#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ita s VAL 6 N 0.00 3.61 0.12 12.58 1.01 -1.26 -4.97 120.40 131.49 3ita s VAL 6 Ca 0.00 1.25 -0.31 0.00 0.00 0.00 0.00 61.98 62.91 3ita s VAL 6 Cb 0.00 -3.80 -0.10 0.00 0.00 0.00 0.00 36.38 32.49 3ita s VAL 6 CO 0.00 0.15 1.69 -0.70 0.00 0.00 0.00 175.10 176.24 3ita s GLU 7 N 0.42 4.18 0.45 2.72 2.56 -1.26 -4.94 118.70 122.83 3ita s GLU 7 Ca 0.57 2.44 -0.24 0.00 0.00 0.00 0.00 54.97 57.74 3ita s GLU 7 Cb -0.33 -3.43 -0.07 0.00 2.00 0.00 0.00 34.13 32.30 3ita s GLU 7 CO 0.33 -0.73 1.27 0.00 -0.56 0.00 0.00 175.26 175.57 3ita s ALA 8 N 2.14 3.07 0.69 6.30 0.00 -1.26 -5.00 121.76 127.70 3ita s ALA 8 Ca 0.75 1.16 -0.14 0.00 0.00 0.00 0.00 51.96 53.73 3ita s ALA 8 Cb -0.44 -3.47 0.01 0.00 0.00 0.00 0.00 23.12 19.23 3ita s ALA 8 CO 0.33 -0.89 1.10 -1.25 0.00 0.00 0.00 175.76 175.05 3ita s PRO 9 N -2.53 2.68 0.23 0.00 0.04 -1.26 -5.02 135.00 129.13 3ita s PRO 9 Ca 0.62 1.31 -0.30 0.00 0.04 0.00 0.00 61.00 62.68 3ita s PRO 9 Cb -0.35 -1.94 -0.09 0.00 0.04 0.00 0.00 34.50 32.16 3ita s PRO 9 CO 0.44 -1.34 1.08 0.45 0.04 0.00 0.00 177.00 177.67 3ita s SER 10 N -2.83 7.32 -0.10 6.66 0.15 -1.26 -5.01 113.70 118.61 3ita s SER 10 Ca 0.65 2.15 0.02 0.00 0.70 0.00 0.00 55.95 59.47 3ita s SER 10 Cb -0.19 -2.61 0.01 0.00 -1.71 0.00 0.00 66.02 61.52 3ita s SER 10 CO 0.45 -0.14 -0.16 -0.69 1.20 0.00 0.00 173.24 173.91 3ita s VAL 11 N -0.76 1.51 -1.31 4.45 1.01 -1.26 -5.05 120.40 118.99 3ita s VAL 11 Ca 0.46 -0.66 -0.09 0.00 0.00 0.00 0.00 61.98 61.69 3ita s VAL 11 Cb -0.30 -1.37 0.14 0.00 0.00 0.00 0.00 36.38 34.85 3ita s VAL 11 CO 0.37 0.44 2.03 -0.67 0.00 0.00 0.00 175.10 177.27 3ita n ASP 12 N 4.10 5.66 -3.87 3.32 2.03 -1.26 -4.87 116.55 121.67 3ita n ASP 12 Ca -0.19 -3.09 -0.08 0.00 0.52 0.00 0.00 54.79 51.95 3ita n ASP 12 Cb 0.51 -1.47 -0.03 0.00 -0.72 0.00 0.00 41.12 39.41 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 0.31 -0.87 0.08 -1.67 0.00 -1.26 -4.58 121.76 113.77 3ita s ALA 13 Ca 0.43 -0.45 -0.19 0.00 0.00 0.00 0.00 51.96 51.76 3ita s ALA 13 Cb 0.12 0.92 -0.09 0.00 0.00 0.00 0.00 23.12 24.07 3ita s ALA 13 CO -0.02 -0.93 1.50 0.00 0.00 0.00 0.00 175.76 176.31 3ita h ARG 14 N 2.12 0.44 -3.10 0.00 2.47 -1.23 -3.47 114.38 111.61 3ita h ARG 14 Ca -0.24 -0.15 -0.11 0.00 -1.26 0.00 0.00 59.98 58.22 3ita h ARG 14 Cb 1.25 -0.03 -0.19 0.00 -1.65 0.00 0.00 29.97 29.35 3ita h ARG 14 CO 0.30 0.64 -0.28 0.00 0.56 0.00 0.00 179.97 181.20 3ita s ALA 15 N -4.89 -0.75 0.19 0.04 0.00 -0.93 -4.64 121.76 110.78 3ita s ALA 15 Ca -0.14 0.25 -0.21 0.00 0.00 0.00 0.00 51.96 51.86 3ita s ALA 15 Cb 0.07 0.12 0.05 0.00 0.00 0.00 0.00 23.12 23.36 3ita s ALA 15 CO 0.75 -0.29 0.60 1.67 0.00 0.00 0.00 175.76 178.49 3ita s TRP 16 N -1.56 -0.35 -0.07 0.00 -2.14 0.02 -0.64 118.94 114.19 3ita s TRP 16 Ca -0.12 0.04 -0.18 0.00 2.66 0.00 0.00 56.10 58.50 3ita s TRP 16 Cb -0.04 0.54 0.04 0.00 -3.10 0.00 0.00 33.47 30.90 3ita s TRP 16 CO 0.03 -0.95 0.43 -1.50 -2.66 0.00 0.00 176.95 172.30 3ita s ILE 17 N -3.82 0.03 -0.11 0.66 2.07 -0.38 -1.13 121.20 118.50 3ita s ILE 17 Ca 0.05 -0.22 0.01 0.00 -1.41 0.00 0.00 60.65 59.08 3ita s ILE 17 Cb -0.02 -0.69 0.02 0.00 0.13 0.00 0.00 42.46 41.90 3ita s ILE 17 CO -0.06 -0.12 -0.14 -0.22 -1.91 0.00 0.00 174.94 172.49 3ita s LEU 18 N -0.76 1.65 -0.03 8.50 2.96 -0.14 -0.86 118.68 130.00 3ita s LEU 18 Ca -0.08 -0.42 0.02 0.00 -0.22 0.00 0.00 54.13 53.43 3ita s LEU 18 Cb -0.04 -1.06 0.01 0.00 0.50 0.00 0.00 46.19 45.61 3ita s LEU 18 CO 0.04 -0.01 -0.06 -0.32 -1.32 0.00 0.00 176.35 174.67 3ita s MET 19 N 1.15 0.80 0.08 1.98 -2.45 -0.08 -0.45 119.30 120.33 3ita s MET 19 Ca -0.03 -0.19 -0.30 0.00 -1.25 0.00 0.00 55.69 53.91 3ita s MET 19 Cb -0.14 -0.78 -0.05 0.00 1.25 0.00 0.00 34.83 35.10 3ita s MET 19 CO -0.04 0.03 1.11 0.34 1.05 0.00 0.00 175.02 177.51 3ita s ASP 20 N 0.46 7.21 0.13 1.11 -1.08 -0.26 -0.54 116.67 123.71 3ita s ASP 20 Ca -0.06 1.94 -0.15 0.00 -0.52 0.00 0.00 52.55 53.76 3ita s ASP 20 Cb -0.10 -2.58 -0.00 0.00 -1.46 0.00 0.00 42.92 38.77 3ita s ASP 20 CO 0.00 -0.35 1.62 0.22 0.52 0.00 0.00 175.17 177.19 3ita h TYR 21 N 6.36 0.74 0.23 -5.34 3.20 -1.56 0.64 116.97 121.24 3ita h TYR 21 Ca -0.42 -0.10 -0.33 0.00 3.14 0.00 0.00 58.73 61.02 3ita h TYR 21 Cb 1.21 -0.21 0.03 0.00 1.54 0.00 0.00 36.73 39.31 3ita h TYR 21 CO 0.66 0.71 -1.49 0.00 -1.64 0.00 0.00 178.16 176.40 3ita h ALA 22 N 0.95 -0.09 0.00 1.82 0.00 -1.93 -3.36 119.26 116.65 3ita h ALA 22 Ca 0.13 -0.90 0.00 0.00 0.00 0.00 0.00 54.91 54.14 3ita h ALA 22 Cb 0.36 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.34 3ita h ALA 22 CO 0.01 0.77 -1.44 -1.13 0.00 0.00 0.00 179.25 177.46 3ita n SER 23 N -3.68 0.43 0.00 0.00 3.41 -1.25 -4.61 113.62 107.93 3ita n SER 23 Ca -0.17 -0.03 0.00 0.00 -0.26 0.00 0.00 58.87 58.41 3ita n SER 23 Cb 1.09 1.24 0.00 0.00 -0.26 0.00 0.00 64.21 66.28 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 1.28 0.63 3.74 5.00 0.00 0.22 -4.92 105.19 111.13 3ita n GLY 24 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 3ita n GLY 24 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3ita s LYS 25 N -0.32 4.17 -0.57 1.61 2.47 -1.25 -4.63 119.74 121.23 3ita s LYS 25 Ca 0.00 2.48 -0.20 0.00 -1.56 0.00 0.00 55.97 56.68 3ita s LYS 25 Cb 0.00 -3.08 0.07 0.00 -1.46 0.00 0.00 37.83 33.37 3ita s LYS 25 CO 0.00 -0.59 0.74 0.08 0.16 0.00 0.00 175.35 175.73 3ita s VAL 26 N 0.38 4.72 0.07 4.02 1.01 -1.26 -1.10 120.40 128.24 3ita s VAL 26 Ca 0.65 -0.58 0.11 0.00 0.00 0.00 0.00 61.98 62.17 3ita s VAL 26 Cb -0.46 -4.45 -0.07 0.00 0.00 0.00 0.00 36.38 31.40 3ita s VAL 26 CO 0.41 -1.06 1.43 -0.07 0.00 0.00 0.00 175.10 175.81 3ita h LEU 27 N 10.19 0.00 -7.08 3.92 3.38 -1.12 -3.46 115.31 121.13 3ita h LEU 27 Ca -0.28 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.62 3ita h LEU 27 Cb 1.09 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 41.64 3ita h LEU 27 CO 1.06 0.73 0.09 0.00 0.09 0.00 0.00 178.44 180.42 3ita s ALA 28 N -3.01 -1.60 -0.02 1.53 0.00 -1.21 -4.90 121.76 112.54 3ita s ALA 28 Ca 0.01 1.32 -0.29 0.00 0.00 0.00 0.00 51.96 53.01 3ita s ALA 28 Cb 0.10 -0.27 0.09 0.00 0.00 0.00 0.00 23.12 23.04 3ita s ALA 28 CO 0.77 -0.34 0.75 -1.83 0.00 0.00 0.00 175.76 175.12 3ita s GLU 29 N -0.81 0.98 -0.20 0.00 -1.05 -1.26 -0.96 118.70 115.39 3ita s GLU 29 Ca -0.09 0.02 -0.08 0.00 -0.15 0.00 0.00 54.97 54.67 3ita s GLU 29 Cb -0.02 0.46 0.09 0.00 -0.44 0.00 0.00 34.13 34.22 3ita s GLU 29 CO 0.07 -0.35 0.44 0.20 0.95 0.00 0.00 175.26 176.57 3ita s GLY 30 N -1.65 -0.38 -1.67 -3.83 0.00 -0.29 -4.93 107.32 94.57 3ita s GLY 30 Ca -0.05 1.59 -0.18 0.00 0.00 0.00 0.00 44.72 46.08 3ita s GLY 30 CO 0.01 2.30 0.78 0.70 0.00 0.00 0.00 173.10 176.90 3ita n ASN 31 N 5.13 -3.44 0.00 1.64 3.02 -1.26 -0.80 115.26 119.55 3ita n ASN 31 Ca -0.12 -0.96 0.12 0.00 -0.03 0.00 0.00 54.58 53.59 3ita n ASN 31 Cb 0.51 -2.81 0.54 0.00 -0.61 0.00 0.00 39.78 37.41 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 -4.34 2.13 0.15 5.41 0.00 -1.26 -2.06 120.51 120.54 3ita n ALA 32 Ca 0.08 -0.09 0.06 0.00 0.00 0.00 0.00 53.44 53.48 3ita n ALA 32 Cb 0.49 -1.38 0.10 0.00 0.00 0.00 0.00 19.45 18.66 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 -1.42 2.41 -4.71 0.00 8.00 -1.26 -1.48 116.55 118.09 3ita n ASP 33 Ca 0.08 -1.73 -0.42 0.00 0.71 0.00 0.00 54.79 53.43 3ita n ASP 33 Cb 0.24 -0.11 -0.03 0.00 -0.02 0.00 0.00 41.12 41.20 3ita n ASP 33 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 3ita s GLU 34 N -0.96 4.35 0.07 -1.24 2.12 -0.88 -4.93 118.70 117.24 3ita s GLU 34 Ca 0.18 1.97 -0.30 0.00 0.36 0.00 0.00 54.97 57.18 3ita s GLU 34 Cb 0.11 -3.32 -0.05 0.00 0.26 0.00 0.00 34.13 31.13 3ita s GLU 34 CO 0.15 -0.40 0.96 0.15 -0.54 0.00 0.00 175.26 175.58 3ita s LYS 35 N 1.25 4.64 0.04 4.30 1.02 -1.26 -4.47 119.74 125.25 3ita s LYS 35 Ca 0.63 1.43 -0.01 0.00 0.02 0.00 0.00 55.97 58.04 3ita s LYS 35 Cb -0.34 -3.41 -0.03 0.00 -0.52 0.00 0.00 37.83 33.54 3ita s LYS 35 CO 0.29 0.12 -0.03 -0.51 -0.92 0.00 0.00 175.35 174.31 3ita s LEU 36 N 0.36 2.35 0.01 3.17 1.43 -0.46 -4.94 118.68 120.60 3ita s LEU 36 Ca 0.48 -0.75 -0.30 0.00 -1.03 0.00 0.00 54.13 52.54 3ita s LEU 36 Cb -0.22 0.17 -0.06 0.00 0.03 0.00 0.00 46.19 46.10 3ita s LEU 36 CO 0.29 -0.45 1.45 -0.62 0.23 0.00 0.00 176.35 177.24 3ita s ASP 37 N -2.20 6.80 0.45 2.29 3.68 -1.25 -0.52 116.67 125.92 3ita s ASP 37 Ca -0.04 2.19 0.29 0.00 2.13 0.00 0.00 52.55 57.11 3ita s ASP 37 Cb -0.01 -2.56 1.05 0.00 -1.45 0.00 0.00 42.92 39.95 3ita s ASP 37 CO -0.06 -0.75 1.85 1.55 0.13 0.00 0.00 175.17 177.89 3ita h PRO 38 N 7.91 0.00 0.00 4.34 0.13 -1.86 -3.44 132.00 139.08 3ita h PRO 38 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 3ita h PRO 38 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 3ita h PRO 38 CO 0.91 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.68 3ita n ALA 39 N -2.01 0.00 0.32 -0.56 0.00 -1.26 -1.21 120.51 115.79 3ita n ALA 39 Ca 0.02 0.00 0.21 0.00 0.00 0.00 0.00 53.44 53.67 3ita n ALA 39 Cb 0.35 0.00 1.08 0.00 0.00 0.00 0.00 19.45 20.88 3ita n ALA 39 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3ita h SER 40 N 0.00 0.00 0.70 0.00 0.02 -1.74 -1.33 113.55 111.21 3ita h SER 40 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3ita h SER 40 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 3ita h SER 40 CO 0.00 0.01 0.00 -0.07 -1.14 0.00 0.00 176.83 175.63 3ita h LEU 41 N 0.00 0.00 -1.67 5.07 3.38 -1.38 -2.14 115.31 118.57 3ita h LEU 41 Ca -0.00 0.00 0.33 0.00 0.09 0.00 0.00 57.88 58.30 3ita h LEU 41 Cb 0.11 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 40.78 3ita h LEU 41 CO 0.00 0.00 0.80 0.74 0.09 0.00 0.00 178.44 180.07 3ita h THR 42 N 0.00 0.41 0.00 0.22 2.02 -1.38 -0.90 112.91 113.28 3ita h THR 42 Ca 0.00 -0.06 0.00 0.00 0.77 0.00 0.00 66.41 67.12 3ita h THR 42 Cb 0.35 0.23 0.00 0.00 -1.74 0.00 0.00 68.15 66.99 3ita h THR 42 CO 0.00 0.03 0.00 0.29 0.37 0.00 0.00 175.52 176.21 3ita n LYS 43 N -4.41 0.14 -0.16 6.66 5.02 -0.81 -1.03 118.16 123.58 3ita n LYS 43 Ca 0.27 0.37 -0.06 0.00 -2.02 0.00 0.00 58.31 56.86 3ita n LYS 43 Cb 1.14 -1.76 0.03 0.00 -0.02 0.00 0.00 35.03 34.41 3ita n LYS 43 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 3ita h ILE 44 N 0.00 1.06 -0.09 -0.18 2.04 -1.37 -1.39 117.51 117.58 3ita h ILE 44 Ca 0.00 -0.20 -0.19 0.00 1.00 0.00 0.00 64.86 65.48 3ita h ILE 44 Cb 0.35 0.43 -0.00 0.00 -0.74 0.00 0.00 36.82 36.85 3ita h ILE 44 CO 0.00 0.11 -0.72 -0.03 0.00 0.00 0.00 178.15 177.50 3ita h MET 45 N 0.58 0.44 -0.60 2.37 4.05 -1.24 -0.55 114.93 119.98 3ita h MET 45 Ca 0.19 -0.36 0.09 0.00 -0.28 0.00 0.00 59.70 59.34 3ita h MET 45 Cb 0.00 0.07 -0.07 0.00 -0.80 0.00 0.00 31.60 30.80 3ita h MET 45 CO -0.08 0.99 0.23 1.15 0.23 0.00 0.00 176.91 179.44 3ita h THR 46 N 0.30 0.79 -0.17 -0.77 2.02 -1.26 -1.20 112.91 112.63 3ita h THR 46 Ca -0.03 -0.14 -0.15 0.00 0.77 0.00 0.00 66.41 66.86 3ita h THR 46 Cb 1.30 0.33 -0.01 0.00 -1.74 0.00 0.00 68.15 68.03 3ita h THR 46 CO 0.13 0.08 -0.53 -1.28 0.37 0.00 0.00 175.52 174.29 3ita h SER 47 N 0.42 0.53 -0.29 4.18 0.87 -1.05 -1.93 113.55 116.28 3ita h SER 47 Ca 0.30 -0.27 0.06 0.00 -1.23 0.00 0.00 61.79 60.65 3ita h SER 47 Cb 0.36 -0.15 -0.06 0.00 -0.44 0.00 0.00 62.40 62.11 3ita h SER 47 CO -0.29 0.96 -0.07 0.22 -0.53 0.00 0.00 176.83 177.11 3ita h TYR 48 N 0.37 -0.16 -0.27 2.24 3.20 -0.65 0.24 116.97 121.95 3ita h TYR 48 Ca 0.01 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.90 3ita h TYR 48 Cb 1.05 0.11 -0.01 0.00 1.54 0.00 0.00 36.73 39.42 3ita h TYR 48 CO 0.04 -0.13 0.14 0.28 -1.64 0.00 0.00 178.16 176.86 3ita h VAL 49 N -0.00 1.13 -0.66 1.81 2.07 -0.98 -0.44 116.25 119.18 3ita h VAL 49 Ca 0.14 -0.36 -0.04 0.00 0.82 0.00 0.00 66.70 67.26 3ita h VAL 49 Cb 0.21 0.87 -0.03 0.00 -1.52 0.00 0.00 31.29 30.82 3ita h VAL 49 CO -0.30 0.13 0.27 0.58 0.02 0.00 0.00 177.57 178.27 3ita h VAL 50 N 0.32 1.24 -0.82 2.57 2.07 -1.08 -0.90 116.25 119.66 3ita h VAL 50 Ca 0.10 -0.75 0.06 0.00 0.82 0.00 0.00 66.70 66.93 3ita h VAL 50 Cb 0.08 0.49 -0.06 0.00 -1.52 0.00 0.00 31.29 30.28 3ita h VAL 50 CO -0.01 0.30 0.50 1.23 0.02 0.00 0.00 177.57 179.60 3ita h GLY 51 N 0.94 1.22 1.16 2.17 0.00 -0.23 0.35 103.07 108.68 3ita h GLY 51 Ca 0.22 -0.36 -0.11 0.00 0.00 0.00 0.00 47.33 47.08 3ita h GLY 51 CO -0.02 0.25 -0.08 1.46 0.00 0.00 0.00 176.54 178.16 3ita h GLN 52 N 0.92 0.99 -0.77 4.80 1.08 -0.48 0.12 115.11 121.77 3ita h GLN 52 Ca 0.35 -0.34 -0.05 0.00 -1.45 0.00 0.00 58.65 57.16 3ita h GLN 52 Cb 0.15 -0.07 -0.03 0.00 -0.05 0.00 0.00 27.48 27.47 3ita h GLN 52 CO -0.17 1.02 0.29 0.00 -0.95 0.00 0.00 178.83 179.03 3ita h ALA 53 N 1.01 1.06 -0.33 3.87 0.00 -0.39 -0.53 119.26 123.95 3ita h ALA 53 Ca 0.15 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 3ita h ALA 53 Cb 0.63 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3ita h ALA 53 CO 0.04 0.66 -0.03 -0.07 0.00 0.00 0.00 179.25 179.85 3ita h LEU 54 N 1.13 0.60 -0.99 0.00 3.38 -0.72 -1.56 115.31 117.15 3ita h LEU 54 Ca 0.26 -0.33 -0.07 0.00 0.09 0.00 0.00 57.88 57.82 3ita h LEU 54 Cb 0.24 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 3ita h LEU 54 CO -0.02 0.79 -0.08 0.50 0.09 0.00 0.00 178.44 179.73 3ita h LYS 55 N 0.40 0.64 0.00 1.13 3.64 -0.54 -1.29 116.57 120.55 3ita h LYS 55 Ca 0.09 -0.18 0.00 0.00 -1.27 0.00 0.00 60.65 59.29 3ita h LYS 55 Cb 0.50 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.25 3ita h LYS 55 CO 0.02 0.71 0.00 0.00 -2.27 0.00 0.00 179.45 177.92 3ita n ALA 56 N -2.48 2.61 -3.47 5.00 0.00 -0.23 -4.92 120.51 117.02 3ita n ALA 56 Ca 0.01 -0.18 -0.25 0.00 0.00 0.00 0.00 53.44 53.02 3ita n ALA 56 Cb 0.32 -1.47 0.03 0.00 0.00 0.00 0.00 19.45 18.34 3ita n ALA 56 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3ita n ASP 57 N -0.98 -5.35 0.04 0.00 2.03 -0.49 -4.88 116.55 106.92 3ita n ASP 57 Ca 0.22 -0.50 -0.02 0.00 0.52 0.00 0.00 54.79 55.01 3ita n ASP 57 Cb 0.10 -4.29 -0.08 0.00 -0.72 0.00 0.00 41.12 36.13 3ita n ASP 57 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 3ita h LYS 58 N -1.78 0.00 -5.13 -0.67 1.79 -1.54 -3.47 116.57 105.78 3ita h LYS 58 Ca -0.53 0.00 -0.35 0.00 -2.18 0.00 0.00 60.65 57.58 3ita h LYS 58 Cb 1.36 0.00 -0.14 0.00 -1.58 0.00 0.00 32.23 31.86 3ita h LYS 58 CO 0.59 0.39 -0.70 0.96 -1.08 0.00 0.00 179.45 179.61 3ita s ILE 59 N -2.86 1.20 0.11 1.86 -4.36 -1.19 -5.04 121.20 110.92 3ita s ILE 59 Ca -0.02 -2.07 0.07 0.00 -0.26 0.00 0.00 60.65 58.37 3ita s ILE 59 Cb 0.08 -2.01 -0.03 0.00 1.25 0.00 0.00 42.46 41.75 3ita s ILE 59 CO 0.81 -0.62 -0.18 -0.54 0.24 0.00 0.00 174.94 174.66 3ita s LYS 60 N -3.77 1.04 0.54 0.37 1.02 -1.26 -4.43 119.74 113.25 3ita s LYS 60 Ca 0.20 -1.15 0.25 0.00 0.02 0.00 0.00 55.97 55.29 3ita s LYS 60 Cb 0.03 -1.15 1.41 0.00 -0.52 0.00 0.00 37.83 37.61 3ita s LYS 60 CO 0.03 0.25 2.02 -0.07 -0.92 0.00 0.00 175.35 176.66 3ita h LEU 61 N 3.93 0.00 -0.65 3.17 3.38 -1.97 -1.71 115.31 121.46 3ita h LEU 61 Ca -0.43 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.54 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 0.43 0.00 -0.27 0.35 0.09 0.00 0.00 178.44 179.05 3ita n THR 62 N -4.31 0.00 -2.00 0.22 -2.24 -1.26 -1.19 114.28 103.50 3ita n THR 62 Ca 0.08 -0.17 -0.41 0.00 -2.27 0.00 0.00 64.05 61.28 3ita n THR 62 Cb 0.53 0.58 -0.02 0.00 -2.10 0.00 0.00 70.33 69.32 3ita n THR 62 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3ita s ASP 63 N -2.44 6.61 -0.20 3.42 1.01 -0.65 -4.79 116.67 119.64 3ita s ASP 63 Ca 0.25 2.80 -0.11 0.00 0.71 0.00 0.00 52.55 56.20 3ita s ASP 63 Cb 0.19 -2.65 -0.05 0.00 1.01 0.00 0.00 42.92 41.42 3ita s ASP 63 CO 0.51 -0.67 0.19 -0.04 0.21 0.00 0.00 175.17 175.36 3ita s MET 64 N -1.66 4.18 -0.13 8.23 -1.94 -1.26 -0.92 119.30 125.80 3ita s MET 64 Ca 0.52 -0.13 -0.03 0.00 -1.71 0.00 0.00 55.69 54.33 3ita s MET 64 Cb -0.42 -3.45 -0.03 0.00 2.01 0.00 0.00 34.83 32.94 3ita s MET 64 CO 0.55 0.22 0.00 0.08 -0.01 0.00 0.00 175.02 175.86 3ita s VAL 65 N 0.56 4.27 -0.28 -6.03 1.01 0.06 -4.88 120.40 115.11 3ita s VAL 65 Ca 0.10 -0.24 -0.24 0.00 0.00 0.00 0.00 61.98 61.60 3ita s VAL 65 Cb -0.12 -2.84 -0.00 0.00 0.00 0.00 0.00 36.38 33.41 3ita s VAL 65 CO 0.01 0.54 0.81 -0.89 0.00 0.00 0.00 175.10 175.58 3ita s THR 66 N -0.27 4.80 0.12 3.92 2.01 -1.26 -1.02 115.64 123.95 3ita s THR 66 Ca 0.06 1.34 -0.31 0.00 0.31 0.00 0.00 61.69 63.09 3ita s THR 66 Cb -0.12 -4.14 -0.08 0.00 0.01 0.00 0.00 72.50 68.16 3ita s THR 66 CO 0.02 -0.19 1.40 -0.69 -0.69 0.00 0.00 174.62 174.47 3ita s VAL 67 N 2.94 3.23 0.52 3.82 1.01 -0.60 -4.95 120.40 126.38 3ita s VAL 67 Ca 0.34 0.89 0.07 0.00 0.00 0.00 0.00 61.98 63.28 3ita s VAL 67 Cb -0.14 -3.57 0.05 0.00 0.00 0.00 0.00 36.38 32.72 3ita s VAL 67 CO 0.11 0.07 0.72 -0.83 0.00 0.00 0.00 175.10 175.17 3ita s GLY 68 N 1.07 1.83 0.53 4.51 0.00 -1.26 -1.59 107.32 112.41 3ita s GLY 68 Ca 0.65 -1.81 0.34 0.00 0.00 0.00 0.00 44.72 43.89 3ita s GLY 68 CO 0.31 -1.48 2.00 1.70 0.00 0.00 0.00 173.10 175.63 3ita h LYS 69 N 0.28 0.00 0.00 2.90 3.64 -1.96 -1.06 116.57 120.37 3ita h LYS 69 Ca -0.36 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.02 3ita h LYS 69 Cb 1.28 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.10 3ita h LYS 69 CO 0.44 0.00 0.00 -0.40 -2.27 0.00 0.00 179.45 177.22 3ita n ASP 70 N -2.98 0.08 -1.82 4.20 3.85 -1.26 -3.36 116.55 115.25 3ita n ASP 70 Ca 0.00 0.52 -0.11 0.00 -0.71 0.00 0.00 54.79 54.49 3ita n ASP 70 Cb 0.26 -0.54 0.24 0.00 -1.35 0.00 0.00 41.12 39.73 3ita n ASP 70 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3ita n ALA 71 N -1.53 4.78 -2.69 2.12 0.00 -0.40 -4.61 120.51 118.17 3ita n ALA 71 Ca 0.03 -2.71 -0.19 0.00 0.00 0.00 0.00 53.44 50.57 3ita n ALA 71 Cb 0.17 -1.17 -0.13 0.00 0.00 0.00 0.00 19.45 18.32 3ita n ALA 71 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 3ita s TRP 72 N -3.15 1.10 0.00 0.00 -0.00 -1.21 -4.57 118.94 111.11 3ita s TRP 72 Ca 0.53 -0.37 0.00 0.00 -0.00 0.00 0.00 56.10 56.25 3ita s TRP 72 Cb 0.44 -0.65 0.00 0.00 -0.00 0.00 0.00 33.47 33.26 3ita s TRP 72 CO 0.09 0.02 0.20 0.00 -0.00 0.00 0.00 176.95 177.26 3ita n ALA 73 N 1.81 0.00 0.27 5.86 0.00 -1.26 -2.42 120.51 124.77 3ita n ALA 73 Ca -0.19 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.07 3ita n ALA 73 Cb 0.55 0.10 -0.10 0.00 0.00 0.00 0.00 19.45 20.00 3ita n ALA 73 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 3ita h THR 74 N 0.00 0.03 -0.00 0.00 2.02 -1.97 -3.32 112.91 109.68 3ita h THR 74 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 3ita h THR 74 Cb 0.00 0.03 0.00 0.00 -1.74 0.00 0.00 68.15 66.44 3ita h THR 74 CO 0.00 0.00 -0.08 0.61 0.37 0.00 0.00 175.52 176.42 3ita n GLY 75 N -1.55 -1.14 2.69 2.16 0.00 -1.21 -4.04 105.19 102.10 3ita n GLY 75 Ca -0.11 -0.21 -0.30 0.00 0.00 0.00 0.00 46.02 45.40 3ita n GLY 75 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3ita s ASN 76 N -2.58 3.88 0.63 1.61 3.84 -1.01 -4.60 114.94 116.71 3ita s ASN 76 Ca 0.27 -1.68 0.33 0.00 0.21 0.00 0.00 52.86 51.99 3ita s ASN 76 Cb 0.20 -0.77 1.84 0.00 -0.55 0.00 0.00 41.25 41.97 3ita s ASN 76 CO 0.49 -0.40 2.10 -0.65 -2.79 0.00 0.00 177.10 175.85 3ita h PRO 77 N 8.00 0.00 0.00 0.43 0.11 -1.74 -2.59 132.00 136.20 3ita h PRO 77 Ca -0.13 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.97 3ita h PRO 77 Cb 1.01 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.11 3ita h PRO 77 CO 0.46 0.00 -0.05 0.00 -0.21 0.00 0.00 178.00 178.20 3ita h ALA 78 N 1.67 0.99 0.00 -0.75 0.00 -1.93 -2.51 119.26 116.73 3ita h ALA 78 Ca 0.04 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3ita h ALA 78 Cb 0.45 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3ita h ALA 78 CO -0.00 0.06 0.00 1.28 0.00 0.00 0.00 179.25 180.59 3ita n LEU 79 N -3.13 0.00 -4.57 0.00 4.77 -0.98 -4.84 117.00 108.25 3ita n LEU 79 Ca 0.02 0.10 -0.41 0.00 -0.03 0.00 0.00 56.01 55.69 3ita n LEU 79 Cb 0.42 -0.10 -0.03 0.00 -2.33 0.00 0.00 43.42 41.38 3ita n LEU 79 CO 0.31 -0.02 1.92 -1.14 -1.33 0.00 0.00 177.39 177.14 3ita n ARG 80 N -1.10 1.57 -3.44 3.23 3.00 -0.95 -1.55 116.66 117.42 3ita n ARG 80 Ca 0.17 0.32 -0.21 0.00 -0.00 0.00 0.00 57.85 58.13 3ita n ARG 80 Cb 0.13 -3.28 0.07 0.00 0.00 0.00 0.00 32.46 29.38 3ita n ARG 80 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3ita n GLY 81 N 5.90 -0.38 3.94 5.14 0.00 -1.26 -5.04 105.19 113.49 3ita n GLY 81 Ca 0.33 0.15 -0.19 0.00 0.00 0.00 0.00 46.02 46.31 3ita n GLY 81 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ita s SER 82 N -3.25 5.34 0.14 1.61 1.04 -0.59 -5.09 113.70 112.91 3ita s SER 82 Ca 0.51 -0.59 -0.32 0.00 0.48 0.00 0.00 55.95 56.03 3ita s SER 82 Cb -0.22 -0.62 -0.12 0.00 0.10 0.00 0.00 66.02 65.16 3ita s SER 82 CO 0.63 -0.70 1.76 -0.24 0.98 0.00 0.00 173.24 175.66 3ita n SER 83 N -1.69 3.82 -3.76 7.02 2.88 -1.26 -4.92 113.62 115.71 3ita n SER 83 Ca 0.06 1.03 -0.13 0.00 -1.33 0.00 0.00 58.87 58.49 3ita n SER 83 Cb 0.60 -1.52 -0.09 0.00 -0.75 0.00 0.00 64.21 62.45 3ita n SER 83 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 3ita s VAL 84 N 1.99 0.03 -0.79 2.46 1.01 -1.26 0.31 120.40 124.16 3ita s VAL 84 Ca 0.80 -0.29 0.26 0.00 0.00 0.00 0.00 61.98 62.76 3ita s VAL 84 Cb -0.54 -0.56 0.23 0.00 0.00 0.00 0.00 36.38 35.52 3ita s VAL 84 CO 0.37 -0.16 1.73 0.23 0.00 0.00 0.00 175.10 177.27 3ita n MET 85 N 1.93 0.20 -3.03 2.72 2.81 -1.26 -4.94 117.12 115.54 3ita n MET 85 Ca -0.18 0.14 -0.13 0.00 -1.81 0.00 0.00 57.70 55.72 3ita n MET 85 Cb 0.57 -1.71 0.06 0.00 -0.71 0.00 0.00 33.22 31.43 3ita n MET 85 CO 0.00 0.00 0.00 1.19 1.51 0.00 0.00 175.97 178.67 3ita n PHE 86 N -2.05 -1.84 -2.60 2.03 3.01 -1.26 -5.02 117.46 109.73 3ita n PHE 86 Ca 0.06 0.72 -0.35 0.00 1.01 0.00 0.00 57.45 58.89 3ita n PHE 86 Cb 0.41 -4.17 -0.04 0.00 -0.01 0.00 0.00 39.48 35.66 3ita n PHE 86 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 3ita s LEU 87 N -5.22 3.96 0.07 4.37 1.02 -1.26 -5.09 118.68 116.53 3ita s LEU 87 Ca 0.16 1.91 0.08 0.00 0.02 0.00 0.00 54.13 56.30 3ita s LEU 87 Cb -0.02 -4.44 -0.03 0.00 0.02 0.00 0.00 46.19 41.72 3ita s LEU 87 CO 0.58 -0.61 -0.20 -1.59 0.02 0.00 0.00 176.35 174.56 3ita s LYS 88 N -2.99 1.21 0.33 1.70 -2.85 -1.26 -4.57 119.74 111.31 3ita s LYS 88 Ca 0.63 -1.05 -0.26 0.00 -1.00 0.00 0.00 55.97 54.30 3ita s LYS 88 Cb -0.17 -1.39 -0.14 0.00 -2.06 0.00 0.00 37.83 34.08 3ita s LYS 88 CO 0.21 0.34 0.78 -2.30 0.10 0.00 0.00 175.35 174.48 3ita n PRO 89 N 1.43 0.88 0.00 1.78 -0.02 -1.26 -1.07 135.00 136.75 3ita n PRO 89 Ca -0.19 0.31 0.00 0.00 -2.02 0.00 0.00 63.50 61.61 3ita n PRO 89 Cb 0.54 -1.62 0.00 0.00 -0.02 0.00 0.00 33.50 32.40 3ita n PRO 89 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ita n GLY 90 N 1.52 2.98 3.62 -1.23 0.00 -0.62 -4.99 105.19 106.47 3ita n GLY 90 Ca 0.12 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.74 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 0.00 1.10 -4.32 1.61 8.00 -0.23 -4.74 116.55 117.97 3ita n ASP 91 Ca 0.00 0.92 -0.35 0.00 0.71 0.00 0.00 54.79 56.07 3ita n ASP 91 Cb 0.00 -1.38 -0.14 0.00 -0.02 0.00 0.00 41.12 39.58 3ita n ASP 91 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 3ita s GLN 92 N -2.39 3.39 -0.00 -1.24 -1.52 -1.26 -1.56 119.66 115.08 3ita s GLN 92 Ca 0.69 -0.62 0.02 0.00 -1.95 0.00 0.00 55.36 53.50 3ita s GLN 92 Cb -0.48 -3.02 -0.00 0.00 -0.22 0.00 0.00 33.01 29.29 3ita s GLN 92 CO 0.52 -0.19 -0.05 0.08 -0.25 0.00 0.00 175.29 175.40 3ita s VAL 93 N 1.47 0.43 0.64 1.09 1.01 -0.19 -4.89 120.40 119.96 3ita s VAL 93 Ca 0.06 -0.23 -0.15 0.00 0.00 0.00 0.00 61.98 61.65 3ita s VAL 93 Cb -0.14 -0.36 -0.01 0.00 0.00 0.00 0.00 36.38 35.86 3ita s VAL 93 CO -0.03 0.12 1.10 -0.94 0.00 0.00 0.00 175.10 175.35 3ita s SER 94 N -0.12 5.30 0.24 3.32 1.04 -1.26 -0.76 113.70 121.46 3ita s SER 94 Ca 0.02 1.96 -0.04 0.00 0.48 0.00 0.00 55.95 58.36 3ita s SER 94 Cb -0.02 -2.55 0.41 0.00 0.10 0.00 0.00 66.02 63.96 3ita s SER 94 CO -0.00 -1.50 1.79 0.58 0.98 0.00 0.00 173.24 175.09 3ita h VAL 95 N 0.16 0.85 -0.51 5.02 2.07 -1.02 -1.52 116.25 121.30 3ita h VAL 95 Ca -0.47 -0.24 0.06 0.00 0.82 0.00 0.00 66.70 66.87 3ita h VAL 95 Cb 1.24 0.09 -0.05 0.00 -1.52 0.00 0.00 31.29 31.04 3ita h VAL 95 CO 0.55 0.13 0.20 0.00 0.02 0.00 0.00 177.57 178.47 3ita h ALA 96 N 1.47 0.64 -0.29 1.67 0.00 -1.43 0.19 119.26 121.50 3ita h ALA 96 Ca 0.40 0.05 -0.08 0.00 0.00 0.00 0.00 54.91 55.29 3ita h ALA 96 Cb 0.43 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 3ita h ALA 96 CO -0.28 -0.18 -0.12 -0.44 0.00 0.00 0.00 179.25 178.23 3ita h ASP 97 N 0.40 0.61 -0.38 0.00 3.32 -1.73 -1.90 116.42 116.73 3ita h ASP 97 Ca 0.24 -0.40 -0.05 0.00 0.02 0.00 0.00 57.03 56.84 3ita h ASP 97 Cb 0.23 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.59 3ita h ASP 97 CO -0.23 0.87 0.06 -0.07 -1.72 0.00 0.00 179.24 178.16 3ita h LEU 98 N 0.35 0.68 -0.11 1.55 3.38 -0.91 -0.65 115.31 119.59 3ita h LEU 98 Ca 0.07 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 3ita h LEU 98 Cb 0.63 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.20 3ita h LEU 98 CO 0.04 0.71 0.04 -1.13 0.09 0.00 0.00 178.44 178.18 3ita h ASN 99 N 0.69 0.15 -0.38 -0.43 -1.24 -0.59 -0.78 115.58 113.00 3ita h ASN 99 Ca 0.15 -0.18 -0.03 0.00 0.71 0.00 0.00 56.30 56.95 3ita h ASN 99 Cb 0.33 -0.04 -0.02 0.00 0.73 0.00 0.00 38.32 39.32 3ita h ASN 99 CO 0.01 0.29 0.16 0.11 -1.29 0.00 0.00 177.43 176.70 3ita h LYS 100 N 0.00 0.63 -0.82 6.67 1.57 -1.16 -0.97 116.57 122.49 3ita h LYS 100 Ca 0.03 -0.09 0.01 0.00 -1.87 0.00 0.00 60.65 58.73 3ita h LYS 100 Cb 0.19 -0.11 -0.04 0.00 0.08 0.00 0.00 32.23 32.34 3ita h LYS 100 CO -0.00 0.53 0.54 0.78 -0.57 0.00 0.00 179.45 180.73 3ita h GLY 101 N 0.79 1.15 0.87 3.86 0.00 -0.63 0.22 103.07 109.32 3ita h GLY 101 Ca 0.15 -0.43 -0.01 0.00 0.00 0.00 0.00 47.33 47.03 3ita h GLY 101 CO -0.01 0.43 0.06 -2.08 0.00 0.00 0.00 176.54 174.93 3ita h VAL 102 N 1.11 1.18 0.02 4.60 2.07 -0.75 0.18 116.25 124.65 3ita h VAL 102 Ca 0.30 -0.55 -0.08 0.00 0.82 0.00 0.00 66.70 67.19 3ita h VAL 102 Cb -0.12 1.22 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 3ita h VAL 102 CO -0.06 0.17 -0.42 0.40 0.02 0.00 0.00 177.57 177.68 3ita h ILE 103 N 0.11 1.54 0.05 4.57 2.04 -0.92 -2.42 117.51 122.49 3ita h ILE 103 Ca 0.06 -2.33 -0.27 0.00 1.00 0.00 0.00 64.86 63.32 3ita h ILE 103 Cb 0.21 3.09 -0.03 0.00 -0.74 0.00 0.00 36.82 39.36 3ita h ILE 103 CO -0.00 0.56 -1.44 0.40 0.00 0.00 0.00 178.15 177.66 3ita h ILE 104 N -0.91 0.87 0.00 -0.67 2.04 -0.75 -3.37 117.51 114.72 3ita h ILE 104 Ca -0.10 -2.25 0.00 0.00 1.00 0.00 0.00 64.86 63.51 3ita h ILE 104 Cb 1.16 2.37 0.00 0.00 -0.74 0.00 0.00 36.82 39.62 3ita h ILE 104 CO -0.03 0.52 -1.11 1.67 0.00 0.00 0.00 178.15 179.20 3ita n GLN 105 N -4.13 0.60 -3.73 2.37 7.27 -1.16 -4.28 117.38 114.32 3ita n GLN 105 Ca -0.31 0.09 -0.25 0.00 0.07 0.00 0.00 57.00 56.59 3ita n GLN 105 Cb 0.80 -1.79 0.05 0.00 2.41 0.00 0.00 30.24 31.71 3ita n GLN 105 CO 0.00 0.00 0.00 0.43 0.07 0.00 0.00 177.06 177.56 3ita n SER 106 N -2.62 -4.47 -4.70 1.69 7.64 0.36 -4.90 113.62 106.62 3ita n SER 106 Ca -0.00 -0.69 -0.42 0.00 1.01 0.00 0.00 58.87 58.76 3ita n SER 106 Cb 0.55 -4.41 -0.03 0.00 -1.01 0.00 0.00 64.21 59.31 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 -3.59 2.59 0.19 0.23 0.00 0.29 -4.72 107.32 102.30 3ita s GLY 107 Ca 0.47 0.62 0.02 0.00 0.00 0.00 0.00 44.72 45.83 3ita s GLY 107 CO 0.78 1.89 1.44 3.43 0.00 0.00 0.00 173.10 180.64 3ita h ASN 108 N 6.92 0.31 -0.46 1.64 2.35 -0.48 -2.78 115.58 123.08 3ita h ASN 108 Ca -0.39 -0.22 -0.11 0.00 -0.55 0.00 0.00 56.30 55.02 3ita h ASN 108 Cb 1.20 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 39.46 3ita h ASN 108 CO 0.80 0.97 -0.14 -2.24 -1.65 0.00 0.00 177.43 175.16 3ita h ASP 109 N 0.16 0.95 -0.93 5.81 2.03 -1.88 -2.66 116.42 119.90 3ita h ASP 109 Ca -0.03 -0.32 0.01 0.00 -0.73 0.00 0.00 57.03 55.96 3ita h ASP 109 Cb 1.35 -0.26 -0.05 0.00 -0.83 0.00 0.00 39.33 39.55 3ita h ASP 109 CO 0.12 1.09 0.62 0.00 -1.03 0.00 0.00 179.24 180.04 3ita h ALA 110 N 0.99 1.34 -0.57 4.15 0.00 -1.86 -0.80 119.26 122.52 3ita h ALA 110 Ca 0.13 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.02 3ita h ALA 110 Cb 0.69 -0.37 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 3ita h ALA 110 CO 0.05 0.61 0.31 0.00 0.00 0.00 0.00 179.25 180.22 3ita h ILE 112 N 0.60 1.31 -0.90 0.00 2.04 -1.06 0.32 117.51 119.82 3ita h ILE 112 Ca 0.25 -1.17 0.01 0.00 1.00 0.00 0.00 64.86 64.95 3ita h ILE 112 Cb 0.11 1.65 -0.04 0.00 -0.74 0.00 0.00 36.82 37.80 3ita h ILE 112 CO -0.15 0.35 0.59 0.00 0.00 0.00 0.00 178.15 178.95 3ita h ALA 113 N 0.70 1.34 -0.22 1.87 0.00 -1.01 -1.08 119.26 120.85 3ita h ALA 113 Ca 0.04 -0.07 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 3ita h ALA 113 Cb 0.59 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 3ita h ALA 113 CO 0.03 0.61 -0.24 -0.07 0.00 0.00 0.00 179.25 179.58 3ita h LEU 114 N 1.23 0.59 -0.52 0.00 3.38 -1.03 -2.42 115.31 116.54 3ita h LEU 114 Ca 0.33 -0.49 0.04 0.00 0.09 0.00 0.00 57.88 57.85 3ita h LEU 114 Cb -0.12 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.42 3ita h LEU 114 CO -0.07 0.95 0.28 0.00 0.09 0.00 0.00 178.44 179.70 3ita h ALA 115 N 0.65 0.66 -0.65 1.53 0.00 -0.66 0.29 119.26 121.08 3ita h ALA 115 Ca 0.03 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 3ita h ALA 115 Cb 0.80 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 3ita h ALA 115 CO 0.06 -0.04 0.25 -0.44 0.00 0.00 0.00 179.25 179.07 3ita h ASP 116 N 0.55 0.88 -0.14 0.00 3.32 -1.24 -0.52 116.42 119.28 3ita h ASP 116 Ca 0.22 -0.13 -0.09 0.00 0.02 0.00 0.00 57.03 57.05 3ita h ASP 116 Cb 0.09 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.41 3ita h ASP 116 CO -0.13 0.80 -0.27 0.22 -1.72 0.00 0.00 179.24 178.14 3ita h TYR 117 N 0.94 0.53 -0.23 4.55 3.20 -0.69 -0.37 116.97 124.90 3ita h TYR 117 Ca 0.22 -0.19 -0.03 0.00 3.14 0.00 0.00 58.73 61.87 3ita h TYR 117 Cb 0.20 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.36 3ita h TYR 117 CO 0.02 0.89 0.03 0.28 -1.64 0.00 0.00 178.16 177.73 3ita h VAL 118 N 0.02 1.24 0.00 1.81 2.07 -0.41 -3.39 116.25 117.59 3ita h VAL 118 Ca 0.01 -0.80 0.00 0.00 0.82 0.00 0.00 66.70 66.73 3ita h VAL 118 Cb 0.85 1.31 0.00 0.00 -1.52 0.00 0.00 31.29 31.94 3ita h VAL 118 CO 0.06 0.25 0.00 0.00 0.02 0.00 0.00 177.57 177.90 3ita n ALA 119 N -2.32 2.12 0.00 1.67 0.00 -0.21 -5.02 120.51 116.76 3ita n ALA 119 Ca -0.04 -0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.13 3ita n ALA 119 Cb 0.21 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.66 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 0.37 2.88 3.45 0.00 0.00 -0.15 -4.62 105.19 107.12 3ita n GLY 120 Ca 0.00 -0.08 -0.11 0.00 0.00 0.00 0.00 46.02 45.82 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 0.71 -0.47 0.22 1.61 1.04 -1.26 -4.80 113.70 110.76 3ita s SER 121 Ca 0.00 -0.14 -0.09 0.00 0.48 0.00 0.00 55.95 56.20 3ita s SER 121 Cb 0.00 0.59 0.19 0.00 0.10 0.00 0.00 66.02 66.90 3ita s SER 121 CO 0.00 -0.99 1.89 1.56 0.98 0.00 0.00 173.24 176.68 3ita h GLN 122 N 2.07 1.05 -0.77 4.02 4.20 -1.91 -1.96 115.11 121.82 3ita h GLN 122 Ca -0.32 -0.06 -0.00 0.00 0.06 0.00 0.00 58.65 58.32 3ita h GLN 122 Cb 1.29 -0.24 -0.04 0.00 0.30 0.00 0.00 27.48 28.80 3ita h GLN 122 CO 0.38 0.70 0.46 1.49 -0.67 0.00 0.00 178.83 181.19 3ita h GLU 123 N 1.09 1.04 -0.08 1.46 4.81 -1.96 -0.05 114.58 120.89 3ita h GLU 123 Ca 0.30 -0.10 -0.21 0.00 -0.13 0.00 0.00 59.36 59.22 3ita h GLU 123 Cb -0.10 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 29.06 3ita h GLU 123 CO -0.07 0.74 -0.82 0.77 -0.73 0.00 0.00 179.01 178.90 3ita h SER 124 N 1.05 0.71 -0.54 1.04 0.02 -1.83 -2.50 113.55 111.49 3ita h SER 124 Ca 0.28 -0.49 0.02 0.00 -0.84 0.00 0.00 61.79 60.75 3ita h SER 124 Cb -0.04 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 62.26 3ita h SER 124 CO -0.05 1.27 0.34 0.15 -1.14 0.00 0.00 176.83 177.40 3ita h PHE 125 N 0.38 0.64 -0.62 3.45 3.57 -1.15 -2.54 116.94 120.66 3ita h PHE 125 Ca -0.06 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.46 3ita h PHE 125 Cb 1.43 -0.21 -0.03 0.00 2.79 0.00 0.00 35.95 39.93 3ita h PHE 125 CO 0.07 0.38 0.39 0.82 -2.23 0.00 0.00 178.31 177.74 3ita h ILE 126 N 0.68 1.17 -0.54 1.41 2.04 -0.93 -0.70 117.51 120.64 3ita h ILE 126 Ca 0.21 -0.33 0.10 0.00 1.00 0.00 0.00 64.86 65.84 3ita h ILE 126 Cb -0.01 0.27 -0.08 0.00 -0.74 0.00 0.00 36.82 36.26 3ita h ILE 126 CO -0.08 0.17 0.07 1.23 0.00 0.00 0.00 178.15 179.54 3ita h GLY 127 N 0.86 0.63 1.00 5.37 0.00 -1.22 -0.09 103.07 109.62 3ita h GLY 127 Ca 0.22 0.01 -0.07 0.00 0.00 0.00 0.00 47.33 47.49 3ita h GLY 127 CO -0.05 -0.12 0.02 1.41 0.00 0.00 0.00 176.54 177.81 3ita h LEU 128 N 0.20 0.82 -0.32 3.11 3.38 -0.83 -0.35 115.31 121.33 3ita h LEU 128 Ca 0.28 -0.30 0.05 0.00 0.09 0.00 0.00 57.88 58.00 3ita h LEU 128 Cb 0.41 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.89 3ita h LEU 128 CO -0.39 0.92 0.04 0.24 0.09 0.00 0.00 178.44 179.33 3ita h MET 129 N 0.71 0.14 0.00 1.13 2.86 -0.73 -1.04 114.93 118.00 3ita h MET 129 Ca 0.14 -0.01 -0.10 0.00 -2.06 0.00 0.00 59.70 57.67 3ita h MET 129 Cb 0.48 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.10 3ita h MET 129 CO 0.02 0.09 -0.49 -0.91 1.06 0.00 0.00 176.91 176.68 3ita h ASN 130 N 0.14 0.00 -0.27 1.22 2.35 -0.83 -0.69 115.58 117.50 3ita h ASN 130 Ca 0.15 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.89 3ita h ASN 130 Cb 0.18 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.53 3ita h ASN 130 CO -0.22 0.49 0.15 1.23 -1.65 0.00 0.00 177.43 177.43 3ita h GLY 131 N 1.78 0.41 1.60 2.83 0.00 -0.59 -1.12 103.07 107.97 3ita h GLY 131 Ca -0.00 -0.19 -0.13 0.00 0.00 0.00 0.00 47.33 47.00 3ita h GLY 131 CO 0.06 0.18 -0.46 -0.97 0.00 0.00 0.00 176.54 175.36 3ita h TYR 132 N 0.33 0.53 -0.54 5.60 0.05 -1.02 -1.15 116.97 120.76 3ita h TYR 132 Ca 0.10 -0.16 0.04 0.00 0.05 0.00 0.00 58.73 58.76 3ita h TYR 132 Cb 0.07 -0.11 -0.05 0.00 1.01 0.00 0.00 36.73 37.66 3ita h TYR 132 CO -0.03 0.82 0.29 0.00 -1.05 0.00 0.00 178.16 178.19 3ita h ALA 133 N 1.15 0.70 -0.37 3.88 0.00 -0.85 0.12 119.26 123.90 3ita h ALA 133 Ca 0.02 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 3ita h ALA 133 Cb 0.94 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 3ita h ALA 133 CO 0.08 -0.05 0.03 -0.22 0.00 0.00 0.00 179.25 179.09 3ita h LYS 134 N 0.56 0.63 -0.54 0.00 1.63 -0.88 -0.73 116.57 117.24 3ita h LYS 134 Ca 0.24 -0.19 0.00 0.00 -0.85 0.00 0.00 60.65 59.86 3ita h LYS 134 Cb 0.13 -0.07 -0.03 0.00 -0.60 0.00 0.00 32.23 31.67 3ita h LYS 134 CO -0.15 0.72 0.36 -0.22 -3.45 0.00 0.00 179.45 176.70 3ita h LYS 135 N 0.46 0.72 -0.15 1.90 3.64 -0.63 -2.21 116.57 120.30 3ita h LYS 135 Ca 0.11 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 3ita h LYS 135 Cb 0.41 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.07 3ita h LYS 135 CO 0.01 0.48 0.00 1.28 -2.27 0.00 0.00 179.45 178.95 3ita n LEU 136 N -4.45 1.72 -1.47 5.20 4.77 0.35 -4.91 117.00 118.22 3ita n LEU 136 Ca 0.05 -0.70 -0.11 0.00 -0.03 0.00 0.00 56.01 55.22 3ita n LEU 136 Cb 0.05 -0.09 0.01 0.00 -2.33 0.00 0.00 43.42 41.06 3ita n LEU 136 CO 0.36 0.35 -0.06 0.61 -1.33 0.00 0.00 177.39 177.31 3ita n GLY 137 N 1.16 -0.00 3.53 -0.72 0.00 -0.83 -4.94 105.19 103.38 3ita n GLY 137 Ca 0.17 -0.37 -0.43 0.00 0.00 0.00 0.00 46.02 45.38 3ita n GLY 137 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ita s LEU 138 N -3.41 4.36 0.42 0.99 1.43 -0.30 -4.80 118.68 117.37 3ita s LEU 138 Ca 0.08 -2.65 0.28 0.00 -1.03 0.00 0.00 54.13 50.81 3ita s LEU 138 Cb -0.04 -2.50 0.92 0.00 0.03 0.00 0.00 46.19 44.60 3ita s LEU 138 CO 0.10 -1.00 1.80 0.71 0.23 0.00 0.00 176.35 178.19 3ita h THR 139 N 5.22 0.00 -0.29 5.49 1.35 -1.92 -2.62 112.91 120.13 3ita h THR 139 Ca 0.38 -0.61 -0.03 0.00 -0.55 0.00 0.00 66.41 65.61 3ita h THR 139 Cb 0.88 1.56 -0.02 0.00 -1.73 0.00 0.00 68.15 68.84 3ita h THR 139 CO 1.36 0.00 0.00 0.59 -0.25 0.00 0.00 175.52 177.23 3ita n ASN 140 N -2.83 3.79 -4.34 5.36 3.02 -1.26 -5.01 115.26 113.99 3ita n ASN 140 Ca 0.03 -3.11 -0.32 0.00 -0.03 0.00 0.00 54.58 51.14 3ita n ASN 140 Cb 0.38 -0.57 -0.15 0.00 -0.61 0.00 0.00 39.78 38.83 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 -2.89 2.62 -0.05 3.41 2.01 -0.99 -3.81 115.64 115.94 3ita s THR 141 Ca 0.43 -0.84 -0.02 0.00 0.31 0.00 0.00 61.69 61.57 3ita s THR 141 Cb 0.35 -2.03 0.04 0.00 0.01 0.00 0.00 72.50 70.87 3ita s THR 141 CO 0.08 0.56 0.10 -0.89 -0.69 0.00 0.00 174.62 173.78 3ita s THR 142 N -0.04 -0.11 -0.03 -0.82 2.01 -0.56 -4.91 115.64 111.17 3ita s THR 142 Ca -0.05 0.28 -0.05 0.00 0.31 0.00 0.00 61.69 62.19 3ita s THR 142 Cb -0.14 -0.19 -0.04 0.00 0.01 0.00 0.00 72.50 72.13 3ita s THR 142 CO 0.04 0.12 0.19 -0.36 -0.69 0.00 0.00 174.62 173.92 3ita s PHE 143 N 1.60 3.57 0.00 4.92 0.08 -1.26 -1.92 117.98 124.97 3ita s PHE 143 Ca -0.04 0.44 0.00 0.00 0.12 0.00 0.00 56.93 57.46 3ita s PHE 143 Cb -0.12 -1.89 0.00 0.00 -0.57 0.00 0.00 43.02 40.44 3ita s PHE 143 CO -0.05 0.66 0.48 1.04 -0.10 0.00 0.00 175.22 177.26 3ita n GLN 144 N 1.23 -0.43 -3.89 0.44 1.13 -1.26 -4.90 117.38 109.70 3ita n GLN 144 Ca -0.13 -0.53 -0.09 0.00 -1.94 0.00 0.00 57.00 54.30 3ita n GLN 144 Cb 0.53 -0.92 -0.07 0.00 0.11 0.00 0.00 30.24 29.89 3ita n GLN 144 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 3ita s THR 145 N -0.10 0.12 -1.05 5.09 -4.23 -1.26 -5.05 115.64 109.16 3ita s THR 145 Ca 0.00 -1.24 0.26 0.00 -1.18 0.00 0.00 61.69 59.53 3ita s THR 145 Cb 0.00 -1.50 0.06 0.00 1.34 0.00 0.00 72.50 72.41 3ita s THR 145 CO 0.00 -0.53 1.51 1.33 -0.54 0.00 0.00 174.62 176.39 3ita n VAL 146 N -0.11 0.00 -0.02 2.29 0.24 -1.26 -4.34 118.33 115.13 3ita n VAL 146 Ca -0.13 -0.01 0.00 0.00 -2.04 0.00 0.00 64.34 62.17 3ita n VAL 146 Cb 0.63 0.13 0.00 0.00 -1.47 0.00 0.00 33.84 33.12 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 -1.45 0.00 -1.21 6.34 -0.00 -1.26 -4.75 115.22 112.89 3ita n HIS 147 Ca 0.06 0.00 -0.01 0.00 -0.00 0.00 0.00 57.72 57.77 3ita n HIS 147 Cb 0.34 0.00 -0.00 0.00 -0.00 0.00 0.00 29.99 30.32 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 0.70 0.45 3.71 -1.39 0.00 -1.26 -4.66 105.19 102.74 3ita n GLY 148 Ca 0.00 -1.00 -0.42 0.00 0.00 0.00 0.00 46.02 44.60 3ita n GLY 148 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ita s LEU 149 N -0.29 4.37 0.22 0.99 1.43 -1.26 -3.19 118.68 120.95 3ita s LEU 149 Ca 0.00 2.53 -0.28 0.00 -1.03 0.00 0.00 54.13 55.35 3ita s LEU 149 Cb 0.00 -3.58 -0.16 0.00 0.03 0.00 0.00 46.19 42.48 3ita s LEU 149 CO 0.00 -0.82 0.66 0.47 0.23 0.00 0.00 176.35 176.88 3ita n ASP 150 N 4.50 -0.55 -3.48 2.29 8.00 -1.26 -4.90 116.55 121.14 3ita n ASP 150 Ca 0.14 1.14 -0.14 0.00 0.71 0.00 0.00 54.79 56.64 3ita n ASP 150 Cb 0.40 -1.04 -0.04 0.00 -0.02 0.00 0.00 41.12 40.41 3ita n ASP 150 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ita s ALA 151 N -1.00 -1.72 0.19 2.24 0.00 -1.26 -5.12 121.76 115.09 3ita s ALA 151 Ca 0.63 1.00 -0.30 0.00 0.00 0.00 0.00 51.96 53.28 3ita s ALA 151 Cb -0.87 0.32 -0.09 0.00 0.00 0.00 0.00 23.12 22.48 3ita s ALA 151 CO 0.57 -0.54 1.33 -1.25 0.00 0.00 0.00 175.76 175.87 3ita s PRO 152 N -2.31 4.37 -0.27 0.00 0.04 -1.26 -2.96 135.00 132.60 3ita s PRO 152 Ca -0.04 2.08 0.00 0.00 0.04 0.00 0.00 61.00 63.07 3ita s PRO 152 Cb -0.00 -3.20 0.00 0.00 0.04 0.00 0.00 34.50 31.34 3ita s PRO 152 CO -0.01 -0.29 0.00 0.41 0.04 0.00 0.00 177.00 177.15 3ita n GLY 153 N 2.52 0.58 3.41 0.56 0.00 -1.26 -4.92 105.19 106.08 3ita n GLY 153 Ca 0.07 -0.89 -0.37 0.00 0.00 0.00 0.00 46.02 44.83 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 -2.10 3.44 0.03 1.61 0.74 -1.16 -4.75 119.66 117.47 3ita s GLN 154 Ca 0.00 -0.63 -0.07 0.00 0.05 0.00 0.00 55.36 54.71 3ita s GLN 154 Cb 0.00 -3.37 -0.00 0.00 1.10 0.00 0.00 33.01 30.73 3ita s GLN 154 CO 0.00 -0.30 0.14 -0.06 -0.55 0.00 0.00 175.29 174.52 3ita s PHE 155 N 1.58 0.12 0.08 1.67 0.40 -0.81 -3.95 117.98 117.08 3ita s PHE 155 Ca 0.05 -0.37 -0.03 0.00 -0.60 0.00 0.00 56.93 55.98 3ita s PHE 155 Cb -0.16 -0.09 0.01 0.00 0.51 0.00 0.00 43.02 43.30 3ita s PHE 155 CO 0.04 -0.38 0.17 0.45 0.70 0.00 0.00 175.22 176.19 3ita n SER 156 N 0.83 -0.48 -4.15 1.36 2.88 0.32 -1.50 113.62 112.88 3ita n SER 156 Ca -0.19 -1.34 -0.10 0.00 -1.33 0.00 0.00 58.87 55.91 3ita n SER 156 Cb 0.58 0.80 -0.10 0.00 -0.75 0.00 0.00 64.21 64.75 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 -2.80 0.08 0.15 2.46 -4.23 -1.26 -1.35 115.64 108.69 3ita s THR 157 Ca 0.03 -1.91 -0.16 0.00 -1.18 0.00 0.00 61.69 58.47 3ita s THR 157 Cb -0.01 -2.13 0.03 0.00 1.34 0.00 0.00 72.50 71.72 3ita s THR 157 CO 0.03 -0.36 1.74 0.00 -0.54 0.00 0.00 174.62 175.48 3ita h ALA 158 N 2.80 0.38 -0.40 3.99 0.00 -1.77 -0.70 119.26 123.57 3ita h ALA 158 Ca -0.35 0.06 0.07 0.00 0.00 0.00 0.00 54.91 54.69 3ita h ALA 158 Cb 1.21 0.07 -0.06 0.00 0.00 0.00 0.00 17.79 19.00 3ita h ALA 158 CO 0.57 -0.32 -0.01 -0.09 0.00 0.00 0.00 179.25 179.41 3ita h ARG 159 N 0.21 0.09 -0.08 0.00 2.43 -1.61 -1.50 114.38 113.92 3ita h ARG 159 Ca 0.16 -0.01 -0.11 0.00 -0.81 0.00 0.00 59.98 59.22 3ita h ARG 159 Cb 0.17 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.69 3ita h ARG 159 CO -0.20 0.06 -0.44 -0.44 -1.51 0.00 0.00 179.97 177.44 3ita h ASP 160 N 0.10 0.20 -0.19 -3.80 3.45 -1.73 -1.22 116.42 113.23 3ita h ASP 160 Ca 0.19 -0.09 -0.11 0.00 0.43 0.00 0.00 57.03 57.46 3ita h ASP 160 Cb 0.28 -0.06 -0.01 0.00 -0.56 0.00 0.00 39.33 38.98 3ita h ASP 160 CO -0.33 0.62 -0.24 0.24 -1.57 0.00 0.00 179.24 177.96 3ita h MET 161 N 0.16 0.65 -0.35 3.56 2.86 -0.68 0.60 114.93 121.74 3ita h MET 161 Ca 0.01 -0.26 -0.17 0.00 -2.06 0.00 0.00 59.70 57.22 3ita h MET 161 Cb 0.84 -0.03 -0.00 0.00 0.06 0.00 0.00 31.60 32.47 3ita h MET 161 CO 0.07 0.84 -0.44 0.00 1.06 0.00 0.00 176.91 178.43 3ita h ALA 162 N 1.16 0.54 -0.88 6.32 0.00 -0.78 0.12 119.26 125.74 3ita h ALA 162 Ca 0.08 -0.48 -0.02 0.00 0.00 0.00 0.00 54.91 54.50 3ita h ALA 162 Cb 0.72 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.36 3ita h ALA 162 CO 0.06 0.68 0.49 -0.07 0.00 0.00 0.00 179.25 180.41 3ita h LEU 163 N 0.74 1.09 -0.41 0.00 3.38 -1.08 -0.60 115.31 118.42 3ita h LEU 163 Ca 0.04 -0.09 -0.09 0.00 0.09 0.00 0.00 57.88 57.83 3ita h LEU 163 Cb 1.05 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 3ita h LEU 163 CO 0.11 0.87 -0.10 0.25 0.09 0.00 0.00 178.44 179.66 3ita h LEU 164 N 1.22 0.80 -0.45 1.67 5.85 -0.62 -2.11 115.31 121.68 3ita h LEU 164 Ca 0.31 -0.36 0.07 0.00 0.84 0.00 0.00 57.88 58.74 3ita h LEU 164 Cb 0.01 -0.22 -0.06 0.00 0.37 0.00 0.00 40.66 40.76 3ita h LEU 164 CO -0.05 0.98 0.08 1.23 -0.34 0.00 0.00 178.44 180.34 3ita h GLY 165 N 0.62 0.52 0.74 3.75 0.00 -0.58 -0.48 103.07 107.64 3ita h GLY 165 Ca 0.10 -0.01 0.05 0.00 0.00 0.00 0.00 47.33 47.48 3ita h GLY 165 CO 0.04 -0.06 0.49 1.70 0.00 0.00 0.00 176.54 178.71 3ita h LYS 166 N 0.20 0.88 -0.53 4.80 3.64 -1.00 -1.45 116.57 123.12 3ita h LYS 166 Ca 0.22 -0.05 -0.12 0.00 -1.27 0.00 0.00 60.65 59.43 3ita h LYS 166 Cb 0.29 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 31.89 3ita h LYS 166 CO -0.30 0.58 -0.15 0.00 -2.27 0.00 0.00 179.45 177.32 3ita h ALA 167 N 1.38 0.74 -0.23 5.00 0.00 -0.77 -0.73 119.26 124.65 3ita h ALA 167 Ca 0.34 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3ita h ALA 167 Cb 0.14 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3ita h ALA 167 CO -0.16 0.68 0.11 1.25 0.00 0.00 0.00 179.25 181.12 3ita h LEU 168 N 0.90 0.30 -0.42 0.00 5.85 -0.69 0.23 115.31 121.48 3ita h LEU 168 Ca 0.13 -0.13 0.03 0.00 0.84 0.00 0.00 57.88 58.75 3ita h LEU 168 Cb 0.72 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.64 3ita h LEU 168 CO 0.06 0.34 0.22 0.40 -0.34 0.00 0.00 178.44 179.12 3ita h ILE 169 N 0.23 1.00 0.09 4.05 2.04 -1.08 -2.65 117.51 121.19 3ita h ILE 169 Ca 0.08 -0.15 -0.21 0.00 1.00 0.00 0.00 64.86 65.58 3ita h ILE 169 Cb 0.12 0.51 0.02 0.00 -0.74 0.00 0.00 36.82 36.74 3ita h ILE 169 CO -0.01 0.08 -0.86 -0.74 0.00 0.00 0.00 178.15 176.62 3ita h HIS 170 N 0.45 0.69 0.09 1.37 2.76 -0.94 -3.33 115.15 116.24 3ita h HIS 170 Ca 0.17 -0.44 -0.34 0.00 -2.20 0.00 0.00 60.37 57.57 3ita h HIS 170 Cb 0.06 -0.05 -0.03 0.00 1.55 0.00 0.00 27.41 28.94 3ita h HIS 170 CO -0.09 1.30 -1.85 -0.44 -1.30 0.00 0.00 177.93 175.55 3ita h ASP 171 N -0.11 0.28 -2.13 3.26 3.32 -0.58 -3.39 116.42 117.08 3ita h ASP 171 Ca -0.13 -0.61 -0.58 0.00 0.02 0.00 0.00 57.03 55.74 3ita h ASP 171 Cb 1.61 -0.09 -0.41 0.00 0.22 0.00 0.00 39.33 40.66 3ita h ASP 171 CO 0.16 1.54 -0.82 1.33 -1.72 0.00 0.00 179.24 179.74 3ita n VAL 172 N -3.34 1.26 0.23 -1.35 0.24 -1.00 -4.97 118.33 109.40 3ita n VAL 172 Ca -0.25 -4.83 0.06 0.00 -2.04 0.00 0.00 64.34 57.28 3ita n VAL 172 Cb 1.05 -1.81 0.55 0.00 -1.47 0.00 0.00 33.84 32.15 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 3.87 0.02 -0.31 7.34 0.13 -1.68 -0.85 132.00 140.51 3ita h PRO 173 Ca 0.14 -0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.22 3ita h PRO 173 Cb 0.74 -0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.85 3ita h PRO 173 CO 0.69 0.13 -0.01 0.93 -0.23 0.00 0.00 178.00 179.51 3ita h GLU 174 N 0.02 0.48 -0.19 0.86 5.08 -1.91 0.09 114.58 119.01 3ita h GLU 174 Ca 0.00 -0.10 -0.21 0.00 -1.00 0.00 0.00 59.36 58.05 3ita h GLU 174 Cb 0.20 -0.07 0.01 0.00 0.50 0.00 0.00 28.75 29.39 3ita h GLU 174 CO 0.01 0.52 -0.72 1.49 -1.00 0.00 0.00 179.01 179.31 3ita h GLU 175 N 0.46 0.81 -0.83 2.33 4.57 -1.57 -3.17 114.58 117.18 3ita h GLU 175 Ca 0.10 -0.62 -0.04 0.00 -1.18 0.00 0.00 59.36 57.63 3ita h GLU 175 Cb 0.32 0.12 -0.04 0.00 -0.16 0.00 0.00 28.75 28.99 3ita h GLU 175 CO 0.01 1.23 0.38 -0.92 -1.18 0.00 0.00 179.01 178.53 3ita h TYR 176 N 0.57 1.21 -0.48 0.92 3.20 -0.76 -2.66 116.97 118.97 3ita h TYR 176 Ca -0.04 -0.07 0.14 0.00 3.14 0.00 0.00 58.73 61.91 3ita h TYR 176 Cb 1.34 -0.37 -0.02 0.00 1.54 0.00 0.00 36.73 39.22 3ita h TYR 176 CO 0.08 0.89 0.38 0.00 -1.64 0.00 0.00 178.16 177.87 3ita h ALA 177 N 1.22 2.38 0.00 1.82 0.00 -0.96 0.68 119.26 124.41 3ita h ALA 177 Ca 0.28 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.15 3ita h ALA 177 Cb 0.15 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 3ita h ALA 177 CO -0.03 -0.63 -0.11 0.82 0.00 0.00 0.00 179.25 179.30 3ita h ILE 178 N 0.00 0.27 0.00 0.00 2.04 -1.55 -3.20 117.51 115.07 3ita h ILE 178 Ca 0.23 -0.90 0.00 0.00 1.00 0.00 0.00 64.86 65.19 3ita h ILE 178 Cb 0.98 1.72 0.00 0.00 -0.74 0.00 0.00 36.82 38.78 3ita h ILE 178 CO -0.00 0.11 0.00 0.45 0.00 0.00 0.00 178.15 178.71 3ita h HIS 179 N 0.00 0.00 -0.01 1.37 3.86 -0.97 -2.01 115.15 117.38 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 0.71 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.18 3ita h HIS 179 CO 0.00 0.00 -0.17 0.36 0.86 0.00 0.00 177.93 178.98 3ita n LYS 180 N -2.41 0.94 -2.12 2.45 2.85 -1.16 -4.50 118.16 114.21 3ita n LYS 180 Ca 0.01 -0.49 -0.42 0.00 -1.05 0.00 0.00 58.31 56.36 3ita n LYS 180 Cb 0.22 -1.49 -0.03 0.00 -0.65 0.00 0.00 35.03 33.08 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 -2.39 4.25 0.44 -1.58 2.02 -0.76 -4.90 118.70 115.78 3ita s GLU 181 Ca 0.29 2.08 0.24 0.00 0.02 0.00 0.00 54.97 57.60 3ita s GLU 181 Cb 0.20 -3.62 0.53 0.00 0.10 0.00 0.00 34.13 31.33 3ita s GLU 181 CO 0.47 -0.65 1.67 0.87 0.02 0.00 0.00 175.26 177.64 3ita h LYS 182 N 8.13 0.00 -3.38 1.61 1.57 -1.91 -3.41 116.57 119.19 3ita h LYS 182 Ca -0.39 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.34 3ita h LYS 182 Cb 1.18 0.00 -0.12 0.00 0.08 0.00 0.00 32.23 33.37 3ita h LYS 182 CO 0.92 0.07 -0.05 -1.83 -0.57 0.00 0.00 179.45 177.99 3ita s GLU 183 N -3.29 1.14 0.12 3.15 -1.05 -1.26 -0.56 118.70 116.95 3ita s GLU 183 Ca 0.05 -0.74 -0.10 0.00 -0.15 0.00 0.00 54.97 54.03 3ita s GLU 183 Cb 0.06 0.48 0.00 0.00 -0.44 0.00 0.00 34.13 34.24 3ita s GLU 183 CO 0.65 -0.45 0.26 -0.59 0.95 0.00 0.00 175.26 176.08 3ita s PHE 184 N -3.82 0.18 -0.16 4.83 -0.71 -0.32 -4.94 117.98 113.04 3ita s PHE 184 Ca 0.04 -0.57 -0.02 0.00 -1.04 0.00 0.00 56.93 55.35 3ita s PHE 184 Cb 0.01 0.00 -0.01 0.00 -1.21 0.00 0.00 43.02 41.81 3ita s PHE 184 CO -0.10 -0.64 -0.10 0.99 -1.34 0.00 0.00 175.22 174.03 3ita s THR 185 N -3.89 3.23 -0.01 -4.49 2.01 -1.26 -0.21 115.64 111.02 3ita s THR 185 Ca 0.09 -0.58 0.02 0.00 0.31 0.00 0.00 61.69 61.52 3ita s THR 185 Cb 0.04 -2.40 0.00 0.00 0.01 0.00 0.00 72.50 70.16 3ita s THR 185 CO -0.07 0.50 -0.05 0.12 -0.69 0.00 0.00 174.62 174.43 3ita s PHE 186 N 0.62 0.55 -1.61 4.92 5.36 -0.79 -4.79 117.98 122.24 3ita s PHE 186 Ca -0.06 -0.11 -0.15 0.00 -0.96 0.00 0.00 56.93 55.66 3ita s PHE 186 Cb -0.15 -0.41 0.11 0.00 -0.34 0.00 0.00 43.02 42.23 3ita s PHE 186 CO 0.03 -0.06 0.81 -1.71 -1.46 0.00 0.00 175.22 172.83 3ita n ASN 187 N 3.27 -3.42 -0.92 6.13 4.05 -1.26 -1.48 115.26 121.62 3ita n ASN 187 Ca -0.17 -0.93 -0.12 0.00 0.45 0.00 0.00 54.58 53.81 3ita n ASN 187 Cb 0.56 -3.19 -0.05 0.00 1.23 0.00 0.00 39.78 38.32 3ita n ASN 187 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 177.26 174.50 3ita n LYS 188 N -4.48 -1.43 -5.07 1.20 4.01 -1.26 -4.99 118.16 106.15 3ita n LYS 188 Ca 0.01 0.90 -0.32 0.00 -0.51 0.00 0.00 58.31 58.39 3ita n LYS 188 Cb 0.53 -5.18 -0.15 0.00 -0.51 0.00 0.00 35.03 29.71 3ita n LYS 188 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 3ita s ILE 189 N -2.15 2.52 0.15 -0.18 1.01 -0.55 -5.11 121.20 116.89 3ita s ILE 189 Ca 0.00 -0.89 -0.30 0.00 0.00 0.00 0.00 60.65 59.46 3ita s ILE 189 Cb 0.00 -1.97 -0.07 0.00 0.01 0.00 0.00 42.46 40.42 3ita s ILE 189 CO 0.00 0.57 1.19 -0.13 0.00 0.00 0.00 174.94 176.56 3ita s ARG 190 N -0.18 4.49 -0.22 2.79 0.52 -1.26 -1.88 118.95 123.21 3ita s ARG 190 Ca -0.02 1.82 0.01 0.00 -0.52 0.00 0.00 55.73 57.03 3ita s ARG 190 Cb -0.14 -3.28 0.03 0.00 0.52 0.00 0.00 34.95 32.09 3ita s ARG 190 CO 0.03 -0.12 -0.15 -0.65 0.02 0.00 0.00 175.30 174.44 3ita s GLN 191 N 0.13 2.74 0.42 3.54 -1.52 0.71 -4.97 119.66 120.71 3ita s GLN 191 Ca 0.54 -1.01 -0.17 0.00 -1.95 0.00 0.00 55.36 52.77 3ita s GLN 191 Cb -0.31 -2.74 -0.09 0.00 -0.22 0.00 0.00 33.01 29.65 3ita s GLN 191 CO 0.34 -0.35 0.88 -1.25 -0.25 0.00 0.00 175.29 174.65 3ita s PRO 192 N 1.24 4.02 -0.02 2.91 0.04 -1.26 -1.17 135.00 140.76 3ita s PRO 192 Ca -0.00 0.86 -0.30 0.00 0.04 0.00 0.00 61.00 61.59 3ita s PRO 192 Cb -0.16 -2.27 -0.03 0.00 0.04 0.00 0.00 34.50 32.08 3ita s PRO 192 CO -0.09 -0.05 1.12 1.21 0.04 0.00 0.00 177.00 179.24 3ita s ASN 193 N -2.60 7.15 0.00 6.66 3.84 0.27 -4.66 114.94 125.62 3ita s ASN 193 Ca 0.57 1.79 0.29 0.00 0.21 0.00 0.00 52.86 55.72 3ita s ASN 193 Cb -0.10 -2.57 1.57 0.00 -0.55 0.00 0.00 41.25 39.60 3ita s ASN 193 CO 0.22 -0.47 2.03 0.54 -2.79 0.00 0.00 177.10 176.63 3ita n ARG 194 N 4.60 0.62 -2.38 0.43 1.74 -1.26 -4.61 116.66 115.79 3ita n ARG 194 Ca 0.09 0.01 -0.36 0.00 -0.77 0.00 0.00 57.85 56.82 3ita n ARG 194 Cb 0.48 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.38 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 -2.34 6.06 0.61 0.55 2.47 -1.26 -4.82 114.94 116.21 3ita s ASN 195 Ca 0.34 -1.39 0.29 0.00 0.42 0.00 0.00 52.86 52.52 3ita s ASN 195 Cb 0.20 -2.57 1.55 0.00 -1.45 0.00 0.00 41.25 38.98 3ita s ASN 195 CO 0.39 -1.92 1.94 0.03 -3.72 0.00 0.00 177.10 173.82 3ita h ARG 196 N 9.91 0.00 0.00 0.43 2.47 -2.02 -1.56 114.38 123.61 3ita h ARG 196 Ca 0.21 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.93 3ita h ARG 196 Cb 0.98 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.30 3ita h ARG 196 CO 1.36 0.00 0.00 -0.07 0.56 0.00 0.00 179.97 181.82 3ita h LEU 197 N 0.00 0.00 -2.24 3.04 3.38 -1.96 -1.94 115.31 115.59 3ita h LEU 197 Ca 0.13 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.15 3ita h LEU 197 Cb 0.91 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.65 3ita h LEU 197 CO -0.00 0.00 0.18 -0.07 0.09 0.00 0.00 178.44 178.64 3ita h LEU 198 N 0.00 0.00 -1.64 1.67 3.38 -1.52 -0.91 115.31 116.28 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 0.48 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.23 3ita h LEU 198 CO 0.00 0.00 0.00 0.79 0.09 0.00 0.00 178.44 179.32 3ita n TRP 199 N -3.86 0.38 -2.32 1.13 8.01 -0.73 -4.87 117.44 115.19 3ita n TRP 199 Ca 0.01 -0.19 -0.41 0.00 -1.31 0.00 0.00 57.50 55.60 3ita n TRP 199 Cb 0.30 0.00 -0.03 0.00 -2.01 0.00 0.00 31.31 29.57 3ita n TRP 199 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.69 177.13 3ita s SER 200 N -1.45 7.04 0.17 -0.99 0.15 -0.35 -4.91 113.70 113.36 3ita s SER 200 Ca 0.34 2.41 0.13 0.00 0.70 0.00 0.00 55.95 59.53 3ita s SER 200 Cb 0.19 -2.63 -0.07 0.00 -1.71 0.00 0.00 66.02 61.81 3ita s SER 200 CO 0.27 -0.35 1.23 -1.28 1.20 0.00 0.00 173.24 174.32 3ita h SER 201 N 4.13 0.00 0.39 5.45 0.87 -1.94 -3.36 113.55 119.08 3ita h SER 201 Ca -0.47 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.09 3ita h SER 201 Cb 1.22 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.18 3ita h SER 201 CO 0.69 0.69 -0.47 0.59 -0.53 0.00 0.00 176.83 177.80 3ita n ASN 202 N -3.19 0.70 -3.82 6.23 3.02 -1.26 -4.89 115.26 112.06 3ita n ASN 202 Ca -0.02 -0.50 -0.12 0.00 -0.03 0.00 0.00 54.58 53.91 3ita n ASN 202 Cb 0.83 0.27 -0.09 0.00 -0.61 0.00 0.00 39.78 40.18 3ita n ASN 202 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3ita s LEU 203 N -2.85 1.26 -0.93 3.41 1.43 -1.26 -5.04 118.68 114.70 3ita s LEU 203 Ca 0.15 -0.06 -0.16 0.00 -1.03 0.00 0.00 54.13 53.02 3ita s LEU 203 Cb 0.18 0.91 0.17 0.00 0.03 0.00 0.00 46.19 47.48 3ita s LEU 203 CO 0.66 -0.38 1.04 0.21 0.23 0.00 0.00 176.35 178.11 3ita s ASN 204 N -1.28 6.74 -0.18 2.29 2.47 -1.26 -4.58 114.94 119.14 3ita s ASN 204 Ca -0.13 -2.40 -0.09 0.00 0.42 0.00 0.00 52.86 50.66 3ita s ASN 204 Cb -0.06 -2.33 -0.05 0.00 -1.45 0.00 0.00 41.25 37.36 3ita s ASN 204 CO 0.03 -0.85 0.12 -0.69 -3.72 0.00 0.00 177.10 171.98 3ita s VAL 205 N 1.62 5.29 -0.08 -5.21 1.01 -1.26 -1.65 120.40 120.12 3ita s VAL 205 Ca 0.29 0.14 0.11 0.00 0.00 0.00 0.00 61.98 62.52 3ita s VAL 205 Cb -0.06 -3.38 0.17 0.00 0.00 0.00 0.00 36.38 33.10 3ita s VAL 205 CO -0.09 0.48 1.06 -0.90 0.00 0.00 0.00 175.10 175.66 3ita n ASP 206 N 3.19 1.59 -3.81 3.32 3.85 -0.59 -4.55 116.55 119.55 3ita n ASP 206 Ca -0.17 -2.59 0.04 0.00 -0.71 0.00 0.00 54.79 51.36 3ita n ASP 206 Cb 0.53 -0.30 0.01 0.00 -1.35 0.00 0.00 41.12 40.00 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 -2.06 -0.32 0.00 6.12 0.00 -1.23 -2.97 107.32 106.85 3ita s GLY 207 Ca 0.19 0.46 0.00 0.00 0.00 0.00 0.00 44.72 45.37 3ita s GLY 207 CO 0.02 3.96 0.00 1.15 0.00 0.00 0.00 173.10 178.23 3ita n MET 208 N -0.77 0.33 -3.64 2.90 0.00 0.16 -2.17 117.12 113.93 3ita n MET 208 Ca -0.01 0.00 -0.09 0.00 0.00 0.00 0.00 57.70 57.61 3ita n MET 208 Cb 0.61 -0.42 -0.07 0.00 0.00 0.00 0.00 33.22 33.33 3ita n MET 208 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 175.97 176.18 3ita s LYS 209 N -0.93 0.61 0.26 3.17 2.47 -0.71 -4.97 119.74 119.64 3ita s LYS 209 Ca 0.00 0.84 0.06 0.00 -1.56 0.00 0.00 55.97 55.32 3ita s LYS 209 Cb 0.00 0.24 -0.03 0.00 -1.46 0.00 0.00 37.83 36.57 3ita s LYS 209 CO 0.00 -0.09 0.27 0.95 0.16 0.00 0.00 175.35 176.64 3ita s THR 210 N 0.75 4.59 0.20 3.43 -4.23 -1.26 -1.33 115.64 117.80 3ita s THR 210 Ca -0.03 -1.26 -0.22 0.00 -1.18 0.00 0.00 61.69 59.01 3ita s THR 210 Cb -0.05 -3.52 0.07 0.00 1.34 0.00 0.00 72.50 70.35 3ita s THR 210 CO -0.09 -0.32 1.02 -0.83 -0.54 0.00 0.00 174.62 173.86 3ita s GLY 211 N -3.91 0.14 0.15 3.99 0.00 -0.92 -4.46 107.32 102.31 3ita s GLY 211 Ca 0.35 -0.38 0.05 0.00 0.00 0.00 0.00 44.72 44.73 3ita s GLY 211 CO 0.27 2.29 -0.10 -0.51 0.00 0.00 0.00 173.10 175.04 3ita s THR 212 N -2.16 1.18 -0.10 0.90 -4.23 -1.26 -0.32 115.64 109.64 3ita s THR 212 Ca 0.22 -2.04 0.02 0.00 -1.18 0.00 0.00 61.69 58.71 3ita s THR 212 Cb -0.03 -1.82 0.01 0.00 1.34 0.00 0.00 72.50 72.00 3ita s THR 212 CO 0.06 -0.72 -0.15 -0.89 -0.54 0.00 0.00 174.62 172.38 3ita s THR 213 N -3.24 1.45 -0.20 3.99 2.01 -0.85 -4.31 115.64 114.48 3ita s THR 213 Ca 0.16 -0.62 -0.36 0.00 0.31 0.00 0.00 61.69 61.18 3ita s THR 213 Cb 0.02 -1.32 -0.13 0.00 0.01 0.00 0.00 72.50 71.08 3ita s THR 213 CO 0.01 0.43 1.89 0.00 -0.69 0.00 0.00 174.62 176.26 3ita n ALA 214 N 4.13 0.54 -0.11 7.40 0.00 -1.26 -1.53 120.51 129.68 3ita n ALA 214 Ca -0.19 0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.50 3ita n ALA 214 Cb 0.51 -2.42 0.00 0.00 0.00 0.00 0.00 19.45 17.55 3ita n ALA 214 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ita n GLY 215 N 4.71 1.00 0.13 0.00 0.00 -1.26 -4.85 105.19 104.91 3ita n GLY 215 Ca 0.27 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.26 3ita n GLY 215 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ita n ALA 216 N -1.15 2.03 0.00 4.61 0.00 -0.58 -5.15 120.51 120.27 3ita n ALA 216 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.29 3ita n ALA 216 Cb 0.00 0.42 0.00 0.00 0.00 0.00 0.00 19.45 19.87 3ita n ALA 216 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ita n GLY 217 N 3.26 0.37 3.61 0.00 0.00 -1.05 -4.39 105.19 106.99 3ita n GLY 217 Ca -0.06 -1.36 -0.34 0.00 0.00 0.00 0.00 46.02 44.25 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 -2.08 3.09 0.17 1.61 1.51 0.81 -2.01 117.35 120.46 3ita s TYR 218 Ca 0.00 0.03 0.11 0.00 -1.01 0.00 0.00 57.07 56.20 3ita s TYR 218 Cb 0.00 -1.84 -0.04 0.00 -0.11 0.00 0.00 41.96 39.97 3ita s TYR 218 CO 0.00 0.29 -0.24 -0.80 -1.11 0.00 0.00 175.55 173.68 3ita s ASN 219 N -0.45 3.43 -0.11 2.29 0.01 0.56 -0.91 114.94 119.76 3ita s ASN 219 Ca 0.08 -0.82 -0.06 0.00 -0.71 0.00 0.00 52.86 51.35 3ita s ASN 219 Cb -0.12 -0.26 0.05 0.00 0.41 0.00 0.00 41.25 41.32 3ita s ASN 219 CO 0.02 0.14 0.25 -0.22 -1.51 0.00 0.00 177.10 175.78 3ita s LEU 220 N -2.49 0.43 -0.24 0.60 2.96 -0.04 -2.16 118.68 117.74 3ita s LEU 220 Ca 0.19 0.53 -0.08 0.00 -0.22 0.00 0.00 54.13 54.55 3ita s LEU 220 Cb -0.09 0.76 -0.03 0.00 0.50 0.00 0.00 46.19 47.33 3ita s LEU 220 CO 0.09 -0.16 0.08 -0.69 -1.32 0.00 0.00 176.35 174.35 3ita s VAL 221 N 1.21 4.48 0.15 1.68 1.01 -0.44 -1.34 120.40 127.15 3ita s VAL 221 Ca -0.09 -0.12 0.06 0.00 0.00 0.00 0.00 61.98 61.84 3ita s VAL 221 Cb -0.10 -3.09 -0.04 0.00 0.00 0.00 0.00 36.38 33.15 3ita s VAL 221 CO -0.08 0.35 -0.14 0.00 0.00 0.00 0.00 175.10 175.23 3ita s ALA 222 N 1.45 1.68 -0.01 5.51 0.00 -0.08 -0.67 121.76 129.66 3ita s ALA 222 Ca 0.06 -1.46 -0.07 0.00 0.00 0.00 0.00 51.96 50.49 3ita s ALA 222 Cb -0.15 -0.06 0.00 0.00 0.00 0.00 0.00 23.12 22.91 3ita s ALA 222 CO 0.04 0.06 0.14 0.45 0.00 0.00 0.00 175.76 176.46 3ita s SER 223 N -2.87 -0.01 0.05 0.00 0.15 -0.92 -1.03 113.70 109.07 3ita s SER 223 Ca 0.15 -0.13 -0.04 0.00 0.70 0.00 0.00 55.95 56.63 3ita s SER 223 Cb -0.02 0.23 -0.02 0.00 -1.71 0.00 0.00 66.02 64.50 3ita s SER 223 CO 0.04 -0.33 0.06 0.00 1.20 0.00 0.00 173.24 174.22 3ita s ALA 224 N -1.18 0.09 0.09 5.45 0.00 -0.67 -1.55 121.76 123.99 3ita s ALA 224 Ca -0.13 -0.76 0.08 0.00 0.00 0.00 0.00 51.96 51.16 3ita s ALA 224 Cb -0.07 0.29 -0.03 0.00 0.00 0.00 0.00 23.12 23.31 3ita s ALA 224 CO 0.01 -0.35 -0.21 0.95 0.00 0.00 0.00 175.76 176.17 3ita s THR 225 N -3.11 1.67 -0.21 0.00 -4.23 -0.66 -1.30 115.64 107.81 3ita s THR 225 Ca -0.01 -1.46 -0.05 0.00 -1.18 0.00 0.00 61.69 59.00 3ita s THR 225 Cb 0.02 -1.51 0.10 0.00 1.34 0.00 0.00 72.50 72.45 3ita s THR 225 CO -0.07 -0.01 0.37 -1.58 -0.54 0.00 0.00 174.62 172.79 3ita s GLN 226 N -1.74 0.30 4.94 3.99 -0.44 -0.62 -4.26 119.66 121.82 3ita s GLN 226 Ca 0.06 0.75 0.00 0.00 -2.50 0.00 0.00 55.36 53.67 3ita s GLN 226 Cb -0.10 -0.12 0.00 0.00 -1.64 0.00 0.00 33.01 31.15 3ita s GLN 226 CO 0.04 -0.43 0.00 0.41 0.50 0.00 0.00 175.29 175.80 3ita n GLY 227 N 5.37 3.33 0.02 2.59 0.00 -1.26 -1.87 105.19 113.37 3ita n GLY 227 Ca -0.06 0.05 0.14 0.00 0.00 0.00 0.00 46.02 46.16 3ita n GLY 227 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3ita n ASP 228 N 4.55 0.10 -4.84 1.61 9.92 -1.26 -4.91 116.55 121.72 3ita n ASP 228 Ca 0.00 -0.12 -0.34 0.00 -0.53 0.00 0.00 54.79 53.80 3ita n ASP 228 Cb 0.00 -0.26 -0.06 0.00 -0.64 0.00 0.00 41.12 40.16 3ita n ASP 228 CO 0.00 0.00 0.00 -0.32 0.13 0.00 0.00 177.20 177.01 3ita s MET 229 N -2.64 3.29 -0.04 -1.24 1.75 -0.78 -5.05 119.30 114.59 3ita s MET 229 Ca 0.26 -0.32 0.02 0.00 -1.25 0.00 0.00 55.69 54.40 3ita s MET 229 Cb 0.20 -3.03 0.01 0.00 2.84 0.00 0.00 34.83 34.85 3ita s MET 229 CO 0.48 0.70 -0.10 0.50 -0.65 0.00 0.00 175.02 175.96 3ita s ARG 230 N -1.53 1.23 0.16 4.11 3.52 -1.26 -1.60 118.95 123.58 3ita s ARG 230 Ca 0.21 -0.32 0.09 0.00 -0.13 0.00 0.00 55.73 55.58 3ita s ARG 230 Cb -0.12 -1.10 -0.04 0.00 -1.56 0.00 0.00 34.95 32.13 3ita s ARG 230 CO 0.12 0.06 -0.14 -0.51 -0.81 0.00 0.00 175.30 174.01 3ita s LEU 231 N 0.48 2.82 -0.09 -0.88 1.43 -0.42 -1.35 118.68 120.67 3ita s LEU 231 Ca -0.09 -0.60 0.03 0.00 -1.03 0.00 0.00 54.13 52.44 3ita s LEU 231 Cb -0.12 -1.57 0.00 0.00 0.03 0.00 0.00 46.19 44.54 3ita s LEU 231 CO 0.02 0.13 -0.20 -0.63 0.23 0.00 0.00 176.35 175.90 3ita s ILE 232 N -1.51 1.72 0.08 -0.59 1.01 0.30 -1.67 121.20 120.54 3ita s ILE 232 Ca 0.22 -0.82 0.10 0.00 0.00 0.00 0.00 60.65 60.14 3ita s ILE 232 Cb -0.09 -1.51 -0.03 0.00 0.01 0.00 0.00 42.46 40.83 3ita s ILE 232 CO 0.13 0.49 -0.25 -0.94 0.00 0.00 0.00 174.94 174.37 3ita s SER 233 N 0.45 3.37 -0.05 3.58 1.04 -0.19 -0.90 113.70 120.99 3ita s SER 233 Ca -0.17 -0.63 0.03 0.00 0.48 0.00 0.00 55.95 55.66 3ita s SER 233 Cb -0.17 -0.33 0.01 0.00 0.10 0.00 0.00 66.02 65.63 3ita s SER 233 CO 0.07 0.22 -0.12 -0.69 0.98 0.00 0.00 173.24 173.70 3ita s VAL 234 N -0.95 1.10 -0.12 5.02 1.01 -0.04 -0.90 120.40 125.53 3ita s VAL 234 Ca 0.14 -0.49 0.00 0.00 0.00 0.00 0.00 61.98 61.63 3ita s VAL 234 Cb -0.10 -0.99 0.02 0.00 0.00 0.00 0.00 36.38 35.31 3ita s VAL 234 CO 0.05 0.34 -0.11 -0.69 0.00 0.00 0.00 175.10 174.69 3ita s VAL 235 N 0.45 1.24 -0.05 2.92 1.01 -0.45 -1.26 120.40 124.27 3ita s VAL 235 Ca -0.10 -0.44 0.06 0.00 0.00 0.00 0.00 61.98 61.50 3ita s VAL 235 Cb -0.13 -1.20 -0.02 0.00 0.00 0.00 0.00 36.38 35.03 3ita s VAL 235 CO 0.03 0.40 -0.23 -0.76 0.00 0.00 0.00 175.10 174.54 3ita s LEU 236 N 1.49 2.21 -0.79 3.92 1.43 0.18 -0.86 118.68 126.25 3ita s LEU 236 Ca 0.02 -0.44 -0.05 0.00 -1.03 0.00 0.00 54.13 52.63 3ita s LEU 236 Cb -0.13 -1.41 0.01 0.00 0.03 0.00 0.00 46.19 44.69 3ita s LEU 236 CO -0.07 0.28 0.69 0.61 0.23 0.00 0.00 176.35 178.09 3ita n GLY 237 N 2.73 0.07 3.77 -3.19 0.00 -1.04 -1.74 105.19 105.79 3ita n GLY 237 Ca -0.17 -0.13 -0.35 0.00 0.00 0.00 0.00 46.02 45.37 3ita n GLY 237 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ita s ALA 238 N -3.19 2.60 0.17 4.61 0.00 -0.09 -2.98 121.76 122.88 3ita s ALA 238 Ca 0.34 0.78 0.04 0.00 0.00 0.00 0.00 51.96 53.12 3ita s ALA 238 Cb -0.15 -3.37 0.01 0.00 0.00 0.00 0.00 23.12 19.61 3ita s ALA 238 CO 0.43 -0.98 1.39 -0.22 0.00 0.00 0.00 175.76 176.38 3ita h LYS 239 N 0.82 0.14 -5.01 0.00 3.64 -1.87 0.23 116.57 114.53 3ita h LYS 239 Ca -0.49 -0.16 -0.33 0.00 -1.27 0.00 0.00 60.65 58.40 3ita h LYS 239 Cb 1.26 0.05 -0.15 0.00 -0.41 0.00 0.00 32.23 32.98 3ita h LYS 239 CO 0.56 0.92 -0.69 0.95 -2.27 0.00 0.00 179.45 178.92 3ita s THR 240 N -3.18 1.04 0.27 1.00 -4.23 -1.26 -4.79 115.64 104.49 3ita s THR 240 Ca -0.02 -2.04 -0.01 0.00 -1.18 0.00 0.00 61.69 58.45 3ita s THR 240 Cb 0.10 -2.02 0.25 0.00 1.34 0.00 0.00 72.50 72.17 3ita s THR 240 CO 0.82 -0.60 1.74 -0.78 -0.54 0.00 0.00 174.62 175.26 3ita h ASP 241 N 2.69 0.42 -0.52 3.99 3.58 -1.96 -0.41 116.42 124.21 3ita h ASP 241 Ca -0.37 0.11 -0.03 0.00 0.42 0.00 0.00 57.03 57.16 3ita h ASP 241 Cb 1.20 0.06 -0.02 0.00 1.72 0.00 0.00 39.33 42.29 3ita h ASP 241 CO 0.64 0.14 0.20 -0.09 -2.88 0.00 0.00 179.24 177.24 3ita h ARG 242 N 0.53 0.79 -0.27 0.28 2.43 -1.99 -2.75 114.38 113.38 3ita h ARG 242 Ca 0.47 -0.15 -0.16 0.00 -0.81 0.00 0.00 59.98 59.33 3ita h ARG 242 Cb 0.75 -0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 30.17 3ita h ARG 242 CO -0.41 0.70 -0.49 0.82 -1.51 0.00 0.00 179.97 179.08 3ita h ILE 243 N 0.70 1.29 -0.55 1.20 2.04 -1.82 -0.56 117.51 119.82 3ita h ILE 243 Ca 0.17 -1.69 0.11 0.00 1.00 0.00 0.00 64.86 64.46 3ita h ILE 243 Cb 0.22 1.60 -0.09 0.00 -0.74 0.00 0.00 36.82 37.80 3ita h ILE 243 CO -0.01 0.54 -0.03 -0.09 0.00 0.00 0.00 178.15 178.56 3ita h ARG 244 N 0.59 0.09 0.01 2.37 1.12 -0.94 0.17 114.38 117.79 3ita h ARG 244 Ca 0.03 -0.01 -0.26 0.00 -1.11 0.00 0.00 59.98 58.63 3ita h ARG 244 Cb 1.06 -0.02 0.02 0.00 -0.01 0.00 0.00 29.97 31.02 3ita h ARG 244 CO 0.10 0.06 -1.04 0.74 -3.11 0.00 0.00 179.97 176.72 3ita h PHE 245 N 0.09 0.98 -0.43 2.20 0.04 -1.34 -3.22 116.94 115.26 3ita h PHE 245 Ca 0.28 -0.54 -0.15 0.00 2.80 0.00 0.00 57.97 60.37 3ita h PHE 245 Cb 0.44 -0.11 -0.01 0.00 2.20 0.00 0.00 35.95 38.47 3ita h PHE 245 CO -0.36 1.37 -0.31 -0.97 -0.60 0.00 0.00 178.31 177.44 3ita h ASN 246 N 0.36 1.01 0.41 2.17 -0.73 -0.61 -1.47 115.58 116.72 3ita h ASN 246 Ca -0.13 -0.44 -0.14 0.00 1.87 0.00 0.00 56.30 57.46 3ita h ASN 246 Cb 1.70 -0.28 -0.01 0.00 0.27 0.00 0.00 38.32 39.99 3ita h ASN 246 CO 0.20 1.23 -0.61 -0.33 -0.37 0.00 0.00 177.43 177.55 3ita h GLU 247 N 0.80 0.20 -0.22 6.67 4.39 -1.12 -0.45 114.58 124.85 3ita h GLU 247 Ca 0.08 -0.14 -0.02 0.00 0.34 0.00 0.00 59.36 59.62 3ita h GLU 247 Cb 0.90 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.56 3ita h GLU 247 CO 0.08 0.75 0.07 0.77 -1.16 0.00 0.00 179.01 179.52 3ita h SER 248 N 0.15 0.32 -0.68 1.42 0.02 -1.53 -2.34 113.55 110.91 3ita h SER 248 Ca -0.01 -0.21 -0.05 0.00 -0.84 0.00 0.00 61.79 60.69 3ita h SER 248 Cb 1.11 -0.08 -0.03 0.00 0.14 0.00 0.00 62.40 63.53 3ita h SER 248 CO 0.09 0.45 0.25 -0.08 -1.14 0.00 0.00 176.83 176.40 3ita h GLU 249 N 0.18 1.06 -0.47 3.45 4.81 -1.02 -1.84 114.58 120.76 3ita h GLU 249 Ca 0.07 -0.20 0.04 0.00 -0.13 0.00 0.00 59.36 59.14 3ita h GLU 249 Cb 0.24 -0.17 -0.04 0.00 0.63 0.00 0.00 28.75 29.41 3ita h GLU 249 CO -0.00 0.88 0.24 -0.22 -0.73 0.00 0.00 179.01 179.18 3ita h LYS 250 N 1.03 0.46 -0.07 1.92 3.64 -0.91 -0.44 116.57 122.21 3ita h LYS 250 Ca 0.23 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.57 3ita h LYS 250 Cb 0.24 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 31.96 3ita h LYS 250 CO -0.01 0.31 -0.01 -0.07 -2.27 0.00 0.00 179.45 177.39 3ita h LEU 251 N 0.48 0.12 -0.76 5.20 3.38 -1.14 -1.10 115.31 121.50 3ita h LEU 251 Ca 0.20 -0.35 0.03 0.00 0.09 0.00 0.00 57.88 57.85 3ita h LEU 251 Cb 0.10 -0.03 -0.05 0.00 0.09 0.00 0.00 40.66 40.77 3ita h LEU 251 CO -0.14 0.44 0.49 -0.07 0.09 0.00 0.00 178.44 179.25 3ita h LEU 252 N -0.20 0.81 -0.58 1.67 3.38 -1.26 -1.06 115.31 118.06 3ita h LEU 252 Ca 0.02 -0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.89 3ita h LEU 252 Cb 0.38 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 3ita h LEU 252 CO 0.01 0.56 -0.01 0.74 0.09 0.00 0.00 178.44 179.83 3ita h THR 253 N 0.95 1.27 -0.24 0.22 2.02 -0.93 -2.49 112.91 113.71 3ita h THR 253 Ca 0.30 -1.16 0.01 0.00 0.77 0.00 0.00 66.41 66.33 3ita h THR 253 Cb -0.01 0.84 -0.01 0.00 -1.74 0.00 0.00 68.15 67.23 3ita h THR 253 CO -0.10 0.42 0.15 -0.25 0.37 0.00 0.00 175.52 176.11 3ita h TRP 254 N 0.93 0.29 -0.26 3.16 7.01 -0.81 -1.00 115.95 125.27 3ita h TRP 254 Ca 0.16 0.01 0.05 0.00 2.11 0.00 0.00 58.89 61.22 3ita h TRP 254 Cb 0.57 -0.10 -0.05 0.00 -2.10 0.00 0.00 29.16 27.48 3ita h TRP 254 CO 0.04 0.18 -0.06 0.78 -2.79 0.00 0.00 178.44 176.59 3ita h GLY 255 N 0.31 0.19 2.00 2.65 0.00 -0.99 -2.34 103.07 104.89 3ita h GLY 255 Ca 0.09 0.08 -0.11 0.00 0.00 0.00 0.00 47.33 47.40 3ita h GLY 255 CO -0.03 -0.09 -0.50 0.74 0.00 0.00 0.00 176.54 176.65 3ita h PHE 256 N 0.01 0.00 -0.31 5.60 0.04 -1.34 -2.40 116.94 118.55 3ita h PHE 256 Ca 0.12 0.00 -0.17 0.00 2.80 0.00 0.00 57.97 60.72 3ita h PHE 256 Cb 0.19 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.33 3ita h PHE 256 CO -0.25 0.50 -0.48 -0.09 -0.60 0.00 0.00 178.31 177.39 3ita h ARG 257 N 0.00 0.84 -0.00 1.51 2.43 -0.69 -3.36 114.38 115.10 3ita h ARG 257 Ca -0.01 -0.49 0.00 0.00 -0.81 0.00 0.00 59.98 58.67 3ita h ARG 257 Cb 0.97 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.56 3ita h ARG 257 CO 0.07 1.13 -0.43 1.19 -1.51 0.00 0.00 179.97 180.41 3ita n PHE 258 N -4.02 0.00 -4.26 2.20 3.72 -0.93 -4.94 117.46 109.24 3ita n PHE 258 Ca -0.03 0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 57.21 3ita n PHE 258 Cb 0.59 0.00 -0.10 0.00 -0.94 0.00 0.00 39.48 39.03 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 -1.86 1.35 0.03 1.38 0.40 -0.91 -1.64 117.98 116.73 3ita s PHE 259 Ca 0.05 -0.68 -0.02 0.00 -0.60 0.00 0.00 56.93 55.68 3ita s PHE 259 Cb 0.08 -0.68 -0.02 0.00 0.51 0.00 0.00 43.02 42.91 3ita s PHE 259 CO 0.39 0.13 0.01 -1.83 0.70 0.00 0.00 175.22 174.63 3ita s GLU 260 N -3.44 0.47 -0.10 0.44 -1.05 -0.13 -4.70 118.70 110.19 3ita s GLU 260 Ca 0.15 -0.80 0.02 0.00 -0.15 0.00 0.00 54.97 54.20 3ita s GLU 260 Cb 0.00 0.17 -0.01 0.00 -0.44 0.00 0.00 34.13 33.85 3ita s GLU 260 CO 0.02 -0.09 -0.18 0.99 0.95 0.00 0.00 175.26 176.95 3ita s THR 261 N -2.39 2.65 0.14 1.83 2.01 -1.26 -1.19 115.64 117.42 3ita s THR 261 Ca -0.07 -0.83 0.05 0.00 0.31 0.00 0.00 61.69 61.15 3ita s THR 261 Cb -0.03 -2.06 -0.04 0.00 0.01 0.00 0.00 72.50 70.38 3ita s THR 261 CO -0.04 0.55 -0.11 0.68 -0.69 0.00 0.00 174.62 175.01 3ita s VAL 262 N 0.11 1.20 -0.55 3.82 -7.23 -0.29 -4.97 120.40 112.50 3ita s VAL 262 Ca -0.09 -1.95 0.05 0.00 -1.81 0.00 0.00 61.98 58.18 3ita s VAL 262 Cb -0.15 -1.74 0.17 0.00 0.56 0.00 0.00 36.38 35.22 3ita s VAL 262 CO 0.05 -0.65 0.42 0.41 -0.31 0.00 0.00 175.10 175.02 3ita n THR 263 N 0.03 0.10 0.09 5.32 -1.04 -1.26 -0.45 114.28 117.07 3ita n THR 263 Ca -0.12 -4.10 0.03 0.00 -2.04 0.00 0.00 64.05 57.83 3ita n THR 263 Cb 0.60 -1.90 0.41 0.00 -1.82 0.00 0.00 70.33 67.62 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 5.48 0.31 -4.48 -2.82 0.11 -1.96 -3.37 132.00 125.28 3ita h PRO 264 Ca 0.21 -0.05 -0.63 0.00 0.11 0.00 0.00 66.00 65.64 3ita h PRO 264 Cb 0.84 -0.05 -0.38 0.00 0.11 0.00 0.00 31.00 31.51 3ita h PRO 264 CO 0.53 0.35 -0.78 0.42 -0.21 0.00 0.00 178.00 178.32 3ita s ILE 265 N -4.96 1.76 0.71 4.15 1.01 -1.18 -5.12 121.20 117.57 3ita s ILE 265 Ca -0.06 -1.52 -0.12 0.00 0.00 0.00 0.00 60.65 58.95 3ita s ILE 265 Cb 0.16 -2.05 0.02 0.00 0.01 0.00 0.00 42.46 40.60 3ita s ILE 265 CO 0.73 -0.21 1.09 -0.54 0.00 0.00 0.00 174.94 176.01 3ita s LYS 266 N 1.26 2.62 0.39 2.79 1.02 -1.26 -4.06 119.74 122.50 3ita s LYS 266 Ca -0.03 1.19 -0.26 0.00 0.02 0.00 0.00 55.97 56.89 3ita s LYS 266 Cb -0.19 -1.94 -0.09 0.00 -0.52 0.00 0.00 37.83 35.09 3ita s LYS 266 CO -0.08 -1.36 1.29 -2.14 -0.92 0.00 0.00 175.35 172.15 3ita s PRO 267 N -4.63 4.03 0.00 -1.68 0.02 -1.25 -1.73 135.00 129.76 3ita s PRO 267 Ca 0.62 2.14 0.00 0.00 0.02 0.00 0.00 61.00 63.79 3ita s PRO 267 Cb -0.17 -2.80 0.00 0.00 0.02 0.00 0.00 34.50 31.55 3ita s PRO 267 CO 0.50 -0.44 0.00 -0.25 -0.33 0.00 0.00 177.00 176.48 3ita n ASP 268 N 0.22 0.00 -4.77 2.53 10.43 -1.26 -5.00 116.55 118.70 3ita n ASP 268 Ca 0.03 0.00 -0.38 0.00 2.57 0.00 0.00 54.79 57.02 3ita n ASP 268 Cb 0.43 -0.11 -0.03 0.00 1.84 0.00 0.00 41.12 43.25 3ita n ASP 268 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3ita s ALA 269 N -0.99 3.16 -0.24 2.24 0.00 -0.71 -5.02 121.76 120.21 3ita s ALA 269 Ca 0.00 0.81 -0.23 0.00 0.00 0.00 0.00 51.96 52.54 3ita s ALA 269 Cb 0.00 -3.31 -0.01 0.00 0.00 0.00 0.00 23.12 19.79 3ita s ALA 269 CO 0.00 -0.30 0.73 0.99 0.00 0.00 0.00 175.76 177.19 3ita s THR 270 N -1.50 4.91 -0.02 0.00 2.01 -1.26 -4.41 115.64 115.37 3ita s THR 270 Ca 0.55 1.37 -0.09 0.00 0.31 0.00 0.00 61.69 63.83 3ita s THR 270 Cb -0.26 -4.03 -0.30 0.00 0.01 0.00 0.00 72.50 67.91 3ita s THR 270 CO 0.33 -0.01 0.76 0.15 -0.69 0.00 0.00 174.62 175.16 3ita h PHE 271 N 7.71 0.67 -2.03 4.92 3.57 -0.79 -3.49 116.94 127.49 3ita h PHE 271 Ca -0.26 -0.49 -0.06 0.00 3.53 0.00 0.00 57.97 60.69 3ita h PHE 271 Cb 1.11 -0.03 -0.19 0.00 2.79 0.00 0.00 35.95 39.64 3ita h PHE 271 CO 0.75 1.58 0.18 0.54 -2.23 0.00 0.00 178.31 179.12 3ita s VAL 272 N -2.59 0.00 -0.08 1.41 0.11 -0.97 -5.03 120.40 113.25 3ita s VAL 272 Ca -0.13 -0.01 0.02 0.00 -2.93 0.00 0.00 61.98 58.92 3ita s VAL 272 Cb 0.06 -0.99 -0.02 0.00 -1.53 0.00 0.00 36.38 33.89 3ita s VAL 272 CO 0.86 -0.01 -0.11 -0.89 -3.33 0.00 0.00 175.10 171.62 3ita s THR 273 N -1.22 3.29 0.03 5.04 2.01 -1.26 -0.65 115.64 122.88 3ita s THR 273 Ca -0.11 -0.62 0.04 0.00 0.31 0.00 0.00 61.69 61.31 3ita s THR 273 Cb -0.00 -2.34 -0.02 0.00 0.01 0.00 0.00 72.50 70.15 3ita s THR 273 CO 0.10 0.57 -0.11 -1.10 -0.69 0.00 0.00 174.62 173.39 3ita s GLN 274 N -0.43 0.74 0.47 4.92 -1.52 -0.23 -4.93 119.66 118.68 3ita s GLN 274 Ca 0.06 -0.62 -0.24 0.00 -1.95 0.00 0.00 55.36 52.60 3ita s GLN 274 Cb -0.12 -0.69 -0.07 0.00 -0.22 0.00 0.00 33.01 31.91 3ita s GLN 274 CO 0.02 0.17 1.33 0.50 -0.25 0.00 0.00 175.29 177.06 3ita s ARG 275 N -0.98 3.59 0.04 2.91 3.52 -1.26 -0.46 118.95 126.31 3ita s ARG 275 Ca -0.01 2.20 0.08 0.00 -0.13 0.00 0.00 55.73 57.87 3ita s ARG 275 Cb -0.07 -2.52 -0.03 0.00 -1.56 0.00 0.00 34.95 30.78 3ita s ARG 275 CO 0.01 -0.81 -0.24 0.54 -0.81 0.00 0.00 175.30 173.99 3ita s VAL 276 N -1.30 1.90 -0.12 7.11 0.11 0.08 -4.22 120.40 123.96 3ita s VAL 276 Ca 0.64 -1.28 -0.09 0.00 -2.93 0.00 0.00 61.98 58.32 3ita s VAL 276 Cb -0.39 -1.63 -0.04 0.00 -1.53 0.00 0.00 36.38 32.78 3ita s VAL 276 CO 0.48 0.30 0.18 0.26 -3.33 0.00 0.00 175.10 172.99 3ita s TRP 277 N -0.79 3.59 -1.07 1.54 0.52 -0.12 -4.55 118.94 118.05 3ita s TRP 277 Ca 0.10 0.57 0.00 0.00 0.02 0.00 0.00 56.10 56.78 3ita s TRP 277 Cb -0.09 -2.03 0.00 0.00 -1.15 0.00 0.00 33.47 30.20 3ita s TRP 277 CO 0.02 0.65 0.00 1.19 0.02 0.00 0.00 176.95 178.83 3ita n PHE 278 N 2.23 -0.51 -4.18 -1.98 3.72 -1.26 -1.45 117.46 114.02 3ita n PHE 278 Ca -0.18 0.00 -0.27 0.00 -0.05 0.00 0.00 57.45 56.95 3ita n PHE 278 Cb 0.54 -2.68 -0.05 0.00 -0.94 0.00 0.00 39.48 36.35 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 2.48 0.00 1.37 0.00 -1.26 -0.63 107.32 106.78 3ita s GLY 279 Ca 0.00 -1.54 0.25 0.00 0.00 0.00 0.00 44.72 43.43 3ita s GLY 279 CO 0.00 -1.97 1.83 1.34 0.00 0.00 0.00 173.10 174.30 3ita n ASP 280 N -1.39 0.00 -3.89 1.64 2.03 0.20 -4.02 116.55 111.12 3ita n ASP 280 Ca -0.05 0.02 -0.11 0.00 0.52 0.00 0.00 54.79 55.18 3ita n ASP 280 Cb 0.65 -0.32 -0.11 0.00 -0.72 0.00 0.00 41.12 40.62 3ita n ASP 280 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 3ita s LYS 281 N -2.64 0.35 0.00 -0.67 2.20 -1.26 -5.02 119.74 112.69 3ita s LYS 281 Ca 0.22 -0.33 0.27 0.00 -0.36 0.00 0.00 55.97 55.76 3ita s LYS 281 Cb 0.17 0.14 0.78 0.00 -1.51 0.00 0.00 37.83 37.41 3ita s LYS 281 CO 0.39 -0.07 1.58 -1.13 -0.36 0.00 0.00 175.35 175.76 3ita n SER 282 N 1.86 1.40 -3.93 1.43 3.41 -1.26 -4.67 113.62 111.87 3ita n SER 282 Ca -0.21 -1.24 -0.08 0.00 -0.26 0.00 0.00 58.87 57.08 3ita n SER 282 Cb 0.56 0.10 -0.08 0.00 -0.26 0.00 0.00 64.21 64.53 3ita n SER 282 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3ita s GLU 283 N -2.28 0.75 -0.01 4.33 8.01 -1.26 -0.74 118.70 127.50 3ita s GLU 283 Ca 0.29 -0.99 -0.02 0.00 0.01 0.00 0.00 54.97 54.27 3ita s GLU 283 Cb 0.20 0.29 -0.00 0.00 -4.31 0.00 0.00 34.13 30.31 3ita s GLU 283 CO 0.44 -0.21 0.03 0.54 0.01 0.00 0.00 175.26 176.07 3ita s VAL 284 N -3.69 0.03 -0.02 2.63 0.11 0.39 -4.78 120.40 115.08 3ita s VAL 284 Ca 0.04 -0.27 -0.25 0.00 -2.93 0.00 0.00 61.98 58.57 3ita s VAL 284 Cb 0.05 -0.14 -0.04 0.00 -1.53 0.00 0.00 36.38 34.71 3ita s VAL 284 CO -0.10 -0.15 0.75 0.20 -3.33 0.00 0.00 175.10 172.48 3ita s ASN 285 N -0.44 7.10 0.15 3.54 0.01 -1.26 -1.07 114.94 122.97 3ita s ASN 285 Ca -0.05 1.33 0.11 0.00 -0.71 0.00 0.00 52.86 53.54 3ita s ASN 285 Cb -0.03 -2.45 -0.04 0.00 0.41 0.00 0.00 41.25 39.14 3ita s ASN 285 CO -0.00 -0.09 -0.25 -0.76 -1.51 0.00 0.00 177.10 174.49 3ita s LEU 286 N 0.56 2.39 0.00 0.60 1.43 0.18 -0.66 118.68 123.17 3ita s LEU 286 Ca 0.40 -0.76 0.00 0.00 -1.03 0.00 0.00 54.13 52.73 3ita s LEU 286 Cb -0.19 -1.24 0.00 0.00 0.03 0.00 0.00 46.19 44.79 3ita s LEU 286 CO 0.21 0.16 0.00 0.61 0.23 0.00 0.00 176.35 177.56 3ita n GLY 287 N 0.71 2.91 0.00 -3.19 0.00 0.05 -0.02 105.19 105.65 3ita n GLY 287 Ca -0.16 -0.63 0.04 0.00 0.00 0.00 0.00 46.02 45.27 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 2.80 -0.89 4.61 0.00 -1.26 -0.93 120.51 121.84 3ita n ALA 288 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.21 3ita n ALA 288 Cb 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 19.45 19.14 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 1.54 3.09 0.00 0.00 0.00 -1.26 -2.32 105.19 106.23 3ita n GLY 289 Ca 0.00 -0.25 0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 14.00 0.48 -1.12 1.61 -0.58 -1.26 -3.74 120.64 130.03 3ita n GLU 290 Ca 0.00 0.04 -0.13 0.00 -0.42 0.00 0.00 57.16 56.65 3ita n GLU 290 Cb 0.00 -1.50 0.26 0.00 -0.57 0.00 0.00 31.44 29.63 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 -1.20 5.01 0.25 0.62 0.00 -0.98 -4.50 120.51 119.70 3ita n ALA 291 Ca 0.14 -2.56 0.11 0.00 0.00 0.00 0.00 53.44 51.13 3ita n ALA 291 Cb 0.17 -1.34 0.27 0.00 0.00 0.00 0.00 19.45 18.55 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 -0.53 1.66 3.91 0.00 0.00 -1.25 -4.93 105.19 104.06 3ita n GLY 292 Ca 0.49 -0.66 -0.33 0.00 0.00 0.00 0.00 46.02 45.52 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 -1.20 6.39 0.05 1.61 0.01 -1.26 -3.13 113.70 116.17 3ita s SER 293 Ca 0.40 0.36 0.03 0.00 1.31 0.00 0.00 55.95 58.04 3ita s SER 293 Cb 0.21 -2.00 -0.03 0.00 0.21 0.00 0.00 66.02 64.41 3ita s SER 293 CO 0.29 0.22 -0.09 0.68 0.41 0.00 0.00 173.24 174.75 3ita s VAL 294 N -1.40 0.64 -0.16 3.43 -7.23 0.40 -4.52 120.40 111.56 3ita s VAL 294 Ca 0.30 -1.17 -0.01 0.00 -1.81 0.00 0.00 61.98 59.29 3ita s VAL 294 Cb -0.13 -0.75 -0.01 0.00 0.56 0.00 0.00 36.38 36.05 3ita s VAL 294 CO 0.22 -0.39 -0.11 -0.89 -0.31 0.00 0.00 175.10 173.61 3ita s THR 295 N -1.52 3.08 0.10 5.32 2.01 -1.26 -1.13 115.64 122.24 3ita s THR 295 Ca -0.07 -0.63 0.02 0.00 0.31 0.00 0.00 61.69 61.32 3ita s THR 295 Cb -0.09 -2.32 -0.04 0.00 0.01 0.00 0.00 72.50 70.05 3ita s THR 295 CO 0.00 0.50 -0.07 0.27 -0.69 0.00 0.00 174.62 174.63 3ita s ILE 296 N 0.73 0.75 0.58 1.82 -4.36 -0.33 -4.95 121.20 115.43 3ita s ILE 296 Ca -0.05 -1.94 -0.20 0.00 -0.26 0.00 0.00 60.65 58.20 3ita s ILE 296 Cb -0.15 -1.69 -0.04 0.00 1.25 0.00 0.00 42.46 41.83 3ita s ILE 296 CO 0.02 -0.85 1.21 -2.65 0.24 0.00 0.00 174.94 172.91 3ita n PRO 297 N -0.04 1.32 -1.72 0.37 -0.02 -1.26 -0.96 135.00 132.69 3ita n PRO 297 Ca -0.12 0.50 -0.37 0.00 -2.02 0.00 0.00 63.50 61.48 3ita n PRO 297 Cb 0.61 -2.42 0.06 0.00 -0.02 0.00 0.00 33.50 31.73 3ita n PRO 297 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3ita n ARG 298 N -1.15 1.17 -0.93 -0.52 1.74 -0.65 -2.58 116.66 113.74 3ita n ARG 298 Ca 0.13 0.45 0.00 0.00 -0.77 0.00 0.00 57.85 57.66 3ita n ARG 298 Cb 0.46 -2.50 0.00 0.00 -1.02 0.00 0.00 32.46 29.39 3ita n ARG 298 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3ita n GLY 299 N 0.94 0.61 0.38 -0.13 0.00 -1.26 -4.91 105.19 100.82 3ita n GLY 299 Ca 0.15 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.30 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 -2.02 1.23 -0.32 1.61 1.13 -1.06 -4.40 117.38 113.54 3ita n GLN 300 Ca 0.00 -0.77 -0.04 0.00 -1.94 0.00 0.00 57.00 54.25 3ita n GLN 300 Cb 0.05 -1.48 0.08 0.00 0.11 0.00 0.00 30.24 28.99 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 1.87 1.09 -2.15 1.08 5.85 -1.91 -0.13 115.31 121.02 3ita h LEU 301 Ca 0.00 -0.11 0.07 0.00 0.84 0.00 0.00 57.88 58.67 3ita h LEU 301 Cb 0.55 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 3ita h LEU 301 CO 0.00 0.90 0.29 0.11 -0.34 0.00 0.00 178.44 179.40 3ita h LYS 302 N 1.21 0.00 -0.29 1.25 1.57 -2.00 -0.52 116.57 117.78 3ita h LYS 302 Ca 0.30 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.08 3ita h LYS 302 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.38 3ita h LYS 302 CO -0.04 0.00 0.00 0.09 -0.57 0.00 0.00 179.45 178.93 3ita n ASN 303 N -3.63 2.90 -4.69 0.86 5.03 -0.08 -4.95 115.26 110.70 3ita n ASN 303 Ca 0.03 -1.85 -0.42 0.00 0.87 0.00 0.00 54.58 53.21 3ita n ASN 303 Cb 0.42 -0.19 -0.03 0.00 -1.02 0.00 0.00 39.78 38.95 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 -1.15 4.25 -0.09 3.41 2.96 -0.21 -3.05 118.68 124.81 3ita s LEU 304 Ca 0.27 1.37 0.03 0.00 -0.22 0.00 0.00 54.13 55.58 3ita s LEU 304 Cb 0.16 -3.37 0.01 0.00 0.50 0.00 0.00 46.19 43.48 3ita s LEU 304 CO 0.22 -0.35 -0.19 -0.75 -1.32 0.00 0.00 176.35 173.95 3ita s LYS 305 N 1.74 2.49 -0.16 1.98 2.47 0.78 -4.96 119.74 124.07 3ita s LYS 305 Ca 0.44 -0.68 -0.05 0.00 -1.56 0.00 0.00 55.97 54.11 3ita s LYS 305 Cb -0.18 -1.94 -0.03 0.00 -1.46 0.00 0.00 37.83 34.21 3ita s LYS 305 CO 0.17 0.10 0.01 0.00 0.16 0.00 0.00 175.35 175.79 3ita s ALA 306 N 0.52 3.19 0.23 3.13 0.00 -1.26 0.02 121.76 127.58 3ita s ALA 306 Ca -0.16 -0.78 0.00 0.00 0.00 0.00 0.00 51.96 51.02 3ita s ALA 306 Cb -0.17 -1.71 -0.05 0.00 0.00 0.00 0.00 23.12 21.19 3ita s ALA 306 CO 0.06 0.22 0.10 -1.54 0.00 0.00 0.00 175.76 174.60 3ita s SER 307 N 0.31 0.77 0.05 0.00 1.04 0.17 -4.99 113.70 111.04 3ita s SER 307 Ca -0.00 -1.37 0.02 0.00 0.48 0.00 0.00 55.95 55.08 3ita s SER 307 Cb -0.13 0.25 -0.03 0.00 0.10 0.00 0.00 66.02 66.21 3ita s SER 307 CO 0.02 -0.76 -0.08 -0.72 0.98 0.00 0.00 173.24 172.67 3ita s TYR 308 N -3.91 0.73 0.18 5.02 1.13 -1.26 -0.34 117.35 118.89 3ita s TYR 308 Ca 0.37 -0.54 0.11 0.00 -1.41 0.00 0.00 57.07 55.60 3ita s TYR 308 Cb 0.07 -0.43 -0.04 0.00 -1.10 0.00 0.00 41.96 40.46 3ita s TYR 308 CO 0.12 -0.08 -0.24 0.95 -2.51 0.00 0.00 175.55 173.78 3ita s THR 309 N -1.61 2.36 -0.03 -3.49 -4.23 -0.60 -5.00 115.64 103.03 3ita s THR 309 Ca -0.07 -1.97 -0.01 0.00 -1.18 0.00 0.00 61.69 58.46 3ita s THR 309 Cb -0.08 -2.11 -0.04 0.00 1.34 0.00 0.00 72.50 71.61 3ita s THR 309 CO -0.00 -0.07 0.05 -0.76 -0.54 0.00 0.00 174.62 173.29 3ita s LEU 310 N -2.55 3.76 0.05 4.79 1.43 -1.26 -1.75 118.68 123.14 3ita s LEU 310 Ca 0.20 0.12 -0.20 0.00 -1.03 0.00 0.00 54.13 53.22 3ita s LEU 310 Cb -0.08 -2.10 -0.14 0.00 0.03 0.00 0.00 46.19 43.90 3ita s LEU 310 CO 0.09 0.30 1.34 0.71 0.23 0.00 0.00 176.35 179.03 3ita h THR 311 N 3.53 1.35 -3.07 5.49 1.35 -1.63 -3.45 112.91 116.48 3ita h THR 311 Ca -0.50 -1.37 -0.62 0.00 -0.55 0.00 0.00 66.41 63.37 3ita h THR 311 Cb 1.19 1.87 -0.12 0.00 -1.73 0.00 0.00 68.15 69.36 3ita h THR 311 CO 0.59 0.41 -0.67 -1.61 -0.25 0.00 0.00 175.52 173.99 3ita s GLU 312 N -4.25 2.42 0.55 4.72 2.02 -1.26 -5.01 118.70 117.89 3ita s GLU 312 Ca -0.14 -1.03 0.36 0.00 0.02 0.00 0.00 54.97 54.18 3ita s GLU 312 Cb 0.06 -2.40 1.68 0.00 0.10 0.00 0.00 34.13 33.56 3ita s GLU 312 CO 0.77 0.48 2.07 -1.35 0.02 0.00 0.00 175.26 177.25 3ita h PRO 313 N 2.98 0.00 -2.48 0.39 0.11 -1.99 -3.41 132.00 127.60 3ita h PRO 313 Ca -0.47 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.55 3ita h PRO 313 Cb 1.19 0.00 -0.24 0.00 0.11 0.00 0.00 31.00 32.06 3ita h PRO 313 CO 0.58 0.00 -0.18 -0.65 -0.21 0.00 0.00 178.00 177.54 3ita s GLN 314 N -3.79 0.52 0.01 1.05 -0.21 -1.26 -5.13 119.66 110.85 3ita s GLN 314 Ca -0.01 0.84 -0.30 0.00 0.02 0.00 0.00 55.36 55.92 3ita s GLN 314 Cb 0.10 0.11 -0.03 0.00 1.00 0.00 0.00 33.01 34.19 3ita s GLN 314 CO 0.47 -0.13 0.99 -0.51 -2.12 0.00 0.00 175.29 174.00 3ita s LEU 315 N 1.07 4.38 -0.03 2.90 1.02 -1.26 -4.99 118.68 121.77 3ita s LEU 315 Ca -0.06 1.70 0.07 0.00 0.02 0.00 0.00 54.13 55.85 3ita s LEU 315 Cb -0.06 -3.57 -0.02 0.00 0.02 0.00 0.00 46.19 42.56 3ita s LEU 315 CO -0.10 -0.26 -0.24 0.42 0.02 0.00 0.00 176.35 176.20 3ita s THR 316 N 0.92 2.25 0.82 5.49 -4.23 -1.26 -0.94 115.64 118.68 3ita s THR 316 Ca 0.52 -1.03 -0.11 0.00 -1.18 0.00 0.00 61.69 59.88 3ita s THR 316 Cb -0.22 -1.80 0.08 0.00 1.34 0.00 0.00 72.50 71.91 3ita s THR 316 CO 0.28 0.58 1.09 0.00 -0.54 0.00 0.00 174.62 176.03 3ita s ALA 317 N -0.62 2.01 0.44 3.99 0.00 -0.53 -4.58 121.76 122.47 3ita s ALA 317 Ca 0.10 0.05 -0.21 0.00 0.00 0.00 0.00 51.96 51.89 3ita s ALA 317 Cb -0.10 -3.21 -0.10 0.00 0.00 0.00 0.00 23.12 19.71 3ita s ALA 317 CO -0.01 -1.95 0.99 -1.25 0.00 0.00 0.00 175.76 173.54 3ita s PRO 318 N -4.97 4.11 -0.01 0.00 0.04 -1.26 -4.85 135.00 128.06 3ita s PRO 318 Ca 0.62 1.26 0.07 0.00 0.04 0.00 0.00 61.00 62.98 3ita s PRO 318 Cb -0.17 -2.24 -0.02 0.00 0.04 0.00 0.00 34.50 32.12 3ita s PRO 318 CO 0.56 -0.15 -0.22 -0.51 0.04 0.00 0.00 177.00 176.72 3ita s LEU 319 N -3.14 2.06 -0.02 -3.56 1.43 0.28 -4.98 118.68 110.74 3ita s LEU 319 Ca 0.62 -0.41 0.07 0.00 -1.03 0.00 0.00 54.13 53.38 3ita s LEU 319 Cb -0.14 -1.13 -0.02 0.00 0.03 0.00 0.00 46.19 44.93 3ita s LEU 319 CO 0.18 0.26 -0.22 -0.54 0.23 0.00 0.00 176.35 176.26 3ita s LYS 320 N -0.59 2.22 -0.31 1.70 1.02 -1.26 -1.37 119.74 121.15 3ita s LYS 320 Ca 0.09 -0.87 -0.43 0.00 0.02 0.00 0.00 55.97 54.78 3ita s LYS 320 Cb -0.09 -2.16 -0.19 0.00 -0.52 0.00 0.00 37.83 34.87 3ita s LYS 320 CO -0.01 0.58 1.37 1.63 -0.92 0.00 0.00 175.35 178.00 3ita n LYS 321 N 2.29 0.00 -0.06 1.68 5.02 -1.26 -1.26 118.16 124.57 3ita n LYS 321 Ca -0.16 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.13 3ita n LYS 321 Cb 0.52 -1.46 0.00 0.00 -0.02 0.00 0.00 35.03 34.06 3ita n LYS 321 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3ita n GLY 322 N 2.99 0.74 3.74 0.72 0.00 0.15 -4.96 105.19 108.57 3ita n GLY 322 Ca 0.26 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.87 3ita n GLY 322 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3ita s GLN 323 N -0.74 4.40 -0.00 1.61 0.74 -0.39 -4.67 119.66 120.61 3ita s GLN 323 Ca 0.00 2.03 -0.28 0.00 0.05 0.00 0.00 55.36 57.16 3ita s GLN 323 Cb 0.00 -3.20 -0.04 0.00 1.10 0.00 0.00 33.01 30.87 3ita s GLN 323 CO 0.00 -0.23 0.88 0.08 -0.55 0.00 0.00 175.29 175.47 3ita s VAL 324 N 0.07 4.86 0.00 1.34 1.01 -1.26 -1.16 120.40 125.25 3ita s VAL 324 Ca 0.56 1.84 0.00 0.00 0.00 0.00 0.00 61.98 64.38 3ita s VAL 324 Cb -0.36 -4.22 0.00 0.00 0.00 0.00 0.00 36.38 31.80 3ita s VAL 324 CO 0.38 0.23 0.34 1.33 0.00 0.00 0.00 175.10 177.38 3ita n VAL 325 N 3.61 0.09 -0.85 2.92 0.24 -0.32 -5.00 118.33 119.02 3ita n VAL 325 Ca 0.03 -0.14 0.00 0.00 -2.04 0.00 0.00 64.34 62.18 3ita n VAL 325 Cb 0.51 1.36 0.00 0.00 -1.47 0.00 0.00 33.84 34.24 3ita n VAL 325 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3ita n GLY 326 N -0.05 -0.72 2.85 7.63 0.00 -1.19 -1.54 105.19 112.17 3ita n GLY 326 Ca 0.00 -0.41 -0.14 0.00 0.00 0.00 0.00 46.02 45.47 3ita n GLY 326 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ita s THR 327 N -3.73 0.04 -0.17 2.61 -4.23 -0.71 -1.22 115.64 108.23 3ita s THR 327 Ca 0.00 0.05 -0.09 0.00 -1.18 0.00 0.00 61.69 60.47 3ita s THR 327 Cb 0.00 -0.09 -0.05 0.00 1.34 0.00 0.00 72.50 73.70 3ita s THR 327 CO 0.00 0.05 0.13 -0.63 -0.54 0.00 0.00 174.62 173.63 3ita s ILE 328 N 0.40 5.41 -0.13 2.99 1.01 0.12 -1.56 121.20 129.43 3ita s ILE 328 Ca -0.03 0.18 -0.00 0.00 0.00 0.00 0.00 60.65 60.80 3ita s ILE 328 Cb -0.05 -3.43 -0.02 0.00 0.01 0.00 0.00 42.46 38.97 3ita s ILE 328 CO -0.01 0.50 -0.12 -0.62 0.00 0.00 0.00 174.94 174.68 3ita s ASP 329 N -0.06 4.07 -0.18 3.58 -1.08 0.54 -0.51 116.67 123.03 3ita s ASP 329 Ca 0.10 -0.31 -0.05 0.00 -0.52 0.00 0.00 52.55 51.77 3ita s ASP 329 Cb -0.11 -1.61 -0.03 0.00 -1.46 0.00 0.00 42.92 39.71 3ita s ASP 329 CO -0.00 0.17 -0.01 -0.36 0.52 0.00 0.00 175.17 175.49 3ita s PHE 330 N 0.32 3.05 -0.01 -5.34 0.40 0.14 -0.66 117.98 115.89 3ita s PHE 330 Ca -0.10 -0.36 0.07 0.00 -0.60 0.00 0.00 56.93 55.95 3ita s PHE 330 Cb -0.16 -2.03 -0.02 0.00 0.51 0.00 0.00 43.02 41.32 3ita s PHE 330 CO 0.05 -0.13 -0.23 -0.65 0.70 0.00 0.00 175.22 174.97 3ita s GLN 331 N 0.70 1.80 -0.21 0.44 -0.21 0.10 -0.26 119.66 122.02 3ita s GLN 331 Ca -0.01 -0.83 -0.04 0.00 0.02 0.00 0.00 55.36 54.51 3ita s GLN 331 Cb -0.14 -1.76 -0.01 0.00 1.00 0.00 0.00 33.01 32.10 3ita s GLN 331 CO 0.02 0.48 -0.04 -1.17 -2.12 0.00 0.00 175.29 172.46 3ita s LEU 332 N -0.59 2.94 -0.98 2.90 2.96 0.21 -0.16 118.68 125.96 3ita s LEU 332 Ca 0.09 -0.35 -0.13 0.00 -0.22 0.00 0.00 54.13 53.52 3ita s LEU 332 Cb -0.09 -1.74 0.00 0.00 0.50 0.00 0.00 46.19 44.86 3ita s LEU 332 CO -0.01 0.01 0.70 0.59 -1.32 0.00 0.00 176.35 176.33 3ita n ASN 333 N 4.57 -5.42 0.00 3.68 4.13 -1.17 -1.61 115.26 119.43 3ita n ASN 333 Ca -0.18 -0.89 0.00 0.00 1.68 0.00 0.00 54.58 55.19 3ita n ASN 333 Cb 0.51 -2.89 0.00 0.00 -1.54 0.00 0.00 39.78 35.86 3ita n ASN 333 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3ita n GLY 334 N -1.75 0.81 3.38 7.41 0.00 -1.26 -4.93 105.19 108.84 3ita n GLY 334 Ca -0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.30 2.99 -0.06 1.61 2.20 -0.64 -5.05 119.74 120.50 3ita s LYS 335 Ca 0.00 -0.73 -0.30 0.00 -0.36 0.00 0.00 55.97 54.58 3ita s LYS 335 Cb 0.00 -2.47 -0.03 0.00 -1.51 0.00 0.00 37.83 33.82 3ita s LYS 335 CO 0.00 0.36 1.09 0.45 -0.36 0.00 0.00 175.35 176.89 3ita s SER 336 N -0.04 7.18 -0.04 1.43 0.15 -1.26 0.64 113.70 121.76 3ita s SER 336 Ca -0.04 1.70 0.08 0.00 0.70 0.00 0.00 55.95 58.39 3ita s SER 336 Cb -0.14 -2.56 -0.12 0.00 -1.71 0.00 0.00 66.02 61.49 3ita s SER 336 CO 0.04 -0.47 0.12 2.30 1.20 0.00 0.00 173.24 176.43 3ita n ILE 337 N 4.43 0.23 -3.73 6.45 -5.35 0.64 -4.90 119.36 117.13 3ita n ILE 337 Ca 0.09 -0.25 -0.12 0.00 -0.27 0.00 0.00 62.75 62.20 3ita n ILE 337 Cb 0.48 -0.15 -0.10 0.00 -1.74 0.00 0.00 39.64 38.12 3ita n ILE 337 CO 0.00 0.00 0.00 -0.70 -1.76 0.00 0.00 176.55 174.09 3ita s GLU 338 N -2.42 0.44 0.08 6.28 2.56 -1.06 -5.02 118.70 119.55 3ita s GLU 338 Ca -0.03 0.61 0.10 0.00 0.00 0.00 0.00 54.97 55.65 3ita s GLU 338 Cb 0.04 0.15 -0.03 0.00 2.00 0.00 0.00 34.13 36.29 3ita s GLU 338 CO 0.34 -0.08 -0.26 -0.65 -0.56 0.00 0.00 175.26 174.04 3ita s GLN 339 N 0.54 1.65 0.09 4.30 -0.21 -1.26 0.28 119.66 125.05 3ita s GLN 339 Ca -0.03 -1.20 0.02 0.00 0.02 0.00 0.00 55.36 54.18 3ita s GLN 339 Cb -0.04 -1.95 -0.04 0.00 1.00 0.00 0.00 33.01 31.98 3ita s GLN 339 CO -0.03 0.49 -0.08 1.03 -2.12 0.00 0.00 175.29 174.58 3ita s ARG 340 N -1.56 0.77 0.29 2.91 1.81 0.33 -4.97 118.95 118.53 3ita s ARG 340 Ca 0.13 -1.15 -0.30 0.00 -1.72 0.00 0.00 55.73 52.69 3ita s ARG 340 Cb -0.10 -0.33 -0.11 0.00 -0.45 0.00 0.00 34.95 33.96 3ita s ARG 340 CO 0.04 0.03 1.50 -2.14 -0.68 0.00 0.00 175.30 174.05 3ita s PRO 341 N -2.99 4.19 -0.36 3.54 0.02 -1.26 0.13 135.00 138.27 3ita s PRO 341 Ca 0.05 2.45 -0.22 0.00 0.02 0.00 0.00 61.00 63.29 3ita s PRO 341 Cb -0.01 -3.05 0.01 0.00 0.02 0.00 0.00 34.50 31.47 3ita s PRO 341 CO -0.02 -0.51 0.74 -1.17 -0.33 0.00 0.00 177.00 175.71 3ita s LEU 342 N -0.77 4.17 0.17 -5.54 2.96 -0.36 -4.63 118.68 114.68 3ita s LEU 342 Ca 0.59 0.29 0.09 0.00 -0.22 0.00 0.00 54.13 54.88 3ita s LEU 342 Cb -0.45 -2.95 -0.04 0.00 0.50 0.00 0.00 46.19 43.25 3ita s LEU 342 CO 0.49 -0.68 -0.12 0.27 -1.32 0.00 0.00 176.35 174.98 3ita s ILE 343 N 2.97 3.09 0.04 6.68 -4.36 -0.11 -1.18 121.20 128.33 3ita s ILE 343 Ca 0.29 -1.64 -0.31 0.00 -0.26 0.00 0.00 60.65 58.74 3ita s ILE 343 Cb -0.14 -2.51 -0.06 0.00 1.25 0.00 0.00 42.46 41.01 3ita s ILE 343 CO 0.16 -0.06 1.39 -0.69 0.24 0.00 0.00 174.94 175.97 3ita s VAL 344 N -1.59 3.60 -1.65 8.37 1.01 -0.31 -0.77 120.40 129.07 3ita s VAL 344 Ca 0.23 1.06 0.25 0.00 0.00 0.00 0.00 61.98 63.52 3ita s VAL 344 Cb -0.09 -3.68 0.12 0.00 0.00 0.00 0.00 36.38 32.72 3ita s VAL 344 CO 0.14 0.03 1.37 0.23 0.00 0.00 0.00 175.10 176.86 3ita n MET 345 N 4.86 0.73 -3.58 2.72 0.00 0.16 -0.67 117.12 121.34 3ita n MET 345 Ca 0.12 -0.50 -0.17 0.00 0.00 0.00 0.00 57.70 57.16 3ita n MET 345 Cb 0.43 -1.49 -0.07 0.00 0.00 0.00 0.00 33.22 32.10 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 -2.61 0.95 0.21 0.03 -1.05 -1.26 -4.89 118.70 110.07 3ita s GLU 346 Ca 0.19 0.20 -0.30 0.00 -0.15 0.00 0.00 54.97 54.91 3ita s GLU 346 Cb 0.18 0.44 -0.08 0.00 -0.44 0.00 0.00 34.13 34.24 3ita s GLU 346 CO 0.59 -0.28 0.98 -0.80 0.95 0.00 0.00 175.26 176.70 3ita s ASN 347 N -1.12 7.53 -0.24 0.83 0.02 -1.26 -4.11 114.94 116.59 3ita s ASN 347 Ca -0.11 1.96 -0.02 0.00 -1.02 0.00 0.00 52.86 53.67 3ita s ASN 347 Cb -0.01 -2.61 0.08 0.00 0.02 0.00 0.00 41.25 38.72 3ita s ASN 347 CO 0.08 0.04 0.06 -0.69 0.02 0.00 0.00 177.10 176.60 3ita s VAL 348 N -0.81 0.64 0.79 1.60 1.01 -0.47 -4.99 120.40 118.18 3ita s VAL 348 Ca 0.44 -0.88 -0.11 0.00 0.00 0.00 0.00 61.98 61.42 3ita s VAL 348 Cb -0.26 -1.27 0.07 0.00 0.00 0.00 0.00 36.38 34.91 3ita s VAL 348 CO 0.33 -0.39 1.09 -1.61 0.00 0.00 0.00 175.10 174.51 3ita s GLU 349 N 1.78 2.10 0.38 2.72 2.02 -1.26 -0.56 118.70 125.89 3ita s GLU 349 Ca 0.03 0.75 -0.27 0.00 0.02 0.00 0.00 54.97 55.51 3ita s GLU 349 Cb -0.17 -1.91 -0.11 0.00 0.10 0.00 0.00 34.13 32.04 3ita s GLU 349 CO -0.16 -1.63 1.28 0.39 0.02 0.00 0.00 175.26 175.16 3ita n GLU 350 N -3.46 2.04 -0.61 1.61 1.02 -1.26 -0.63 120.64 119.35 3ita n GLU 350 Ca 0.07 0.72 -0.29 0.00 -0.02 0.00 0.00 57.16 57.64 3ita n GLU 350 Cb 0.55 -2.36 0.22 0.00 -0.02 0.00 0.00 31.44 29.83 3ita n GLU 350 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 3ita s GLY 351 N -0.42 1.59 0.00 0.62 0.00 0.20 -4.31 107.32 105.01 3ita s GLY 351 Ca 0.58 0.11 0.00 0.00 0.00 0.00 0.00 44.72 45.41 3ita s GLY 351 CO 0.60 0.73 0.00 0.61 0.00 0.00 0.00 173.10 175.04