#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ita s GLU 7 N 0.00 3.41 -0.03 7.34 0.41 -1.26 -5.06 118.70 123.52 3ita s GLU 7 Ca 0.00 -0.41 -0.30 0.00 -0.41 0.00 0.00 54.97 53.85 3ita s GLU 7 Cb 0.00 -2.93 -0.04 0.00 -1.78 0.00 0.00 34.13 29.38 3ita s GLU 7 CO 0.00 0.48 1.25 0.00 -0.49 0.00 0.00 175.26 176.50 3ita s ALA 8 N -0.27 3.51 0.89 5.21 0.00 -1.26 -4.94 121.76 124.90 3ita s ALA 8 Ca 0.06 0.70 -0.11 0.00 0.00 0.00 0.00 51.96 52.62 3ita s ALA 8 Cb -0.12 -3.53 0.13 0.00 0.00 0.00 0.00 23.12 19.60 3ita s ALA 8 CO 0.02 -0.77 1.16 -2.14 0.00 0.00 0.00 175.76 174.03 3ita s PRO 9 N 2.15 1.18 0.05 0.00 0.02 -1.26 -4.99 135.00 132.16 3ita s PRO 9 Ca 0.58 1.58 -0.03 0.00 0.02 0.00 0.00 61.00 63.15 3ita s PRO 9 Cb -0.27 -1.74 -0.04 0.00 0.02 0.00 0.00 34.50 32.47 3ita s PRO 9 CO 0.24 -2.52 0.25 -1.54 -0.33 0.00 0.00 177.00 173.09 3ita s SER 10 N -2.60 6.41 0.01 2.53 1.04 -1.26 -5.01 113.70 114.83 3ita s SER 10 Ca 0.68 0.40 -0.01 0.00 0.48 0.00 0.00 55.95 57.50 3ita s SER 10 Cb -0.24 -2.02 -0.01 0.00 0.10 0.00 0.00 66.02 63.85 3ita s SER 10 CO 0.56 0.18 -0.00 0.54 0.98 0.00 0.00 173.24 175.50 3ita s VAL 11 N -1.46 0.08 -1.09 5.02 0.11 -1.26 -5.05 120.40 116.74 3ita s VAL 11 Ca 0.33 -0.63 -0.06 0.00 -2.93 0.00 0.00 61.98 58.69 3ita s VAL 11 Cb -0.13 -0.21 0.30 0.00 -1.53 0.00 0.00 36.38 34.81 3ita s VAL 11 CO 0.23 -0.35 1.32 -0.67 -3.33 0.00 0.00 175.10 172.30 3ita n ASP 12 N 2.01 6.01 -3.43 3.54 2.03 -1.26 -4.93 116.55 120.52 3ita n ASP 12 Ca -0.20 -3.25 -0.12 0.00 0.52 0.00 0.00 54.79 51.73 3ita n ASP 12 Cb 0.56 -1.31 -0.02 0.00 -0.72 0.00 0.00 41.12 39.63 3ita n ASP 12 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3ita s ALA 13 N -2.14 -1.62 0.30 -1.67 0.00 -1.26 -4.46 121.76 110.91 3ita s ALA 13 Ca 0.31 0.57 0.01 0.00 0.00 0.00 0.00 51.96 52.86 3ita s ALA 13 Cb -0.02 0.80 0.47 0.00 0.00 0.00 0.00 23.12 24.38 3ita s ALA 13 CO 0.02 -0.73 1.83 -0.09 0.00 0.00 0.00 175.76 176.79 3ita h ARG 14 N 2.09 0.68 -2.43 0.00 2.43 -1.39 -3.45 114.38 112.30 3ita h ARG 14 Ca -0.33 -0.15 -0.05 0.00 -0.81 0.00 0.00 59.98 58.63 3ita h ARG 14 Cb 1.29 -0.09 -0.17 0.00 -0.42 0.00 0.00 29.97 30.58 3ita h ARG 14 CO 0.38 0.67 0.14 0.00 -1.51 0.00 0.00 179.97 179.65 3ita s ALA 15 N -5.03 -1.59 0.21 2.80 0.00 -0.53 -4.74 121.76 112.88 3ita s ALA 15 Ca -0.09 0.94 -0.20 0.00 0.00 0.00 0.00 51.96 52.61 3ita s ALA 15 Cb 0.15 0.27 0.04 0.00 0.00 0.00 0.00 23.12 23.58 3ita s ALA 15 CO 0.79 -0.48 0.60 1.67 0.00 0.00 0.00 175.76 178.34 3ita s TRP 16 N -2.01 -0.25 -0.01 0.00 -2.14 -0.65 -0.19 118.94 113.69 3ita s TRP 16 Ca -0.07 -0.08 -0.21 0.00 2.66 0.00 0.00 56.10 58.39 3ita s TRP 16 Cb -0.01 0.53 0.04 0.00 -3.10 0.00 0.00 33.47 30.94 3ita s TRP 16 CO 0.02 -1.00 0.46 -1.50 -2.66 0.00 0.00 176.95 172.28 3ita s ILE 17 N -3.85 0.04 -0.07 0.66 2.07 -0.07 -1.16 121.20 118.81 3ita s ILE 17 Ca 0.08 -0.30 0.02 0.00 -1.41 0.00 0.00 60.65 59.03 3ita s ILE 17 Cb -0.02 -0.83 0.02 0.00 0.13 0.00 0.00 42.46 41.75 3ita s ILE 17 CO -0.03 -0.17 -0.11 -0.22 -1.91 0.00 0.00 174.94 172.51 3ita s LEU 18 N -1.46 1.54 -0.01 8.50 2.96 -0.48 -0.58 118.68 129.15 3ita s LEU 18 Ca -0.11 -0.29 0.00 0.00 -0.22 0.00 0.00 54.13 53.52 3ita s LEU 18 Cb -0.02 -0.80 0.02 0.00 0.50 0.00 0.00 46.19 45.88 3ita s LEU 18 CO 0.04 0.00 0.01 -0.32 -1.32 0.00 0.00 176.35 174.77 3ita s MET 19 N 0.86 0.01 0.15 1.98 -2.45 0.60 -0.54 119.30 119.91 3ita s MET 19 Ca -0.11 0.09 -0.30 0.00 -1.25 0.00 0.00 55.69 54.12 3ita s MET 19 Cb -0.15 -0.17 -0.07 0.00 1.25 0.00 0.00 34.83 35.69 3ita s MET 19 CO 0.01 -0.09 1.09 0.34 1.05 0.00 0.00 175.02 177.42 3ita s ASP 20 N 0.60 7.28 0.04 1.11 -1.08 -0.17 -0.43 116.67 124.03 3ita s ASP 20 Ca -0.05 2.02 -0.25 0.00 -0.52 0.00 0.00 52.55 53.75 3ita s ASP 20 Cb -0.07 -2.60 -0.17 0.00 -1.46 0.00 0.00 42.92 38.62 3ita s ASP 20 CO -0.02 -0.23 1.53 0.22 0.52 0.00 0.00 175.17 177.20 3ita h TYR 21 N 5.43 -0.07 -0.10 -5.34 3.20 -1.42 -0.86 116.97 117.80 3ita h TYR 21 Ca -0.44 -0.00 -0.18 0.00 3.14 0.00 0.00 58.73 61.25 3ita h TYR 21 Cb 1.21 0.02 -0.00 0.00 1.54 0.00 0.00 36.73 39.50 3ita h TYR 21 CO 0.64 0.14 -0.71 0.00 -1.64 0.00 0.00 178.16 176.59 3ita h ALA 22 N 0.66 0.58 0.00 1.82 0.00 -1.93 -3.33 119.26 117.05 3ita h ALA 22 Ca -0.01 -0.59 -0.16 0.00 0.00 0.00 0.00 54.91 54.15 3ita h ALA 22 Cb 0.24 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 3ita h ALA 22 CO 0.01 0.74 -2.16 -1.13 0.00 0.00 0.00 179.25 176.72 3ita n SER 23 N -3.87 0.07 0.00 0.00 3.41 -1.25 -4.80 113.62 107.18 3ita n SER 23 Ca -0.04 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.57 3ita n SER 23 Cb 0.69 1.54 0.00 0.00 -0.26 0.00 0.00 64.21 66.19 3ita n SER 23 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ita n GLY 24 N 1.50 0.59 3.67 5.00 0.00 -0.33 -4.99 105.19 110.62 3ita n GLY 24 Ca -0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 3ita n GLY 24 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3ita n LYS 25 N -1.92 2.83 -2.39 1.61 4.81 -1.25 -4.66 118.16 117.18 3ita n LYS 25 Ca 0.00 1.03 -0.43 0.00 -0.87 0.00 0.00 58.31 58.04 3ita n LYS 25 Cb 0.04 -2.97 -0.02 0.00 0.02 0.00 0.00 35.03 32.09 3ita n LYS 25 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 3ita s VAL 26 N 3.96 3.95 -0.21 3.15 1.01 -1.26 -1.00 120.40 130.01 3ita s VAL 26 Ca 0.87 0.97 0.22 0.00 0.00 0.00 0.00 61.98 64.04 3ita s VAL 26 Cb -0.46 -4.28 -0.12 0.00 0.00 0.00 0.00 36.38 31.53 3ita s VAL 26 CO 0.41 -0.81 0.87 0.18 0.00 0.00 0.00 175.10 175.75 3ita n LEU 27 N 8.68 0.56 -3.54 3.92 4.77 0.29 -4.94 117.00 126.75 3ita n LEU 27 Ca 0.16 0.19 -0.10 0.00 -0.03 0.00 0.00 56.01 56.23 3ita n LEU 27 Cb 0.48 -0.05 -0.04 0.00 -2.33 0.00 0.00 43.42 41.49 3ita n LEU 27 CO 0.71 -0.11 0.71 0.00 -1.33 0.00 0.00 177.39 177.37 3ita s ALA 28 N -3.40 -1.87 -0.28 -1.18 0.00 -1.22 -4.98 121.76 108.83 3ita s ALA 28 Ca -0.02 1.30 -0.24 0.00 0.00 0.00 0.00 51.96 52.99 3ita s ALA 28 Cb 0.11 -0.13 0.13 0.00 0.00 0.00 0.00 23.12 23.24 3ita s ALA 28 CO 0.83 -0.49 1.09 -1.83 0.00 0.00 0.00 175.76 175.36 3ita s GLU 29 N -2.04 0.43 -0.15 0.00 -1.05 -1.26 -1.38 118.70 113.25 3ita s GLU 29 Ca 0.01 0.53 -0.02 0.00 -0.15 0.00 0.00 54.97 55.33 3ita s GLU 29 Cb -0.01 0.20 0.05 0.00 -0.44 0.00 0.00 34.13 33.93 3ita s GLU 29 CO -0.02 -0.05 0.01 0.20 0.95 0.00 0.00 175.26 176.34 3ita s GLY 30 N 0.26 0.68 -1.45 -3.83 0.00 -0.31 -4.84 107.32 97.83 3ita s GLY 30 Ca 0.03 -0.54 -0.09 0.00 0.00 0.00 0.00 44.72 44.12 3ita s GLY 30 CO -0.08 1.24 0.88 0.70 0.00 0.00 0.00 173.10 175.84 3ita n ASN 31 N 5.05 -3.52 0.00 1.64 3.02 -1.26 -1.63 115.26 118.55 3ita n ASN 31 Ca -0.09 -0.79 0.02 0.00 -0.03 0.00 0.00 54.58 53.68 3ita n ASN 31 Cb 0.48 -3.94 0.09 0.00 -0.61 0.00 0.00 39.78 35.81 3ita n ASN 31 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3ita n ALA 32 N -4.55 1.42 -0.19 5.41 0.00 -1.26 -1.90 120.51 119.44 3ita n ALA 32 Ca -0.08 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.34 3ita n ALA 32 Cb 0.58 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.97 3ita n ALA 32 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3ita n ASP 33 N -1.22 0.42 -4.69 0.00 8.00 -1.26 -0.96 116.55 116.83 3ita n ASP 33 Ca 0.02 -0.74 -0.54 0.00 0.71 0.00 0.00 54.79 54.24 3ita n ASP 33 Cb 0.02 0.27 -0.06 0.00 -0.02 0.00 0.00 41.12 41.34 3ita n ASP 33 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3ita n GLU 34 N -0.27 1.56 -2.15 -1.24 1.02 -0.80 -4.92 120.64 113.84 3ita n GLU 34 Ca 0.00 0.57 -0.43 0.00 -0.02 0.00 0.00 57.16 57.28 3ita n GLU 34 Cb 0.05 -2.32 -0.02 0.00 -0.02 0.00 0.00 31.44 29.13 3ita n GLU 34 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 3ita s LYS 35 N 3.54 3.75 0.45 3.49 1.02 -1.26 -4.37 119.74 126.36 3ita s LYS 35 Ca 0.95 1.55 0.06 0.00 0.02 0.00 0.00 55.97 58.55 3ita s LYS 35 Cb -0.91 -4.03 -0.02 0.00 -0.52 0.00 0.00 37.83 32.34 3ita s LYS 35 CO 0.59 -1.35 0.24 -0.51 -0.92 0.00 0.00 175.35 173.40 3ita s LEU 36 N 5.29 2.98 -0.16 3.17 1.43 -0.14 -4.93 118.68 126.32 3ita s LEU 36 Ca 0.70 -1.13 -0.29 0.00 -1.03 0.00 0.00 54.13 52.38 3ita s LEU 36 Cb -0.23 -1.40 -0.01 0.00 0.03 0.00 0.00 46.19 44.59 3ita s LEU 36 CO 0.29 -0.72 1.07 -0.62 0.23 0.00 0.00 176.35 176.60 3ita s ASP 37 N -4.02 7.13 0.50 2.29 -1.08 -1.26 -0.19 116.67 120.04 3ita s ASP 37 Ca 0.37 1.52 0.28 0.00 -0.52 0.00 0.00 52.55 54.20 3ita s ASP 37 Cb 0.01 -2.55 1.20 0.00 -1.46 0.00 0.00 42.92 40.12 3ita s ASP 37 CO 0.21 -0.58 1.93 1.55 0.52 0.00 0.00 175.17 178.80 3ita h PRO 38 N 7.39 0.00 0.00 4.34 0.13 -1.88 -3.45 132.00 138.54 3ita h PRO 38 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 3ita h PRO 38 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 3ita h PRO 38 CO 0.92 0.13 0.00 0.00 -0.23 0.00 0.00 178.00 178.82 3ita n ALA 39 N -2.19 0.00 0.26 -0.56 0.00 -1.23 -1.88 120.51 114.91 3ita n ALA 39 Ca -0.00 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.47 3ita n ALA 39 Cb 0.35 0.00 0.15 0.00 0.00 0.00 0.00 19.45 19.95 3ita n ALA 39 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3ita n SER 40 N 2.72 0.00 0.24 0.00 7.64 -1.26 -0.63 113.62 122.33 3ita n SER 40 Ca 0.00 0.40 0.11 0.00 1.01 0.00 0.00 58.87 60.39 3ita n SER 40 Cb 0.00 -0.43 0.56 0.00 -1.01 0.00 0.00 64.21 63.32 3ita n SER 40 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 3ita h LEU 41 N 0.00 0.00 -1.56 -3.43 3.38 -1.57 -2.33 115.31 109.79 3ita h LEU 41 Ca 0.00 0.00 0.45 0.00 0.09 0.00 0.00 57.88 58.42 3ita h LEU 41 Cb 0.10 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 40.74 3ita h LEU 41 CO 0.00 0.19 0.96 0.74 0.09 0.00 0.00 178.44 180.43 3ita h THR 42 N 0.00 0.12 0.00 0.22 2.02 -1.04 -1.78 112.91 112.45 3ita h THR 42 Ca -0.00 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 67.16 3ita h THR 42 Cb 0.60 0.05 0.00 0.00 -1.74 0.00 0.00 68.15 67.07 3ita h THR 42 CO 0.03 0.01 0.00 0.11 0.37 0.00 0.00 175.52 176.04 3ita h LYS 43 N 0.07 0.00 -0.69 6.66 1.57 -1.63 -0.56 116.57 121.98 3ita h LYS 43 Ca 0.82 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 59.54 3ita h LYS 43 Cb 2.78 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 35.06 3ita h LYS 43 CO -0.31 0.00 0.19 0.82 -0.57 0.00 0.00 179.45 179.58 3ita h ILE 44 N 0.00 1.26 -0.12 1.86 2.04 -1.54 -1.04 117.51 119.97 3ita h ILE 44 Ca 0.00 -0.93 -0.22 0.00 1.00 0.00 0.00 64.86 64.71 3ita h ILE 44 Cb 0.30 0.52 0.01 0.00 -0.74 0.00 0.00 36.82 36.91 3ita h ILE 44 CO 0.00 0.36 -0.80 -0.03 0.00 0.00 0.00 178.15 177.68 3ita h MET 45 N 1.04 0.67 -0.67 2.37 4.05 -1.29 0.46 114.93 121.56 3ita h MET 45 Ca 0.22 -0.57 0.06 0.00 -0.28 0.00 0.00 59.70 59.13 3ita h MET 45 Cb 0.34 0.13 -0.06 0.00 -0.80 0.00 0.00 31.60 31.21 3ita h MET 45 CO -0.00 1.19 0.36 1.15 0.23 0.00 0.00 176.91 179.84 3ita h THR 46 N 0.45 0.95 -0.22 -0.77 2.02 -1.36 -0.49 112.91 113.48 3ita h THR 46 Ca -0.06 -0.23 -0.17 0.00 0.77 0.00 0.00 66.41 66.72 3ita h THR 46 Cb 1.42 0.23 -0.00 0.00 -1.74 0.00 0.00 68.15 68.05 3ita h THR 46 CO 0.16 0.12 -0.55 -1.28 0.37 0.00 0.00 175.52 174.33 3ita h SER 47 N 0.67 0.76 -0.39 4.18 0.87 -1.04 -1.87 113.55 116.72 3ita h SER 47 Ca 0.30 -0.41 0.08 0.00 -1.23 0.00 0.00 61.79 60.54 3ita h SER 47 Cb 0.21 -0.22 -0.08 0.00 -0.44 0.00 0.00 62.40 61.87 3ita h SER 47 CO -0.19 1.16 -0.19 0.22 -0.53 0.00 0.00 176.83 177.29 3ita h TYR 48 N 0.52 -0.48 0.19 2.24 3.20 -0.26 0.16 116.97 122.54 3ita h TYR 48 Ca 0.01 0.04 -0.01 0.00 3.14 0.00 0.00 58.73 61.91 3ita h TYR 48 Cb 1.12 0.27 0.00 0.00 1.54 0.00 0.00 36.73 39.67 3ita h TYR 48 CO 0.06 -0.27 -0.09 0.28 -1.64 0.00 0.00 178.16 176.49 3ita h VAL 49 N -0.12 0.90 -0.62 1.81 2.07 -0.94 -1.82 116.25 117.53 3ita h VAL 49 Ca 0.19 -0.51 0.12 0.00 0.82 0.00 0.00 66.70 67.33 3ita h VAL 49 Cb 0.42 1.20 -0.09 0.00 -1.52 0.00 0.00 31.29 31.30 3ita h VAL 49 CO -0.47 0.11 0.12 0.58 0.02 0.00 0.00 177.57 177.94 3ita h VAL 50 N -0.51 0.61 -0.88 2.57 2.07 -1.30 -0.47 116.25 118.35 3ita h VAL 50 Ca -0.03 -0.08 0.14 0.00 0.82 0.00 0.00 66.70 67.55 3ita h VAL 50 Cb 0.38 0.34 -0.07 0.00 -1.52 0.00 0.00 31.29 30.43 3ita h VAL 50 CO 0.04 0.05 0.57 1.23 0.02 0.00 0.00 177.57 179.47 3ita h GLY 51 N 0.25 1.16 1.58 2.17 0.00 -0.56 -2.05 103.07 105.61 3ita h GLY 51 Ca 0.33 -0.29 -0.18 0.00 0.00 0.00 0.00 47.33 47.18 3ita h GLY 51 CO -0.43 0.09 -0.72 1.46 0.00 0.00 0.00 176.54 176.94 3ita h GLN 52 N 0.67 0.42 -0.07 4.80 1.08 -0.22 -1.65 115.11 120.14 3ita h GLN 52 Ca 0.44 -0.34 -0.09 0.00 -1.45 0.00 0.00 58.65 57.21 3ita h GLN 52 Cb 0.71 0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 28.20 3ita h GLN 52 CO -0.19 0.97 -0.38 0.00 -0.95 0.00 0.00 178.83 178.27 3ita h ALA 53 N 0.93 1.23 0.09 3.87 0.00 -0.92 -1.30 119.26 123.18 3ita h ALA 53 Ca -0.03 -0.38 -0.28 0.00 0.00 0.00 0.00 54.91 54.22 3ita h ALA 53 Cb 1.29 -0.08 0.02 0.00 0.00 0.00 0.00 17.79 19.02 3ita h ALA 53 CO 0.12 0.54 -1.18 -0.07 0.00 0.00 0.00 179.25 178.66 3ita h LEU 54 N 0.12 0.77 -1.05 0.00 3.38 -1.26 0.95 115.31 118.22 3ita h LEU 54 Ca 0.01 -0.70 -0.08 0.00 0.09 0.00 0.00 57.88 57.20 3ita h LEU 54 Cb 0.74 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 3ita h LEU 54 CO 0.06 1.51 -0.24 0.50 0.09 0.00 0.00 178.44 180.36 3ita h LYS 55 N 0.26 0.39 -0.03 1.13 3.64 -1.00 -2.34 116.57 118.61 3ita h LYS 55 Ca -0.16 -0.14 0.00 0.00 -1.27 0.00 0.00 60.65 59.09 3ita h LYS 55 Cb 1.85 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.64 3ita h LYS 55 CO 0.22 0.61 0.00 0.00 -2.27 0.00 0.00 179.45 178.01 3ita n ALA 56 N -2.48 2.60 -2.26 5.00 0.00 -0.51 -4.92 120.51 117.93 3ita n ALA 56 Ca -0.00 -0.36 -0.20 0.00 0.00 0.00 0.00 53.44 52.87 3ita n ALA 56 Cb 0.38 -1.26 -0.02 0.00 0.00 0.00 0.00 19.45 18.54 3ita n ALA 56 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3ita n ASP 57 N -0.20 -5.74 0.09 0.00 8.00 -0.88 -4.90 116.55 112.92 3ita n ASP 57 Ca 0.20 0.08 -0.01 0.00 0.71 0.00 0.00 54.79 55.76 3ita n ASP 57 Cb 0.26 -4.83 -0.05 0.00 -0.02 0.00 0.00 41.12 36.49 3ita n ASP 57 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 3ita h LYS 58 N 0.00 0.00 -5.28 -1.24 1.79 -1.07 -3.45 116.57 107.33 3ita h LYS 58 Ca -0.47 0.00 -0.45 0.00 -2.18 0.00 0.00 60.65 57.55 3ita h LYS 58 Cb 1.35 0.00 -0.14 0.00 -1.58 0.00 0.00 32.23 31.86 3ita h LYS 58 CO 0.58 0.63 -0.65 0.96 -1.08 0.00 0.00 179.45 179.89 3ita s ILE 59 N -2.86 1.29 0.10 1.86 -4.36 -1.10 -5.04 121.20 111.10 3ita s ILE 59 Ca 0.02 -2.05 0.04 0.00 -0.26 0.00 0.00 60.65 58.39 3ita s ILE 59 Cb 0.08 -2.54 -0.04 0.00 1.25 0.00 0.00 42.46 41.22 3ita s ILE 59 CO 0.78 -0.20 -0.10 -0.54 0.24 0.00 0.00 174.94 175.12 3ita s LYS 60 N -3.83 0.85 0.54 0.37 1.02 -1.26 -4.54 119.74 112.88 3ita s LYS 60 Ca 0.32 -1.16 0.20 0.00 0.02 0.00 0.00 55.97 55.35 3ita s LYS 60 Cb 0.06 -0.53 1.42 0.00 -0.52 0.00 0.00 37.83 38.26 3ita s LYS 60 CO 0.12 0.08 2.17 -0.07 -0.92 0.00 0.00 175.35 176.73 3ita h LEU 61 N 3.56 0.00 0.00 3.17 3.38 -1.97 -2.04 115.31 121.42 3ita h LEU 61 Ca -0.37 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.60 3ita h LEU 61 Cb 1.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.94 3ita h LEU 61 CO 0.53 0.02 -0.24 0.35 0.09 0.00 0.00 178.44 179.18 3ita n THR 62 N -4.29 0.22 -1.69 0.22 -2.24 -1.26 -1.02 114.28 104.22 3ita n THR 62 Ca -0.03 -0.13 -0.44 0.00 -2.27 0.00 0.00 64.05 61.18 3ita n THR 62 Cb 0.10 -0.28 -0.03 0.00 -2.10 0.00 0.00 70.33 68.03 3ita n THR 62 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3ita n ASP 63 N -1.82 3.13 -4.82 3.42 8.00 -0.77 -4.77 116.55 118.93 3ita n ASP 63 Ca 0.06 1.13 -0.38 0.00 0.71 0.00 0.00 54.79 56.31 3ita n ASP 63 Cb 0.38 -1.47 -0.06 0.00 -0.02 0.00 0.00 41.12 39.95 3ita n ASP 63 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 3ita s MET 64 N -0.15 4.16 -0.04 -1.24 -1.94 -1.26 -0.67 119.30 118.16 3ita s MET 64 Ca 0.69 0.69 0.05 0.00 -1.71 0.00 0.00 55.69 55.42 3ita s MET 64 Cb -0.61 -3.15 -0.01 0.00 2.01 0.00 0.00 34.83 33.07 3ita s MET 64 CO 0.47 0.59 -0.20 0.08 -0.01 0.00 0.00 175.02 175.95 3ita s VAL 65 N -1.21 1.63 -0.23 -6.03 1.01 0.32 -4.92 120.40 110.98 3ita s VAL 65 Ca 0.32 -0.84 -0.17 0.00 0.00 0.00 0.00 61.98 61.29 3ita s VAL 65 Cb -0.18 -1.39 -0.03 0.00 0.00 0.00 0.00 36.38 34.78 3ita s VAL 65 CO 0.19 0.46 0.46 -0.89 0.00 0.00 0.00 175.10 175.33 3ita s THR 66 N -0.10 5.13 -0.21 3.92 2.01 -1.26 -1.50 115.64 123.64 3ita s THR 66 Ca -0.02 0.81 -0.29 0.00 0.31 0.00 0.00 61.69 62.50 3ita s THR 66 Cb -0.12 -3.79 -0.01 0.00 0.01 0.00 0.00 72.50 68.60 3ita s THR 66 CO 0.02 0.17 1.30 -0.69 -0.69 0.00 0.00 174.62 174.73 3ita s VAL 67 N 1.79 4.20 0.94 3.82 1.01 -0.94 -4.96 120.40 126.26 3ita s VAL 67 Ca 0.21 1.42 -0.15 0.00 0.00 0.00 0.00 61.98 63.46 3ita s VAL 67 Cb -0.15 -4.02 0.19 0.00 0.00 0.00 0.00 36.38 32.39 3ita s VAL 67 CO 0.09 -0.24 1.30 -0.83 0.00 0.00 0.00 175.10 175.42 3ita s GLY 68 N 2.34 1.76 0.33 4.51 0.00 -1.26 -1.33 107.32 113.66 3ita s GLY 68 Ca 0.56 -1.17 0.02 0.00 0.00 0.00 0.00 44.72 44.14 3ita s GLY 68 CO 0.18 -0.43 1.94 0.07 0.00 0.00 0.00 173.10 174.86 3ita h LYS 69 N -1.55 0.90 0.00 2.90 2.10 -1.97 -2.83 116.57 116.11 3ita h LYS 69 Ca -0.44 -0.05 0.00 0.00 -2.00 0.00 0.00 60.65 58.15 3ita h LYS 69 Cb 1.24 -0.20 0.00 0.00 -0.90 0.00 0.00 32.23 32.37 3ita h LYS 69 CO 0.41 0.59 0.00 -0.40 -2.00 0.00 0.00 179.45 178.05 3ita n ASP 70 N -4.48 0.00 -3.68 7.07 5.75 -1.26 -3.76 116.55 116.19 3ita n ASP 70 Ca 0.12 0.48 -0.38 0.00 -0.01 0.00 0.00 54.79 55.00 3ita n ASP 70 Cb 0.19 -0.49 -0.01 0.00 -1.03 0.00 0.00 41.12 39.78 3ita n ASP 70 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3ita n ALA 71 N -1.49 5.21 0.00 2.12 0.00 -1.07 -5.04 120.51 120.24 3ita n ALA 71 Ca 0.03 -4.74 0.00 0.00 0.00 0.00 0.00 53.44 48.74 3ita n ALA 71 Cb 0.16 -1.88 0.00 0.00 0.00 0.00 0.00 19.45 17.73 3ita n ALA 71 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 177.50 174.83 3ita n TRP 72 N 0.66 0.00 -2.74 0.00 4.27 -1.25 -4.57 117.44 113.81 3ita n TRP 72 Ca 0.33 0.00 0.03 0.00 -3.89 0.00 0.00 57.50 53.97 3ita n TRP 72 Cb 0.33 0.00 0.01 0.00 -1.36 0.00 0.00 31.31 30.29 3ita n TRP 72 CO 0.00 0.00 0.00 0.08 -2.29 0.00 0.00 177.69 175.48 3ita s VAL 84 N 0.00 -0.03 -0.67 -1.67 1.01 -1.26 -5.12 120.40 112.66 3ita s VAL 84 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 61.98 61.72 3ita s VAL 84 Cb 0.00 -0.00 -0.03 0.00 0.00 0.00 0.00 36.38 36.35 3ita s VAL 84 CO 0.00 0.00 1.89 -0.32 0.00 0.00 0.00 175.10 176.67 3ita s MET 85 N 2.15 2.60 -0.50 2.72 -2.45 -1.26 -4.89 119.30 117.67 3ita s MET 85 Ca 0.17 0.44 -0.46 0.00 -1.25 0.00 0.00 55.69 54.58 3ita s MET 85 Cb 0.04 -4.53 -0.20 0.00 1.25 0.00 0.00 34.83 31.40 3ita s MET 85 CO -0.18 -2.88 1.63 1.19 1.05 0.00 0.00 175.02 175.84 3ita n PHE 86 N 13.06 1.70 -3.88 4.11 3.01 -1.26 -4.78 117.46 129.43 3ita n PHE 86 Ca 0.25 1.11 -0.11 0.00 1.01 0.00 0.00 57.45 59.71 3ita n PHE 86 Cb 0.51 -2.22 -0.10 0.00 -0.01 0.00 0.00 39.48 37.66 3ita n PHE 86 CO 0.00 0.00 0.00 -1.17 1.01 0.00 0.00 176.76 176.60 3ita s LEU 87 N 3.20 1.61 0.09 4.37 2.96 -1.26 -5.13 118.68 124.52 3ita s LEU 87 Ca 1.05 -0.25 0.02 0.00 -0.22 0.00 0.00 54.13 54.74 3ita s LEU 87 Cb -1.49 0.64 -0.04 0.00 0.50 0.00 0.00 46.19 45.80 3ita s LEU 87 CO 0.80 -0.38 -0.07 -0.75 -1.32 0.00 0.00 176.35 174.63 3ita s LYS 88 N -1.47 0.81 0.73 1.98 2.20 -1.26 -4.78 119.74 117.95 3ita s LYS 88 Ca -0.14 -1.27 -0.13 0.00 -0.36 0.00 0.00 55.97 54.07 3ita s LYS 88 Cb -0.07 -0.26 0.04 0.00 -1.51 0.00 0.00 37.83 36.02 3ita s LYS 88 CO 0.01 0.00 1.13 -1.25 -0.36 0.00 0.00 175.35 174.88 3ita s PRO 89 N -3.51 2.32 0.00 4.03 0.04 -1.26 -3.32 135.00 133.31 3ita s PRO 89 Ca 0.09 1.44 0.00 0.00 0.04 0.00 0.00 61.00 62.57 3ita s PRO 89 Cb 0.03 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.68 3ita s PRO 89 CO -0.04 -1.63 0.00 0.41 0.04 0.00 0.00 177.00 175.79 3ita n GLY 90 N -0.39 1.87 3.33 0.56 0.00 -0.45 -4.98 105.19 105.14 3ita n GLY 90 Ca 0.11 -0.31 -0.37 0.00 0.00 0.00 0.00 46.02 45.45 3ita n GLY 90 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3ita n ASP 91 N 1.55 -2.63 -4.02 1.61 9.92 -1.21 -4.68 116.55 117.08 3ita n ASP 91 Ca 0.00 0.57 -0.30 0.00 -0.53 0.00 0.00 54.79 54.53 3ita n ASP 91 Cb 0.00 -1.03 -0.16 0.00 -0.64 0.00 0.00 41.12 39.28 3ita n ASP 91 CO 0.00 0.00 0.00 -1.10 0.13 0.00 0.00 177.20 176.23 3ita s GLN 92 N -2.04 2.30 -0.02 -1.24 -0.21 -1.26 -2.21 119.66 114.98 3ita s GLN 92 Ca 0.60 -0.56 0.04 0.00 0.02 0.00 0.00 55.36 55.46 3ita s GLN 92 Cb -0.38 -2.10 -0.01 0.00 1.00 0.00 0.00 33.01 31.52 3ita s GLN 92 CO 0.64 -0.23 -0.14 0.08 -2.12 0.00 0.00 175.29 173.51 3ita s VAL 93 N 1.47 1.15 0.57 1.09 1.01 -0.56 -4.88 120.40 120.25 3ita s VAL 93 Ca 0.05 -0.61 -0.20 0.00 0.00 0.00 0.00 61.98 61.22 3ita s VAL 93 Cb -0.13 -0.97 -0.04 0.00 0.00 0.00 0.00 36.38 35.24 3ita s VAL 93 CO -0.10 0.33 1.26 -0.94 0.00 0.00 0.00 175.10 175.64 3ita s SER 94 N -0.25 5.25 0.17 3.32 1.04 -1.26 -0.52 113.70 121.46 3ita s SER 94 Ca 0.04 2.53 -0.24 0.00 0.48 0.00 0.00 55.95 58.75 3ita s SER 94 Cb -0.07 -2.61 0.06 0.00 0.10 0.00 0.00 66.02 63.50 3ita s SER 94 CO -0.00 -1.56 1.58 0.58 0.98 0.00 0.00 173.24 174.81 3ita h VAL 95 N 1.13 0.12 -0.83 5.02 2.07 -0.94 -0.38 116.25 122.45 3ita h VAL 95 Ca -0.51 0.00 0.20 0.00 0.82 0.00 0.00 66.70 67.22 3ita h VAL 95 Cb 1.30 0.12 -0.12 0.00 -1.52 0.00 0.00 31.29 31.07 3ita h VAL 95 CO 0.56 0.00 0.26 0.00 0.02 0.00 0.00 177.57 178.41 3ita h ALA 96 N 0.73 1.20 -0.19 1.67 0.00 -1.34 0.43 119.26 121.76 3ita h ALA 96 Ca 0.19 0.18 -0.21 0.00 0.00 0.00 0.00 54.91 55.08 3ita h ALA 96 Cb 0.56 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.59 3ita h ALA 96 CO -0.66 -0.37 -0.69 -0.44 0.00 0.00 0.00 179.25 177.08 3ita h ASP 97 N 0.29 0.90 -0.47 0.00 3.32 -1.75 -2.05 116.42 116.66 3ita h ASP 97 Ca 0.50 -0.55 -0.07 0.00 0.02 0.00 0.00 57.03 56.94 3ita h ASP 97 Cb 0.93 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 40.20 3ita h ASP 97 CO -0.56 1.34 0.03 -0.07 -1.72 0.00 0.00 179.24 178.26 3ita h LEU 98 N 0.55 0.79 -0.34 1.55 4.07 0.06 -0.24 115.31 121.75 3ita h LEU 98 Ca -0.03 -0.29 0.02 0.00 0.08 0.00 0.00 57.88 57.66 3ita h LEU 98 Cb 1.31 -0.21 -0.02 0.00 1.08 0.00 0.00 40.66 42.81 3ita h LEU 98 CO 0.14 0.88 0.19 -1.13 -1.08 0.00 0.00 178.44 177.44 3ita h ASN 99 N 0.67 0.29 -0.05 -0.43 -0.00 -0.16 -1.01 115.58 114.90 3ita h ASN 99 Ca 0.14 0.01 -0.04 0.00 -0.00 0.00 0.00 56.30 56.41 3ita h ASN 99 Cb 0.46 -0.05 -0.01 0.00 -0.00 0.00 0.00 38.32 38.71 3ita h ASN 99 CO 0.02 0.21 -0.05 0.11 -0.00 0.00 0.00 177.43 177.72 3ita h LYS 100 N 0.38 0.26 -0.57 6.67 1.57 -1.15 -1.25 116.57 122.48 3ita h LYS 100 Ca 0.14 -0.05 -0.09 0.00 -1.87 0.00 0.00 60.65 58.78 3ita h LYS 100 Cb 0.02 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.27 3ita h LYS 100 CO -0.08 0.33 -0.00 0.78 -0.57 0.00 0.00 179.45 179.92 3ita h GLY 101 N 0.63 1.08 0.93 3.86 0.00 -0.17 0.17 103.07 109.57 3ita h GLY 101 Ca 0.06 -0.79 -0.04 0.00 0.00 0.00 0.00 47.33 46.55 3ita h GLY 101 CO 0.01 0.73 0.09 -2.08 0.00 0.00 0.00 176.54 175.30 3ita h VAL 102 N 0.89 1.23 0.01 4.60 2.07 -0.90 0.28 116.25 124.42 3ita h VAL 102 Ca 0.16 -0.78 -0.27 0.00 0.82 0.00 0.00 66.70 66.63 3ita h VAL 102 Cb 0.55 0.99 -0.04 0.00 -1.52 0.00 0.00 31.29 31.27 3ita h VAL 102 CO 0.03 0.27 -1.50 -0.38 0.02 0.00 0.00 177.57 176.01 3ita n ILE 103 N -4.58 1.56 -0.00 4.57 5.41 -0.50 -2.25 119.36 123.57 3ita n ILE 103 Ca -0.01 -0.14 -0.17 0.00 1.00 0.00 0.00 62.75 63.44 3ita n ILE 103 Cb 0.20 -1.99 -0.13 0.00 -0.71 0.00 0.00 39.64 37.01 3ita n ILE 103 CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 3ita h ILE 104 N -0.89 1.59 0.00 1.39 2.04 -0.87 -3.39 117.51 117.38 3ita h ILE 104 Ca -0.40 -2.30 0.00 0.00 1.00 0.00 0.00 64.86 63.15 3ita h ILE 104 Cb 1.42 3.09 0.00 0.00 -0.74 0.00 0.00 36.82 40.59 3ita h ILE 104 CO -0.21 0.63 -1.47 0.00 0.00 0.00 0.00 178.15 177.11 3ita n GLN 105 N -4.35 0.41 -3.89 2.37 6.02 -1.15 -3.69 117.38 113.10 3ita n GLN 105 Ca -0.11 -0.08 -0.36 0.00 -0.01 0.00 0.00 57.00 56.43 3ita n GLN 105 Cb 0.64 -1.55 0.02 0.00 1.02 0.00 0.00 30.24 30.37 3ita n GLN 105 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 3ita n SER 106 N -2.04 -3.83 -4.71 1.08 7.64 -0.44 -4.75 113.62 106.56 3ita n SER 106 Ca -0.00 -1.13 -0.42 0.00 1.01 0.00 0.00 58.87 58.33 3ita n SER 106 Cb 0.48 -2.66 -0.03 0.00 -1.01 0.00 0.00 64.21 60.99 3ita n SER 106 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 3ita s GLY 107 N -3.67 2.93 0.14 0.23 0.00 0.84 -4.07 107.32 103.72 3ita s GLY 107 Ca 0.39 0.55 -0.06 0.00 0.00 0.00 0.00 44.72 45.60 3ita s GLY 107 CO 0.91 1.64 1.35 3.43 0.00 0.00 0.00 173.10 180.43 3ita h ASN 108 N 6.52 0.64 -0.29 1.64 2.35 -1.92 -2.90 115.58 121.62 3ita h ASN 108 Ca -0.41 -0.45 0.00 0.00 -0.55 0.00 0.00 56.30 54.89 3ita h ASN 108 Cb 1.22 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 39.38 3ita h ASN 108 CO 0.74 1.22 0.19 -2.24 -1.65 0.00 0.00 177.43 175.69 3ita h ASP 109 N 0.34 0.34 -0.49 5.81 3.04 -1.91 -2.52 116.42 121.02 3ita h ASP 109 Ca -0.06 -0.01 0.06 0.00 -3.24 0.00 0.00 57.03 53.78 3ita h ASP 109 Cb 1.43 -0.08 -0.05 0.00 -1.04 0.00 0.00 39.33 39.58 3ita h ASP 109 CO 0.15 0.25 0.19 0.00 -2.04 0.00 0.00 179.24 177.78 3ita h ALA 110 N 1.10 0.60 -0.56 4.15 0.00 -1.86 -0.65 119.26 122.05 3ita h ALA 110 Ca 0.11 0.06 0.11 0.00 0.00 0.00 0.00 54.91 55.19 3ita h ALA 110 Cb -0.04 0.02 -0.10 0.00 0.00 0.00 0.00 17.79 17.68 3ita h ALA 110 CO -0.02 -0.20 -0.02 0.00 0.00 0.00 0.00 179.25 179.01 3ita h ILE 112 N 0.10 1.26 -0.54 0.00 2.04 -0.94 0.43 117.51 119.85 3ita h ILE 112 Ca 0.28 -0.98 -0.04 0.00 1.00 0.00 0.00 64.86 65.12 3ita h ILE 112 Cb 0.45 1.10 -0.02 0.00 -0.74 0.00 0.00 36.82 37.61 3ita h ILE 112 CO -0.49 0.33 0.19 0.00 0.00 0.00 0.00 178.15 178.18 3ita h ALA 113 N 0.89 0.71 -0.19 1.87 0.00 -0.71 -1.31 119.26 120.52 3ita h ALA 113 Ca 0.12 -0.18 -0.18 0.00 0.00 0.00 0.00 54.91 54.67 3ita h ALA 113 Cb 0.46 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 3ita h ALA 113 CO 0.02 0.35 -0.60 1.25 0.00 0.00 0.00 179.25 180.28 3ita h LEU 114 N 0.75 0.71 -0.40 0.00 5.85 -0.99 -1.59 115.31 119.62 3ita h LEU 114 Ca 0.18 -0.40 -0.06 0.00 0.84 0.00 0.00 57.88 58.44 3ita h LEU 114 Cb 0.25 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 3ita h LEU 114 CO -0.01 1.14 0.03 0.00 -0.34 0.00 0.00 178.44 179.26 3ita h ALA 115 N 0.87 0.54 -0.67 1.25 0.00 -0.61 0.17 119.26 120.80 3ita h ALA 115 Ca -0.00 -0.24 0.03 0.00 0.00 0.00 0.00 54.91 54.70 3ita h ALA 115 Cb 1.16 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.76 3ita h ALA 115 CO 0.12 0.29 0.42 -0.44 0.00 0.00 0.00 179.25 179.64 3ita h ASP 116 N 0.53 0.68 -0.00 0.00 3.32 -1.26 -1.45 116.42 118.24 3ita h ASP 116 Ca 0.12 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.17 3ita h ASP 116 Cb 0.44 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 39.84 3ita h ASP 116 CO 0.02 0.47 0.00 0.22 -1.72 0.00 0.00 179.24 178.22 3ita h TYR 117 N 0.81 0.00 -0.25 4.55 3.20 -0.81 0.36 116.97 124.84 3ita h TYR 117 Ca 0.27 -0.00 -0.11 0.00 3.14 0.00 0.00 58.73 62.03 3ita h TYR 117 Cb 0.03 -0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.30 3ita h TYR 117 CO -0.05 0.17 -0.29 0.28 -1.64 0.00 0.00 178.16 176.64 3ita h VAL 118 N -0.17 1.31 -0.00 1.81 2.07 -0.98 -3.36 116.25 116.92 3ita h VAL 118 Ca 0.00 -1.47 0.00 0.00 0.82 0.00 0.00 66.70 66.05 3ita h VAL 118 Cb 0.17 1.69 0.00 0.00 -1.52 0.00 0.00 31.29 31.63 3ita h VAL 118 CO -0.00 0.46 -0.02 0.00 0.02 0.00 0.00 177.57 178.03 3ita n ALA 119 N -2.49 2.44 0.00 1.67 0.00 -0.55 -5.01 120.51 116.57 3ita n ALA 119 Ca -0.05 -0.42 0.00 0.00 0.00 0.00 0.00 53.44 52.97 3ita n ALA 119 Cb 0.47 -0.07 0.00 0.00 0.00 0.00 0.00 19.45 19.85 3ita n ALA 119 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ita n GLY 120 N 0.30 3.09 3.61 0.00 0.00 0.13 -4.63 105.19 107.69 3ita n GLY 120 Ca 0.01 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.91 3ita n GLY 120 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ita s SER 121 N -0.97 -0.54 0.22 1.61 1.04 -1.25 -4.79 113.70 109.02 3ita s SER 121 Ca 0.00 0.93 -0.14 0.00 0.48 0.00 0.00 55.95 57.23 3ita s SER 121 Cb 0.00 0.91 0.26 0.00 0.10 0.00 0.00 66.02 67.28 3ita s SER 121 CO 0.00 -0.26 1.61 1.56 0.98 0.00 0.00 173.24 177.12 3ita h GLN 122 N 4.01 -0.03 -0.75 4.02 4.20 -1.89 0.19 115.11 124.86 3ita h GLN 122 Ca -0.27 0.00 0.17 0.00 0.06 0.00 0.00 58.65 58.61 3ita h GLN 122 Cb 1.17 0.01 -0.11 0.00 0.30 0.00 0.00 27.48 28.84 3ita h GLN 122 CO 0.16 -0.02 0.18 1.49 -0.67 0.00 0.00 178.83 179.97 3ita h GLU 123 N -0.03 0.26 0.18 1.46 4.81 -1.96 0.18 114.58 119.48 3ita h GLU 123 Ca 0.32 -0.02 -0.31 0.00 -0.13 0.00 0.00 59.36 59.23 3ita h GLU 123 Cb 0.53 -0.06 0.01 0.00 0.63 0.00 0.00 28.75 29.87 3ita h GLU 123 CO -0.73 0.17 -1.45 0.66 -0.73 0.00 0.00 179.01 176.93 3ita h SER 124 N 0.27 0.59 -0.48 1.04 4.64 -1.36 -1.90 113.55 116.35 3ita h SER 124 Ca 0.43 -0.69 0.05 0.00 -0.47 0.00 0.00 61.79 61.11 3ita h SER 124 Cb 0.74 -0.19 -0.05 0.00 -0.31 0.00 0.00 62.40 62.60 3ita h SER 124 CO -0.52 1.55 0.21 0.15 -0.87 0.00 0.00 176.83 177.35 3ita h PHE 125 N 0.10 0.39 -0.35 4.77 3.57 -0.75 -1.53 116.94 123.14 3ita h PHE 125 Ca -0.22 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.21 3ita h PHE 125 Cb 2.07 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 40.69 3ita h PHE 125 CO 0.09 0.17 -0.13 -0.84 -2.23 0.00 0.00 178.31 175.38 3ita h ILE 126 N 0.42 1.25 -0.89 1.41 -0.00 -0.63 0.44 117.51 119.51 3ita h ILE 126 Ca 0.22 -1.10 0.20 0.00 -0.00 0.00 0.00 64.86 64.18 3ita h ILE 126 Cb 0.17 1.12 -0.16 0.00 -0.00 0.00 0.00 36.82 37.94 3ita h ILE 126 CO -0.18 0.37 -0.11 1.23 -0.00 0.00 0.00 178.15 179.45 3ita h GLY 127 N 0.96 0.83 1.10 0.16 0.00 -0.88 0.13 103.07 105.37 3ita h GLY 127 Ca 0.10 0.22 -0.12 0.00 0.00 0.00 0.00 47.33 47.53 3ita h GLY 127 CO 0.03 -0.37 -0.16 1.41 0.00 0.00 0.00 176.54 177.45 3ita h LEU 128 N 0.02 1.02 0.03 3.11 4.07 0.02 -0.84 115.31 122.75 3ita h LEU 128 Ca 0.47 -0.37 0.01 0.00 0.08 0.00 0.00 57.88 58.06 3ita h LEU 128 Cb 0.81 -0.28 -0.01 0.00 1.08 0.00 0.00 40.66 42.26 3ita h LEU 128 CO -0.87 1.16 -0.07 0.24 -1.08 0.00 0.00 178.44 177.83 3ita h MET 129 N 0.87 -0.13 -0.01 1.13 2.86 0.05 0.28 114.93 119.98 3ita h MET 129 Ca 0.12 0.01 -0.08 0.00 -2.06 0.00 0.00 59.70 57.69 3ita h MET 129 Cb 0.74 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.41 3ita h MET 129 CO 0.06 -0.09 -0.39 -0.91 1.06 0.00 0.00 176.91 176.64 3ita h ASN 130 N -0.14 0.01 -0.30 1.22 -0.26 -0.74 -0.96 115.58 114.41 3ita h ASN 130 Ca 0.02 -0.01 0.00 0.00 -0.56 0.00 0.00 56.30 55.75 3ita h ASN 130 Cb 0.16 -0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.40 3ita h ASN 130 CO -0.05 0.40 0.19 1.23 -1.06 0.00 0.00 177.43 178.14 3ita h GLY 131 N 1.16 0.43 1.78 2.83 0.00 -0.59 -2.05 103.07 106.63 3ita h GLY 131 Ca -0.00 -0.17 -0.12 0.00 0.00 0.00 0.00 47.33 47.04 3ita h GLY 131 CO 0.05 0.17 -0.47 -0.97 0.00 0.00 0.00 176.54 175.32 3ita h TYR 132 N 0.40 0.29 -0.66 5.60 0.05 -0.55 -1.97 116.97 120.14 3ita h TYR 132 Ca 0.11 -0.09 0.04 0.00 0.05 0.00 0.00 58.73 58.84 3ita h TYR 132 Cb -0.01 -0.06 -0.05 0.00 1.01 0.00 0.00 36.73 37.62 3ita h TYR 132 CO -0.05 0.67 0.39 0.00 -1.05 0.00 0.00 178.16 178.12 3ita h ALA 133 N 1.32 0.87 -0.10 3.88 0.00 -0.83 0.83 119.26 125.22 3ita h ALA 133 Ca 0.01 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3ita h ALA 133 Cb 0.90 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 3ita h ALA 133 CO 0.07 0.11 0.01 -0.22 0.00 0.00 0.00 179.25 179.23 3ita h LYS 134 N 0.75 0.17 -0.26 0.00 3.11 -1.27 0.19 116.57 119.26 3ita h LYS 134 Ca 0.28 -0.05 0.01 0.00 -2.81 0.00 0.00 60.65 58.08 3ita h LYS 134 Cb 0.09 -0.02 -0.01 0.00 -1.00 0.00 0.00 32.23 31.29 3ita h LYS 134 CO -0.14 0.39 0.17 -0.22 -2.81 0.00 0.00 179.45 176.85 3ita h LYS 135 N -0.08 0.29 -0.00 1.90 3.64 -0.95 -1.94 116.57 119.43 3ita h LYS 135 Ca 0.03 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 3ita h LYS 135 Cb 0.31 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.06 3ita h LYS 135 CO 0.00 0.19 -0.65 1.28 -2.27 0.00 0.00 179.45 178.01 3ita n LEU 136 N -4.50 0.88 -0.02 5.20 4.77 0.25 -4.96 117.00 118.61 3ita n LEU 136 Ca 0.01 -0.28 0.00 0.00 -0.03 0.00 0.00 56.01 55.72 3ita n LEU 136 Cb 0.11 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 3ita n LEU 136 CO 0.35 0.20 0.00 0.61 -1.33 0.00 0.00 177.39 177.22 3ita n GLY 137 N 1.47 1.07 3.01 -0.72 0.00 -0.73 -4.99 105.19 104.31 3ita n GLY 137 Ca 0.06 -0.49 -0.43 0.00 0.00 0.00 0.00 46.02 45.16 3ita n GLY 137 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3ita n LEU 138 N -0.02 6.28 0.30 0.99 4.77 0.62 -4.81 117.00 125.12 3ita n LEU 138 Ca 0.00 -4.46 0.19 0.00 -0.03 0.00 0.00 56.01 51.71 3ita n LEU 138 Cb 0.28 -1.56 0.86 0.00 -2.33 0.00 0.00 43.42 40.67 3ita n LEU 138 CO 0.00 1.10 1.06 0.71 -1.33 0.00 0.00 177.39 178.93 3ita h THR 139 N 4.11 0.03 -0.28 -5.08 1.35 -1.93 -1.69 112.91 109.41 3ita h THR 139 Ca 0.42 -0.35 -0.02 0.00 -0.55 0.00 0.00 66.41 65.91 3ita h THR 139 Cb 0.70 1.34 -0.01 0.00 -1.73 0.00 0.00 68.15 68.45 3ita h THR 139 CO 1.59 0.01 0.00 0.59 -0.25 0.00 0.00 175.52 177.46 3ita n ASN 140 N -3.11 3.85 -4.27 5.36 3.02 -1.26 -4.99 115.26 113.85 3ita n ASN 140 Ca -0.01 -3.07 -0.33 0.00 -0.03 0.00 0.00 54.58 51.14 3ita n ASN 140 Cb 0.23 -0.56 -0.15 0.00 -0.61 0.00 0.00 39.78 38.69 3ita n ASN 140 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3ita s THR 141 N -2.86 2.66 -0.05 3.41 2.01 -0.64 -4.15 115.64 116.02 3ita s THR 141 Ca 0.43 -0.78 -0.02 0.00 0.31 0.00 0.00 61.69 61.63 3ita s THR 141 Cb 0.35 -2.12 0.04 0.00 0.01 0.00 0.00 72.50 70.78 3ita s THR 141 CO 0.08 0.52 0.09 -0.89 -0.69 0.00 0.00 174.62 173.74 3ita s THR 142 N 0.75 -0.10 0.03 -0.82 2.01 0.11 -4.91 115.64 112.70 3ita s THR 142 Ca -0.07 0.27 -0.01 0.00 0.31 0.00 0.00 61.69 62.20 3ita s THR 142 Cb -0.15 -0.18 -0.04 0.00 0.01 0.00 0.00 72.50 72.13 3ita s THR 142 CO 0.01 0.11 0.17 -0.36 -0.69 0.00 0.00 174.62 173.87 3ita s PHE 143 N 1.53 3.47 0.00 4.92 0.08 -1.26 -1.99 117.98 124.73 3ita s PHE 143 Ca -0.04 0.26 0.00 0.00 0.12 0.00 0.00 56.93 57.27 3ita s PHE 143 Cb -0.12 -1.76 0.00 0.00 -0.57 0.00 0.00 43.02 40.56 3ita s PHE 143 CO -0.04 0.60 0.06 0.94 -0.10 0.00 0.00 175.22 176.67 3ita n GLN 144 N 0.60 2.90 -4.18 0.44 -0.06 -1.26 -4.92 117.38 110.89 3ita n GLN 144 Ca -0.08 -0.06 -0.12 0.00 -2.00 0.00 0.00 57.00 54.74 3ita n GLN 144 Cb 0.52 -0.38 -0.10 0.00 -4.06 0.00 0.00 30.24 26.22 3ita n GLN 144 CO 0.00 0.00 0.00 0.95 -0.20 0.00 0.00 177.06 177.81 3ita s THR 145 N -0.43 0.01 -2.24 1.69 -4.23 -1.26 -5.04 115.64 104.13 3ita s THR 145 Ca 0.00 -1.96 0.19 0.00 -1.18 0.00 0.00 61.69 58.75 3ita s THR 145 Cb 0.00 -2.45 0.11 0.00 1.34 0.00 0.00 72.50 71.50 3ita s THR 145 CO 0.00 -0.03 1.07 1.33 -0.54 0.00 0.00 174.62 176.45 3ita n VAL 146 N -0.26 0.00 -0.00 2.29 0.24 -1.26 -4.43 118.33 114.91 3ita n VAL 146 Ca 0.01 -0.45 0.00 0.00 -2.04 0.00 0.00 64.34 61.87 3ita n VAL 146 Cb 0.66 1.36 -0.01 0.00 -1.47 0.00 0.00 33.84 34.38 3ita n VAL 146 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3ita n HIS 147 N 0.79 0.00 0.00 6.34 -0.00 -1.26 -4.75 115.22 116.34 3ita n HIS 147 Ca 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.82 3ita n HIS 147 Cb 0.46 -0.02 0.00 0.00 -0.00 0.00 0.00 29.99 30.43 3ita n HIS 147 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 3ita n GLY 148 N 2.46 0.98 2.50 -1.39 0.00 -1.26 -4.32 105.19 104.16 3ita n GLY 148 Ca -0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3ita n GLY 148 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3ita n LEU 149 N 0.00 -0.08 -4.40 0.99 7.99 -1.26 -3.50 117.00 116.73 3ita n LEU 149 Ca 0.00 0.83 -0.40 0.00 -0.01 0.00 0.00 56.01 56.43 3ita n LEU 149 Cb 0.00 -0.66 0.02 0.00 -0.11 0.00 0.00 43.42 42.67 3ita n LEU 149 CO 0.00 -1.44 -0.13 0.47 -1.51 0.00 0.00 177.39 174.78 3ita n ASP 150 N 1.11 -1.72 -3.55 -1.43 9.92 -1.26 -4.82 116.55 114.79 3ita n ASP 150 Ca 0.14 0.79 -0.09 0.00 -0.53 0.00 0.00 54.79 55.10 3ita n ASP 150 Cb 0.07 -1.06 -0.04 0.00 -0.64 0.00 0.00 41.12 39.46 3ita n ASP 150 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3ita s ALA 151 N -1.69 -1.91 -2.00 2.24 0.00 -1.26 -5.06 121.76 112.08 3ita s ALA 151 Ca 0.63 1.38 0.09 0.00 0.00 0.00 0.00 51.96 54.07 3ita s ALA 151 Cb -0.53 -0.24 0.53 0.00 0.00 0.00 0.00 23.12 22.89 3ita s ALA 151 CO 0.59 -0.48 0.97 -2.30 0.00 0.00 0.00 175.76 174.54 3ita n PRO 152 N 0.27 0.30 -0.14 0.00 -0.02 -1.26 -1.77 135.00 132.38 3ita n PRO 152 Ca -0.08 0.00 0.02 0.00 -2.02 0.00 0.00 63.50 61.41 3ita n PRO 152 Cb 0.59 -1.46 0.02 0.00 -0.02 0.00 0.00 33.50 32.64 3ita n PRO 152 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ita n GLY 153 N -0.37 0.45 3.13 -1.23 0.00 -1.26 -5.06 105.19 100.84 3ita n GLY 153 Ca 0.07 -0.18 -0.35 0.00 0.00 0.00 0.00 46.02 45.56 3ita n GLY 153 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3ita s GLN 154 N -0.67 2.08 0.11 1.61 0.74 -0.73 -4.75 119.66 118.06 3ita s GLN 154 Ca 0.05 -1.65 0.06 0.00 0.05 0.00 0.00 55.36 53.87 3ita s GLN 154 Cb 0.04 -3.43 -0.04 0.00 1.10 0.00 0.00 33.01 30.69 3ita s GLN 154 CO 0.00 -0.92 -0.15 -0.59 -0.55 0.00 0.00 175.29 173.08 3ita s PHE 155 N 1.15 1.45 0.00 1.67 -0.12 -0.84 -4.06 117.98 117.23 3ita s PHE 155 Ca 0.04 -0.51 0.00 0.00 -0.05 0.00 0.00 56.93 56.41 3ita s PHE 155 Cb -0.21 -0.77 0.00 0.00 -0.63 0.00 0.00 43.02 41.41 3ita s PHE 155 CO -0.04 0.15 0.00 0.45 -0.05 0.00 0.00 175.22 175.74 3ita n SER 156 N 0.74 0.40 -4.16 1.98 2.88 0.73 0.07 113.62 116.26 3ita n SER 156 Ca -0.17 -0.81 -0.10 0.00 -1.33 0.00 0.00 58.87 56.45 3ita n SER 156 Cb 0.56 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.92 3ita n SER 156 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 3ita s THR 157 N -1.58 0.18 0.23 2.46 -4.23 -1.26 -0.97 115.64 110.47 3ita s THR 157 Ca 0.00 -1.92 -0.08 0.00 -1.18 0.00 0.00 61.69 58.51 3ita s THR 157 Cb 0.00 -2.07 0.20 0.00 1.34 0.00 0.00 72.50 71.97 3ita s THR 157 CO 0.00 -0.46 1.88 0.00 -0.54 0.00 0.00 174.62 175.50 3ita h ALA 158 N 2.84 1.10 -0.53 3.99 0.00 -1.72 -0.42 119.26 124.52 3ita h ALA 158 Ca -0.35 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.49 3ita h ALA 158 Cb 1.20 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 3ita h ALA 158 CO 0.59 0.39 0.23 -0.09 0.00 0.00 0.00 179.25 180.38 3ita h ARG 159 N 1.07 0.77 -0.02 0.00 2.43 -1.39 -2.35 114.38 114.89 3ita h ARG 159 Ca 0.33 -0.13 -0.09 0.00 -0.81 0.00 0.00 59.98 59.28 3ita h ARG 159 Cb -0.02 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.39 3ita h ARG 159 CO -0.11 0.66 -0.41 -0.44 -1.51 0.00 0.00 179.97 178.17 3ita h ASP 160 N 0.71 0.04 0.64 -3.80 5.19 -1.61 -2.25 116.42 115.34 3ita h ASP 160 Ca 0.18 -0.02 -0.19 0.00 -0.62 0.00 0.00 57.03 56.38 3ita h ASP 160 Cb 0.16 -0.01 -0.01 0.00 0.18 0.00 0.00 39.33 39.65 3ita h ASP 160 CO -0.02 0.44 -0.87 0.24 -3.12 0.00 0.00 179.24 175.92 3ita h MET 161 N 0.03 0.15 0.00 3.56 2.86 -0.90 -1.46 114.93 119.16 3ita h MET 161 Ca 0.00 -0.16 -0.11 0.00 -2.06 0.00 0.00 59.70 57.37 3ita h MET 161 Cb 0.74 0.05 -0.02 0.00 0.06 0.00 0.00 31.60 32.43 3ita h MET 161 CO 0.05 0.92 -0.54 0.00 1.06 0.00 0.00 176.91 178.41 3ita h ALA 162 N 1.02 0.92 -0.01 6.32 0.00 -1.16 -1.22 119.26 125.14 3ita h ALA 162 Ca -0.04 -0.49 -0.24 0.00 0.00 0.00 0.00 54.91 54.15 3ita h ALA 162 Cb 1.50 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 19.22 3ita h ALA 162 CO 0.13 0.67 -0.93 -0.07 0.00 0.00 0.00 179.25 179.04 3ita h LEU 163 N 0.00 0.84 -0.86 0.00 4.07 -1.26 -1.91 115.31 116.18 3ita h LEU 163 Ca -0.01 -0.74 -0.03 0.00 0.08 0.00 0.00 57.88 57.19 3ita h LEU 163 Cb 1.08 -0.26 -0.04 0.00 1.08 0.00 0.00 40.66 42.52 3ita h LEU 163 CO 0.07 1.46 0.43 0.25 -1.08 0.00 0.00 178.44 179.57 3ita h LEU 164 N 0.30 1.12 -0.83 1.67 5.85 -1.19 -1.95 115.31 120.28 3ita h LEU 164 Ca -0.11 -0.13 -0.04 0.00 0.84 0.00 0.00 57.88 58.43 3ita h LEU 164 Cb 1.60 -0.29 -0.04 0.00 0.37 0.00 0.00 40.66 42.30 3ita h LEU 164 CO 0.18 0.94 0.32 1.23 -0.34 0.00 0.00 178.44 180.77 3ita h GLY 165 N 1.23 1.27 1.02 3.75 0.00 -1.18 -1.60 103.07 107.57 3ita h GLY 165 Ca 0.30 -0.69 -0.02 0.00 0.00 0.00 0.00 47.33 46.92 3ita h GLY 165 CO -0.04 0.65 0.42 1.70 0.00 0.00 0.00 176.54 179.27 3ita h LYS 166 N 1.16 1.16 -0.42 4.80 3.64 -0.99 -2.06 116.57 123.85 3ita h LYS 166 Ca 0.27 -0.15 -0.12 0.00 -1.27 0.00 0.00 60.65 59.37 3ita h LYS 166 Cb 0.21 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 31.80 3ita h LYS 166 CO -0.02 0.87 -0.23 0.00 -2.27 0.00 0.00 179.45 177.80 3ita h ALA 167 N 1.22 0.81 -0.43 5.00 0.00 -0.95 -1.17 119.26 123.73 3ita h ALA 167 Ca 0.28 -0.38 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 3ita h ALA 167 Cb 0.08 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3ita h ALA 167 CO -0.04 0.65 0.14 1.25 0.00 0.00 0.00 179.25 181.25 3ita h LEU 168 N 0.74 0.63 -0.69 0.00 5.85 -1.08 0.59 115.31 121.34 3ita h LEU 168 Ca 0.10 -0.20 -0.11 0.00 0.84 0.00 0.00 57.88 58.51 3ita h LEU 168 Cb 0.76 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.61 3ita h LEU 168 CO 0.06 0.67 -0.14 0.40 -0.34 0.00 0.00 178.44 179.09 3ita h ILE 169 N 0.56 1.26 0.07 4.05 2.04 -1.19 -2.54 117.51 121.77 3ita h ILE 169 Ca 0.14 -1.25 -0.15 0.00 1.00 0.00 0.00 64.86 64.60 3ita h ILE 169 Cb 0.26 1.06 0.00 0.00 -0.74 0.00 0.00 36.82 37.40 3ita h ILE 169 CO -0.00 0.43 -0.75 -0.74 0.00 0.00 0.00 178.15 177.08 3ita h HIS 170 N 0.77 0.28 0.22 1.37 2.76 -1.01 -3.35 115.15 116.19 3ita h HIS 170 Ca 0.12 -0.20 -0.35 0.00 -2.20 0.00 0.00 60.37 57.74 3ita h HIS 170 Cb 0.66 -0.01 0.02 0.00 1.55 0.00 0.00 27.41 29.63 3ita h HIS 170 CO 0.04 1.29 -1.65 -0.44 -1.30 0.00 0.00 177.93 175.87 3ita h ASP 171 N -0.64 0.72 -2.15 3.26 3.32 0.11 -3.39 116.42 117.66 3ita h ASP 171 Ca -0.16 -0.93 -0.57 0.00 0.02 0.00 0.00 57.03 55.39 3ita h ASP 171 Cb 1.42 -0.24 -0.41 0.00 0.22 0.00 0.00 39.33 40.33 3ita h ASP 171 CO 0.03 1.76 -0.81 1.33 -1.72 0.00 0.00 179.24 179.84 3ita n VAL 172 N -3.65 1.53 -0.07 -1.35 0.24 -0.96 -4.96 118.33 109.12 3ita n VAL 172 Ca -0.22 -4.97 0.14 0.00 -2.04 0.00 0.00 64.34 57.25 3ita n VAL 172 Cb 1.09 -1.59 0.54 0.00 -1.47 0.00 0.00 33.84 32.40 3ita n VAL 172 CO 0.00 0.00 0.00 1.55 -2.14 0.00 0.00 176.83 176.24 3ita h PRO 173 N 3.63 0.32 -0.10 7.34 0.13 -1.69 -0.04 132.00 141.58 3ita h PRO 173 Ca 0.14 -0.02 -0.11 0.00 -0.87 0.00 0.00 66.00 65.14 3ita h PRO 173 Cb 0.71 -0.07 -0.01 0.00 0.13 0.00 0.00 31.00 31.76 3ita h PRO 173 CO 0.70 0.21 -0.42 0.93 -0.23 0.00 0.00 178.00 179.20 3ita h GLU 174 N 0.33 0.24 -0.11 0.86 4.39 -1.92 0.44 114.58 118.80 3ita h GLU 174 Ca 0.28 -0.11 -0.20 0.00 0.34 0.00 0.00 59.36 59.67 3ita h GLU 174 Cb 0.65 -0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.31 3ita h GLU 174 CO -0.07 0.62 -0.71 1.49 -1.16 0.00 0.00 179.01 179.18 3ita h GLU 175 N 0.20 0.67 -0.96 2.33 4.57 -1.42 -3.08 114.58 116.89 3ita h GLU 175 Ca 0.02 -0.58 0.00 0.00 -1.18 0.00 0.00 59.36 57.62 3ita h GLU 175 Cb 0.82 0.13 -0.05 0.00 -0.16 0.00 0.00 28.75 29.50 3ita h GLU 175 CO 0.06 1.19 0.61 -0.92 -1.18 0.00 0.00 179.01 178.78 3ita h TYR 176 N 0.35 1.24 -0.17 0.92 3.20 -1.06 -2.68 116.97 118.76 3ita h TYR 176 Ca -0.06 0.01 0.05 0.00 3.14 0.00 0.00 58.73 61.88 3ita h TYR 176 Cb 1.35 -0.41 -0.01 0.00 1.54 0.00 0.00 36.73 39.20 3ita h TYR 176 CO 0.10 0.80 0.20 0.00 -1.64 0.00 0.00 178.16 177.62 3ita h ALA 177 N 1.36 1.75 0.00 1.82 0.00 -0.81 0.23 119.26 123.61 3ita h ALA 177 Ca 0.35 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.25 3ita h ALA 177 Cb -0.11 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.69 3ita h ALA 177 CO -0.07 -0.29 0.00 0.82 0.00 0.00 0.00 179.25 179.71 3ita h ILE 178 N 0.00 0.00 0.00 0.00 2.04 -1.49 -3.28 117.51 114.78 3ita h ILE 178 Ca 0.08 -0.45 0.00 0.00 1.00 0.00 0.00 64.86 65.49 3ita h ILE 178 Cb 0.48 1.35 0.00 0.00 -0.74 0.00 0.00 36.82 37.91 3ita h ILE 178 CO -0.00 0.00 0.00 0.45 0.00 0.00 0.00 178.15 178.60 3ita h HIS 179 N 0.00 0.00 -0.01 1.37 3.86 -0.66 -2.46 115.15 117.24 3ita h HIS 179 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3ita h HIS 179 Cb 0.53 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.00 3ita h HIS 179 CO 0.00 0.00 -0.10 0.36 0.86 0.00 0.00 177.93 179.05 3ita n LYS 180 N -2.75 1.39 -2.39 2.45 2.85 -1.18 -4.59 118.16 113.93 3ita n LYS 180 Ca 0.04 -0.84 -0.42 0.00 -1.05 0.00 0.00 58.31 56.04 3ita n LYS 180 Cb 0.43 -1.48 -0.03 0.00 -0.65 0.00 0.00 35.03 33.29 3ita n LYS 180 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 3ita s GLU 181 N -2.19 4.42 0.07 -1.58 2.02 -0.93 -4.91 118.70 115.61 3ita s GLU 181 Ca 0.32 1.81 0.10 0.00 0.02 0.00 0.00 54.97 57.22 3ita s GLU 181 Cb 0.20 -3.33 -0.19 0.00 0.10 0.00 0.00 34.13 30.91 3ita s GLU 181 CO 0.40 -0.27 1.02 0.87 0.02 0.00 0.00 175.26 177.31 3ita h LYS 182 N 6.73 0.00 -3.25 1.61 1.57 -1.91 -3.39 116.57 117.93 3ita h LYS 182 Ca -0.42 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.19 3ita h LYS 182 Cb 1.21 0.00 -0.26 0.00 0.08 0.00 0.00 32.23 33.27 3ita h LYS 182 CO 0.81 0.72 -0.48 -1.21 -0.57 0.00 0.00 179.45 178.72 3ita s GLU 183 N -2.70 0.25 -0.37 3.15 8.01 -1.25 0.22 118.70 126.01 3ita s GLU 183 Ca -0.01 0.25 0.03 0.00 0.01 0.00 0.00 54.97 55.25 3ita s GLU 183 Cb 0.09 0.12 0.11 0.00 -4.31 0.00 0.00 34.13 30.14 3ita s GLU 183 CO 0.82 -0.03 0.10 0.12 0.01 0.00 0.00 175.26 176.27 3ita s PHE 184 N 0.03 3.40 -0.16 1.61 5.99 0.90 -4.82 117.98 124.94 3ita s PHE 184 Ca -0.01 -2.90 -0.29 0.00 0.00 0.00 0.00 56.93 53.74 3ita s PHE 184 Cb -0.02 -2.76 -0.05 0.00 0.00 0.00 0.00 43.02 40.19 3ita s PHE 184 CO 0.00 -0.90 1.96 0.99 -0.00 0.00 0.00 175.22 177.27 3ita s THR 185 N 0.74 3.23 -0.22 0.12 2.01 -1.26 -3.44 115.64 116.81 3ita s THR 185 Ca 0.12 0.25 0.01 0.00 0.31 0.00 0.00 61.69 62.39 3ita s THR 185 Cb -0.20 -3.25 0.05 0.00 0.01 0.00 0.00 72.50 69.11 3ita s THR 185 CO -0.08 -0.11 -0.10 0.12 -0.69 0.00 0.00 174.62 173.76 3ita s PHE 186 N 6.36 2.68 0.00 4.92 5.36 -1.26 -5.00 117.98 131.04 3ita s PHE 186 Ca 0.88 -1.85 0.00 0.00 -0.96 0.00 0.00 56.93 55.00 3ita s PHE 186 Cb -0.33 -1.73 0.00 0.00 -0.34 0.00 0.00 43.02 40.63 3ita s PHE 186 CO 0.35 -0.79 0.00 0.09 -1.46 0.00 0.00 175.22 173.41 3ita n ASN 187 N 4.60 0.00 0.00 6.13 3.02 -1.26 -5.13 115.26 122.63 3ita n ASN 187 Ca -0.14 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.41 3ita n ASN 187 Cb 0.45 -0.22 0.00 0.00 -0.61 0.00 0.00 39.78 39.39 3ita n ASN 187 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3ita n GLN 191 N -0.74 0.00 -3.45 3.52 3.00 -1.22 -5.28 117.38 113.21 3ita n GLN 191 Ca 0.00 0.00 -0.37 0.00 -0.01 0.00 0.00 57.00 56.62 3ita n GLN 191 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 30.24 30.18 3ita n GLN 191 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.06 175.81 3ita s PRO 192 N -1.41 3.96 0.26 -1.09 0.04 -1.26 0.31 135.00 135.81 3ita s PRO 192 Ca 0.00 0.46 -0.31 0.00 0.04 0.00 0.00 61.00 61.20 3ita s PRO 192 Cb 0.00 -3.17 -0.12 0.00 0.04 0.00 0.00 34.50 31.26 3ita s PRO 192 CO 0.00 0.64 1.65 1.21 0.04 0.00 0.00 177.00 180.55 3ita s ASN 193 N -1.23 6.35 0.00 6.66 3.84 0.59 -4.80 114.94 126.36 3ita s ASN 193 Ca 0.27 2.94 0.26 0.00 0.21 0.00 0.00 52.86 56.54 3ita s ASN 193 Cb -0.17 -2.62 1.41 0.00 -0.55 0.00 0.00 41.25 39.32 3ita s ASN 193 CO 0.16 -0.95 1.87 0.54 -2.79 0.00 0.00 177.10 175.93 3ita n ARG 194 N 2.84 0.59 -2.82 0.43 1.74 -1.24 -4.53 116.66 113.66 3ita n ARG 194 Ca 0.11 0.03 -0.43 0.00 -0.77 0.00 0.00 57.85 56.79 3ita n ARG 194 Cb 0.36 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.27 3ita n ARG 194 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 3ita s ASN 195 N -2.28 6.50 0.51 0.55 2.47 -1.26 -4.87 114.94 116.56 3ita s ASN 195 Ca 0.31 -1.68 0.22 0.00 0.42 0.00 0.00 52.86 52.14 3ita s ASN 195 Cb 0.17 -2.44 1.37 0.00 -1.45 0.00 0.00 41.25 38.90 3ita s ASN 195 CO 0.34 -1.25 2.10 0.03 -3.72 0.00 0.00 177.10 174.60 3ita h ARG 196 N 9.21 0.00 0.00 0.43 3.08 -2.02 -1.66 114.38 123.43 3ita h ARG 196 Ca 0.07 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.12 3ita h ARG 196 Cb 1.03 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.08 3ita h ARG 196 CO 1.19 0.10 -0.00 -0.07 -1.07 0.00 0.00 179.97 180.13 3ita h LEU 197 N 0.00 0.00 -1.99 3.04 3.38 -1.96 -1.08 115.31 116.70 3ita h LEU 197 Ca -0.00 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.04 3ita h LEU 197 Cb 0.22 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 3ita h LEU 197 CO 0.01 0.00 0.39 -0.07 0.09 0.00 0.00 178.44 178.87 3ita h LEU 198 N 0.00 0.00 -0.99 1.67 3.38 -1.55 -0.40 115.31 117.41 3ita h LEU 198 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3ita h LEU 198 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3ita h LEU 198 CO 0.00 0.00 -0.25 0.79 0.09 0.00 0.00 178.44 179.07 3ita n TRP 199 N -3.43 0.00 -1.63 1.13 8.01 -0.41 -4.79 117.44 116.33 3ita n TRP 199 Ca 0.04 0.00 -0.47 0.00 -1.31 0.00 0.00 57.50 55.75 3ita n TRP 199 Cb 0.52 -0.04 -0.04 0.00 -2.01 0.00 0.00 31.31 29.74 3ita n TRP 199 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.69 177.13 3ita n SER 200 N 0.04 2.25 0.11 -0.99 2.88 -0.16 -4.89 113.62 112.87 3ita n SER 200 Ca 0.13 1.12 0.02 0.00 -1.33 0.00 0.00 58.87 58.81 3ita n SER 200 Cb 0.43 -1.33 0.00 0.00 -0.75 0.00 0.00 64.21 62.57 3ita n SER 200 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 3ita h SER 201 N 4.45 0.00 1.78 -3.46 0.02 -1.93 -3.37 113.55 111.04 3ita h SER 201 Ca -0.45 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.48 3ita h SER 201 Cb 1.30 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.84 3ita h SER 201 CO 0.78 0.49 -0.22 0.78 -1.14 0.00 0.00 176.83 177.52 3ita h ASN 202 N 0.00 0.00 -4.96 3.07 2.35 -1.98 -3.47 115.58 110.60 3ita h ASN 202 Ca -0.04 0.00 -0.18 0.00 -0.55 0.00 0.00 56.30 55.52 3ita h ASN 202 Cb 1.41 0.00 -0.20 0.00 0.05 0.00 0.00 38.32 39.58 3ita h ASN 202 CO 0.06 0.07 -0.70 -0.76 -1.65 0.00 0.00 177.43 174.44 3ita s LEU 203 N -6.11 2.28 -1.01 1.61 1.43 -1.26 -5.07 118.68 110.55 3ita s LEU 203 Ca 0.05 -0.58 -0.19 0.00 -1.03 0.00 0.00 54.13 52.38 3ita s LEU 203 Cb 0.06 0.06 0.11 0.00 0.03 0.00 0.00 46.19 46.45 3ita s LEU 203 CO 0.70 -0.32 1.27 0.21 0.23 0.00 0.00 176.35 178.44 3ita s ASN 204 N -1.69 6.67 -0.14 2.29 3.04 -1.26 -4.64 114.94 119.20 3ita s ASN 204 Ca -0.11 -2.05 -0.12 0.00 0.04 0.00 0.00 52.86 50.62 3ita s ASN 204 Cb -0.07 -2.45 -0.05 0.00 -1.54 0.00 0.00 41.25 37.14 3ita s ASN 204 CO -0.02 -1.13 0.24 -0.69 -3.04 0.00 0.00 177.10 172.46 3ita s VAL 205 N 3.15 5.34 -0.03 -5.21 1.01 -1.26 -1.45 120.40 121.95 3ita s VAL 205 Ca 0.38 0.43 0.04 0.00 0.00 0.00 0.00 61.98 62.83 3ita s VAL 205 Cb -0.03 -3.56 0.06 0.00 0.00 0.00 0.00 36.38 32.86 3ita s VAL 205 CO -0.07 0.47 0.89 -0.90 0.00 0.00 0.00 175.10 175.48 3ita n ASP 206 N 3.05 1.01 -3.65 3.32 3.85 -0.51 -4.62 116.55 118.99 3ita n ASP 206 Ca -0.15 -1.94 0.01 0.00 -0.71 0.00 0.00 54.79 51.99 3ita n ASP 206 Cb 0.53 -0.14 0.01 0.00 -1.35 0.00 0.00 41.12 40.16 3ita n ASP 206 CO 0.00 0.00 0.00 -0.83 -1.01 0.00 0.00 177.20 175.36 3ita s GLY 207 N -1.11 -0.18 0.21 6.12 0.00 -1.21 -3.13 107.32 108.02 3ita s GLY 207 Ca 0.07 0.17 0.00 0.00 0.00 0.00 0.00 44.72 44.96 3ita s GLY 207 CO 0.01 2.70 0.00 -0.13 0.00 0.00 0.00 173.10 175.68 3ita n MET 208 N -0.69 0.00 -3.65 2.90 1.56 0.95 -1.63 117.12 116.56 3ita n MET 208 Ca -0.03 0.00 -0.13 0.00 -0.27 0.00 0.00 57.70 57.28 3ita n MET 208 Cb 0.60 -0.17 -0.08 0.00 2.15 0.00 0.00 33.22 35.73 3ita n MET 208 CO 0.00 0.00 0.00 0.21 -0.73 0.00 0.00 175.97 175.45 3ita s LYS 209 N -2.00 0.74 0.15 2.12 2.47 -0.67 -4.97 119.74 117.58 3ita s LYS 209 Ca 0.00 0.95 0.04 0.00 -1.56 0.00 0.00 55.97 55.40 3ita s LYS 209 Cb 0.00 0.32 -0.04 0.00 -1.46 0.00 0.00 37.83 36.66 3ita s LYS 209 CO 0.00 -0.10 0.15 0.95 0.16 0.00 0.00 175.35 176.50 3ita s THR 210 N 0.57 4.59 0.02 3.43 -4.23 -1.26 -1.06 115.64 117.70 3ita s THR 210 Ca -0.02 -0.99 -0.17 0.00 -1.18 0.00 0.00 61.69 59.34 3ita s THR 210 Cb -0.05 -3.33 0.03 0.00 1.34 0.00 0.00 72.50 70.49 3ita s THR 210 CO -0.03 -0.07 0.36 -0.83 -0.54 0.00 0.00 174.62 173.52 3ita s GLY 211 N -3.02 -0.21 -0.18 3.99 0.00 -0.46 -4.34 107.32 103.10 3ita s GLY 211 Ca 0.31 0.27 0.00 0.00 0.00 0.00 0.00 44.72 45.31 3ita s GLY 211 CO 0.24 0.03 -0.09 -1.59 0.00 0.00 0.00 173.10 171.69 3ita s THR 212 N -2.12 1.42 -0.02 0.90 2.01 -1.26 0.68 115.64 117.24 3ita s THR 212 Ca -0.08 -0.80 -0.01 0.00 0.31 0.00 0.00 61.69 61.11 3ita s THR 212 Cb -0.02 -1.51 -0.00 0.00 0.01 0.00 0.00 72.50 70.98 3ita s THR 212 CO -0.00 0.20 -0.02 0.71 -0.69 0.00 0.00 174.62 174.82 3ita h THR 213 N 6.34 0.00 0.00 -0.82 1.35 -1.88 -3.43 112.91 114.47 3ita h THR 213 Ca -0.28 -0.15 0.00 0.00 -0.55 0.00 0.00 66.41 65.43 3ita h THR 213 Cb 1.11 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.53 3ita h THR 213 CO 0.45 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.33 3ita n GLY 217 N 1.82 0.00 3.57 5.82 0.00 -1.26 -5.11 105.19 110.02 3ita n GLY 217 Ca -0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 3ita n GLY 217 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3ita s TYR 218 N 0.00 2.71 0.06 1.61 1.51 0.30 -4.74 117.35 118.79 3ita s TYR 218 Ca 0.00 -0.17 0.04 0.00 -1.01 0.00 0.00 57.07 55.93 3ita s TYR 218 Cb 0.00 -1.41 -0.03 0.00 -0.11 0.00 0.00 41.96 40.42 3ita s TYR 218 CO 0.00 0.44 -0.12 -0.80 -1.11 0.00 0.00 175.55 173.96 3ita s ASN 219 N -2.30 1.40 -0.19 2.29 0.01 0.21 0.47 114.94 116.84 3ita s ASN 219 Ca 0.22 -0.56 -0.11 0.00 -0.71 0.00 0.00 52.86 51.70 3ita s ASN 219 Cb -0.11 -0.03 0.06 0.00 0.41 0.00 0.00 41.25 41.58 3ita s ASN 219 CO 0.14 -0.09 0.46 -0.22 -1.51 0.00 0.00 177.10 175.87 3ita s LEU 220 N -1.55 -0.20 -0.25 0.60 2.96 0.92 -1.36 118.68 119.80 3ita s LEU 220 Ca -0.04 0.99 -0.08 0.00 -0.22 0.00 0.00 54.13 54.79 3ita s LEU 220 Cb -0.09 1.53 -0.03 0.00 0.50 0.00 0.00 46.19 48.09 3ita s LEU 220 CO 0.02 -0.20 0.09 -0.69 -1.32 0.00 0.00 176.35 174.25 3ita s VAL 221 N 1.35 4.59 0.18 1.68 1.01 -0.23 -0.72 120.40 128.27 3ita s VAL 221 Ca -0.09 -0.08 0.07 0.00 0.00 0.00 0.00 61.98 61.88 3ita s VAL 221 Cb -0.07 -3.15 -0.05 0.00 0.00 0.00 0.00 36.38 33.11 3ita s VAL 221 CO -0.13 0.34 -0.14 0.00 0.00 0.00 0.00 175.10 175.17 3ita s ALA 222 N 1.47 1.87 -0.05 5.51 0.00 -0.34 -0.03 121.76 130.19 3ita s ALA 222 Ca 0.06 -1.58 -0.10 0.00 0.00 0.00 0.00 51.96 50.33 3ita s ALA 222 Cb -0.15 -0.07 0.02 0.00 0.00 0.00 0.00 23.12 22.92 3ita s ALA 222 CO 0.05 0.05 0.25 0.45 0.00 0.00 0.00 175.76 176.56 3ita s SER 223 N -3.16 -0.18 0.07 0.00 0.15 -0.64 -0.92 113.70 109.01 3ita s SER 223 Ca 0.20 0.23 -0.04 0.00 0.70 0.00 0.00 55.95 57.03 3ita s SER 223 Cb -0.01 0.39 -0.02 0.00 -1.71 0.00 0.00 66.02 64.67 3ita s SER 223 CO 0.05 -0.26 0.07 0.00 1.20 0.00 0.00 173.24 174.30 3ita s ALA 224 N -0.65 0.18 0.10 5.45 0.00 -0.66 -1.42 121.76 124.75 3ita s ALA 224 Ca -0.07 -0.94 0.07 0.00 0.00 0.00 0.00 51.96 51.01 3ita s ALA 224 Cb -0.04 0.37 -0.03 0.00 0.00 0.00 0.00 23.12 23.41 3ita s ALA 224 CO 0.02 -0.43 -0.18 0.95 0.00 0.00 0.00 175.76 176.12 3ita s THR 225 N -3.89 1.50 -0.11 0.00 -4.23 -0.53 -1.10 115.64 107.27 3ita s THR 225 Ca 0.06 -1.54 -0.05 0.00 -1.18 0.00 0.00 61.69 58.98 3ita s THR 225 Cb 0.07 -1.44 0.05 0.00 1.34 0.00 0.00 72.50 72.52 3ita s THR 225 CO -0.10 -0.18 0.25 -1.58 -0.54 0.00 0.00 174.62 172.46 3ita s GLN 226 N -2.05 0.19 0.00 3.99 0.74 0.01 -4.16 119.66 118.37 3ita s GLN 226 Ca 0.05 0.60 0.00 0.00 0.05 0.00 0.00 55.36 56.06 3ita s GLN 226 Cb -0.09 -0.10 0.00 0.00 1.10 0.00 0.00 33.01 33.92 3ita s GLN 226 CO 0.04 -0.20 0.00 0.41 -0.55 0.00 0.00 175.29 174.99 3ita n GLY 227 N 4.58 1.95 1.18 2.59 0.00 -1.26 -0.29 105.19 113.93 3ita n GLY 227 Ca -0.19 0.46 0.10 0.00 0.00 0.00 0.00 46.02 46.38 3ita n GLY 227 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3ita n ASP 228 N 2.94 3.76 -4.88 1.61 5.68 -1.26 -4.93 116.55 119.47 3ita n ASP 228 Ca 0.00 -2.06 -0.36 0.00 -0.50 0.00 0.00 54.79 51.87 3ita n ASP 228 Cb 0.00 -0.43 -0.06 0.00 -1.14 0.00 0.00 41.12 39.49 3ita n ASP 228 CO 0.00 0.00 0.00 -0.32 -1.33 0.00 0.00 177.20 175.55 3ita s MET 229 N -1.11 3.56 -0.04 0.11 1.75 0.60 -5.04 119.30 119.13 3ita s MET 229 Ca 0.42 -0.04 0.02 0.00 -1.25 0.00 0.00 55.69 54.84 3ita s MET 229 Cb 0.23 -3.15 0.01 0.00 2.84 0.00 0.00 34.83 34.76 3ita s MET 229 CO 0.27 0.72 -0.07 0.50 -0.65 0.00 0.00 175.02 175.79 3ita s ARG 230 N -1.34 0.96 0.11 4.11 3.52 -1.26 -0.81 118.95 124.23 3ita s ARG 230 Ca 0.21 -0.20 0.08 0.00 -0.13 0.00 0.00 55.73 55.69 3ita s ARG 230 Cb -0.13 -0.90 -0.04 0.00 -1.56 0.00 0.00 34.95 32.32 3ita s ARG 230 CO 0.11 -0.01 -0.14 -0.51 -0.81 0.00 0.00 175.30 173.94 3ita s LEU 231 N 0.64 2.86 -0.10 -0.88 1.43 -0.26 -1.02 118.68 121.34 3ita s LEU 231 Ca -0.10 -0.48 0.03 0.00 -1.03 0.00 0.00 54.13 52.55 3ita s LEU 231 Cb -0.13 -1.68 0.01 0.00 0.03 0.00 0.00 46.19 44.42 3ita s LEU 231 CO 0.01 0.18 -0.20 -0.63 0.23 0.00 0.00 176.35 175.93 3ita s ILE 232 N -1.18 1.83 0.03 -0.59 1.01 0.43 -1.65 121.20 121.09 3ita s ILE 232 Ca 0.20 -0.87 0.08 0.00 0.00 0.00 0.00 60.65 60.05 3ita s ILE 232 Cb -0.11 -1.61 -0.03 0.00 0.01 0.00 0.00 42.46 40.72 3ita s ILE 232 CO 0.12 0.51 -0.23 -0.94 0.00 0.00 0.00 174.94 174.40 3ita s SER 233 N 0.59 3.41 -0.10 3.58 1.04 -0.09 -0.29 113.70 121.83 3ita s SER 233 Ca -0.14 -0.50 0.01 0.00 0.48 0.00 0.00 55.95 55.80 3ita s SER 233 Cb -0.17 -0.43 0.02 0.00 0.10 0.00 0.00 66.02 65.54 3ita s SER 233 CO 0.04 0.27 -0.11 -0.69 0.98 0.00 0.00 173.24 173.73 3ita s VAL 234 N -0.82 1.19 -0.17 5.02 1.01 0.26 -1.20 120.40 125.69 3ita s VAL 234 Ca 0.12 -0.44 0.01 0.00 0.00 0.00 0.00 61.98 61.68 3ita s VAL 234 Cb -0.10 -1.14 0.02 0.00 0.00 0.00 0.00 36.38 35.16 3ita s VAL 234 CO 0.03 0.38 -0.19 -0.69 0.00 0.00 0.00 175.10 174.63 3ita s VAL 235 N 1.24 1.93 -0.15 2.92 1.01 0.10 -0.90 120.40 126.56 3ita s VAL 235 Ca -0.03 -0.86 -0.03 0.00 0.00 0.00 0.00 61.98 61.06 3ita s VAL 235 Cb -0.14 -1.76 -0.02 0.00 0.00 0.00 0.00 36.38 34.46 3ita s VAL 235 CO -0.04 0.52 -0.06 -0.76 0.00 0.00 0.00 175.10 174.76 3ita s LEU 236 N 1.29 3.12 0.00 3.92 1.02 0.74 -0.05 118.68 128.71 3ita s LEU 236 Ca 0.04 -0.18 0.00 0.00 0.02 0.00 0.00 54.13 54.01 3ita s LEU 236 Cb -0.13 -1.74 0.00 0.00 0.02 0.00 0.00 46.19 44.34 3ita s LEU 236 CO -0.11 0.17 0.00 0.61 0.02 0.00 0.00 176.35 177.03 3ita n GLY 237 N 3.55 0.59 3.43 -3.19 0.00 0.18 -1.45 105.19 108.29 3ita n GLY 237 Ca -0.18 -0.80 -0.34 0.00 0.00 0.00 0.00 46.02 44.71 3ita n GLY 237 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ita n ALA 238 N -0.13 -2.32 0.00 4.61 0.00 -0.04 -3.44 120.51 119.19 3ita n ALA 238 Ca 0.00 -0.50 -0.02 0.00 0.00 0.00 0.00 53.44 52.92 3ita n ALA 238 Cb 0.13 -1.81 -0.11 0.00 0.00 0.00 0.00 19.45 17.67 3ita n ALA 238 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3ita n LYS 239 N -1.37 0.64 -4.23 0.00 4.01 -1.26 0.11 118.16 116.05 3ita n LYS 239 Ca 0.08 0.17 -0.15 0.00 -0.51 0.00 0.00 58.31 57.89 3ita n LYS 239 Cb 0.53 -1.74 -0.10 0.00 -0.51 0.00 0.00 35.03 33.20 3ita n LYS 239 CO 0.00 0.00 0.00 0.95 -1.11 0.00 0.00 177.40 177.24 3ita s THR 240 N -2.86 1.16 0.16 -0.18 -4.23 -1.26 -4.81 115.64 103.62 3ita s THR 240 Ca -0.05 -1.89 -0.21 0.00 -1.18 0.00 0.00 61.69 58.37 3ita s THR 240 Cb 0.09 -1.66 0.06 0.00 1.34 0.00 0.00 72.50 72.33 3ita s THR 240 CO 0.82 -0.63 1.29 -0.67 -0.54 0.00 0.00 174.62 174.90 3ita n ASP 241 N 0.14 -0.73 -0.05 3.99 2.03 -1.26 -1.59 116.55 119.09 3ita n ASP 241 Ca -0.13 1.47 -0.01 0.00 0.52 0.00 0.00 54.79 56.65 3ita n ASP 241 Cb 0.59 -0.26 0.26 0.00 -0.72 0.00 0.00 41.12 40.99 3ita n ASP 241 CO 0.00 0.00 0.00 -0.09 -1.92 0.00 0.00 177.20 175.19 3ita h ARG 242 N 0.00 0.63 0.04 -0.67 2.43 -2.00 -2.98 114.38 111.83 3ita h ARG 242 Ca 0.21 -0.13 -0.12 0.00 -0.81 0.00 0.00 59.98 59.13 3ita h ARG 242 Cb 0.42 -0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 29.87 3ita h ARG 242 CO -0.81 0.62 -0.60 0.82 -1.51 0.00 0.00 179.97 178.49 3ita h ILE 243 N 0.61 1.46 -0.38 1.20 2.04 -1.83 -0.13 117.51 120.47 3ita h ILE 243 Ca 0.13 -2.36 0.05 0.00 1.00 0.00 0.00 64.86 63.69 3ita h ILE 243 Cb 0.31 3.03 -0.05 0.00 -0.74 0.00 0.00 36.82 39.36 3ita h ILE 243 CO 0.01 0.58 -0.18 -1.14 0.00 0.00 0.00 178.15 177.41 3ita n ARG 244 N -4.39 -0.13 -0.01 2.37 0.00 -0.62 0.19 116.66 114.07 3ita n ARG 244 Ca -0.17 0.59 -0.10 0.00 -0.00 0.00 0.00 57.85 58.16 3ita n ARG 244 Cb 0.64 -0.87 0.04 0.00 0.00 0.00 0.00 32.46 32.28 3ita n ARG 244 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.63 178.37 3ita h PHE 245 N 0.00 0.77 -0.27 -0.14 0.04 -1.41 -3.16 116.94 112.76 3ita h PHE 245 Ca 0.10 -0.27 -0.05 0.00 2.80 0.00 0.00 57.97 60.55 3ita h PHE 245 Cb 0.20 -0.15 -0.01 0.00 2.20 0.00 0.00 35.95 38.19 3ita h PHE 245 CO -0.36 1.02 -0.02 -0.97 -0.60 0.00 0.00 178.31 177.37 3ita h ASN 246 N 0.47 0.49 0.10 2.17 -1.24 0.17 -1.42 115.58 116.32 3ita h ASN 246 Ca 0.01 -0.33 -0.09 0.00 0.71 0.00 0.00 56.30 56.60 3ita h ASN 246 Cb 1.09 -0.13 -0.01 0.00 0.73 0.00 0.00 38.32 40.00 3ita h ASN 246 CO 0.11 0.70 -0.30 -0.33 -1.29 0.00 0.00 177.43 176.32 3ita h GLU 247 N 0.26 0.31 -0.19 6.67 4.39 -0.52 -0.82 114.58 124.68 3ita h GLU 247 Ca 0.07 -0.12 -0.04 0.00 0.34 0.00 0.00 59.36 59.61 3ita h GLU 247 Cb 0.46 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.09 3ita h GLU 247 CO 0.02 0.58 -0.05 0.77 -1.16 0.00 0.00 179.01 179.18 3ita h SER 248 N 0.27 0.38 -0.48 1.42 0.02 -1.48 -0.46 113.55 113.22 3ita h SER 248 Ca 0.04 -0.37 -0.02 0.00 -0.84 0.00 0.00 61.79 60.60 3ita h SER 248 Cb 0.67 -0.10 -0.03 0.00 0.14 0.00 0.00 62.40 63.08 3ita h SER 248 CO 0.05 0.66 0.24 -0.08 -1.14 0.00 0.00 176.83 176.56 3ita h GLU 249 N 0.09 0.73 -0.29 3.45 4.81 -1.15 -1.91 114.58 120.32 3ita h GLU 249 Ca 0.05 -0.09 -0.00 0.00 -0.13 0.00 0.00 59.36 59.18 3ita h GLU 249 Cb 0.49 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.72 3ita h GLU 249 CO 0.02 0.58 0.16 -0.22 -0.73 0.00 0.00 179.01 178.82 3ita h LYS 250 N 0.73 0.40 -0.09 1.92 3.64 -0.57 -1.09 116.57 121.52 3ita h LYS 250 Ca 0.18 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.51 3ita h LYS 250 Cb 0.10 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 31.83 3ita h LYS 250 CO -0.02 0.34 0.01 -0.07 -2.27 0.00 0.00 179.45 177.44 3ita h LEU 251 N 0.35 0.14 -0.86 5.20 3.38 -0.78 -2.25 115.31 120.49 3ita h LEU 251 Ca 0.10 -0.26 0.04 0.00 0.09 0.00 0.00 57.88 57.85 3ita h LEU 251 Cb 0.05 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 40.71 3ita h LEU 251 CO -0.02 0.37 0.54 -0.07 0.09 0.00 0.00 178.44 179.36 3ita h LEU 252 N -0.09 0.89 -0.45 1.67 3.38 -1.30 0.50 115.31 119.91 3ita h LEU 252 Ca 0.03 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.93 3ita h LEU 252 Cb 0.29 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 3ita h LEU 252 CO 0.00 0.59 0.00 0.74 0.09 0.00 0.00 178.44 179.87 3ita h THR 253 N 1.03 1.26 -0.36 0.22 2.02 -1.08 -2.46 112.91 113.54 3ita h THR 253 Ca 0.35 -1.04 -0.14 0.00 0.77 0.00 0.00 66.41 66.36 3ita h THR 253 Cb 0.07 1.04 -0.01 0.00 -1.74 0.00 0.00 68.15 67.51 3ita h THR 253 CO -0.14 0.36 -0.32 -0.25 0.37 0.00 0.00 175.52 175.54 3ita h TRP 254 N 0.64 1.01 -0.25 3.16 7.01 -1.03 -2.17 115.95 124.31 3ita h TRP 254 Ca 0.13 -0.29 0.06 0.00 2.11 0.00 0.00 58.89 60.89 3ita h TRP 254 Cb 0.49 -0.22 -0.08 0.00 -2.10 0.00 0.00 29.16 27.26 3ita h TRP 254 CO 0.04 1.09 -0.34 0.78 -2.79 0.00 0.00 178.44 177.21 3ita h GLY 255 N 0.65 -0.41 2.00 2.65 0.00 -0.82 -1.27 103.07 105.87 3ita h GLY 255 Ca 0.06 0.43 -0.04 0.00 0.00 0.00 0.00 47.33 47.78 3ita h GLY 255 CO 0.08 -0.21 -0.18 0.74 0.00 0.00 0.00 176.54 176.97 3ita h PHE 256 N -0.35 0.00 0.21 5.60 0.04 -1.35 -1.42 116.94 119.66 3ita h PHE 256 Ca 0.13 0.00 -0.31 0.00 2.80 0.00 0.00 57.97 60.59 3ita h PHE 256 Cb 0.55 0.00 0.03 0.00 2.20 0.00 0.00 35.95 38.73 3ita h PHE 256 CO -0.48 0.18 -1.43 -0.09 -0.60 0.00 0.00 178.31 175.89 3ita h ARG 257 N 0.00 0.44 -0.01 1.51 2.43 -0.73 -3.38 114.38 114.64 3ita h ARG 257 Ca -0.00 -0.75 0.00 0.00 -0.81 0.00 0.00 59.98 58.42 3ita h ARG 257 Cb 0.59 0.28 0.00 0.00 -0.42 0.00 0.00 29.97 30.41 3ita h ARG 257 CO 0.02 1.36 -0.43 1.19 -1.51 0.00 0.00 179.97 180.61 3ita n PHE 258 N -3.78 0.00 -4.25 2.20 3.72 -0.54 -4.80 117.46 110.01 3ita n PHE 258 Ca -0.19 0.00 -0.17 0.00 -0.05 0.00 0.00 57.45 57.04 3ita n PHE 258 Cb 1.03 0.00 -0.11 0.00 -0.94 0.00 0.00 39.48 39.46 3ita n PHE 258 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 176.76 176.65 3ita s PHE 259 N -2.01 1.36 0.04 1.38 0.40 -0.54 -0.20 117.98 118.41 3ita s PHE 259 Ca 0.11 -0.61 -0.07 0.00 -0.60 0.00 0.00 56.93 55.75 3ita s PHE 259 Cb 0.12 -0.70 -0.00 0.00 0.51 0.00 0.00 43.02 42.95 3ita s PHE 259 CO 0.45 0.13 0.14 -1.83 0.70 0.00 0.00 175.22 174.82 3ita s GLU 260 N -3.03 0.62 -0.15 0.44 -1.05 0.00 -4.59 118.70 110.95 3ita s GLU 260 Ca 0.12 -0.68 -0.03 0.00 -0.15 0.00 0.00 54.97 54.23 3ita s GLU 260 Cb -0.03 0.25 -0.02 0.00 -0.44 0.00 0.00 34.13 33.89 3ita s GLU 260 CO 0.02 -0.17 -0.06 0.99 0.95 0.00 0.00 175.26 176.99 3ita s THR 261 N -2.50 3.59 0.12 1.83 2.01 -1.26 -1.11 115.64 118.31 3ita s THR 261 Ca -0.06 -0.46 0.00 0.00 0.31 0.00 0.00 61.69 61.49 3ita s THR 261 Cb -0.02 -2.56 -0.04 0.00 0.01 0.00 0.00 72.50 69.89 3ita s THR 261 CO -0.04 0.49 -0.00 0.68 -0.69 0.00 0.00 174.62 175.06 3ita s VAL 262 N 0.48 0.43 -0.53 3.82 -7.23 -0.57 -4.94 120.40 111.86 3ita s VAL 262 Ca -0.05 -1.92 0.05 0.00 -1.81 0.00 0.00 61.98 58.25 3ita s VAL 262 Cb -0.15 -1.89 0.17 0.00 0.56 0.00 0.00 36.38 35.08 3ita s VAL 262 CO 0.03 -0.66 0.41 0.41 -0.31 0.00 0.00 175.10 174.99 3ita n THR 263 N -0.09 0.00 -0.09 5.32 -1.04 -1.26 -1.50 114.28 115.62 3ita n THR 263 Ca -0.09 -4.05 -0.05 0.00 -2.04 0.00 0.00 64.05 57.82 3ita n THR 263 Cb 0.62 -1.88 0.15 0.00 -1.82 0.00 0.00 70.33 67.40 3ita n THR 263 CO 0.00 0.00 0.00 -0.65 -0.64 0.00 0.00 175.07 173.78 3ita h PRO 264 N 5.47 0.76 -4.81 -2.82 0.11 -1.97 -3.38 132.00 125.35 3ita h PRO 264 Ca 0.22 -0.23 -0.68 0.00 0.11 0.00 0.00 66.00 65.41 3ita h PRO 264 Cb 0.84 -0.07 -0.30 0.00 0.11 0.00 0.00 31.00 31.58 3ita h PRO 264 CO 0.52 0.82 -0.67 0.42 -0.21 0.00 0.00 178.00 178.88 3ita s ILE 265 N -4.85 3.40 0.53 4.15 1.01 -1.26 -5.10 121.20 119.07 3ita s ILE 265 Ca -0.09 -1.00 -0.21 0.00 0.00 0.00 0.00 60.65 59.35 3ita s ILE 265 Cb 0.14 -2.81 -0.06 0.00 0.01 0.00 0.00 42.46 39.75 3ita s ILE 265 CO 0.81 0.04 1.20 -0.54 0.00 0.00 0.00 174.94 176.45 3ita s LYS 266 N 1.38 3.36 0.27 2.79 3.01 -1.26 -4.58 119.74 124.71 3ita s LYS 266 Ca -0.00 1.82 -0.30 0.00 -1.01 0.00 0.00 55.97 56.48 3ita s LYS 266 Cb -0.18 -2.17 -0.13 0.00 -1.01 0.00 0.00 37.83 34.35 3ita s LYS 266 CO -0.00 -0.89 1.38 -2.30 0.51 0.00 0.00 175.35 174.04 3ita n PRO 267 N -1.05 2.07 0.00 -1.68 -0.02 -1.25 -1.88 135.00 131.20 3ita n PRO 267 Ca 0.10 0.74 0.00 0.00 -2.02 0.00 0.00 63.50 62.32 3ita n PRO 267 Cb 0.49 -2.37 0.00 0.00 -0.02 0.00 0.00 33.50 31.59 3ita n PRO 267 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3ita n ASP 268 N 1.78 0.00 -4.80 2.55 8.00 -1.26 -5.03 116.55 117.80 3ita n ASP 268 Ca 0.10 0.00 -0.37 0.00 0.71 0.00 0.00 54.79 55.22 3ita n ASP 268 Cb 0.33 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.37 3ita n ASP 268 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ita s ALA 269 N -2.54 3.39 -0.12 2.24 0.00 -0.79 -5.03 121.76 118.90 3ita s ALA 269 Ca 0.00 0.28 -0.29 0.00 0.00 0.00 0.00 51.96 51.95 3ita s ALA 269 Cb 0.00 -2.92 -0.01 0.00 0.00 0.00 0.00 23.12 20.19 3ita s ALA 269 CO 0.00 0.29 1.05 0.99 0.00 0.00 0.00 175.76 178.09 3ita s THR 270 N -1.44 4.67 -0.17 0.00 2.01 -1.26 -4.48 115.64 114.96 3ita s THR 270 Ca 0.42 1.96 -0.22 0.00 0.31 0.00 0.00 61.69 64.16 3ita s THR 270 Cb -0.19 -4.26 -0.19 0.00 0.01 0.00 0.00 72.50 67.87 3ita s THR 270 CO 0.23 -0.04 0.36 0.15 -0.69 0.00 0.00 174.62 174.64 3ita h PHE 271 N 7.25 0.00 -3.71 4.92 3.57 -1.31 -3.49 116.94 124.17 3ita h PHE 271 Ca -0.29 0.00 -0.15 0.00 3.53 0.00 0.00 57.97 61.06 3ita h PHE 271 Cb 1.13 0.00 -0.21 0.00 2.79 0.00 0.00 35.95 39.66 3ita h PHE 271 CO 0.72 1.12 -0.58 0.14 -2.23 0.00 0.00 178.31 177.49 3ita s VAL 272 N -2.26 0.10 -0.10 1.41 -7.23 -0.90 -5.01 120.40 106.40 3ita s VAL 272 Ca -0.23 -0.79 0.02 0.00 -1.81 0.00 0.00 61.98 59.17 3ita s VAL 272 Cb 0.02 -0.37 -0.01 0.00 0.56 0.00 0.00 36.38 36.58 3ita s VAL 272 CO 0.56 -0.43 -0.16 0.28 -0.31 0.00 0.00 175.10 175.04 3ita s THR 273 N -1.44 2.86 0.14 5.32 -1.32 -1.26 -0.14 115.64 119.79 3ita s THR 273 Ca -0.15 -0.75 0.10 0.00 -1.21 0.00 0.00 61.69 59.68 3ita s THR 273 Cb -0.09 -2.16 -0.04 0.00 -1.51 0.00 0.00 72.50 68.70 3ita s THR 273 CO 0.00 0.55 -0.23 -1.10 -2.21 0.00 0.00 174.62 171.63 3ita s GLN 274 N 0.09 1.58 0.24 7.08 -1.52 0.48 -4.93 119.66 122.69 3ita s GLN 274 Ca -0.07 -1.32 -0.30 0.00 -1.95 0.00 0.00 55.36 51.72 3ita s GLN 274 Cb -0.15 -1.98 -0.10 0.00 -0.22 0.00 0.00 33.01 30.56 3ita s GLN 274 CO 0.05 0.45 1.50 0.50 -0.25 0.00 0.00 175.29 177.54 3ita s ARG 275 N -2.23 4.22 0.02 2.91 3.52 -1.26 0.52 118.95 126.65 3ita s ARG 275 Ca 0.17 2.38 0.09 0.00 -0.13 0.00 0.00 55.73 58.24 3ita s ARG 275 Cb -0.10 -3.10 -0.03 0.00 -1.56 0.00 0.00 34.95 30.17 3ita s ARG 275 CO 0.08 -0.51 -0.26 0.54 -0.81 0.00 0.00 175.30 174.35 3ita s VAL 276 N 0.22 2.07 -0.06 7.11 0.11 -0.76 -4.08 120.40 125.00 3ita s VAL 276 Ca 0.62 -1.27 -0.12 0.00 -2.93 0.00 0.00 61.98 58.28 3ita s VAL 276 Cb -0.44 -1.75 -0.05 0.00 -1.53 0.00 0.00 36.38 32.61 3ita s VAL 276 CO 0.42 0.43 0.31 0.26 -3.33 0.00 0.00 175.10 173.19 3ita s TRP 277 N -0.73 3.65 -1.51 1.54 0.52 0.12 -4.45 118.94 118.07 3ita s TRP 277 Ca 0.11 0.79 -0.03 0.00 0.02 0.00 0.00 56.10 56.99 3ita s TRP 277 Cb -0.10 -2.19 0.00 0.00 -1.15 0.00 0.00 33.47 30.03 3ita s TRP 277 CO 0.01 0.61 0.34 1.19 0.02 0.00 0.00 176.95 179.12 3ita n PHE 278 N 2.16 -1.46 -3.97 -1.98 3.72 -1.26 -1.78 117.46 112.89 3ita n PHE 278 Ca -0.15 0.29 -0.24 0.00 -0.05 0.00 0.00 57.45 57.30 3ita n PHE 278 Cb 0.53 -4.03 -0.05 0.00 -0.94 0.00 0.00 39.48 34.99 3ita n PHE 278 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 3ita s GLY 279 N -2.50 2.33 0.00 1.37 0.00 -1.26 -2.44 107.32 104.82 3ita s GLY 279 Ca 0.17 -1.80 0.22 0.00 0.00 0.00 0.00 44.72 43.31 3ita s GLY 279 CO 0.21 -1.88 1.70 2.09 0.00 0.00 0.00 173.10 175.21 3ita n ASP 280 N -1.42 0.00 -4.12 1.64 5.75 -0.03 -4.07 116.55 114.29 3ita n ASP 280 Ca -0.01 -0.21 -0.16 0.00 -0.01 0.00 0.00 54.79 54.40 3ita n ASP 280 Cb 0.64 -0.21 -0.12 0.00 -1.03 0.00 0.00 41.12 40.41 3ita n ASP 280 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 3ita s LYS 281 N -2.41 0.69 0.29 0.11 1.02 -1.26 -5.01 119.74 113.16 3ita s LYS 281 Ca 0.24 -0.88 0.23 0.00 0.02 0.00 0.00 55.97 55.58 3ita s LYS 281 Cb 0.15 -0.57 0.21 0.00 -0.52 0.00 0.00 37.83 37.09 3ita s LYS 281 CO 0.31 0.12 1.33 0.66 -0.92 0.00 0.00 175.35 176.85 3ita h SER 282 N 4.33 0.00 -5.07 2.83 4.64 -1.84 -3.43 113.55 115.00 3ita h SER 282 Ca -0.38 -0.02 -0.10 0.00 -0.47 0.00 0.00 61.79 60.81 3ita h SER 282 Cb 1.20 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 63.12 3ita h SER 282 CO 0.41 0.01 -0.35 -1.61 -0.87 0.00 0.00 176.83 174.43 3ita s GLU 283 N -3.27 0.74 0.04 4.77 2.02 -1.26 -1.83 118.70 119.91 3ita s GLU 283 Ca 0.04 -0.62 0.09 0.00 0.02 0.00 0.00 54.97 54.50 3ita s GLU 283 Cb 0.08 0.31 -0.03 0.00 0.10 0.00 0.00 34.13 34.60 3ita s GLU 283 CO 0.73 -0.22 -0.24 0.14 0.02 0.00 0.00 175.26 175.68 3ita s VAL 284 N -2.65 1.97 -0.05 2.63 -7.23 0.18 -4.82 120.40 110.44 3ita s VAL 284 Ca -0.04 -1.31 -0.30 0.00 -1.81 0.00 0.00 61.98 58.51 3ita s VAL 284 Cb -0.01 -1.69 -0.03 0.00 0.56 0.00 0.00 36.38 35.21 3ita s VAL 284 CO -0.04 0.32 1.11 0.20 -0.31 0.00 0.00 175.10 176.37 3ita s ASN 285 N -1.20 7.16 0.09 4.85 0.02 -1.26 -0.39 114.94 124.22 3ita s ASN 285 Ca 0.10 1.73 0.07 0.00 -1.02 0.00 0.00 52.86 53.74 3ita s ASN 285 Cb -0.10 -2.56 -0.04 0.00 0.02 0.00 0.00 41.25 38.57 3ita s ASN 285 CO 0.02 -0.48 -0.14 -0.76 0.02 0.00 0.00 177.10 175.77 3ita s LEU 286 N 1.82 2.88 0.00 0.60 1.43 0.80 -0.71 118.68 125.49 3ita s LEU 286 Ca 0.53 -0.43 0.00 0.00 -1.03 0.00 0.00 54.13 53.20 3ita s LEU 286 Cb -0.23 -1.69 0.00 0.00 0.03 0.00 0.00 46.19 44.30 3ita s LEU 286 CO 0.22 0.20 0.00 0.61 0.23 0.00 0.00 176.35 177.61 3ita n GLY 287 N 0.91 2.92 0.05 -3.19 0.00 0.17 -0.76 105.19 105.29 3ita n GLY 287 Ca -0.15 -1.02 0.04 0.00 0.00 0.00 0.00 46.02 44.90 3ita n GLY 287 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ita n ALA 288 N -3.00 2.34 -0.75 4.61 0.00 -1.26 -0.97 120.51 121.47 3ita n ALA 288 Ca 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 53.44 52.73 3ita n ALA 288 Cb 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 19.45 18.80 3ita n ALA 288 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ita n GLY 289 N 1.40 1.70 0.12 0.00 0.00 -1.26 -3.39 105.19 103.75 3ita n GLY 289 Ca -0.12 -0.59 0.12 0.00 0.00 0.00 0.00 46.02 45.43 3ita n GLY 289 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3ita n GLU 290 N 8.24 0.20 -0.73 1.61 -0.58 -1.26 -3.47 120.64 124.65 3ita n GLU 290 Ca 0.00 0.37 0.08 0.00 -0.42 0.00 0.00 57.16 57.19 3ita n GLU 290 Cb 0.00 -1.84 0.37 0.00 -0.57 0.00 0.00 31.44 29.39 3ita n GLU 290 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3ita n ALA 291 N -1.76 3.47 0.72 0.62 0.00 -1.22 -4.38 120.51 117.96 3ita n ALA 291 Ca 0.03 -1.86 0.02 0.00 0.00 0.00 0.00 53.44 51.63 3ita n ALA 291 Cb 0.27 -1.01 0.10 0.00 0.00 0.00 0.00 19.45 18.80 3ita n ALA 291 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ita n GLY 292 N 0.63 1.43 3.82 0.00 0.00 -1.23 -4.81 105.19 105.04 3ita n GLY 292 Ca 0.26 -0.22 -0.38 0.00 0.00 0.00 0.00 46.02 45.68 3ita n GLY 292 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3ita s SER 293 N -0.37 6.66 -0.01 1.61 0.01 -1.26 -4.05 113.70 116.29 3ita s SER 293 Ca 0.13 0.79 0.02 0.00 1.31 0.00 0.00 55.95 58.20 3ita s SER 293 Cb 0.09 -2.20 -0.00 0.00 0.21 0.00 0.00 66.02 64.12 3ita s SER 293 CO 0.05 0.30 -0.07 -0.69 0.41 0.00 0.00 173.24 173.23 3ita s VAL 294 N -0.77 0.60 -0.31 3.43 1.01 -0.56 -4.67 120.40 119.13 3ita s VAL 294 Ca 0.21 -0.29 -0.11 0.00 0.00 0.00 0.00 61.98 61.79 3ita s VAL 294 Cb -0.15 -0.53 -0.02 0.00 0.00 0.00 0.00 36.38 35.68 3ita s VAL 294 CO 0.10 0.18 0.20 -0.89 0.00 0.00 0.00 175.10 174.69 3ita s THR 295 N 0.04 5.04 0.25 3.92 2.01 -1.26 -1.51 115.64 124.13 3ita s THR 295 Ca -0.00 -0.19 0.08 0.00 0.31 0.00 0.00 61.69 61.89 3ita s THR 295 Cb -0.05 -3.53 -0.05 0.00 0.01 0.00 0.00 72.50 68.87 3ita s THR 295 CO -0.00 0.09 -0.11 0.27 -0.69 0.00 0.00 174.62 174.17 3ita s ILE 296 N 1.69 1.81 0.29 1.82 -4.36 -0.27 -4.94 121.20 117.24 3ita s ILE 296 Ca 0.06 -2.20 -0.30 0.00 -0.26 0.00 0.00 60.65 57.95 3ita s ILE 296 Cb -0.17 -2.27 -0.13 0.00 1.25 0.00 0.00 42.46 41.14 3ita s ILE 296 CO 0.09 -0.43 1.42 -2.65 0.24 0.00 0.00 174.94 173.61 3ita n PRO 297 N -0.51 2.23 -1.99 0.37 -0.02 -1.26 -0.82 135.00 133.00 3ita n PRO 297 Ca -0.06 0.79 -0.41 0.00 -2.02 0.00 0.00 63.50 61.80 3ita n PRO 297 Cb 0.62 -2.46 -0.02 0.00 -0.02 0.00 0.00 33.50 31.62 3ita n PRO 297 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 3ita s ARG 298 N -0.91 4.26 0.00 -0.52 3.52 0.72 -1.76 118.95 124.26 3ita s ARG 298 Ca 0.63 2.34 0.00 0.00 -0.13 0.00 0.00 55.73 58.57 3ita s ARG 298 Cb -0.59 -3.06 0.00 0.00 -1.56 0.00 0.00 34.95 29.74 3ita s ARG 298 CO 0.53 -0.38 0.00 0.41 -0.81 0.00 0.00 175.30 175.06 3ita n GLY 299 N 1.41 1.27 1.37 8.12 0.00 -1.26 -4.92 105.19 111.18 3ita n GLY 299 Ca 0.04 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.17 3ita n GLY 299 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3ita n GLN 300 N -2.00 2.93 -0.22 1.61 1.13 -0.72 -4.44 117.38 115.67 3ita n GLN 300 Ca 0.00 -2.69 0.08 0.00 -1.94 0.00 0.00 57.00 52.45 3ita n GLN 300 Cb 0.00 -1.62 0.35 0.00 0.11 0.00 0.00 30.24 29.08 3ita n GLN 300 CO 0.00 0.00 0.00 1.25 -1.44 0.00 0.00 177.06 176.87 3ita h LEU 301 N 4.17 0.69 -1.25 1.08 5.85 -1.92 -2.37 115.31 121.55 3ita h LEU 301 Ca 0.00 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.73 3ita h LEU 301 Cb 1.07 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.97 3ita h LEU 301 CO 0.04 0.42 0.00 0.07 -0.34 0.00 0.00 178.44 178.63 3ita h LYS 302 N 0.77 0.00 -0.07 1.25 2.10 -1.99 -1.29 116.57 117.33 3ita h LYS 302 Ca 0.36 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.01 3ita h LYS 302 Cb 0.38 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.71 3ita h LYS 302 CO -0.13 0.00 0.00 0.09 -2.00 0.00 0.00 179.45 177.41 3ita n ASN 303 N -2.76 2.98 -4.70 7.07 5.03 -0.91 -4.99 115.26 116.97 3ita n ASN 303 Ca 0.01 -1.96 -0.42 0.00 0.87 0.00 0.00 54.58 53.08 3ita n ASN 303 Cb 0.26 -0.03 -0.03 0.00 -1.02 0.00 0.00 39.78 38.96 3ita n ASN 303 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 3ita s LEU 304 N -1.85 4.35 0.13 3.41 2.96 -0.49 -4.44 118.68 122.75 3ita s LEU 304 Ca 0.28 2.33 0.07 0.00 -0.22 0.00 0.00 54.13 56.59 3ita s LEU 304 Cb 0.19 -3.58 -0.04 0.00 0.50 0.00 0.00 46.19 43.27 3ita s LEU 304 CO 0.29 -0.74 -0.06 -0.54 -1.32 0.00 0.00 176.35 173.98 3ita s LYS 305 N 1.78 2.23 -0.04 1.98 -0.14 0.32 -4.97 119.74 120.90 3ita s LYS 305 Ca 0.67 -1.06 0.02 0.00 -1.36 0.00 0.00 55.97 54.23 3ita s LYS 305 Cb -0.37 -2.32 0.01 0.00 -1.68 0.00 0.00 37.83 33.47 3ita s LYS 305 CO 0.30 0.49 -0.08 0.00 -0.76 0.00 0.00 175.35 175.30 3ita s ALA 306 N -1.43 0.82 0.28 5.17 0.00 -1.26 -0.41 121.76 124.93 3ita s ALA 306 Ca 0.24 -0.23 0.04 0.00 0.00 0.00 0.00 51.96 52.01 3ita s ALA 306 Cb -0.10 -0.38 -0.06 0.00 0.00 0.00 0.00 23.12 22.58 3ita s ALA 306 CO 0.16 0.08 0.02 -1.54 0.00 0.00 0.00 175.76 174.48 3ita s SER 307 N 0.50 2.18 0.16 0.00 1.04 0.38 -4.98 113.70 112.98 3ita s SER 307 Ca -0.08 -1.29 0.03 0.00 0.48 0.00 0.00 55.95 55.09 3ita s SER 307 Cb -0.11 -0.05 -0.05 0.00 0.10 0.00 0.00 66.02 65.91 3ita s SER 307 CO 0.01 -0.53 -0.04 -0.72 0.98 0.00 0.00 173.24 172.94 3ita s TYR 308 N -3.32 1.20 -0.00 5.02 1.13 -1.26 -0.81 117.35 119.31 3ita s TYR 308 Ca 0.33 -0.92 0.01 0.00 -1.41 0.00 0.00 57.07 55.07 3ita s TYR 308 Cb 0.07 -0.67 0.00 0.00 -1.10 0.00 0.00 41.96 40.26 3ita s TYR 308 CO 0.12 -0.11 -0.02 0.99 -2.51 0.00 0.00 175.55 174.03 3ita s THR 309 N -3.54 0.17 -0.20 -3.49 2.01 0.29 -4.98 115.64 105.90 3ita s THR 309 Ca 0.20 -0.07 -0.13 0.00 0.31 0.00 0.00 61.69 62.00 3ita s THR 309 Cb 0.05 -0.16 -0.04 0.00 0.01 0.00 0.00 72.50 72.35 3ita s THR 309 CO 0.02 0.06 0.28 -0.76 -0.69 0.00 0.00 174.62 173.53 3ita s LEU 310 N 0.06 4.18 0.06 4.42 1.43 -1.26 -0.92 118.68 126.64 3ita s LEU 310 Ca -0.00 0.39 -0.17 0.00 -1.03 0.00 0.00 54.13 53.32 3ita s LEU 310 Cb -0.02 -2.33 -0.16 0.00 0.03 0.00 0.00 46.19 43.70 3ita s LEU 310 CO -0.00 0.04 1.27 0.71 0.23 0.00 0.00 176.35 178.59 3ita h THR 311 N 4.89 1.35 -3.13 5.49 1.35 -1.66 -3.41 112.91 117.79 3ita h THR 311 Ca -0.39 -1.77 -0.63 0.00 -0.55 0.00 0.00 66.41 63.07 3ita h THR 311 Cb 1.16 2.07 -0.14 0.00 -1.73 0.00 0.00 68.15 69.52 3ita h THR 311 CO 0.72 0.54 0.43 -1.61 -0.25 0.00 0.00 175.52 175.35 3ita s GLU 312 N -3.80 3.25 0.23 4.72 0.41 -1.26 -4.92 118.70 117.32 3ita s GLU 312 Ca -0.12 -0.50 0.19 0.00 -0.41 0.00 0.00 54.97 54.12 3ita s GLU 312 Cb 0.06 -4.09 0.73 0.00 -1.78 0.00 0.00 34.13 29.05 3ita s GLU 312 CO 0.83 -1.47 0.71 -2.30 -0.49 0.00 0.00 175.26 172.54 3ita n PRO 313 N 7.18 -0.01 -3.78 0.39 -0.02 -1.26 -4.24 135.00 133.25 3ita n PRO 313 Ca -0.01 0.53 -0.10 0.00 -2.02 0.00 0.00 63.50 61.90 3ita n PRO 313 Cb 0.47 -1.13 -0.05 0.00 -0.02 0.00 0.00 33.50 32.76 3ita n PRO 313 CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 3ita s GLN 314 N -4.11 1.18 -0.18 -0.52 0.00 -1.26 -5.15 119.66 109.63 3ita s GLN 314 Ca -0.03 -0.92 -0.12 0.00 -0.00 0.00 0.00 55.36 54.29 3ita s GLN 314 Cb 0.13 0.45 -0.05 0.00 0.00 0.00 0.00 33.01 33.54 3ita s GLN 314 CO 0.39 -0.47 0.23 -0.51 0.00 0.00 0.00 175.29 174.93 3ita s LEU 315 N -2.88 4.22 -0.03 2.60 1.02 -1.26 -5.04 118.68 117.31 3ita s LEU 315 Ca 0.09 0.39 0.04 0.00 0.02 0.00 0.00 54.13 54.68 3ita s LEU 315 Cb 0.01 -2.26 -0.03 0.00 0.02 0.00 0.00 46.19 43.94 3ita s LEU 315 CO -0.05 0.12 -0.16 -0.89 0.02 0.00 0.00 176.35 175.39 3ita s THR 316 N 0.48 2.94 0.88 5.49 2.01 -1.26 -0.70 115.64 125.47 3ita s THR 316 Ca 0.13 -0.82 -0.11 0.00 0.31 0.00 0.00 61.69 61.20 3ita s THR 316 Cb -0.12 -2.15 0.12 0.00 0.01 0.00 0.00 72.50 70.36 3ita s THR 316 CO 0.02 0.56 1.10 0.00 -0.69 0.00 0.00 174.62 175.60 3ita s ALA 317 N -0.75 1.61 0.55 7.40 0.00 -0.73 -4.61 121.76 125.23 3ita s ALA 317 Ca 0.12 0.18 -0.15 0.00 0.00 0.00 0.00 51.96 52.11 3ita s ALA 317 Cb -0.11 -3.28 -0.06 0.00 0.00 0.00 0.00 23.12 19.67 3ita s ALA 317 CO 0.01 -2.36 1.00 -1.25 0.00 0.00 0.00 175.76 173.16 3ita s PRO 318 N -4.83 3.79 -0.07 0.00 0.04 -1.26 -4.89 135.00 127.78 3ita s PRO 318 Ca 0.64 0.91 0.03 0.00 0.04 0.00 0.00 61.00 62.62 3ita s PRO 318 Cb -0.19 -2.11 0.01 0.00 0.04 0.00 0.00 34.50 32.25 3ita s PRO 318 CO 0.57 -0.41 -0.15 -0.51 0.04 0.00 0.00 177.00 176.55 3ita s LEU 319 N -4.44 1.77 -0.15 -3.56 1.02 0.11 -4.99 118.68 108.43 3ita s LEU 319 Ca 0.58 -0.37 -0.07 0.00 0.02 0.00 0.00 54.13 54.29 3ita s LEU 319 Cb -0.11 -0.98 -0.04 0.00 0.02 0.00 0.00 46.19 45.09 3ita s LEU 319 CO 0.38 0.07 0.11 -0.54 0.02 0.00 0.00 176.35 176.40 3ita s LYS 320 N 0.56 3.66 -0.23 1.70 3.01 -1.26 -0.85 119.74 126.33 3ita s LYS 320 Ca -0.15 -0.21 -0.22 0.00 -1.01 0.00 0.00 55.97 54.38 3ita s LYS 320 Cb -0.16 -3.22 -0.09 0.00 -1.01 0.00 0.00 37.83 33.35 3ita s LYS 320 CO 0.05 0.58 0.75 1.17 0.51 0.00 0.00 175.35 178.40 3ita n LYS 321 N 2.61 0.00 0.00 1.68 4.81 -1.26 -0.61 118.16 125.39 3ita n LYS 321 Ca -0.18 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.26 3ita n LYS 321 Cb 0.54 -0.69 0.00 0.00 0.02 0.00 0.00 35.03 34.90 3ita n LYS 321 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3ita n GLY 322 N 1.90 1.64 3.76 3.14 0.00 0.56 -4.98 105.19 111.21 3ita n GLY 322 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 3ita n GLY 322 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3ita n GLN 323 N -2.00 2.72 -3.08 1.61 7.27 0.22 -4.65 117.38 119.48 3ita n GLN 323 Ca 0.00 0.96 -0.40 0.00 0.07 0.00 0.00 57.00 57.63 3ita n GLN 323 Cb 0.00 -2.74 -0.05 0.00 2.41 0.00 0.00 30.24 29.86 3ita n GLN 323 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 3ita s VAL 324 N -0.31 5.01 0.00 1.69 1.01 -1.26 -0.75 120.40 125.79 3ita s VAL 324 Ca 0.61 1.27 0.00 0.00 0.00 0.00 0.00 61.98 63.86 3ita s VAL 324 Cb -0.48 -3.98 0.00 0.00 0.00 0.00 0.00 36.38 31.92 3ita s VAL 324 CO 0.53 0.12 0.58 0.52 0.00 0.00 0.00 175.10 176.85 3ita n VAL 325 N 4.59 0.33 0.00 2.92 0.31 0.27 -4.99 118.33 121.75 3ita n VAL 325 Ca -0.01 -0.51 0.00 0.00 -0.01 0.00 0.00 64.34 63.81 3ita n VAL 325 Cb 0.50 1.00 0.00 0.00 -0.91 0.00 0.00 33.84 34.42 3ita n VAL 325 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3ita n GLY 326 N -0.16 -0.74 2.92 2.92 0.00 -1.14 -1.61 105.19 107.37 3ita n GLY 326 Ca 0.00 -0.38 -0.15 0.00 0.00 0.00 0.00 46.02 45.49 3ita n GLY 326 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ita s THR 327 N -4.00 0.31 -0.19 2.61 2.01 -0.10 -1.48 115.64 114.79 3ita s THR 327 Ca 0.00 -0.14 -0.05 0.00 0.31 0.00 0.00 61.69 61.82 3ita s THR 327 Cb 0.00 -0.28 -0.02 0.00 0.01 0.00 0.00 72.50 72.20 3ita s THR 327 CO 0.00 0.10 -0.01 -0.63 -0.69 0.00 0.00 174.62 173.40 3ita s ILE 328 N 0.09 3.93 -0.12 1.82 1.01 0.56 -0.55 121.20 127.95 3ita s ILE 328 Ca -0.01 -0.32 0.00 0.00 0.00 0.00 0.00 60.65 60.32 3ita s ILE 328 Cb -0.04 -2.77 -0.01 0.00 0.01 0.00 0.00 42.46 39.65 3ita s ILE 328 CO -0.00 0.44 -0.14 -0.62 0.00 0.00 0.00 174.94 174.62 3ita s ASP 329 N 0.92 3.97 -0.15 3.58 2.15 0.01 0.08 116.67 127.23 3ita s ASP 329 Ca 0.01 -0.33 -0.05 0.00 0.43 0.00 0.00 52.55 52.62 3ita s ASP 329 Cb -0.14 -1.55 -0.03 0.00 -0.30 0.00 0.00 42.92 40.90 3ita s ASP 329 CO 0.02 0.18 -0.00 -0.36 -0.17 0.00 0.00 175.17 174.83 3ita s PHE 330 N 0.27 3.11 0.09 -5.34 0.40 0.17 -0.47 117.98 116.21 3ita s PHE 330 Ca -0.10 -0.11 0.07 0.00 -0.60 0.00 0.00 56.93 56.19 3ita s PHE 330 Cb -0.16 -1.97 -0.03 0.00 0.51 0.00 0.00 43.02 41.37 3ita s PHE 330 CO 0.05 0.10 -0.18 -0.65 0.70 0.00 0.00 175.22 175.24 3ita s GLN 331 N 0.17 1.02 -0.06 0.44 -0.21 0.45 -0.98 119.66 120.49 3ita s GLN 331 Ca 0.01 -1.09 -0.02 0.00 0.02 0.00 0.00 55.36 54.27 3ita s GLN 331 Cb -0.13 -1.18 0.04 0.00 1.00 0.00 0.00 33.01 32.73 3ita s GLN 331 CO 0.02 0.27 0.12 -1.17 -2.12 0.00 0.00 175.29 172.41 3ita s LEU 332 N -1.87 0.70 -1.65 2.90 2.96 -0.44 -0.52 118.68 120.76 3ita s LEU 332 Ca 0.04 0.24 -0.07 0.00 -0.22 0.00 0.00 54.13 54.12 3ita s LEU 332 Cb -0.10 0.25 0.07 0.00 0.50 0.00 0.00 46.19 46.91 3ita s LEU 332 CO 0.04 -0.16 0.20 0.59 -1.32 0.00 0.00 176.35 175.70 3ita n ASN 333 N 4.35 0.05 0.00 3.68 3.02 -1.26 -1.64 115.26 123.45 3ita n ASN 333 Ca -0.24 -1.26 0.00 0.00 -0.03 0.00 0.00 54.58 53.05 3ita n ASN 333 Cb 0.51 -1.65 0.00 0.00 -0.61 0.00 0.00 39.78 38.03 3ita n ASN 333 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3ita n GLY 334 N -2.11 1.63 3.14 7.41 0.00 -1.26 -5.04 105.19 108.96 3ita n GLY 334 Ca -0.19 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.61 3ita n GLY 334 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3ita s LYS 335 N -0.45 1.13 0.12 1.61 2.20 -0.66 -5.11 119.74 118.58 3ita s LYS 335 Ca 0.00 -0.64 -0.31 0.00 -0.36 0.00 0.00 55.97 54.67 3ita s LYS 335 Cb 0.00 -1.12 -0.08 0.00 -1.51 0.00 0.00 37.83 35.12 3ita s LYS 335 CO 0.00 0.30 1.36 0.45 -0.36 0.00 0.00 175.35 177.10 3ita s SER 336 N -0.67 6.85 0.00 1.43 0.15 -1.26 -1.33 113.70 118.88 3ita s SER 336 Ca 0.05 2.31 0.06 0.00 0.70 0.00 0.00 55.95 59.07 3ita s SER 336 Cb -0.07 -2.59 -0.03 0.00 -1.71 0.00 0.00 66.02 61.62 3ita s SER 336 CO 0.00 -0.62 0.37 2.30 1.20 0.00 0.00 173.24 176.49 3ita n ILE 337 N 3.75 0.00 -3.38 6.45 -5.35 -0.16 -4.94 119.36 115.73 3ita n ILE 337 Ca 0.10 -0.40 0.03 0.00 -0.27 0.00 0.00 62.75 62.21 3ita n ILE 337 Cb 0.43 1.04 -0.05 0.00 -1.74 0.00 0.00 39.64 39.31 3ita n ILE 337 CO 0.00 0.00 0.00 -1.61 -1.76 0.00 0.00 176.55 173.18 3ita s GLU 338 N -1.27 0.03 -0.09 6.28 2.02 -1.21 -4.99 118.70 119.48 3ita s GLU 338 Ca 0.04 0.07 0.02 0.00 0.02 0.00 0.00 54.97 55.12 3ita s GLU 338 Cb 0.05 0.03 -0.02 0.00 0.10 0.00 0.00 34.13 34.29 3ita s GLU 338 CO 0.19 -0.01 -0.16 -1.14 0.02 0.00 0.00 175.26 174.16 3ita s GLN 339 N 1.62 2.93 0.27 1.61 0.74 -1.26 -0.66 119.66 124.91 3ita s GLN 339 Ca -0.03 -0.74 0.10 0.00 0.05 0.00 0.00 55.36 54.74 3ita s GLN 339 Cb -0.01 -2.45 -0.05 0.00 1.10 0.00 0.00 33.01 31.60 3ita s GLN 339 CO -0.13 0.38 -0.16 1.03 -0.55 0.00 0.00 175.29 175.85 3ita s ARG 340 N -0.10 1.61 0.21 1.67 1.81 0.11 -4.98 118.95 119.29 3ita s ARG 340 Ca -0.03 -1.76 -0.30 0.00 -1.72 0.00 0.00 55.73 51.93 3ita s ARG 340 Cb -0.14 -1.58 -0.09 0.00 -0.45 0.00 0.00 34.95 32.70 3ita s ARG 340 CO 0.04 0.25 1.26 -2.14 -0.68 0.00 0.00 175.30 174.03 3ita s PRO 341 N -3.57 4.43 -0.30 3.54 0.02 -1.26 -0.32 135.00 137.54 3ita s PRO 341 Ca 0.29 1.99 -0.25 0.00 0.02 0.00 0.00 61.00 63.05 3ita s PRO 341 Cb -0.02 -3.20 0.01 0.00 0.02 0.00 0.00 34.50 31.30 3ita s PRO 341 CO 0.13 -0.17 0.89 -1.17 -0.33 0.00 0.00 177.00 176.35 3ita s LEU 342 N -0.36 4.05 0.17 -5.54 2.96 -0.55 -4.62 118.68 114.79 3ita s LEU 342 Ca 0.54 0.85 0.10 0.00 -0.22 0.00 0.00 54.13 55.40 3ita s LEU 342 Cb -0.35 -3.24 -0.04 0.00 0.50 0.00 0.00 46.19 43.05 3ita s LEU 342 CO 0.39 -0.68 -0.18 0.27 -1.32 0.00 0.00 176.35 174.83 3ita s ILE 343 N 3.16 2.74 0.22 6.68 -4.36 -0.15 -0.57 121.20 128.92 3ita s ILE 343 Ca 0.37 -1.79 -0.30 0.00 -0.26 0.00 0.00 60.65 58.67 3ita s ILE 343 Cb -0.14 -2.31 -0.09 0.00 1.25 0.00 0.00 42.46 41.17 3ita s ILE 343 CO 0.12 -0.06 1.37 -0.69 0.24 0.00 0.00 174.94 175.92 3ita s VAL 344 N -1.55 2.96 -0.12 8.37 1.01 0.07 -0.66 120.40 130.48 3ita s VAL 344 Ca 0.21 0.80 0.16 0.00 0.00 0.00 0.00 61.98 63.15 3ita s VAL 344 Cb -0.09 -3.51 -0.23 0.00 0.00 0.00 0.00 36.38 32.55 3ita s VAL 344 CO 0.12 0.12 0.39 0.23 0.00 0.00 0.00 175.10 175.95 3ita n MET 345 N 2.50 0.68 -4.16 2.72 0.00 0.11 -0.32 117.12 118.65 3ita n MET 345 Ca 0.06 -0.12 -0.16 0.00 0.00 0.00 0.00 57.70 57.49 3ita n MET 345 Cb 0.42 -1.35 -0.13 0.00 0.00 0.00 0.00 33.22 32.15 3ita n MET 345 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 175.97 174.14 3ita s GLU 346 N -3.00 0.57 0.33 0.03 -1.05 -1.26 -4.86 118.70 109.45 3ita s GLU 346 Ca -0.04 -0.53 -0.29 0.00 -0.15 0.00 0.00 54.97 53.96 3ita s GLU 346 Cb 0.10 -0.47 -0.12 0.00 -0.44 0.00 0.00 34.13 33.21 3ita s GLU 346 CO 0.65 0.11 1.50 0.09 0.95 0.00 0.00 175.26 178.56 3ita n ASN 347 N 2.15 3.59 -3.85 0.83 5.03 -1.26 -4.17 115.26 117.58 3ita n ASN 347 Ca -0.18 1.19 -0.25 0.00 0.87 0.00 0.00 54.58 56.20 3ita n ASN 347 Cb 0.56 -1.57 -0.17 0.00 -1.02 0.00 0.00 39.78 37.57 3ita n ASN 347 CO 0.00 0.00 0.00 0.68 -1.83 0.00 0.00 177.26 176.11 3ita s VAL 348 N -0.58 0.76 0.62 2.41 -7.23 -0.03 -4.96 120.40 111.39 3ita s VAL 348 Ca 0.59 -0.13 -0.11 0.00 -1.81 0.00 0.00 61.98 60.52 3ita s VAL 348 Cb -0.51 -0.84 -0.04 0.00 0.56 0.00 0.00 36.38 35.55 3ita s VAL 348 CO 0.56 0.32 1.03 -1.61 -0.31 0.00 0.00 175.10 175.09 3ita s GLU 349 N 1.82 3.59 0.38 4.82 0.41 -1.26 0.03 118.70 128.49 3ita s GLU 349 Ca 0.05 0.75 -0.26 0.00 -0.41 0.00 0.00 54.97 55.10 3ita s GLU 349 Cb -0.12 -2.08 -0.12 0.00 -1.78 0.00 0.00 34.13 30.03 3ita s GLU 349 CO -0.07 -0.58 1.02 0.39 -0.49 0.00 0.00 175.26 175.54 3ita n GLU 350 N -2.75 1.41 -0.04 1.61 1.02 -1.26 -0.85 120.64 119.77 3ita n GLU 350 Ca 0.06 0.50 0.00 0.00 -0.02 0.00 0.00 57.16 57.70 3ita n GLU 350 Cb 0.54 -2.01 0.00 0.00 -0.02 0.00 0.00 31.44 29.95 3ita n GLU 350 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3ita n GLY 351 N 1.17 -0.83 2.51 0.62 0.00 -1.02 -4.23 105.19 103.41 3ita n GLY 351 Ca 0.09 -1.69 0.00 0.00 0.00 0.00 0.00 46.02 44.42 3ita n GLY 351 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93