.00 174.74 173.05 3kit s VAL 221 N 1.46 5.25 0.51 0.89 0.11 -1.26 -5.05 120.40 122.31 3kit s VAL 221 Ca 0.02 0.63 -0.23 0.00 -2.93 0.00 0.00 61.98 59.47 3kit s VAL 221 Cb -0.17 -3.68 -0.06 0.00 -1.53 0.00 0.00 36.38 30.94 3kit s VAL 221 CO 0.01 0.32 1.38 0.54 -3.33 0.00 0.00 175.10 174.02 3kit n ARG 222 N 4.06 1.90 0.11 1.54 1.74 -1.26 -4.97 116.66 119.78 3kit n ARG 222 Ca -0.10 0.69 -0.06 0.00 -0.77 0.00 0.00 57.85 57.60 3kit n ARG 222 Cb 0.51 -2.59 -0.03 0.00 -1.02 0.00 0.00 32.46 29.33 3kit n ARG 222 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 3kit h GLY 223 N 1.75 -0.85 -6.69 -0.13 0.00 -1.96 -3.32 103.07 91.87 3kit h GLY 223 Ca -0.51 0.38 -0.58 0.00 0.00 0.00 0.00 47.33 46.62 3kit h GLY 223 CO 0.58 -0.29 1.29 0.00 0.00 0.00 0.00 176.54 178.12 3kit s ALA 224 N -4.12 2.95 0.00 3.60 0.00 -1.26 0.03 121.76 122.95 3kit s ALA 224 Ca -0.06 0.45 0.00 0.00 0.00 0.00 0.00 51.96 52.35 3kit s ALA 224 Cb 0.01 -3.99 0.00 0.00 0.00 0.00 0.00 23.12 19.15 3kit s ALA 224 CO 0.20 -2.49 0.00 0.00 0.00 0.00 0.00 175.76 173.48 3kit n ALA 225 N 10.09 0.00 -2.69 0.00 0.00 -1.25 -4.96 120.51 121.71 3kit n ALA 225 Ca 0.23 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.49 3kit n ALA 225 Cb 0.46 0.00 0.08 0.00 0.00 0.00 0.00 19.45 19.99 3kit n ALA 225 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 3kit n MET 226 N 0.00 0.27 -4.09 0.00 2.81 0.10 -4.96 117.12 111.26 3kit n MET 226 Ca 0.00 -2.17 -0.23 0.00 -1.81 0.00 0.00 57.70 53.49 3kit n MET 226 Cb 0.00 -0.40 -0.06 0.00 -0.71 0.00 0.00 33.22 32.05 3kit n MET 226 CO 0.00 0.00 0.00 -0.80 1.51 0.00 0.00 175.97 176.68 3kit s ASN 227 N -3.98 4.78 0.33 7.83 -0.87 -1.26 -1.26 114.94 120.51 3kit s ASN 227 Ca 0.49 -0.70 0.15 0.00 -1.57 0.00 0.00 52.86 51.23 3kit s ASN 227 Cb -0.03 -0.81 1.11 0.00 -0.02 0.00 0.00 41.25 41.50 3kit s ASN 227 CO 0.32 -0.26 1.46 -2.65 -2.57 0.00 0.00 177.10 173.40 3kit n PRO 228 N -1.15 -0.06 -0.23 -0.60 -0.02 -1.26 0.85 135.00 132.53 3kit n PRO 228 Ca -0.04 1.30 -0.03 0.00 -2.02 0.00 0.00 63.50 62.71 3kit n PRO 228 Cb 0.61 -2.27 0.15 0.00 -0.02 0.00 0.00 33.50 31.96 3kit n PRO 228 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3kit h VAL 229 N 0.00 1.24 0.04 -1.45 2.07 -1.94 -3.25 116.25 112.95 3kit h VAL 229 Ca 0.73 -0.71 -0.23 0.00 0.82 0.00 0.00 66.70 67.31 3kit h VAL 229 Cb 1.85 0.34 -0.00 0.00 -1.52 0.00 0.00 31.29 31.96 3kit h VAL 229 CO -0.75 0.29 -1.01 0.44 0.02 0.00 0.00 177.57 176.56 3kit h ASP 230 N 1.03 0.42 -5.01 0.57 3.32 0.07 -3.48 116.42 113.35 3kit h ASP 230 Ca 0.25 -0.37 -0.05 0.00 0.02 0.00 0.00 57.03 56.88 3kit h ASP 230 Cb 0.15 -0.13 -0.16 0.00 0.22 0.00 0.00 39.33 39.41 3kit h ASP 230 CO -0.03 1.20 0.12 -2.28 -1.72 0.00 0.00 179.24 176.53 3kit s HIS 231 N -3.07 -0.52 0.35 4.55 2.46 -1.00 -4.90 115.29 113.16 3kit s HIS 231 Ca -0.04 0.62 0.09 0.00 0.47 0.00 0.00 55.06 56.19 3kit s HIS 231 Cb 0.09 0.41 0.65 0.00 -0.13 0.00 0.00 32.58 33.60 3kit s HIS 231 CO 0.86 -0.68 1.82 -1.00 -2.47 0.00 0.00 174.74 173.27 3kit h PRO 232 N 2.66 0.22 0.00 2.88 0.13 -1.81 -2.66 132.00 133.41 3kit h PRO 232 Ca -0.31 -0.07 -0.04 0.00 -0.87 0.00 0.00 66.00 64.71 3kit h PRO 232 Cb 1.22 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 3kit h PRO 232 CO 0.40 0.47 -0.19 0.45 -0.23 0.00 0.00 178.00 178.90 3kit h HIS 233 N 0.20 0.00 -2.94 1.56 3.86 -1.90 -3.47 115.15 112.47 3kit h HIS 233 Ca 0.03 0.00 -0.43 0.00 -1.16 0.00 0.00 60.37 58.81 3kit h HIS 233 Cb 0.57 0.00 0.22 0.00 1.06 0.00 0.00 27.41 29.26 3kit h HIS 233 CO 0.01 0.19 -0.23 0.41 0.86 0.00 0.00 177.93 179.17 3kit n GLY 234 N 0.43 -2.36 4.54 2.45 0.00 -1.00 -4.22 105.19 105.03 3kit n GLY 234 Ca 0.01 -1.18 0.00 0.00 0.00 0.00 0.00 46.02 44.85 3kit n GLY 234 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kit n GLY 235 N 1.32 -1.85 0.41 -0.02 0.00 -0.39 -4.07 105.19 100.59 3kit n GLY 235 Ca 0.02 -1.62 0.00 0.00 0.00 0.00 0.00 46.02 44.43 3kit n GLY 235 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kit n GLY 236 N 0.00 -3.67 3.64 -0.02 0.00 -1.26 -4.88 105.19 99.00 3kit n GLY 236 Ca 0.00 -0.83 -0.43 0.00 0.00 0.00 0.00 46.02 44.76 3kit n GLY 236 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kit s GLU 237 N -3.39 3.97 -0.44 1.61 0.41 -1.26 -4.40 118.70 115.21 3kit s GLU 237 Ca 0.00 1.66 -0.12 0.00 -0.41 0.00 0.00 54.97 56.09 3kit s GLU 237 Cb 0.00 -3.94 0.02 0.00 -1.78 0.00 0.00 34.13 28.43 3kit s GLU 237 CO 0.00 -1.07 0.56 0.41 -0.49 0.00 0.00 175.26 174.68 3kit n GLY 238 N 4.29 -1.25 1.81 -1.39 0.00 -1.26 -4.86 105.19 102.52 3kit n GLY 238 Ca 0.17 1.04 0.00 0.00 0.00 0.00 0.00 46.02 47.23 3kit n GLY 238 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3kit n ARG 239 N -0.53 -4.42 -3.83 1.61 3.00 -1.26 -5.07 116.66 106.16 3kit n ARG 239 Ca 0.09 3.22 -0.06 0.00 -0.00 0.00 0.00 57.85 61.10 3kit n ARG 239 Cb 0.43 -3.65 -0.01 0.00 0.00 0.00 0.00 32.46 29.24 3kit n ARG 239 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3kit s ALA 240 N -2.26 -1.25 -1.05 5.13 0.00 -1.26 -5.08 121.76 116.00 3kit s ALA 240 Ca 0.00 -0.30 -0.05 0.00 0.00 0.00 0.00 51.96 51.61 3kit s ALA 240 Cb 0.00 0.77 0.29 0.00 0.00 0.00 0.00 23.12 24.17 3kit s ALA 240 CO 0.00 -1.03 1.24 -0.35 0.00 0.00 0.00 175.76 175.62 3kit n PRO 241 N -0.49 3.85 0.00 0.00 -0.04 -1.26 -4.97 135.00 132.09 3kit n PRO 241 Ca -0.05 -4.53 0.00 0.00 -0.04 0.00 0.00 63.50 58.88 3kit n PRO 241 Cb 0.60 -2.50 0.00 0.00 -0.04 0.00 0.00 33.50 31.56 3kit n PRO 241 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3kit n ARG 242 N 1.84 0.00 0.00 0.54 3.00 -1.26 -4.11 116.66 116.66 3kit n ARG 242 Ca 0.25 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 58.09 3kit n ARG 242 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.82 3kit n ARG 242 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3kit n GLY 243 N 0.00 -0.48 0.58 -0.13 0.00 -1.26 -4.90 105.19 99.00 3kit n GLY 243 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3kit n GLY 243 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3kit n ARG 244 N 0.00 -1.62 -4.98 1.61 0.63 -1.26 -5.07 116.66 105.97 3kit n ARG 244 Ca 0.00 1.17 -0.27 0.00 -0.92 0.00 0.00 57.85 57.84 3kit n ARG 244 Cb 0.00 -1.29 -0.16 0.00 0.45 0.00 0.00 32.46 31.46 3kit n ARG 244 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 3kit s PRO 245 N -3.48 1.63 -0.09 -0.14 0.04 -1.26 -5.02 135.00 126.69 3kit s PRO 245 Ca 0.00 -0.71 -0.08 0.00 0.04 0.00 0.00 61.00 60.24 3kit s PRO 245 Cb 0.00 -1.57 -0.04 0.00 0.04 0.00 0.00 34.50 32.93 3kit s PRO 245 CO 0.00 0.43 0.34 -2.30 0.04 0.00 0.00 177.00 175.50 3kit n PRO 246 N 2.60 0.00 -4.42 0.56 -0.02 -1.26 -4.81 135.00 127.66 3kit n PRO 246 Ca -0.15 0.00 -0.20 0.00 -2.02 0.00 0.00 63.50 61.12 3kit n PRO 246 Cb 0.53 -0.27 -0.10 0.00 -0.02 0.00 0.00 33.50 33.63 3kit n PRO 246 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kit s ALA 247 N 0.80 2.22 0.46 3.55 0.00 -1.26 -0.89 121.76 126.64 3kit s ALA 247 Ca 0.20 -1.96 0.08 0.00 0.00 0.00 0.00 51.96 50.28 3kit s ALA 247 Cb -0.27 0.77 0.03 0.00 0.00 0.00 0.00 23.12 23.65 3kit s ALA 247 CO 0.14 -0.35 0.63 -1.54 0.00 0.00 0.00 175.76 174.63 3kit s SER 248 N -3.45 5.50 0.51 0.00 1.04 -0.27 -4.73 113.70 112.31 3kit s SER 248 Ca 0.36 -0.54 0.34 0.00 0.48 0.00 0.00 55.95 56.60 3kit s SER 248 Cb 0.08 -0.41 1.81 0.00 0.10 0.00 0.00 66.02 67.61 3kit s SER 248 CO 0.15 -0.91 2.05 1.55 0.98 0.00 0.00 173.24 177.06 3kit h PRO 249 N 0.52 0.00 -0.01 4.02 0.13 -1.90 -1.94 132.00 132.83 3kit h PRO 249 Ca -0.37 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 3kit h PRO 249 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 3kit h PRO 249 CO 0.44 0.00 -0.41 0.91 -0.23 0.00 0.00 178.00 178.71 3kit n TRP 250 N -2.74 0.00 0.00 1.56 8.01 -1.26 -4.61 117.44 118.40 3kit n TRP 250 Ca -0.02 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.17 3kit n TRP 250 Cb 0.09 -0.14 0.00 0.00 -2.01 0.00 0.00 31.31 29.25 3kit n TRP 250 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3kit n GLY 251 N 1.41 2.35 3.82 6.99 0.00 -0.73 -5.10 105.19 113.94 3kit n GLY 251 Ca 0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 3kit n GLY 251 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 3kit s TRP 252 N -2.23 3.26 0.45 1.61 1.48 -1.26 -4.71 118.94 117.54 3kit s TRP 252 Ca 0.00 1.60 -0.24 0.00 -1.06 0.00 0.00 56.10 56.40 3kit s TRP 252 Cb 0.00 -2.89 -0.07 0.00 -1.16 0.00 0.00 33.47 29.35 3kit s TRP 252 CO 0.00 -0.23 1.25 -0.65 -4.06 0.00 0.00 176.95 173.26 3kit s GLN 253 N -3.19 3.74 0.00 3.25 -0.21 -1.26 -1.11 119.66 120.87 3kit s GLN 253 Ca 0.63 2.01 0.04 0.00 0.02 0.00 0.00 55.36 58.05 3kit s GLN 253 Cb -0.10 -2.53 0.03 0.00 1.00 0.00 0.00 33.01 31.41 3kit s GLN 253 CO 0.14 -0.64 0.62 -2.37 -2.12 0.00 0.00 175.29 170.92 3kit n THR 254 N -0.33 0.00 -3.73 -0.19 5.66 -0.07 -4.63 114.28 111.00 3kit n THR 254 Ca 0.06 -0.50 -0.36 0.00 -3.05 0.00 0.00 64.05 60.21 3kit n THR 254 Cb 0.46 1.08 -0.09 0.00 -1.55 0.00 0.00 70.33 70.22 3kit n THR 254 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 3kit s LYS 255 N -0.31 2.64 0.00 1.09 -0.14 -1.26 -4.82 119.74 116.94 3kit s LYS 255 Ca 0.04 -2.70 0.00 0.00 -1.36 0.00 0.00 55.97 51.96 3kit s LYS 255 Cb 0.03 -3.73 0.00 0.00 -1.68 0.00 0.00 37.83 32.45 3kit s LYS 255 CO 0.05 -1.19 0.00 0.41 -0.76 0.00 0.00 175.35 173.86 3kit n GLY 256 N 3.21 2.95 3.52 -3.33 0.00 -1.26 -5.06 105.19 105.22 3kit n GLY 256 Ca 0.10 -0.84 -0.52 0.00 0.00 0.00 0.00 46.02 44.77 3kit n GLY 256 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3kit n LEU 257 N 0.00 2.31 -4.77 0.99 0.00 -1.26 -4.91 117.00 109.36 3kit n LEU 257 Ca 0.00 0.62 -0.39 0.00 0.00 0.00 0.00 56.01 56.23 3kit n LEU 257 Cb 0.00 -1.24 -0.01 0.00 0.00 0.00 0.00 43.42 42.17 3kit n LEU 257 CO 0.00 -0.59 0.93 -0.54 0.00 0.00 0.00 177.39 177.19 3kit s LYS 258 N 5.44 4.00 -0.01 1.96 1.02 -1.26 -4.98 119.74 125.91 3kit s LYS 258 Ca 1.06 2.09 0.04 0.00 0.02 0.00 0.00 55.97 59.17 3kit s LYS 258 Cb -0.89 -2.75 -0.06 0.00 -0.52 0.00 0.00 37.83 33.60 3kit s LYS 258 CO 0.53 -0.44 0.07 -2.37 -0.92 0.00 0.00 175.35 172.22 3kit n THR 259 N 0.15 0.07 -1.79 2.17 5.66 -1.26 -5.06 114.28 114.22 3kit n THR 259 Ca 0.04 -0.11 -0.38 0.00 -3.05 0.00 0.00 64.05 60.54 3kit n THR 259 Cb 0.44 0.05 0.04 0.00 -1.55 0.00 0.00 70.33 69.32 3kit n THR 259 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3kit s ARG 260 N -2.24 3.08 -0.03 1.09 1.70 -1.26 -4.86 118.95 116.43 3kit s ARG 260 Ca -0.02 2.20 -0.34 0.00 -0.47 0.00 0.00 55.73 57.10 3kit s ARG 260 Cb 0.02 -2.21 -0.12 0.00 -0.57 0.00 0.00 34.95 32.07 3kit s ARG 260 CO 0.17 -1.22 1.81 1.17 -1.08 0.00 0.00 175.30 176.14 3kit n LYS 261 N -1.12 2.15 0.25 3.89 4.81 -1.26 -4.91 118.16 121.97 3kit n LYS 261 Ca 0.11 0.79 -0.12 0.00 -0.87 0.00 0.00 58.31 58.21 3kit n LYS 261 Cb 0.45 -2.61 -0.06 0.00 0.02 0.00 0.00 35.03 32.83 3kit n LYS 261 CO 0.00 0.00 0.00 -0.09 1.17 0.00 0.00 177.40 178.48 3kit h ARG 262 N 8.40 -0.72 -0.13 1.64 2.43 -2.00 -3.08 114.38 120.92 3kit h ARG 262 Ca -0.48 0.05 0.00 0.00 -0.81 0.00 0.00 59.98 58.74 3kit h ARG 262 Cb 1.27 0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.98 3kit h ARG 262 CO 0.93 -0.48 0.00 0.54 -1.51 0.00 0.00 179.97 179.46 3kit n ARG 263 N -4.37 0.79 -1.67 0.20 1.74 -1.26 -4.91 116.66 107.17 3kit n ARG 263 Ca -0.09 0.00 -0.47 0.00 -0.77 0.00 0.00 57.85 56.52 3kit n ARG 263 Cb 0.32 -1.07 -0.04 0.00 -1.02 0.00 0.00 32.46 30.65 3kit n ARG 263 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 3kit n LYS 264 N -0.40 2.18 0.13 5.56 4.81 -1.17 -4.85 118.16 124.42 3kit n LYS 264 Ca 0.00 0.79 0.05 0.00 -0.87 0.00 0.00 58.31 58.28 3kit n LYS 264 Cb 0.03 -2.59 0.49 0.00 0.02 0.00 0.00 35.03 32.98 3kit n LYS 264 CO 0.00 0.00 0.00 -1.00 1.17 0.00 0.00 177.40 177.57 3kit h PRO 265 N 7.20 0.26 0.00 1.64 0.13 -1.93 -2.66 132.00 136.64 3kit h PRO 265 Ca -0.46 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 3kit h PRO 265 Cb 1.26 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.34 3kit h PRO 265 CO 0.91 0.24 0.50 1.03 -0.23 0.00 0.00 178.00 180.45 3kit h SER 266 N 0.26 0.00 0.00 1.44 0.87 -1.98 -3.36 113.55 110.78 3kit h SER 266 Ca 0.07 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.63 3kit h SER 266 Cb 0.09 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.05 3kit h SER 266 CO -0.01 0.00 0.00 -1.20 -0.53 0.00 0.00 176.83 175.09 3kit n SER 267 N -2.30 0.00 -0.96 6.23 7.64 -1.00 -4.03 113.62 119.20 3kit n SER 267 Ca -0.01 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.87 3kit n SER 267 Cb 0.53 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.73 3kit n SER 267 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3kit n ARG 268 N 0.00 -1.05 0.00 1.43 1.74 -1.26 -3.98 116.66 113.54 3kit n ARG 268 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3kit n ARG 268 Cb 0.00 -2.97 0.00 0.00 -1.02 0.00 0.00 32.46 28.47 3kit n ARG 268 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 3kit n PHE 269 N -0.93 0.00 -4.58 -1.55 3.72 -1.26 -5.01 117.46 107.85 3kit n PHE 269 Ca 0.00 0.00 -0.31 0.00 -0.05 0.00 0.00 57.45 57.09 3kit n PHE 269 Cb 0.07 0.02 -0.07 0.00 -0.94 0.00 0.00 39.48 38.57 3kit n PHE 269 CO 0.00 0.00 0.00 0.96 -0.05 0.00 0.00 176.76 177.67 3kit s ILE 270 N 0.00 1.35 0.00 4.37 -5.25 -1.26 0.76 121.20 121.17 3kit s ILE 270 Ca 0.00 -1.90 0.00 0.00 -0.99 0.00 0.00 60.65 57.76 3kit s ILE 270 Cb 0.00 -2.25 0.00 0.00 2.95 0.00 0.00 42.46 43.16 3kit s ILE 270 CO 0.00 0.00 0.00 2.30 -1.79 0.00 0.00 174.94 175.45 3kit n ILE 271 N -1.33 0.00 0.00 8.37 -5.35 -0.64 -4.93 119.36 115.48 3kit n ILE 271 Ca -0.15 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.33 3kit n ILE 271 Cb 0.66 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.56 3kit n ILE 271 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79