#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ita n GLN 4 N 0.00 0.55 0.21 5.31 1.13 -1.26 -4.70 117.38 118.62 3ita n GLN 4 Ca 0.00 -0.05 -0.13 0.00 -1.94 0.00 0.00 57.00 54.88 3ita n GLN 4 Cb 0.00 -1.14 -0.07 0.00 0.11 0.00 0.00 30.24 29.14 3ita n GLN 4 CO 0.00 0.00 0.00 1.15 -1.44 0.00 0.00 177.06 176.77 3ita h THR 5 N 0.00 0.45 -3.53 5.09 2.02 -1.99 -3.42 112.91 111.53 3ita h THR 5 Ca -0.02 -0.56 -0.61 0.00 0.77 0.00 0.00 66.41 66.00 3ita h THR 5 Cb 0.40 0.66 -0.12 0.00 -1.74 0.00 0.00 68.15 67.35 3ita h THR 5 CO 0.00 0.08 -0.19 -0.69 0.37 0.00 0.00 175.52 175.09 3ita s VAL 6 N -4.43 5.18 0.12 3.16 1.01 -1.26 -5.03 120.40 119.15 3ita s VAL 6 Ca -0.13 0.69 -0.32 0.00 0.00 0.00 0.00 61.98 62.22 3ita s VAL 6 Cb 0.02 -3.73 -0.11 0.00 0.00 0.00 0.00 36.38 32.55 3ita s VAL 6 CO 0.48 0.22 1.80 -0.62 0.00 0.00 0.00 175.10 176.97 3ita n GLU 7 N 4.71 2.65 -2.89 2.72 -0.58 -1.26 -4.97 120.64 121.03 3ita n GLU 7 Ca -0.08 0.96 -0.27 0.00 -0.42 0.00 0.00 57.16 57.35 3ita n GLU 7 Cb 0.51 -2.83 -0.01 0.00 -0.57 0.00 0.00 31.44 28.54 3ita n GLU 7 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3ita s ALA 8 N 2.46 3.48 0.66 0.62 0.00 -1.26 -5.04 121.76 122.68 3ita s ALA 8 Ca 0.82 -0.58 -0.13 0.00 0.00 0.00 0.00 51.96 52.07 3ita s ALA 8 Cb -0.53 -2.46 -0.01 0.00 0.00 0.00 0.00 23.12 20.12 3ita s ALA 8 CO 0.38 -0.19 1.06 -2.14 0.00 0.00 0.00 175.76 174.87 3ita s PRO 9 N -4.46 3.03 0.34 0.00 0.02 -1.26 -5.02 135.00 127.64 3ita s PRO 9 Ca 0.46 1.11 -0.27 0.00 0.02 0.00 0.00 61.00 62.31 3ita s PRO 9 Cb -0.10 -2.00 -0.09 0.00 0.02 0.00 0.00 34.50 32.33 3ita s PRO 9 CO 0.40 -1.04 1.14 -1.12 -0.33 0.00 0.00 177.00 176.06 3ita s SER 10 N -3.25 6.93 0.04 2.53 0.01 -1.26 -5.00 113.70 113.70 3ita s SER 10 Ca 0.61 2.32 0.07 0.00 1.31 0.00 0.00 55.95 60.26 3ita s SER 10 Cb -0.16 -2.62 -0.02 0.00 0.21 0.00 0.00 66.02 63.43 3ita s SER 10 CO 0.46 -0.39 -0.20 0.68 0.41 0.00 0.00 173.24 174.21 3ita s VAL 11 N -1.29 1.60 -1.17 3.43 -7.23 -1.26 -5.05 120.40 109.43 3ita s VAL 11 Ca 0.50 -1.15 -0.08 0.00 -1.81 0.00 0.00 61.98 59.45 3ita s VAL 11 Cb -0.31 -1.39 0.24 0.00 0.56 0.00 0.00 36.38 35.48 3ita s VAL 11 CO 0.40 0.20 1.52 -0.67 -0.31 0.00 0.00 175.10 176.25 3ita n ASP 12 N 1.92 5.69 -3.56 4.85 2.03 -1.26 -4.90 116.55 121.32 3ita n ASP 12 Ca -0.17 -3.19 -0.09 0.00 0.52 0.00 0.00 54.79 51.85 3ita n ASP 12 Cb 0.53 -1.40 -0.02 0.00 -0.72 0.00 0.00 41.12 39.52 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 -0.93 -1.57 0.17 -1.67 0.00 -1.26 -4.62 121.76 111.87 3ita s ALA 13 Ca 0.35 0.39 -0.10 0.00 0.00 0.00 0.00 51.96 52.60 3ita s ALA 13 Cb 0.02 0.77 0.04 0.00 0.00 0.00 0.00 23.12 23.95 3ita s ALA 13 CO 0.03 -0.83 1.61 -0.09 0.00 0.00 0.00 175.76 176.47 3ita h ARG 14 N 2.00 1.00 -3.21 0.00 9.65 -1.08 -3.46 114.38 119.28 3ita h ARG 14 Ca -0.28 -0.34 -0.07 0.00 -1.10 0.00 0.00 59.98 58.19 3ita h ARG 14 Cb 1.28 -0.08 -0.15 0.00 -1.39 0.00 0.00 29.97 29.63 3ita h ARG 14 CO 0.32 1.02 -0.13 0.00 2.80 0.00 0.00 179.97 183.98 3ita s ALA 15 N -4.94 -0.89 0.15 2.80 0.00 -1.05 -4.63 121.76 113.19 3ita s ALA 15 Ca -0.12 0.11 -0.24 0.00 0.00 0.00 0.00 51.96 51.71 3ita s ALA 15 Cb 0.13 0.45 0.06 0.00 0.00 0.00 0.00 23.12 23.76 3ita s ALA 15 CO 0.85 -0.50 0.76 1.67 0.00 0.00 0.00 175.76 178.54 3ita s TRP 16 N -2.93 -0.34 -0.01 0.00 -2.14 -0.45 -1.37 118.94 111.70 3ita s TRP 16 Ca -0.02 0.07 -0.21 0.00 2.66 0.00 0.00 56.10 58.59 3ita s TRP 16 Cb 0.00 0.61 0.04 0.00 -3.10 0.00 0.00 33.47 31.02 3ita s TRP 16 CO -0.06 -0.87 0.46 -1.50 -2.66 0.00 0.00 176.95 172.32 3ita s ILE 17 N -3.56 0.04 -0.08 0.66 2.07 -0.50 -1.65 121.20 118.17 3ita s ILE 17 Ca 0.06 -0.31 0.00 0.00 -1.41 0.00 0.00 60.65 59.00 3ita s ILE 17 Cb -0.02 -0.83 0.02 0.00 0.13 0.00 0.00 42.46 41.76 3ita s ILE 17 CO -0.05 -0.17 -0.07 -0.22 -1.91 0.00 0.00 174.94 172.52 3ita s LEU 18 N -1.47 1.25 -0.01 8.50 2.96 -0.26 -1.12 118.68 128.54 3ita s LEU 18 Ca -0.10 -0.24 0.03 0.00 -0.22 0.00 0.00 54.13 53.59 3ita s LEU 18 Cb -0.02 -0.71 -0.01 0.00 0.50 0.00 0.00 46.19 45.95 3ita s LEU 18 CO 0.04 -0.08 -0.09 -0.32 -1.32 0.00 0.00 176.35 174.59 3ita s MET 19 N 1.32 0.72 0.13 1.98 -2.45 0.32 -0.56 119.30 120.75 3ita s MET 19 Ca -0.03 -0.32 -0.30 0.00 -1.25 0.00 0.00 55.69 53.79 3ita s MET 19 Cb -0.14 -0.69 -0.06 0.00 1.25 0.00 0.00 34.83 35.19 3ita s MET 19 CO -0.03 0.19 0.95 0.34 1.05 0.00 0.00 175.02 177.52 3ita s ASP 20 N -0.21 7.51 0.09 1.11 -1.08 0.05 -0.23 116.67 123.90 3ita s ASP 20 Ca 0.03 1.80 -0.15 0.00 -0.52 0.00 0.00 52.55 53.71 3ita s ASP 20 Cb -0.03 -2.58 -0.11 0.00 -1.46 0.00 0.00 42.92 38.73 3ita s ASP 20 CO -0.00 -0.03 1.36 0.22 0.52 0.00 0.00 175.17 177.24 3ita h TYR 21 N 5.37 0.88 -0.02 -5.34 3.20 -1.50 0.82 116.97 120.37 3ita h TYR 21 Ca -0.43 -0.31 -0.24 0.00 3.14 0.00 0.00 58.73 60.88 3ita h TYR 21 Cb 1.21 -0.17 0.01 0.00 1.54 0.00 0.00 36.73 39.33 3ita h TYR 21 CO 0.64 1.09 -0.96 0.00 -1.64 0.00 0.00 178.16 177.29 3ita h ALA 22 N 0.63 0.26 0.00 1.82 0.00 -1.94 -3.34 119.26 116.69 3ita h ALA 22 Ca 0.01 -0.69 -0.10 0.00 0.00 0.00 0.00 54.91 54.14 3ita h ALA 22 Cb 1.02 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 3ita h ALA 22 CO 0.10 0.74 -1.88 -1.13 0.00 0.00 0.00 179.25 177.07 3ita n SER 23 N -3.82 1.10 0.00 0.00 3.41 -1.24 -4.77 113.62 108.30 3ita n SER 23 Ca -0.09 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.52 3ita n SER 23 Cb 0.84 1.47 0.00 0.00 -0.26 0.00 0.00 64.21 66.27 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 1.70 0.71 3.74 5.00 0.00 0.28 -4.96 105.19 111.66 3ita n GLY 24 Ca -0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.12 4.20 -0.34 1.61 2.47 -1.25 -4.65 119.74 121.66 3ita s LYS 25 Ca 0.00 2.43 -0.20 0.00 -1.56 0.00 0.00 55.97 56.63 3ita s LYS 25 Cb 0.00 -3.09 -0.00 0.00 -1.46 0.00 0.00 37.83 33.28 3ita s LYS 25 CO 0.00 -0.55 0.64 0.08 0.16 0.00 0.00 175.35 175.68 3ita s VAL 26 N 0.34 4.90 -0.13 4.02 1.01 -1.26 -0.77 120.40 128.50 3ita s VAL 26 Ca 0.64 0.68 0.17 0.00 0.00 0.00 0.00 61.98 63.47 3ita s VAL 26 Cb -0.45 -4.06 -0.11 0.00 0.00 0.00 0.00 36.38 31.77 3ita s VAL 26 CO 0.41 -0.27 0.90 -0.07 0.00 0.00 0.00 175.10 176.07 3ita h LEU 27 N 9.33 0.00 -7.05 3.92 3.38 -1.20 -3.11 115.31 120.58 3ita h LEU 27 Ca -0.26 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.64 3ita h LEU 27 Cb 1.11 0.00 -0.19 0.00 0.09 0.00 0.00 40.66 41.67 3ita h LEU 27 CO 0.83 0.53 0.15 0.00 0.09 0.00 0.00 178.44 180.03 3ita s ALA 28 N -2.96 -1.68 -0.05 1.53 0.00 -1.19 -4.63 121.76 112.79 3ita s ALA 28 Ca -0.02 1.20 -0.29 0.00 0.00 0.00 0.00 51.96 52.85 3ita s ALA 28 Cb 0.09 0.04 0.09 0.00 0.00 0.00 0.00 23.12 23.33 3ita s ALA 28 CO 0.80 -0.37 0.79 -1.83 0.00 0.00 0.00 175.76 175.14 3ita s GLU 29 N -1.29 0.93 -0.14 0.00 -1.05 -1.26 -1.10 118.70 114.79 3ita s GLU 29 Ca -0.11 0.05 -0.08 0.00 -0.15 0.00 0.00 54.97 54.68 3ita s GLU 29 Cb -0.00 0.43 0.05 0.00 -0.44 0.00 0.00 34.13 34.17 3ita s GLU 29 CO 0.09 -0.33 0.34 0.20 0.95 0.00 0.00 175.26 176.51 3ita s GLY 30 N -1.56 -0.24 -1.71 -3.83 0.00 -0.66 -4.92 107.32 94.39 3ita s GLY 30 Ca -0.05 1.24 -0.18 0.00 0.00 0.00 0.00 44.72 45.73 3ita s GLY 30 CO 0.02 1.39 0.74 0.70 0.00 0.00 0.00 173.10 175.95 3ita n ASN 31 N 4.04 -2.96 0.00 1.64 3.02 -1.26 -1.34 115.26 118.40 3ita n ASN 31 Ca -0.23 -1.04 0.09 0.00 -0.03 0.00 0.00 54.58 53.38 3ita n ASN 31 Cb 0.55 -2.62 0.42 0.00 -0.61 0.00 0.00 39.78 37.51 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 -4.35 1.90 0.26 5.41 0.00 -1.26 -2.43 120.51 120.03 3ita n ALA 32 Ca 0.06 -0.07 0.03 0.00 0.00 0.00 0.00 53.44 53.46 3ita n ALA 32 Cb 0.50 -1.31 0.01 0.00 0.00 0.00 0.00 19.45 18.65 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 -1.48 1.27 -4.69 0.00 8.00 -1.26 -1.01 116.55 117.38 3ita n ASP 33 Ca 0.05 -1.13 -0.42 0.00 0.71 0.00 0.00 54.79 53.99 3ita n ASP 33 Cb 0.22 0.20 -0.03 0.00 -0.02 0.00 0.00 41.12 41.49 3ita n ASP 33 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 3ita n GLU 34 N 0.05 2.79 -2.52 -1.24 2.13 -1.02 -4.92 120.64 115.91 3ita n GLU 34 Ca 0.03 1.01 -0.40 0.00 0.66 0.00 0.00 57.16 58.46 3ita n GLU 34 Cb 0.14 -2.91 -0.04 0.00 0.27 0.00 0.00 31.44 28.90 3ita n GLU 34 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 3ita s LYS 35 N 2.81 4.66 -0.13 5.31 1.02 -1.26 -4.46 119.74 127.69 3ita s LYS 35 Ca 0.82 1.74 -0.14 0.00 0.02 0.00 0.00 55.97 58.41 3ita s LYS 35 Cb -0.48 -3.22 0.04 0.00 -0.52 0.00 0.00 37.83 33.64 3ita s LYS 35 CO 0.38 0.21 0.39 -0.51 -0.92 0.00 0.00 175.35 174.90 3ita s LEU 36 N -1.13 0.51 -0.00 3.17 1.43 -0.31 -4.96 118.68 117.38 3ita s LEU 36 Ca 0.45 0.70 -0.31 0.00 -1.03 0.00 0.00 54.13 53.94 3ita s LEU 36 Cb -0.31 1.38 -0.09 0.00 0.03 0.00 0.00 46.19 47.20 3ita s LEU 36 CO 0.38 -0.19 1.98 -0.67 0.23 0.00 0.00 176.35 178.08 3ita n ASP 37 N 2.59 3.99 0.02 2.29 4.64 -1.25 -1.48 116.55 127.35 3ita n ASP 37 Ca -0.14 0.87 0.12 0.00 -1.38 0.00 0.00 54.79 54.25 3ita n ASP 37 Cb 0.57 -1.50 0.50 0.00 -1.04 0.00 0.00 41.12 39.65 3ita n ASP 37 CO 0.00 0.00 0.00 -0.81 -0.82 0.00 0.00 177.20 175.57 3ita n PRO 38 N 7.48 0.04 0.00 -0.67 -0.04 -1.26 -4.82 135.00 135.73 3ita n PRO 38 Ca 0.21 0.12 0.00 0.00 -0.04 0.00 0.00 63.50 63.79 3ita n PRO 38 Cb 0.39 -1.55 0.00 0.00 -0.04 0.00 0.00 33.50 32.30 3ita n PRO 38 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3ita n ALA 39 N -1.54 0.00 0.40 0.55 0.00 -1.26 -1.67 120.51 116.99 3ita n ALA 39 Ca 0.06 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.57 3ita n ALA 39 Cb 0.29 0.00 0.32 0.00 0.00 0.00 0.00 19.45 20.06 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 3.61 0.16 0.29 0.00 7.64 -1.21 -1.48 113.62 122.62 3ita n SER 40 Ca 0.00 0.54 0.18 0.00 1.01 0.00 0.00 58.87 60.61 3ita n SER 40 Cb 0.00 -0.57 0.78 0.00 -1.01 0.00 0.00 64.21 63.40 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 -1.57 -3.43 3.38 -1.54 -1.94 115.31 110.21 3ita h LEU 41 Ca 0.00 0.00 0.42 0.00 0.09 0.00 0.00 57.88 58.39 3ita h LEU 41 Cb 0.23 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 40.88 3ita h LEU 41 CO 0.00 0.00 0.92 0.74 0.09 0.00 0.00 178.44 180.19 3ita h THR 42 N 0.00 0.20 0.00 0.22 2.02 -1.44 -1.32 112.91 112.59 3ita h THR 42 Ca 0.00 -0.04 0.00 0.00 0.77 0.00 0.00 66.41 67.14 3ita h THR 42 Cb 0.42 0.08 0.00 0.00 -1.74 0.00 0.00 68.15 66.91 3ita h THR 42 CO 0.00 0.02 0.00 0.29 0.37 0.00 0.00 175.52 176.20 3ita n LYS 43 N -4.49 0.18 -0.17 6.66 5.02 -0.73 -1.41 118.16 123.22 3ita n LYS 43 Ca 0.35 0.44 -0.07 0.00 -2.02 0.00 0.00 58.31 57.01 3ita n LYS 43 Cb 1.42 -1.86 0.02 0.00 -0.02 0.00 0.00 35.03 34.59 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 1.16 -0.17 -0.18 2.04 -1.46 -0.21 117.51 118.69 3ita h ILE 44 Ca 0.00 -0.37 -0.19 0.00 1.00 0.00 0.00 64.86 65.29 3ita h ILE 44 Cb 0.31 0.51 0.00 0.00 -0.74 0.00 0.00 36.82 36.90 3ita h ILE 44 CO 0.00 0.16 -0.68 -0.03 0.00 0.00 0.00 178.15 177.61 3ita h MET 45 N 0.66 0.68 -0.55 2.37 4.05 -1.40 -0.32 114.93 120.41 3ita h MET 45 Ca 0.18 -0.50 0.10 0.00 -0.28 0.00 0.00 59.70 59.19 3ita h MET 45 Cb 0.01 0.09 -0.08 0.00 -0.80 0.00 0.00 31.60 30.82 3ita h MET 45 CO -0.03 1.12 0.12 1.15 0.23 0.00 0.00 176.91 179.50 3ita h THR 46 N 0.49 0.70 -0.45 -0.77 2.02 -1.21 -0.96 112.91 112.72 3ita h THR 46 Ca -0.02 -0.09 -0.09 0.00 0.77 0.00 0.00 66.41 66.97 3ita h THR 46 Cb 1.27 0.41 -0.02 0.00 -1.74 0.00 0.00 68.15 68.07 3ita h THR 46 CO 0.13 0.05 -0.10 -1.28 0.37 0.00 0.00 175.52 174.69 3ita h SER 47 N 0.26 0.79 -0.26 4.18 0.87 -0.80 -2.15 113.55 116.44 3ita h SER 47 Ca 0.28 -0.24 0.03 0.00 -1.23 0.00 0.00 61.79 60.64 3ita h SER 47 Cb 0.39 -0.21 -0.03 0.00 -0.44 0.00 0.00 62.40 62.10 3ita h SER 47 CO -0.35 0.92 0.06 0.22 -0.53 0.00 0.00 176.83 177.15 3ita h TYR 48 N 0.73 0.10 0.09 2.24 3.20 -0.15 0.20 116.97 123.37 3ita h TYR 48 Ca 0.12 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.00 3ita h TYR 48 Cb 0.59 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 38.85 3ita h TYR 48 CO 0.03 0.03 -0.04 0.28 -1.64 0.00 0.00 178.16 176.82 3ita h VAL 49 N 0.16 1.07 -0.41 1.81 2.07 -1.02 -1.10 116.25 118.84 3ita h VAL 49 Ca 0.12 -0.58 -0.00 0.00 0.82 0.00 0.00 66.70 67.06 3ita h VAL 49 Cb 0.12 1.45 -0.02 0.00 -1.52 0.00 0.00 31.29 31.31 3ita h VAL 49 CO -0.15 0.14 0.25 -0.37 0.02 0.00 0.00 177.57 177.46 3ita h VAL 50 N -0.38 1.12 -0.03 2.57 -1.51 -1.26 -1.42 116.25 115.34 3ita h VAL 50 Ca -0.01 -0.27 -0.10 0.00 -1.23 0.00 0.00 66.70 65.09 3ita h VAL 50 Cb 0.32 0.54 -0.01 0.00 -2.13 0.00 0.00 31.29 30.01 3ita h VAL 50 CO 0.02 0.12 -0.44 1.23 -1.23 0.00 0.00 177.57 177.27 3ita h GLY 51 N 0.60 0.07 0.84 5.19 0.00 -0.34 -0.87 103.07 108.56 3ita h GLY 51 Ca 0.15 -0.06 -0.05 0.00 0.00 0.00 0.00 47.33 47.37 3ita h GLY 51 CO -0.03 0.06 -0.05 1.46 0.00 0.00 0.00 176.54 177.98 3ita h GLN 52 N 0.05 0.46 -0.36 4.80 1.08 -0.23 -0.73 115.11 120.18 3ita h GLN 52 Ca 0.00 -0.17 0.07 0.00 -1.45 0.00 0.00 58.65 57.10 3ita h GLN 52 Cb 0.81 -0.03 -0.09 0.00 -0.05 0.00 0.00 27.48 28.12 3ita h GLN 52 CO 0.06 0.68 -0.38 0.00 -0.95 0.00 0.00 178.83 178.24 3ita h ALA 53 N 0.77 -0.34 -0.24 3.87 0.00 -1.00 0.61 119.26 122.93 3ita h ALA 53 Ca 0.06 0.07 0.05 0.00 0.00 0.00 0.00 54.91 55.09 3ita h ALA 53 Cb 0.50 0.79 -0.05 0.00 0.00 0.00 0.00 17.79 19.03 3ita h ALA 53 CO 0.02 -0.81 -0.06 -0.07 0.00 0.00 0.00 179.25 178.33 3ita h LEU 54 N -0.32 -0.24 -1.50 0.00 3.38 -1.13 0.15 115.31 115.65 3ita h LEU 54 Ca 0.14 0.07 -0.05 0.00 0.09 0.00 0.00 57.88 58.14 3ita h LEU 54 Cb 0.57 0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 3ita h LEU 54 CO -0.53 -0.09 -0.23 0.50 0.09 0.00 0.00 178.44 178.18 3ita h LYS 55 N -0.01 0.03 -0.01 1.13 3.64 -0.70 -2.42 116.57 118.24 3ita h LYS 55 Ca 0.12 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 3ita h LYS 55 Cb 0.19 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.00 3ita h LYS 55 CO -0.25 0.26 -0.46 0.00 -2.27 0.00 0.00 179.45 176.72 3ita n ALA 56 N -2.49 3.53 -0.77 5.00 0.00 0.17 -4.95 120.51 120.99 3ita n ALA 56 Ca -0.02 -0.50 0.00 0.00 0.00 0.00 0.00 53.44 52.92 3ita n ALA 56 Cb 0.29 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 18.77 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 -0.68 -2.32 -0.02 0.00 8.00 0.46 -4.89 116.55 117.09 3ita n ASP 57 Ca 0.09 0.00 0.15 0.00 0.71 0.00 0.00 54.79 55.74 3ita n ASP 57 Cb 0.38 -0.39 0.74 0.00 -0.02 0.00 0.00 41.12 41.83 3ita n ASP 57 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3ita n LYS 58 N -2.77 0.50 -3.56 -1.24 4.76 -0.89 -4.81 118.16 110.14 3ita n LYS 58 Ca 0.00 -0.05 -0.14 0.00 -2.87 0.00 0.00 58.31 55.26 3ita n LYS 58 Cb 0.00 -1.50 -0.05 0.00 -1.84 0.00 0.00 35.03 31.64 3ita n LYS 58 CO 0.00 0.00 0.00 0.96 -1.37 0.00 0.00 177.40 176.99 3ita s ILE 59 N -2.53 0.03 0.23 -0.18 -4.36 -1.25 -5.01 121.20 108.12 3ita s ILE 59 Ca 0.29 -0.22 0.10 0.00 -0.26 0.00 0.00 60.65 60.57 3ita s ILE 59 Cb 0.20 -0.99 -0.04 0.00 1.25 0.00 0.00 42.46 42.88 3ita s ILE 59 CO 0.46 -0.12 -0.14 -0.54 0.24 0.00 0.00 174.94 174.84 3ita s LYS 60 N -2.56 1.87 0.29 0.37 -0.14 -1.26 -4.37 119.74 113.95 3ita s LYS 60 Ca -0.05 -1.49 0.01 0.00 -1.36 0.00 0.00 55.97 53.08 3ita s LYS 60 Cb -0.01 -1.98 0.52 0.00 -1.68 0.00 0.00 37.83 34.69 3ita s LYS 60 CO -0.03 0.39 1.89 -0.07 -0.76 0.00 0.00 175.35 176.77 3ita h LEU 61 N 2.62 0.93 -0.04 3.17 3.38 -1.96 -3.10 115.31 120.31 3ita h LEU 61 Ca -0.44 0.01 -0.15 0.00 0.09 0.00 0.00 57.88 57.39 3ita h LEU 61 Cb 1.23 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.78 3ita h LEU 61 CO 0.55 0.57 -0.72 0.71 0.09 0.00 0.00 178.44 179.64 3ita h THR 62 N 1.04 1.25 -1.08 0.22 1.35 -1.97 -0.88 112.91 112.85 3ita h THR 62 Ca 0.42 -2.74 -0.55 0.00 -0.55 0.00 0.00 66.41 62.99 3ita h THR 62 Cb 0.26 2.60 0.11 0.00 -1.73 0.00 0.00 68.15 69.39 3ita h THR 62 CO -0.17 0.71 -0.59 0.47 -0.25 0.00 0.00 175.52 175.69 3ita n ASP 63 N -3.30 -1.61 -4.66 5.36 9.92 -1.17 -4.72 116.55 116.36 3ita n ASP 63 Ca 0.01 0.85 -0.35 0.00 -0.53 0.00 0.00 54.79 54.77 3ita n ASP 63 Cb 0.82 -0.78 -0.10 0.00 -0.64 0.00 0.00 41.12 40.42 3ita n ASP 63 CO 0.00 0.00 0.00 -0.32 0.13 0.00 0.00 177.20 177.01 3ita s MET 64 N -0.85 3.02 -0.28 -1.24 1.75 -1.26 -1.91 119.30 118.53 3ita s MET 64 Ca 0.53 -0.42 0.01 0.00 -1.25 0.00 0.00 55.69 54.55 3ita s MET 64 Cb -0.69 -2.79 0.06 0.00 2.84 0.00 0.00 34.83 34.25 3ita s MET 64 CO 0.50 0.67 -0.05 0.14 -0.65 0.00 0.00 175.02 175.62 3ita s VAL 65 N -0.79 2.59 -0.51 10.11 -7.23 0.16 -4.88 120.40 119.84 3ita s VAL 65 Ca 0.12 -1.53 -0.39 0.00 -1.81 0.00 0.00 61.98 58.38 3ita s VAL 65 Cb -0.11 -2.51 -0.16 0.00 0.56 0.00 0.00 36.38 34.15 3ita s VAL 65 CO 0.02 -0.08 2.24 0.41 -0.31 0.00 0.00 175.10 177.38 3ita n THR 66 N 4.52 0.06 -1.66 5.32 -1.04 -1.26 -3.35 114.28 116.88 3ita n THR 66 Ca -0.13 -0.12 -0.41 0.00 -2.04 0.00 0.00 64.05 61.35 3ita n THR 66 Cb 0.43 -0.99 -0.03 0.00 -1.82 0.00 0.00 70.33 67.91 3ita n THR 66 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 3ita s VAL 67 N 7.09 3.08 1.07 12.58 1.01 0.45 -4.95 120.40 140.73 3ita s VAL 67 Ca 1.18 0.07 -0.16 0.00 0.00 0.00 0.00 61.98 63.06 3ita s VAL 67 Cb -1.19 -3.13 0.15 0.00 0.00 0.00 0.00 36.38 32.21 3ita s VAL 67 CO 0.56 -0.09 0.18 0.61 0.00 0.00 0.00 175.10 176.36 3ita n GLY 68 N 5.79 -2.58 0.14 4.51 0.00 -1.26 -1.59 105.19 110.20 3ita n GLY 68 Ca 0.31 -0.83 0.12 0.00 0.00 0.00 0.00 46.02 45.61 3ita n GLY 68 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3ita n LYS 69 N -1.92 0.40 0.00 1.61 0.00 -1.26 -3.24 118.16 113.75 3ita n LYS 69 Ca 0.04 -0.28 0.10 0.00 -0.00 0.00 0.00 58.31 58.17 3ita n LYS 69 Cb 0.46 -1.49 -0.09 0.00 -0.00 0.00 0.00 35.03 33.91 3ita n LYS 69 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 3ita n ASP 70 N -1.06 1.15 0.00 -5.58 5.68 -1.26 -4.82 116.55 110.66 3ita n ASP 70 Ca 0.07 -1.07 0.00 0.00 -0.50 0.00 0.00 54.79 53.29 3ita n ASP 70 Cb 0.36 0.89 0.00 0.00 -1.14 0.00 0.00 41.12 41.23 3ita n ASP 70 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3ita n ALA 71 N -1.17 0.00 -3.29 2.12 0.00 -1.20 -4.95 120.51 112.02 3ita n ALA 71 Ca 0.05 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.41 3ita n ALA 71 Cb 0.34 0.10 -0.05 0.00 0.00 0.00 0.00 19.45 19.83 3ita n ALA 71 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 3ita s PRO 89 N -0.45 0.43 0.00 0.00 0.02 -1.26 -5.02 135.00 128.72 3ita s PRO 89 Ca 0.00 0.17 0.00 0.00 0.02 0.00 0.00 61.00 61.19 3ita s PRO 89 Cb 0.00 -0.25 0.00 0.00 0.02 0.00 0.00 34.50 34.27 3ita s PRO 89 CO 0.00 -1.03 0.00 0.41 -0.33 0.00 0.00 177.00 176.05 3ita n GLY 90 N 5.36 1.99 3.57 0.52 0.00 -0.62 -5.00 105.19 111.00 3ita n GLY 90 Ca 0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.63 -4.25 1.61 9.92 -1.26 -4.60 116.55 117.33 3ita n ASP 91 Ca 0.00 0.24 -0.29 0.00 -0.53 0.00 0.00 54.79 54.20 3ita n ASP 91 Cb 0.00 -1.36 -0.16 0.00 -0.64 0.00 0.00 41.12 38.96 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 -4.39 2.08 -0.13 -1.24 -1.52 -1.26 -0.41 119.66 112.78 3ita s GLN 92 Ca 0.65 -0.83 -0.11 0.00 -1.95 0.00 0.00 55.36 53.12 3ita s GLN 92 Cb -0.23 -1.90 0.04 0.00 -0.22 0.00 0.00 33.01 30.70 3ita s GLN 92 CO 0.61 0.44 0.35 0.08 -0.25 0.00 0.00 175.29 176.52 3ita s VAL 93 N -0.37 -0.00 -0.00 1.09 1.01 -1.21 -4.93 120.40 115.98 3ita s VAL 93 Ca 0.04 0.01 -0.17 0.00 0.00 0.00 0.00 61.98 61.86 3ita s VAL 93 Cb -0.11 -0.49 -0.09 0.00 0.00 0.00 0.00 36.38 35.70 3ita s VAL 93 CO 0.01 0.01 0.47 -1.20 0.00 0.00 0.00 175.10 174.38 3ita n SER 94 N 3.07 0.00 0.32 3.32 7.64 -1.26 0.37 113.62 127.08 3ita n SER 94 Ca -0.14 0.50 -0.18 0.00 1.01 0.00 0.00 58.87 60.06 3ita n SER 94 Cb 0.57 -0.40 -0.10 0.00 -1.01 0.00 0.00 64.21 63.28 3ita n SER 94 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 3ita h VAL 95 N 1.31 0.05 -0.97 0.44 2.07 -1.33 -0.99 116.25 116.83 3ita h VAL 95 Ca -0.22 0.00 0.31 0.00 0.82 0.00 0.00 66.70 67.61 3ita h VAL 95 Cb 0.62 0.05 -0.18 0.00 -1.52 0.00 0.00 31.29 30.27 3ita h VAL 95 CO 0.28 0.00 0.19 0.00 0.02 0.00 0.00 177.57 178.06 3ita n ALA 96 N -2.77 0.66 -0.06 1.67 0.00 -0.34 0.10 120.51 119.78 3ita n ALA 96 Ca -0.12 1.02 -0.13 0.00 0.00 0.00 0.00 53.44 54.21 3ita n ALA 96 Cb 0.46 -0.83 -0.07 0.00 0.00 0.00 0.00 19.45 19.01 3ita n ALA 96 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3ita h ASP 97 N 0.00 0.39 0.65 0.00 3.32 -1.79 -2.49 116.42 116.50 3ita h ASP 97 Ca 0.67 -0.45 -0.14 0.00 0.02 0.00 0.00 57.03 57.13 3ita h ASP 97 Cb 1.54 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 40.96 3ita h ASP 97 CO -0.85 0.76 -0.65 -0.07 -1.72 0.00 0.00 179.24 176.70 3ita h LEU 98 N 0.02 0.00 -0.17 1.55 3.38 0.79 -2.54 115.31 118.34 3ita h LEU 98 Ca 0.03 -0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.04 3ita h LEU 98 Cb 0.63 -0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.34 3ita h LEU 98 CO 0.03 0.65 -0.10 -1.13 0.09 0.00 0.00 178.44 177.98 3ita h ASN 99 N 0.00 -0.34 -0.10 -0.43 -1.24 0.74 -2.18 115.58 112.03 3ita h ASN 99 Ca -0.01 0.08 -0.06 0.00 0.71 0.00 0.00 56.30 57.02 3ita h ASN 99 Cb 1.16 0.18 -0.01 0.00 0.73 0.00 0.00 38.32 40.37 3ita h ASN 99 CO 0.09 -0.14 -0.10 0.11 -1.29 0.00 0.00 177.43 176.10 3ita h LYS 100 N -0.10 0.41 -0.88 6.67 1.57 -1.33 -1.05 116.57 121.87 3ita h LYS 100 Ca 0.10 -0.10 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3ita h LYS 100 Cb 0.24 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.46 3ita h LYS 100 CO -0.23 0.52 0.53 0.78 -0.57 0.00 0.00 179.45 180.49 3ita h GLY 101 N 0.85 1.27 1.20 3.86 0.00 -1.03 0.35 103.07 109.56 3ita h GLY 101 Ca 0.08 -0.52 -0.26 0.00 0.00 0.00 0.00 47.33 46.63 3ita h GLY 101 CO 0.02 0.50 -1.00 -0.24 0.00 0.00 0.00 176.54 175.82 3ita h VAL 102 N 1.21 1.28 0.20 4.60 3.04 -0.86 0.31 116.25 126.02 3ita h VAL 102 Ca 0.32 -2.20 -0.01 0.00 -1.01 0.00 0.00 66.70 63.80 3ita h VAL 102 Cb -0.06 2.32 0.00 0.00 -2.01 0.00 0.00 31.29 31.54 3ita h VAL 102 CO -0.06 0.68 -0.09 0.40 -1.01 0.00 0.00 177.57 177.49 3ita h ILE 103 N 0.42 0.54 0.15 3.17 2.04 -0.98 -2.73 117.51 120.11 3ita h ILE 103 Ca -0.12 -1.03 -0.26 0.00 1.00 0.00 0.00 64.86 64.45 3ita h ILE 103 Cb 1.65 0.92 0.01 0.00 -0.74 0.00 0.00 36.82 38.67 3ita h ILE 103 CO 0.20 0.15 -1.27 0.40 0.00 0.00 0.00 178.15 177.63 3ita h ILE 104 N -0.97 1.21 0.00 -0.67 2.04 -0.50 -3.38 117.51 115.24 3ita h ILE 104 Ca -0.03 -2.50 -0.16 0.00 1.00 0.00 0.00 64.86 63.17 3ita h ILE 104 Cb 0.45 2.92 -0.03 0.00 -0.74 0.00 0.00 36.82 39.42 3ita h ILE 104 CO 0.04 0.74 -1.73 1.67 0.00 0.00 0.00 178.15 178.87 3ita n GLN 105 N -3.92 0.64 -3.37 2.37 7.27 -1.16 -3.96 117.38 115.25 3ita n GLN 105 Ca -0.20 0.07 -0.18 0.00 0.07 0.00 0.00 57.00 56.75 3ita n GLN 105 Cb 0.92 -1.68 0.07 0.00 2.41 0.00 0.00 30.24 31.97 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 -2.70 -4.16 -4.68 1.69 7.64 -0.38 -4.92 113.62 106.11 3ita n SER 106 Ca -0.13 -0.50 -0.43 0.00 1.01 0.00 0.00 58.87 58.82 3ita n SER 106 Cb 0.83 -4.52 -0.02 0.00 -1.01 0.00 0.00 64.21 59.48 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 -3.69 2.23 0.38 0.23 0.00 0.96 -4.95 107.32 102.48 3ita s GLY 107 Ca 0.29 0.39 0.18 0.00 0.00 0.00 0.00 44.72 45.58 3ita s GLY 107 CO 0.64 2.00 1.77 3.43 0.00 0.00 0.00 173.10 180.95 3ita h ASN 108 N 7.21 0.00 -0.22 1.64 -0.26 -1.93 -2.77 115.58 119.25 3ita h ASN 108 Ca -0.30 0.00 -0.05 0.00 -0.56 0.00 0.00 56.30 55.39 3ita h ASN 108 Cb 1.14 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 38.39 3ita h ASN 108 CO 0.87 0.38 -0.07 -2.24 -1.06 0.00 0.00 177.43 175.31 3ita h ASP 109 N 0.00 0.44 -0.59 5.81 2.03 -1.94 -1.96 116.42 120.21 3ita h ASP 109 Ca -0.00 -0.38 0.04 0.00 -0.73 0.00 0.00 57.03 55.95 3ita h ASP 109 Cb 0.82 -0.12 -0.04 0.00 -0.83 0.00 0.00 39.33 39.15 3ita h ASP 109 CO 0.05 0.72 0.34 0.00 -1.03 0.00 0.00 179.24 179.32 3ita h ALA 110 N 0.73 0.77 0.07 4.15 0.00 -1.89 0.56 119.26 123.65 3ita h ALA 110 Ca 0.05 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 3ita h ALA 110 Cb 0.54 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 3ita h ALA 110 CO 0.02 0.05 -0.12 0.00 0.00 0.00 0.00 179.25 179.20 3ita h ILE 112 N -0.21 0.39 -0.30 0.00 2.04 -1.31 0.33 117.51 118.45 3ita h ILE 112 Ca -0.01 -0.02 0.06 0.00 1.00 0.00 0.00 64.86 65.89 3ita h ILE 112 Cb 0.19 0.32 -0.06 0.00 -0.74 0.00 0.00 36.82 36.53 3ita h ILE 112 CO -0.04 0.01 -0.10 0.00 0.00 0.00 0.00 178.15 178.02 3ita h ALA 113 N 1.64 0.17 -0.02 1.87 0.00 -0.71 -2.22 119.26 119.99 3ita h ALA 113 Ca 0.35 0.12 -0.25 0.00 0.00 0.00 0.00 54.91 55.12 3ita h ALA 113 Cb 0.57 0.27 0.02 0.00 0.00 0.00 0.00 17.79 18.64 3ita h ALA 113 CO -0.63 -0.49 -0.99 1.25 0.00 0.00 0.00 179.25 178.40 3ita h LEU 114 N -0.03 0.83 -0.08 0.00 5.85 0.13 -2.54 115.31 119.47 3ita h LEU 114 Ca 0.15 -0.65 0.04 0.00 0.84 0.00 0.00 57.88 58.26 3ita h LEU 114 Cb 0.26 -0.25 -0.06 0.00 0.37 0.00 0.00 40.66 40.97 3ita h LEU 114 CO -0.33 1.45 -0.35 0.00 -0.34 0.00 0.00 178.44 178.88 3ita h ALA 115 N 0.50 -0.47 -0.91 1.25 0.00 -0.36 -0.67 119.26 118.59 3ita h ALA 115 Ca -0.11 -0.00 0.18 0.00 0.00 0.00 0.00 54.91 54.98 3ita h ALA 115 Cb 1.64 0.64 -0.11 0.00 0.00 0.00 0.00 17.79 19.96 3ita h ALA 115 CO 0.19 -0.85 0.48 -0.44 0.00 0.00 0.00 179.25 178.63 3ita h ASP 116 N -0.46 0.56 -0.38 0.00 3.32 -1.36 -1.28 116.42 116.81 3ita h ASP 116 Ca 0.08 0.11 -0.12 0.00 0.02 0.00 0.00 57.03 57.12 3ita h ASP 116 Cb 0.58 0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.14 3ita h ASP 116 CO -0.33 0.18 -0.21 0.22 -1.72 0.00 0.00 179.24 177.38 3ita h TYR 117 N 0.61 1.00 0.08 4.55 3.20 -0.74 0.18 116.97 125.85 3ita h TYR 117 Ca 0.52 -0.23 -0.31 0.00 3.14 0.00 0.00 58.73 61.85 3ita h TYR 117 Cb 0.83 -0.24 -0.03 0.00 1.54 0.00 0.00 36.73 38.84 3ita h TYR 117 CO -0.08 1.00 -1.70 -0.24 -1.64 0.00 0.00 178.16 175.50 3ita h VAL 118 N 0.77 0.92 0.00 1.81 3.04 -0.73 -3.40 116.25 118.65 3ita h VAL 118 Ca 0.11 -2.66 0.00 0.00 -1.01 0.00 0.00 66.70 63.14 3ita h VAL 118 Cb 0.75 2.57 0.00 0.00 -2.01 0.00 0.00 31.29 32.60 3ita h VAL 118 CO 0.06 0.73 -0.93 0.00 -1.01 0.00 0.00 177.57 176.42 3ita n ALA 119 N -2.71 2.41 -0.37 3.17 0.00 -0.52 -5.01 120.51 117.48 3ita n ALA 119 Ca -0.20 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.09 3ita n ALA 119 Cb 1.04 -0.21 0.00 0.00 0.00 0.00 0.00 19.45 20.28 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 1.81 0.73 0.00 0.00 0.00 0.64 -4.69 105.19 103.68 3ita n GLY 120 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3ita n GLY 120 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3ita n SER 121 N 0.00 0.00 -0.08 1.61 3.41 -1.23 -4.91 113.62 112.41 3ita n SER 121 Ca 0.00 0.00 -0.07 0.00 -0.26 0.00 0.00 58.87 58.54 3ita n SER 121 Cb 0.00 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 63.95 3ita n SER 121 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 3ita h GLN 122 N 0.00 -0.13 -0.96 4.33 4.20 -1.88 -1.44 115.11 119.22 3ita h GLN 122 Ca 0.00 0.01 0.16 0.00 0.06 0.00 0.00 58.65 58.88 3ita h GLN 122 Cb 0.00 0.03 -0.10 0.00 0.30 0.00 0.00 27.48 27.71 3ita h GLN 122 CO 0.00 -0.09 0.57 0.93 -0.67 0.00 0.00 178.83 179.58 3ita h GLU 123 N -0.13 0.77 0.00 1.46 3.07 -1.98 -0.02 114.58 117.75 3ita h GLU 123 Ca 0.17 -0.05 -0.11 0.00 -0.50 0.00 0.00 59.36 58.87 3ita h GLU 123 Cb 0.39 -0.17 -0.02 0.00 -0.84 0.00 0.00 28.75 28.11 3ita h GLU 123 CO -0.41 0.51 -1.40 -1.13 -1.40 0.00 0.00 179.01 175.19 3ita n SER 124 N -4.76 0.72 -0.28 1.42 3.41 -1.07 -2.53 113.62 110.54 3ita n SER 124 Ca 0.21 0.30 -0.05 0.00 -0.26 0.00 0.00 58.87 59.07 3ita n SER 124 Cb 0.48 0.48 0.06 0.00 -0.26 0.00 0.00 64.21 64.98 3ita n SER 124 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 3ita h PHE 125 N 0.00 1.00 -0.23 7.33 3.57 -0.60 -2.53 116.94 125.48 3ita h PHE 125 Ca -0.12 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.38 3ita h PHE 125 Cb 1.38 -0.33 -0.01 0.00 2.79 0.00 0.00 35.95 39.78 3ita h PHE 125 CO 0.00 0.67 0.13 0.82 -2.23 0.00 0.00 178.31 177.69 3ita h ILE 126 N 1.04 1.08 -0.35 1.41 2.04 -0.93 -0.70 117.51 121.08 3ita h ILE 126 Ca 0.27 -0.19 0.08 0.00 1.00 0.00 0.00 64.86 66.01 3ita h ILE 126 Cb -0.04 0.76 -0.08 0.00 -0.74 0.00 0.00 36.82 36.73 3ita h ILE 126 CO -0.05 0.08 -0.17 1.23 0.00 0.00 0.00 178.15 179.25 3ita h GLY 127 N 0.38 0.11 1.39 5.37 0.00 -1.17 -2.39 103.07 106.76 3ita h GLY 127 Ca 0.08 0.21 -0.01 0.00 0.00 0.00 0.00 47.33 47.62 3ita h GLY 127 CO -0.01 -0.18 0.32 1.41 0.00 0.00 0.00 176.54 178.08 3ita h LEU 128 N -0.11 0.72 -0.37 3.11 4.07 -0.86 -1.58 115.31 120.29 3ita h LEU 128 Ca 0.18 -0.05 -0.14 0.00 0.08 0.00 0.00 57.88 57.95 3ita h LEU 128 Cb 0.38 -0.18 -0.01 0.00 1.08 0.00 0.00 40.66 41.93 3ita h LEU 128 CO -0.42 0.58 -0.30 0.24 -1.08 0.00 0.00 178.44 177.46 3ita h MET 129 N 0.82 0.86 0.00 1.13 2.86 -1.16 -2.34 114.93 117.10 3ita h MET 129 Ca 0.21 -0.43 -0.07 0.00 -2.06 0.00 0.00 59.70 57.35 3ita h MET 129 Cb 0.02 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.67 3ita h MET 129 CO -0.04 1.07 -0.35 -0.91 1.06 0.00 0.00 176.91 177.75 3ita h ASN 130 N 0.66 0.00 -0.23 1.22 2.35 -1.25 -1.52 115.58 116.81 3ita h ASN 130 Ca 0.07 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.72 3ita h ASN 130 Cb 0.88 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.24 3ita h ASN 130 CO 0.08 0.35 -0.26 1.23 -1.65 0.00 0.00 177.43 177.18 3ita h GLY 131 N 3.26 0.63 1.36 2.83 0.00 -1.15 -1.28 103.07 108.72 3ita h GLY 131 Ca -0.00 -0.66 -0.11 0.00 0.00 0.00 0.00 47.33 46.55 3ita h GLY 131 CO 0.05 0.60 -0.24 -0.97 0.00 0.00 0.00 176.54 175.98 3ita h TYR 132 N 0.28 0.83 -0.34 5.60 0.05 -1.44 -0.38 116.97 121.56 3ita h TYR 132 Ca 0.03 -0.19 0.07 0.00 0.05 0.00 0.00 58.73 58.69 3ita h TYR 132 Cb 0.82 -0.20 -0.08 0.00 1.01 0.00 0.00 36.73 38.28 3ita h TYR 132 CO 0.08 0.90 -0.31 0.00 -1.05 0.00 0.00 178.16 177.77 3ita h ALA 133 N 1.10 -0.20 0.14 3.88 0.00 -1.14 0.83 119.26 123.85 3ita h ALA 133 Ca 0.09 0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.09 3ita h ALA 133 Cb 0.74 0.66 -0.02 0.00 0.00 0.00 0.00 17.79 19.17 3ita h ALA 133 CO 0.06 -0.73 -0.18 -0.22 0.00 0.00 0.00 179.25 178.18 3ita h LYS 134 N -0.27 -0.36 -0.60 0.00 3.64 -0.86 -1.01 116.57 117.11 3ita h LYS 134 Ca 0.16 0.02 0.14 0.00 -1.27 0.00 0.00 60.65 59.70 3ita h LYS 134 Cb 0.53 0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.40 3ita h LYS 134 CO -0.49 -0.24 0.41 -0.22 -2.27 0.00 0.00 179.45 176.64 3ita h LYS 135 N -0.37 0.18 -0.01 1.90 3.64 -0.56 -1.57 116.57 119.78 3ita h LYS 135 Ca 0.02 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3ita h LYS 135 Cb 0.37 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.15 3ita h LYS 135 CO -0.08 0.12 -0.25 1.28 -2.27 0.00 0.00 179.45 178.25 3ita n LEU 136 N -4.43 1.28 0.00 5.20 4.77 0.24 -4.93 117.00 119.13 3ita n LEU 136 Ca 0.11 -0.38 0.00 0.00 -0.03 0.00 0.00 56.01 55.71 3ita n LEU 136 Cb 0.54 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 3ita n LEU 136 CO 0.35 0.23 0.00 0.61 -1.33 0.00 0.00 177.39 177.26 3ita n GLY 137 N 1.33 0.45 3.12 -0.72 0.00 -0.59 -4.94 105.19 103.85 3ita n GLY 137 Ca 0.13 -0.97 -0.41 0.00 0.00 0.00 0.00 46.02 44.77 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 0.00 5.29 0.25 0.99 4.77 -0.42 -4.76 117.00 123.12 3ita n LEU 138 Ca 0.00 -3.68 0.12 0.00 -0.03 0.00 0.00 56.01 52.43 3ita n LEU 138 Cb 0.08 -1.56 0.58 0.00 -2.33 0.00 0.00 43.42 40.19 3ita n LEU 138 CO 0.00 0.18 0.89 0.71 -1.33 0.00 0.00 177.39 177.83 3ita h THR 139 N 4.75 0.42 -0.50 -5.08 1.35 -1.92 -2.24 112.91 109.69 3ita h THR 139 Ca 0.46 -0.85 -0.07 0.00 -0.55 0.00 0.00 66.41 65.40 3ita h THR 139 Cb 0.74 1.61 -0.04 0.00 -1.73 0.00 0.00 68.15 68.73 3ita h THR 139 CO 1.72 0.15 0.07 0.59 -0.25 0.00 0.00 175.52 177.80 3ita n ASN 140 N -3.36 4.69 -4.39 5.36 3.02 -1.26 -4.98 115.26 114.33 3ita n ASN 140 Ca -0.00 -3.10 -0.32 0.00 -0.03 0.00 0.00 54.58 51.12 3ita n ASN 140 Cb 0.36 -0.65 -0.14 0.00 -0.61 0.00 0.00 39.78 38.73 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 2.79 -0.14 3.41 2.01 -0.84 -4.10 115.64 115.88 3ita s THR 141 Ca 0.50 -0.80 -0.09 0.00 0.31 0.00 0.00 61.69 61.61 3ita s THR 141 Cb 0.40 -2.10 0.05 0.00 0.01 0.00 0.00 72.50 70.86 3ita s THR 141 CO 0.12 0.57 0.35 0.28 -0.69 0.00 0.00 174.62 175.24 3ita s THR 142 N -0.27 -0.02 -0.11 -0.82 -1.32 0.07 -4.92 115.64 108.24 3ita s THR 142 Ca 0.01 0.07 -0.06 0.00 -1.21 0.00 0.00 61.69 60.50 3ita s THR 142 Cb -0.13 -0.51 -0.04 0.00 -1.51 0.00 0.00 72.50 70.31 3ita s THR 142 CO 0.03 0.03 0.11 -0.36 -2.21 0.00 0.00 174.62 172.22 3ita s PHE 143 N 0.91 3.51 -0.19 9.09 0.08 -1.26 -1.15 117.98 128.97 3ita s PHE 143 Ca -0.06 0.46 0.04 0.00 0.12 0.00 0.00 56.93 57.49 3ita s PHE 143 Cb -0.07 -1.91 -0.05 0.00 -0.57 0.00 0.00 43.02 40.42 3ita s PHE 143 CO -0.07 0.68 0.18 1.04 -0.10 0.00 0.00 175.22 176.95 3ita n GLN 144 N 2.03 5.21 -4.11 0.44 1.13 -1.26 -4.90 117.38 115.92 3ita n GLN 144 Ca -0.20 -0.00 -0.08 0.00 -1.94 0.00 0.00 57.00 54.78 3ita n GLN 144 Cb 0.55 -0.73 -0.10 0.00 0.11 0.00 0.00 30.24 30.07 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 -1.47 0.24 -1.62 5.09 -4.23 -1.26 -5.04 115.64 107.35 3ita s THR 145 Ca 0.01 -1.84 0.27 0.00 -1.18 0.00 0.00 61.69 58.95 3ita s THR 145 Cb 0.03 -1.64 0.27 0.00 1.34 0.00 0.00 72.50 72.50 3ita s THR 145 CO 0.18 -0.88 1.61 0.52 -0.54 0.00 0.00 174.62 175.51 3ita n VAL 146 N 0.05 0.00 0.00 2.29 0.31 -1.26 -4.36 118.33 115.36 3ita n VAL 146 Ca -0.12 -0.10 0.00 0.00 -0.01 0.00 0.00 64.34 64.11 3ita n VAL 146 Cb 0.62 0.27 0.00 0.00 -0.91 0.00 0.00 33.84 33.81 3ita n VAL 146 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3ita n HIS 147 N -0.83 0.00 -1.33 3.52 -0.00 -1.26 -4.76 115.22 110.55 3ita n HIS 147 Ca 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.84 3ita n HIS 147 Cb 0.33 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 0.39 0.43 3.58 -1.39 0.00 -1.26 -4.51 105.19 102.43 3ita n GLY 148 Ca 0.00 -0.97 -0.52 0.00 0.00 0.00 0.00 46.02 44.53 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 2.56 -0.82 0.99 4.77 -1.26 -3.33 117.00 119.91 3ita n LEU 149 Ca 0.00 0.74 -0.12 0.00 -0.03 0.00 0.00 56.01 56.60 3ita n LEU 149 Cb 0.19 -1.26 -0.02 0.00 -2.33 0.00 0.00 43.42 40.01 3ita n LEU 149 CO 0.00 -0.47 0.18 0.47 -1.33 0.00 0.00 177.39 176.24 3ita n ASP 150 N 7.83 0.17 -3.49 -1.43 8.00 -1.26 -4.87 116.55 121.50 3ita n ASP 150 Ca 0.32 0.21 -0.11 0.00 0.71 0.00 0.00 54.79 55.92 3ita n ASP 150 Cb 0.22 -0.15 -0.02 0.00 -0.02 0.00 0.00 41.12 41.15 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 0.43 -1.59 0.22 2.24 0.00 -1.26 -5.13 121.76 116.67 3ita s ALA 151 Ca 0.18 0.47 -0.30 0.00 0.00 0.00 0.00 51.96 52.31 3ita s ALA 151 Cb -0.25 0.81 -0.09 0.00 0.00 0.00 0.00 23.12 23.59 3ita s ALA 151 CO 0.13 -0.80 1.17 -1.25 0.00 0.00 0.00 175.76 175.02 3ita s PRO 152 N -3.66 4.53 -0.07 0.00 0.04 -1.26 -2.95 135.00 131.63 3ita s PRO 152 Ca 0.03 1.86 0.00 0.00 0.04 0.00 0.00 61.00 62.94 3ita s PRO 152 Cb -0.02 -3.22 0.00 0.00 0.04 0.00 0.00 34.50 31.30 3ita s PRO 152 CO -0.10 -0.00 0.00 0.41 0.04 0.00 0.00 177.00 177.35 3ita n GLY 153 N 1.84 0.27 3.60 0.56 0.00 -1.26 -4.87 105.19 105.33 3ita n GLY 153 Ca 0.03 -0.02 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.27 3.86 0.01 1.61 0.74 -1.15 -4.72 119.66 118.74 3ita s GLN 154 Ca 0.00 0.51 0.00 0.00 0.05 0.00 0.00 55.36 55.92 3ita s GLN 154 Cb 0.00 -3.78 -0.01 0.00 1.10 0.00 0.00 33.01 30.32 3ita s GLN 154 CO 0.00 -0.82 -0.02 -0.06 -0.55 0.00 0.00 175.29 173.85 3ita s PHE 155 N 3.17 0.14 0.00 1.67 0.40 -0.30 -3.81 117.98 119.25 3ita s PHE 155 Ca 0.34 -0.27 0.00 0.00 -0.60 0.00 0.00 56.93 56.40 3ita s PHE 155 Cb -0.13 -0.10 0.00 0.00 0.51 0.00 0.00 43.02 43.30 3ita s PHE 155 CO 0.16 -0.10 0.00 0.45 0.70 0.00 0.00 175.22 176.43 3ita n SER 156 N 2.31 0.00 -4.07 1.36 2.88 -0.55 -0.75 113.62 114.80 3ita n SER 156 Ca -0.18 -0.83 -0.10 0.00 -1.33 0.00 0.00 58.87 56.43 3ita n SER 156 Cb 0.57 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.95 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 -2.21 0.07 0.23 2.46 -4.23 -1.26 -1.17 115.64 109.52 3ita s THR 157 Ca 0.00 -1.68 -0.07 0.00 -1.18 0.00 0.00 61.69 58.76 3ita s THR 157 Cb 0.00 -2.04 0.16 0.00 1.34 0.00 0.00 72.50 71.96 3ita s THR 157 CO 0.00 -0.30 1.79 0.00 -0.54 0.00 0.00 174.62 175.57 3ita h ALA 158 N 2.66 1.07 -0.34 3.99 0.00 -1.72 -1.24 119.26 123.69 3ita h ALA 158 Ca -0.33 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.36 3ita h ALA 158 Cb 1.22 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 3ita h ALA 158 CO 0.52 0.65 0.11 -0.09 0.00 0.00 0.00 179.25 180.44 3ita h ARG 159 N 1.12 0.52 -0.45 0.00 2.43 -1.42 -1.90 114.38 114.68 3ita h ARG 159 Ca 0.25 -0.11 -0.07 0.00 -0.81 0.00 0.00 59.98 59.25 3ita h ARG 159 Cb 0.22 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.68 3ita h ARG 159 CO -0.02 0.55 -0.00 -0.44 -1.51 0.00 0.00 179.97 178.55 3ita h ASP 160 N 0.39 0.70 -0.14 -3.80 5.19 -1.75 -1.89 116.42 115.13 3ita h ASP 160 Ca 0.11 -0.16 -0.09 0.00 -0.62 0.00 0.00 57.03 56.26 3ita h ASP 160 Cb 0.24 -0.19 -0.01 0.00 0.18 0.00 0.00 39.33 39.55 3ita h ASP 160 CO -0.00 0.78 -0.20 0.24 -3.12 0.00 0.00 179.24 176.93 3ita h MET 161 N 0.69 0.56 -0.31 3.56 2.86 -1.04 0.85 114.93 122.10 3ita h MET 161 Ca 0.14 -0.20 -0.14 0.00 -2.06 0.00 0.00 59.70 57.44 3ita h MET 161 Cb 0.43 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.04 3ita h MET 161 CO 0.02 0.73 -0.37 0.00 1.06 0.00 0.00 176.91 178.35 3ita h ALA 162 N 1.28 0.76 -0.32 6.32 0.00 -1.02 0.45 119.26 126.74 3ita h ALA 162 Ca 0.08 -0.44 -0.14 0.00 0.00 0.00 0.00 54.91 54.41 3ita h ALA 162 Cb 0.63 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 3ita h ALA 162 CO 0.04 0.66 -0.38 -0.07 0.00 0.00 0.00 179.25 179.50 3ita h LEU 163 N 0.60 0.81 -0.37 0.00 3.38 -0.98 -1.14 115.31 117.61 3ita h LEU 163 Ca 0.06 -0.36 -0.03 0.00 0.09 0.00 0.00 57.88 57.64 3ita h LEU 163 Cb 0.91 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.42 3ita h LEU 163 CO 0.08 1.10 0.11 0.25 0.09 0.00 0.00 178.44 180.07 3ita h LEU 164 N 0.62 0.54 -0.75 1.67 5.85 -0.74 -0.75 115.31 121.76 3ita h LEU 164 Ca 0.05 -0.21 0.06 0.00 0.84 0.00 0.00 57.88 58.63 3ita h LEU 164 Cb 0.93 -0.14 -0.06 0.00 0.37 0.00 0.00 40.66 41.76 3ita h LEU 164 CO 0.09 0.61 0.44 1.23 -0.34 0.00 0.00 178.44 180.46 3ita h GLY 165 N 0.45 1.12 0.99 3.75 0.00 -0.69 -0.33 103.07 108.35 3ita h GLY 165 Ca 0.12 -0.31 -0.02 0.00 0.00 0.00 0.00 47.33 47.12 3ita h GLY 165 CO -0.00 0.19 0.28 1.70 0.00 0.00 0.00 176.54 178.71 3ita h LYS 166 N 0.79 0.83 -0.57 4.80 3.64 -1.00 -0.87 116.57 124.20 3ita h LYS 166 Ca 0.33 -0.12 -0.06 0.00 -1.27 0.00 0.00 60.65 59.54 3ita h LYS 166 Cb 0.20 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 31.84 3ita h LYS 166 CO -0.19 0.67 0.13 0.00 -2.27 0.00 0.00 179.45 177.79 3ita h ALA 167 N 1.12 1.15 -0.14 5.00 0.00 -0.63 -0.70 119.26 125.05 3ita h ALA 167 Ca 0.20 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3ita h ALA 167 Cb 0.11 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3ita h ALA 167 CO -0.03 0.57 0.05 1.25 0.00 0.00 0.00 179.25 181.09 3ita h LEU 168 N 0.85 0.20 -0.82 0.00 6.46 -0.54 0.40 115.31 121.87 3ita h LEU 168 Ca 0.18 -0.19 0.02 0.00 -0.12 0.00 0.00 57.88 57.77 3ita h LEU 168 Cb 0.32 -0.05 -0.04 0.00 -0.73 0.00 0.00 40.66 40.16 3ita h LEU 168 CO 0.00 0.34 0.53 0.40 -0.62 0.00 0.00 178.44 179.10 3ita h ILE 169 N 0.05 1.17 0.16 4.05 2.04 -1.03 -2.88 117.51 121.08 3ita h ILE 169 Ca 0.05 -0.37 -0.21 0.00 1.00 0.00 0.00 64.86 65.33 3ita h ILE 169 Cb 0.21 0.01 0.02 0.00 -0.74 0.00 0.00 36.82 36.33 3ita h ILE 169 CO -0.00 0.19 -0.94 -0.74 0.00 0.00 0.00 178.15 176.66 3ita h HIS 170 N 1.07 0.63 0.13 1.37 2.76 -0.79 -3.36 115.15 116.95 3ita h HIS 170 Ca 0.31 -0.46 -0.36 0.00 -2.20 0.00 0.00 60.37 57.66 3ita h HIS 170 Cb -0.06 -0.03 -0.02 0.00 1.55 0.00 0.00 27.41 28.85 3ita h HIS 170 CO -0.02 1.36 -1.98 -0.25 -1.30 0.00 0.00 177.93 175.74 3ita n ASP 171 N -4.05 2.11 -3.37 3.26 8.00 0.14 -4.50 116.55 118.14 3ita n ASP 171 Ca -0.15 0.22 -0.27 0.00 0.71 0.00 0.00 54.79 55.31 3ita n ASP 171 Cb 0.88 -0.86 -0.08 0.00 -0.02 0.00 0.00 41.12 41.04 3ita n ASP 171 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 3ita n VAL 172 N -3.48 1.91 -0.01 2.53 0.24 -1.09 -4.96 118.33 113.47 3ita n VAL 172 Ca -0.31 -5.05 -0.02 0.00 -2.04 0.00 0.00 64.34 56.92 3ita n VAL 172 Cb 1.05 -2.06 0.25 0.00 -1.47 0.00 0.00 33.84 31.61 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 4.12 0.55 -0.63 7.34 0.13 -1.72 -0.41 132.00 141.38 3ita h PRO 173 Ca 0.18 -0.15 -0.03 0.00 -0.87 0.00 0.00 66.00 65.13 3ita h PRO 173 Cb 0.69 -0.07 -0.03 0.00 0.13 0.00 0.00 31.00 31.73 3ita h PRO 173 CO 0.78 0.63 0.26 0.93 -0.23 0.00 0.00 178.00 180.38 3ita h GLU 174 N 0.52 0.92 -0.30 0.86 5.08 -1.92 0.12 114.58 119.86 3ita h GLU 174 Ca 0.10 -0.14 -0.06 0.00 -1.00 0.00 0.00 59.36 58.25 3ita h GLU 174 Cb 0.45 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 3ita h GLU 174 CO 0.02 0.75 -0.06 1.49 -1.00 0.00 0.00 179.01 180.21 3ita h GLU 175 N 0.91 0.57 -0.72 2.33 4.57 -1.77 -3.16 114.58 117.32 3ita h GLU 175 Ca 0.22 -0.21 0.06 0.00 -1.18 0.00 0.00 59.36 58.24 3ita h GLU 175 Cb 0.16 -0.04 -0.05 0.00 -0.16 0.00 0.00 28.75 28.66 3ita h GLU 175 CO -0.02 0.76 0.42 -0.92 -1.18 0.00 0.00 179.01 178.06 3ita h TYR 176 N 0.34 0.77 -0.09 0.92 3.20 -0.47 -2.73 116.97 118.91 3ita h TYR 176 Ca 0.08 0.03 0.03 0.00 3.14 0.00 0.00 58.73 62.00 3ita h TYR 176 Cb 0.54 -0.24 -0.00 0.00 1.54 0.00 0.00 36.73 38.56 3ita h TYR 176 CO 0.05 0.39 0.16 0.00 -1.64 0.00 0.00 178.16 177.12 3ita h ALA 177 N 1.35 1.50 0.00 1.82 0.00 -0.75 0.18 119.26 123.38 3ita h ALA 177 Ca 0.31 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.16 3ita h ALA 177 Cb 0.16 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3ita h ALA 177 CO -0.17 -0.21 -0.27 0.82 0.00 0.00 0.00 179.25 179.42 3ita h ILE 178 N 0.00 0.61 0.00 0.00 2.04 -1.55 -3.29 117.51 115.32 3ita h ILE 178 Ca 0.04 -1.31 0.00 0.00 1.00 0.00 0.00 64.86 64.60 3ita h ILE 178 Cb 0.37 1.88 0.00 0.00 -0.74 0.00 0.00 36.82 38.33 3ita h ILE 178 CO -0.00 0.26 0.00 1.41 0.00 0.00 0.00 178.15 179.82 3ita n HIS 179 N -3.37 0.50 1.05 1.37 8.25 0.64 -1.83 115.22 121.84 3ita n HIS 179 Ca 0.00 0.21 0.11 0.00 -0.26 0.00 0.00 57.72 57.79 3ita n HIS 179 Cb 0.48 -0.84 0.08 0.00 1.12 0.00 0.00 29.99 30.83 3ita n HIS 179 CO 0.00 0.00 0.00 0.36 0.64 0.00 0.00 176.34 177.34 3ita n LYS 180 N -1.97 0.59 -2.05 -0.41 2.85 -1.21 -4.54 118.16 111.41 3ita n LYS 180 Ca 0.02 -0.45 -0.42 0.00 -1.05 0.00 0.00 58.31 56.41 3ita n LYS 180 Cb 0.16 -1.49 -0.03 0.00 -0.65 0.00 0.00 35.03 33.02 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 -2.72 4.25 0.32 -1.58 2.02 -0.76 -4.89 118.70 115.35 3ita s GLU 181 Ca 0.16 2.19 0.17 0.00 0.02 0.00 0.00 54.97 57.51 3ita s GLU 181 Cb 0.18 -3.41 0.16 0.00 0.10 0.00 0.00 34.13 31.16 3ita s GLU 181 CO 0.67 -0.60 1.50 0.87 0.02 0.00 0.00 175.26 177.72 3ita h LYS 182 N 7.51 0.00 -3.63 1.61 1.57 -1.92 -3.41 116.57 118.30 3ita h LYS 182 Ca -0.41 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.14 3ita h LYS 182 Cb 1.20 0.00 -0.28 0.00 0.08 0.00 0.00 32.23 33.23 3ita h LYS 182 CO 0.90 0.37 -0.67 -2.00 -0.57 0.00 0.00 179.45 177.48 3ita s GLU 183 N -3.05 0.05 -0.11 3.15 -6.30 -1.26 -0.57 118.70 110.61 3ita s GLU 183 Ca 0.05 0.06 0.02 0.00 -2.50 0.00 0.00 54.97 52.60 3ita s GLU 183 Cb 0.07 0.02 0.01 0.00 0.00 0.00 0.00 34.13 34.23 3ita s GLU 183 CO 0.72 -0.01 -0.18 0.12 0.02 0.00 0.00 175.26 175.93 3ita s PHE 184 N 0.04 2.19 -0.44 5.30 5.99 0.45 -4.95 117.98 126.57 3ita s PHE 184 Ca -0.00 -0.99 -0.11 0.00 0.00 0.00 0.00 56.93 55.83 3ita s PHE 184 Cb -0.01 -1.53 0.08 0.00 0.00 0.00 0.00 43.02 41.57 3ita s PHE 184 CO -0.00 -0.47 0.30 -0.08 -0.00 0.00 0.00 175.22 174.97 3ita s THR 185 N 0.76 4.44 -0.18 0.12 -1.32 -1.26 -0.34 115.64 117.86 3ita s THR 185 Ca -0.11 -1.38 0.00 0.00 -1.21 0.00 0.00 61.69 59.00 3ita s THR 185 Cb -0.16 -3.73 0.01 0.00 -1.51 0.00 0.00 72.50 67.11 3ita s THR 185 CO 0.01 -0.56 -0.17 0.12 -2.21 0.00 0.00 174.62 171.81 3ita s PHE 186 N 1.46 2.80 -0.84 9.09 5.36 -0.26 -4.78 117.98 130.81 3ita s PHE 186 Ca 0.03 -1.45 -0.03 0.00 -0.96 0.00 0.00 56.93 54.52 3ita s PHE 186 Cb -0.24 -1.94 -0.01 0.00 -0.34 0.00 0.00 43.02 40.50 3ita s PHE 186 CO 0.03 -0.72 0.73 0.09 -1.46 0.00 0.00 175.22 173.88 3ita n ASN 187 N 4.54 -6.86 -2.93 6.13 3.02 -1.26 -1.79 115.26 116.11 3ita n ASN 187 Ca -0.20 -0.42 -0.19 0.00 -0.03 0.00 0.00 54.58 53.73 3ita n ASN 187 Cb 0.50 -4.46 -0.04 0.00 -0.61 0.00 0.00 39.78 35.17 3ita n ASN 187 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3ita n LYS 188 N -2.40 -1.20 -4.32 3.52 4.76 -1.26 -4.85 118.16 112.40 3ita n LYS 188 Ca -0.08 0.06 -0.26 0.00 -2.87 0.00 0.00 58.31 55.17 3ita n LYS 188 Cb 0.56 -2.87 -0.17 0.00 -1.84 0.00 0.00 35.03 30.71 3ita n LYS 188 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3ita s ILE 189 N -2.07 1.18 -0.23 -0.18 1.01 -0.74 -5.13 121.20 115.05 3ita s ILE 189 Ca 0.38 -0.45 -0.10 0.00 0.00 0.00 0.00 60.65 60.47 3ita s ILE 189 Cb -0.22 -1.12 -0.05 0.00 0.01 0.00 0.00 42.46 41.08 3ita s ILE 189 CO 0.46 0.38 0.15 -0.13 0.00 0.00 0.00 174.94 175.80 3ita s ARG 190 N 1.09 4.09 -0.10 2.79 0.52 -1.26 -1.10 118.95 124.98 3ita s ARG 190 Ca -0.06 -0.26 0.03 0.00 -0.52 0.00 0.00 55.73 54.92 3ita s ARG 190 Cb -0.14 -3.50 0.00 0.00 0.52 0.00 0.00 34.95 31.83 3ita s ARG 190 CO -0.02 0.13 -0.22 -0.65 0.02 0.00 0.00 175.30 174.56 3ita s GLN 191 N 0.86 2.83 0.40 3.54 -1.52 0.54 -4.99 119.66 121.33 3ita s GLN 191 Ca 0.07 -0.80 -0.22 0.00 -1.95 0.00 0.00 55.36 52.46 3ita s GLN 191 Cb -0.13 -2.19 -0.11 0.00 -0.22 0.00 0.00 33.01 30.37 3ita s GLN 191 CO 0.03 0.12 0.94 -1.25 -0.25 0.00 0.00 175.29 174.88 3ita s PRO 192 N 0.49 4.30 0.14 2.91 0.04 -1.26 -0.41 135.00 141.21 3ita s PRO 192 Ca -0.16 1.15 -0.31 0.00 0.04 0.00 0.00 61.00 61.72 3ita s PRO 192 Cb -0.17 -2.32 -0.11 0.00 0.04 0.00 0.00 34.50 31.94 3ita s PRO 192 CO 0.06 0.04 1.82 1.21 0.04 0.00 0.00 177.00 180.18 3ita s ASN 193 N -2.06 6.40 0.00 6.66 3.84 0.27 -4.64 114.94 125.41 3ita s ASN 193 Ca 0.59 2.80 0.26 0.00 0.21 0.00 0.00 52.86 56.72 3ita s ASN 193 Cb -0.11 -2.57 1.31 0.00 -0.55 0.00 0.00 41.25 39.32 3ita s ASN 193 CO 0.15 -1.01 1.86 -2.11 -2.79 0.00 0.00 177.10 173.21 3ita n ARG 194 N 5.36 0.39 -2.56 0.43 1.85 -1.25 -4.62 116.66 116.27 3ita n ARG 194 Ca 0.17 0.04 -0.41 0.00 -1.00 0.00 0.00 57.85 56.66 3ita n ARG 194 Cb 0.37 -1.50 -0.03 0.00 -1.05 0.00 0.00 32.46 30.25 3ita n ARG 194 CO 0.00 0.00 0.00 1.21 -0.01 0.00 0.00 177.63 178.83 3ita s ASN 195 N -2.53 6.27 0.39 2.89 2.47 -1.26 -4.83 114.94 118.34 3ita s ASN 195 Ca 0.25 -0.78 0.28 0.00 0.42 0.00 0.00 52.86 53.03 3ita s ASN 195 Cb 0.17 -2.56 1.07 0.00 -1.45 0.00 0.00 41.25 38.48 3ita s ASN 195 CO 0.38 -1.73 1.83 0.03 -3.72 0.00 0.00 177.10 173.89 3ita h ARG 196 N 9.95 0.00 0.00 0.43 3.08 -2.01 -2.25 114.38 123.58 3ita h ARG 196 Ca -0.12 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 59.93 3ita h ARG 196 Cb 1.04 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.09 3ita h ARG 196 CO 1.33 0.00 -0.01 -0.07 -1.07 0.00 0.00 179.97 180.15 3ita h LEU 197 N 0.00 0.00 -2.37 3.04 3.38 -1.96 -2.48 115.31 114.91 3ita h LEU 197 Ca 0.00 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.00 3ita h LEU 197 Cb 0.52 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 3ita h LEU 197 CO 0.00 0.01 0.13 -0.07 0.09 0.00 0.00 178.44 178.60 3ita h LEU 198 N 0.00 0.00 -0.87 1.67 3.38 -1.65 0.80 115.31 118.64 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 0.45 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.20 3ita h LEU 198 CO 0.00 0.00 -0.20 0.79 0.09 0.00 0.00 178.44 179.12 3ita n TRP 199 N -3.67 0.00 -1.71 1.13 8.01 -0.93 -4.82 117.44 115.45 3ita n TRP 199 Ca -0.00 0.00 -0.43 0.00 -1.31 0.00 0.00 57.50 55.76 3ita n TRP 199 Cb 0.23 -0.05 -0.01 0.00 -2.01 0.00 0.00 31.31 29.47 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 -0.09 3.12 0.09 -0.99 2.88 0.27 -4.91 113.62 113.99 3ita n SER 200 Ca 0.14 1.18 0.12 0.00 -1.33 0.00 0.00 58.87 58.97 3ita n SER 200 Cb 0.40 -1.51 0.03 0.00 -0.75 0.00 0.00 64.21 62.38 3ita n SER 200 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 3ita n SER 201 N 1.40 0.79 0.15 -3.46 7.64 -1.26 -4.42 113.62 114.46 3ita n SER 201 Ca 0.07 0.24 0.08 0.00 1.01 0.00 0.00 58.87 60.27 3ita n SER 201 Cb 0.35 0.44 0.06 0.00 -1.01 0.00 0.00 64.21 64.05 3ita n SER 201 CO 0.00 0.00 0.00 0.78 -3.01 0.00 0.00 175.04 172.81 3ita h ASN 202 N 0.00 0.00 -4.20 6.43 -0.26 -1.97 -3.46 115.58 112.12 3ita h ASN 202 Ca 0.00 0.00 -0.33 0.00 -0.56 0.00 0.00 56.30 55.41 3ita h ASN 202 Cb 0.93 0.00 -0.16 0.00 -1.06 0.00 0.00 38.32 38.02 3ita h ASN 202 CO 0.00 0.19 -0.73 -0.76 -1.06 0.00 0.00 177.43 175.07 3ita s LEU 203 N -5.98 2.46 -1.11 1.61 1.43 -1.26 -5.05 118.68 110.77 3ita s LEU 203 Ca 0.03 -0.90 -0.06 0.00 -1.03 0.00 0.00 54.13 52.17 3ita s LEU 203 Cb 0.07 -0.33 0.29 0.00 0.03 0.00 0.00 46.19 46.25 3ita s LEU 203 CO 0.74 -0.29 1.46 0.59 0.23 0.00 0.00 176.35 179.08 3ita n ASN 204 N 0.23 6.10 -4.72 2.29 3.02 -1.26 -4.64 115.26 116.29 3ita n ASN 204 Ca -0.14 -3.30 -0.40 0.00 -0.03 0.00 0.00 54.58 50.71 3ita n ASN 204 Cb 0.59 -1.32 -0.05 0.00 -0.61 0.00 0.00 39.78 38.39 3ita n ASN 204 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3ita s VAL 205 N -2.09 5.04 -0.07 2.41 1.01 -1.26 -2.59 120.40 122.85 3ita s VAL 205 Ca 0.32 1.47 0.11 0.00 0.00 0.00 0.00 61.98 63.88 3ita s VAL 205 Cb 0.02 -4.05 0.17 0.00 0.00 0.00 0.00 36.38 32.52 3ita s VAL 205 CO 0.06 0.25 1.07 -0.90 0.00 0.00 0.00 175.10 175.58 3ita n ASP 206 N 3.80 2.07 -3.60 3.32 3.85 -0.51 -4.59 116.55 120.89 3ita n ASP 206 Ca -0.01 -2.60 0.03 0.00 -0.71 0.00 0.00 54.79 51.50 3ita n ASP 206 Cb 0.51 -0.26 -0.00 0.00 -1.35 0.00 0.00 41.12 40.03 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 -0.45 0.03 6.12 0.00 -1.23 -3.31 107.32 106.42 3ita s GLY 207 Ca 0.18 0.79 0.00 0.00 0.00 0.00 0.00 44.72 45.70 3ita s GLY 207 CO 0.02 0.45 0.00 -0.13 0.00 0.00 0.00 173.10 173.44 3ita n MET 208 N -0.52 0.00 -3.64 2.90 1.56 0.12 -2.11 117.12 115.43 3ita n MET 208 Ca -0.09 0.00 -0.11 0.00 -0.27 0.00 0.00 57.70 57.23 3ita n MET 208 Cb 0.63 0.00 -0.07 0.00 2.15 0.00 0.00 33.22 35.93 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 0.75 0.19 2.12 2.47 -0.53 -4.97 119.74 117.78 3ita s LYS 209 Ca 0.00 1.04 0.05 0.00 -1.56 0.00 0.00 55.97 55.50 3ita s LYS 209 Cb 0.00 0.29 -0.04 0.00 -1.46 0.00 0.00 37.83 36.62 3ita s LYS 209 CO 0.00 -0.12 0.20 0.95 0.16 0.00 0.00 175.35 176.54 3ita s THR 210 N 0.85 4.70 0.25 3.43 -4.23 -1.26 -1.31 115.64 118.08 3ita s THR 210 Ca -0.04 -1.08 -0.20 0.00 -1.18 0.00 0.00 61.69 59.19 3ita s THR 210 Cb -0.05 -3.46 0.02 0.00 1.34 0.00 0.00 72.50 70.35 3ita s THR 210 CO -0.07 -0.19 0.65 -0.83 -0.54 0.00 0.00 174.62 173.64 3ita s GLY 211 N -3.41 -0.04 0.16 3.99 0.00 -1.01 -4.47 107.32 102.55 3ita s GLY 211 Ca 0.32 -0.31 0.05 0.00 0.00 0.00 0.00 44.72 44.78 3ita s GLY 211 CO 0.25 -0.17 -0.10 -1.08 0.00 0.00 0.00 173.10 172.00 3ita s THR 212 N -3.91 1.28 -0.06 0.90 -1.32 -1.26 -0.66 115.64 110.61 3ita s THR 212 Ca 0.12 -2.09 -0.03 0.00 -1.21 0.00 0.00 61.69 58.48 3ita s THR 212 Cb -0.04 -1.91 0.04 0.00 -1.51 0.00 0.00 72.50 69.07 3ita s THR 212 CO 0.04 -0.70 0.09 0.42 -2.21 0.00 0.00 174.62 172.27 3ita s THR 213 N -3.26 -0.15 0.26 5.08 -4.23 -0.67 -4.36 115.64 108.31 3ita s THR 213 Ca 0.18 0.38 -0.30 0.00 -1.18 0.00 0.00 61.69 60.77 3ita s THR 213 Cb 0.02 -0.21 -0.13 0.00 1.34 0.00 0.00 72.50 73.52 3ita s THR 213 CO 0.02 0.15 1.38 0.00 -0.54 0.00 0.00 174.62 175.63 3ita n ALA 214 N 5.31 1.13 -1.15 3.99 0.00 -1.26 -0.42 120.51 128.11 3ita n ALA 214 Ca -0.04 0.40 -0.05 0.00 0.00 0.00 0.00 53.44 53.75 3ita n ALA 214 Cb 0.50 -2.27 -0.02 0.00 0.00 0.00 0.00 19.45 17.66 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 1.87 0.57 1.01 0.00 0.00 -1.26 -4.74 105.19 102.64 3ita n GLY 215 Ca 0.10 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 1.09 2.92 0.00 4.61 0.00 0.44 -5.15 120.51 124.42 3ita n ALA 216 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 3ita n ALA 216 Cb 0.44 0.45 0.00 0.00 0.00 0.00 0.00 19.45 20.35 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 2.89 0.27 3.49 0.00 0.00 -0.80 -4.45 105.19 106.58 3ita n GLY 217 Ca 0.00 -1.50 -0.32 0.00 0.00 0.00 0.00 46.02 44.20 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 -1.65 2.71 0.13 1.61 1.51 0.19 -1.67 117.35 120.17 3ita s TYR 218 Ca 0.00 -0.15 0.07 0.00 -1.01 0.00 0.00 57.07 55.98 3ita s TYR 218 Cb 0.00 -1.60 -0.04 0.00 -0.11 0.00 0.00 41.96 40.21 3ita s TYR 218 CO 0.00 0.22 -0.18 -0.80 -1.11 0.00 0.00 175.55 173.69 3ita s ASN 219 N -0.92 2.37 -0.13 2.29 0.01 0.17 0.02 114.94 118.75 3ita s ASN 219 Ca 0.13 -0.77 -0.08 0.00 -0.71 0.00 0.00 52.86 51.43 3ita s ASN 219 Cb -0.11 -0.12 0.05 0.00 0.41 0.00 0.00 41.25 41.48 3ita s ASN 219 CO 0.02 -0.04 0.32 -0.22 -1.51 0.00 0.00 177.10 175.67 3ita s LEU 220 N -2.28 0.34 -0.24 0.60 2.96 0.20 -2.40 118.68 117.85 3ita s LEU 220 Ca 0.09 0.68 -0.08 0.00 -0.22 0.00 0.00 54.13 54.60 3ita s LEU 220 Cb -0.07 1.03 -0.04 0.00 0.50 0.00 0.00 46.19 47.61 3ita s LEU 220 CO 0.05 -0.16 0.10 -0.69 -1.32 0.00 0.00 176.35 174.33 3ita s VAL 221 N 1.02 4.76 0.09 1.68 1.01 -0.43 -0.62 120.40 127.91 3ita s VAL 221 Ca -0.07 -0.03 0.04 0.00 0.00 0.00 0.00 61.98 61.92 3ita s VAL 221 Cb -0.08 -3.21 -0.03 0.00 0.00 0.00 0.00 36.38 33.06 3ita s VAL 221 CO -0.08 0.35 -0.10 0.00 0.00 0.00 0.00 175.10 175.27 3ita s ALA 222 N 1.26 1.06 -0.07 5.51 0.00 -0.29 0.14 121.76 129.36 3ita s ALA 222 Ca 0.06 -1.11 -0.10 0.00 0.00 0.00 0.00 51.96 50.81 3ita s ALA 222 Cb -0.14 0.01 0.02 0.00 0.00 0.00 0.00 23.12 23.01 3ita s ALA 222 CO 0.05 -0.00 0.25 0.45 0.00 0.00 0.00 175.76 176.51 3ita s SER 223 N -2.23 -0.22 0.04 0.00 0.15 -0.90 -0.78 113.70 109.76 3ita s SER 223 Ca 0.02 0.36 -0.05 0.00 0.70 0.00 0.00 55.95 56.98 3ita s SER 223 Cb -0.05 0.46 -0.01 0.00 -1.71 0.00 0.00 66.02 64.71 3ita s SER 223 CO 0.00 -0.18 0.09 0.00 1.20 0.00 0.00 173.24 174.35 3ita s ALA 224 N -0.29 -0.05 0.10 5.45 0.00 -0.89 -1.42 121.76 124.66 3ita s ALA 224 Ca -0.04 -0.58 0.05 0.00 0.00 0.00 0.00 51.96 51.40 3ita s ALA 224 Cb -0.03 0.26 -0.03 0.00 0.00 0.00 0.00 23.12 23.31 3ita s ALA 224 CO 0.01 -0.32 -0.14 0.95 0.00 0.00 0.00 175.76 176.26 3ita s THR 225 N -2.68 1.22 -0.26 0.00 -4.23 -1.07 -1.83 115.64 106.79 3ita s THR 225 Ca -0.04 -1.53 -0.03 0.00 -1.18 0.00 0.00 61.69 58.91 3ita s THR 225 Cb -0.01 -1.32 0.09 0.00 1.34 0.00 0.00 72.50 72.60 3ita s THR 225 CO -0.05 -0.33 0.10 -1.10 -0.54 0.00 0.00 174.62 172.70 3ita s GLN 226 N -2.26 0.39 5.48 3.99 -0.21 0.32 -4.35 119.66 123.01 3ita s GLN 226 Ca 0.04 -0.59 0.00 0.00 0.02 0.00 0.00 55.36 54.83 3ita s GLN 226 Cb -0.07 -1.64 0.00 0.00 1.00 0.00 0.00 33.01 32.30 3ita s GLN 226 CO 0.02 -0.90 0.00 0.41 -2.12 0.00 0.00 175.29 172.71 3ita n GLY 227 N 5.11 3.17 0.05 3.09 0.00 -1.26 -1.73 105.19 113.61 3ita n GLY 227 Ca -0.06 -0.12 0.10 0.00 0.00 0.00 0.00 46.02 45.95 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 3.16 0.26 -4.73 1.61 10.43 -1.26 -4.74 116.55 121.27 3ita n ASP 228 Ca 0.00 0.55 -0.38 0.00 2.57 0.00 0.00 54.79 57.54 3ita n ASP 228 Cb 0.00 -0.61 -0.06 0.00 1.84 0.00 0.00 41.12 42.29 3ita n ASP 228 CO 0.00 0.00 0.00 -0.32 -1.07 0.00 0.00 177.20 175.81 3ita s MET 229 N -3.10 4.28 -0.06 -1.24 1.75 -0.71 -4.97 119.30 115.26 3ita s MET 229 Ca 0.08 0.36 0.02 0.00 -1.25 0.00 0.00 55.69 54.91 3ita s MET 229 Cb 0.11 -3.41 0.01 0.00 2.84 0.00 0.00 34.83 34.38 3ita s MET 229 CO 0.37 0.23 -0.12 0.50 -0.65 0.00 0.00 175.02 175.35 3ita s ARG 230 N 0.43 1.54 0.14 4.11 3.52 -1.26 -0.52 118.95 126.89 3ita s ARG 230 Ca 0.24 -0.39 0.09 0.00 -0.13 0.00 0.00 55.73 55.53 3ita s ARG 230 Cb -0.15 -1.30 -0.04 0.00 -1.56 0.00 0.00 34.95 31.90 3ita s ARG 230 CO 0.09 0.05 -0.14 -0.51 -0.81 0.00 0.00 175.30 173.99 3ita s LEU 231 N 0.55 2.85 -0.12 -0.88 1.43 -0.76 -1.21 118.68 120.54 3ita s LEU 231 Ca -0.12 -0.54 0.03 0.00 -1.03 0.00 0.00 54.13 52.47 3ita s LEU 231 Cb -0.14 -1.63 0.01 0.00 0.03 0.00 0.00 46.19 44.46 3ita s LEU 231 CO 0.03 0.15 -0.20 -0.63 0.23 0.00 0.00 176.35 175.93 3ita s ILE 232 N -1.36 1.86 0.07 -0.59 1.01 0.68 -2.10 121.20 120.76 3ita s ILE 232 Ca 0.21 -0.87 0.07 0.00 0.00 0.00 0.00 60.65 60.06 3ita s ILE 232 Cb -0.10 -1.65 -0.04 0.00 0.01 0.00 0.00 42.46 40.69 3ita s ILE 232 CO 0.13 0.51 -0.12 -0.94 0.00 0.00 0.00 174.94 174.51 3ita s SER 233 N 0.75 4.23 -0.07 3.58 1.04 0.04 -0.52 113.70 122.75 3ita s SER 233 Ca -0.10 -0.37 0.02 0.00 0.48 0.00 0.00 55.95 55.98 3ita s SER 233 Cb -0.16 -0.79 0.01 0.00 0.10 0.00 0.00 66.02 65.18 3ita s SER 233 CO 0.01 0.22 -0.12 -0.69 0.98 0.00 0.00 173.24 173.63 3ita s VAL 234 N -1.10 1.15 -0.07 5.02 1.01 -0.27 -1.14 120.40 124.99 3ita s VAL 234 Ca 0.19 -0.48 0.02 0.00 0.00 0.00 0.00 61.98 61.71 3ita s VAL 234 Cb -0.11 -1.05 0.01 0.00 0.00 0.00 0.00 36.38 35.24 3ita s VAL 234 CO 0.10 0.36 -0.13 -0.69 0.00 0.00 0.00 175.10 174.74 3ita s VAL 235 N 0.67 1.22 -0.06 2.92 1.01 0.21 -1.41 120.40 124.95 3ita s VAL 235 Ca -0.15 -0.53 0.03 0.00 0.00 0.00 0.00 61.98 61.34 3ita s VAL 235 Cb -0.16 -1.11 0.01 0.00 0.00 0.00 0.00 36.38 35.12 3ita s VAL 235 CO 0.04 0.37 -0.14 -0.76 0.00 0.00 0.00 175.10 174.61 3ita s LEU 236 N 0.65 1.77 -0.98 3.92 1.02 -0.47 0.58 118.68 125.17 3ita s LEU 236 Ca -0.15 -0.33 -0.01 0.00 0.02 0.00 0.00 54.13 53.66 3ita s LEU 236 Cb -0.16 -0.90 0.00 0.00 0.02 0.00 0.00 46.19 45.15 3ita s LEU 236 CO 0.04 0.08 0.82 0.61 0.02 0.00 0.00 176.35 177.92 3ita n GLY 237 N 3.57 -0.20 3.81 -3.19 0.00 -0.48 -2.26 105.19 106.44 3ita n GLY 237 Ca -0.21 -0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.48 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 -3.28 2.90 0.18 4.61 0.00 0.10 -2.39 121.76 123.88 3ita s ALA 238 Ca 0.07 0.41 0.13 0.00 0.00 0.00 0.00 51.96 52.58 3ita s ALA 238 Cb -0.03 -3.20 0.37 0.00 0.00 0.00 0.00 23.12 20.25 3ita s ALA 238 CO 0.58 -0.39 1.60 0.87 0.00 0.00 0.00 175.76 178.41 3ita h LYS 239 N 1.10 0.00 -4.33 0.00 1.57 -1.87 0.56 116.57 113.60 3ita h LYS 239 Ca -0.48 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.15 3ita h LYS 239 Cb 1.21 0.00 -0.16 0.00 0.08 0.00 0.00 32.23 33.36 3ita h LYS 239 CO 0.59 0.58 -0.69 0.95 -0.57 0.00 0.00 179.45 180.31 3ita s THR 240 N -3.44 0.33 0.31 -0.16 -4.23 -1.26 -4.82 115.64 102.37 3ita s THR 240 Ca -0.00 -1.75 0.04 0.00 -1.18 0.00 0.00 61.69 58.80 3ita s THR 240 Cb 0.11 -1.43 0.39 0.00 1.34 0.00 0.00 72.50 72.92 3ita s THR 240 CO 0.74 -0.91 1.58 -0.78 -0.54 0.00 0.00 174.62 174.71 3ita h ASP 241 N 3.27 -0.33 0.07 3.99 3.58 -1.97 -1.51 116.42 123.51 3ita h ASP 241 Ca -0.34 0.27 -0.24 0.00 0.42 0.00 0.00 57.03 57.14 3ita h ASP 241 Cb 1.15 0.44 0.01 0.00 1.72 0.00 0.00 39.33 42.65 3ita h ASP 241 CO 0.63 -0.35 -0.92 -0.09 -2.88 0.00 0.00 179.24 175.63 3ita h ARG 242 N 0.03 0.63 -0.16 0.28 2.43 -1.99 -2.80 114.38 112.80 3ita h ARG 242 Ca 0.62 -0.61 -0.16 0.00 -0.81 0.00 0.00 59.98 59.02 3ita h ARG 242 Cb 1.34 0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 31.04 3ita h ARG 242 CO -0.88 1.22 -0.57 0.82 -1.51 0.00 0.00 179.97 179.05 3ita h ILE 243 N 0.38 1.33 -0.39 1.20 2.04 -1.89 0.94 117.51 121.12 3ita h ILE 243 Ca -0.09 -1.85 0.08 0.00 1.00 0.00 0.00 64.86 64.00 3ita h ILE 243 Cb 1.56 1.83 -0.08 0.00 -0.74 0.00 0.00 36.82 39.39 3ita h ILE 243 CO 0.18 0.57 -0.10 -0.09 0.00 0.00 0.00 178.15 178.70 3ita h ARG 244 N 0.38 -0.00 0.02 2.37 1.12 -1.21 0.85 114.38 117.92 3ita h ARG 244 Ca 0.00 0.00 -0.14 0.00 -1.11 0.00 0.00 59.98 58.73 3ita h ARG 244 Cb 1.11 0.00 0.01 0.00 -0.01 0.00 0.00 29.97 31.09 3ita h ARG 244 CO 0.10 -0.00 -0.57 0.74 -3.11 0.00 0.00 179.97 177.13 3ita h PHE 245 N -0.00 0.53 -0.67 2.20 0.04 -1.23 -3.18 116.94 114.63 3ita h PHE 245 Ca 0.19 -0.31 -0.01 0.00 2.80 0.00 0.00 57.97 60.65 3ita h PHE 245 Cb 0.29 -0.05 -0.03 0.00 2.20 0.00 0.00 35.95 38.36 3ita h PHE 245 CO -0.35 1.14 0.39 -0.91 -0.60 0.00 0.00 178.31 177.98 3ita h ASN 246 N -0.23 0.82 0.30 2.17 2.35 -0.66 -1.48 115.58 118.85 3ita h ASN 246 Ca -0.08 -0.08 -0.12 0.00 -0.55 0.00 0.00 56.30 55.47 3ita h ASN 246 Cb 1.32 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 39.47 3ita h ASN 246 CO 0.11 0.65 -0.49 -0.33 -1.65 0.00 0.00 177.43 175.73 3ita h GLU 247 N 0.91 0.22 -0.19 0.81 4.39 -0.94 -0.96 114.58 118.81 3ita h GLU 247 Ca 0.24 -0.12 -0.03 0.00 0.34 0.00 0.00 59.36 59.79 3ita h GLU 247 Cb 0.00 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.65 3ita h GLU 247 CO -0.04 0.66 0.01 0.77 -1.16 0.00 0.00 179.01 179.26 3ita h SER 248 N 0.18 0.32 -0.74 1.42 0.02 -1.48 -2.08 113.55 111.19 3ita h SER 248 Ca 0.01 -0.29 0.04 0.00 -0.84 0.00 0.00 61.79 60.71 3ita h SER 248 Cb 0.93 -0.09 -0.05 0.00 0.14 0.00 0.00 62.40 63.34 3ita h SER 248 CO 0.07 0.53 0.46 -0.08 -1.14 0.00 0.00 176.83 176.68 3ita h GLU 249 N 0.11 0.87 -0.33 3.45 4.81 -0.88 -2.04 114.58 120.57 3ita h GLU 249 Ca 0.06 -0.05 -0.05 0.00 -0.13 0.00 0.00 59.36 59.19 3ita h GLU 249 Cb 0.36 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.53 3ita h GLU 249 CO 0.01 0.57 0.02 -0.22 -0.73 0.00 0.00 179.01 178.66 3ita h LYS 250 N 0.89 0.56 -0.02 1.92 3.64 -1.08 -0.10 116.57 122.38 3ita h LYS 250 Ca 0.31 -0.17 0.03 0.00 -1.27 0.00 0.00 60.65 59.55 3ita h LYS 250 Cb 0.05 -0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 31.77 3ita h LYS 250 CO -0.12 0.67 -0.28 -0.07 -2.27 0.00 0.00 179.45 177.37 3ita h LEU 251 N 0.37 -0.85 -0.91 5.20 3.38 -1.18 0.02 115.31 121.34 3ita h LEU 251 Ca 0.10 0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.18 3ita h LEU 251 Cb 0.40 0.35 -0.04 0.00 0.09 0.00 0.00 40.66 41.46 3ita h LEU 251 CO 0.01 -0.35 0.57 -0.07 0.09 0.00 0.00 178.44 178.69 3ita h LEU 252 N -0.42 1.07 -0.35 1.67 3.38 -1.30 -1.34 115.31 118.02 3ita h LEU 252 Ca 0.07 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 3ita h LEU 252 Cb 0.52 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 3ita h LEU 252 CO -0.26 0.80 0.17 0.74 0.09 0.00 0.00 178.44 179.98 3ita h THR 253 N 1.24 1.17 -0.37 0.22 2.02 -0.79 -2.58 112.91 113.82 3ita h THR 253 Ca 0.33 -0.48 0.07 0.00 0.77 0.00 0.00 66.41 67.09 3ita h THR 253 Cb -0.09 0.83 -0.06 0.00 -1.74 0.00 0.00 68.15 67.09 3ita h THR 253 CO -0.07 0.18 -0.01 -0.25 0.37 0.00 0.00 175.52 175.74 3ita h TRP 254 N 0.43 -0.03 -0.20 3.16 7.01 -0.68 -0.86 115.95 124.78 3ita h TRP 254 Ca 0.12 0.03 0.05 0.00 2.11 0.00 0.00 58.89 61.20 3ita h TRP 254 Cb 0.13 0.07 -0.05 0.00 -2.10 0.00 0.00 29.16 27.21 3ita h TRP 254 CO -0.01 -0.08 -0.11 0.78 -2.79 0.00 0.00 178.44 176.23 3ita h GLY 255 N 0.09 0.06 2.00 2.65 0.00 -1.04 -2.50 103.07 104.33 3ita h GLY 255 Ca 0.18 0.13 -0.10 0.00 0.00 0.00 0.00 47.33 47.55 3ita h GLY 255 CO -0.30 -0.13 -0.46 0.74 0.00 0.00 0.00 176.54 176.39 3ita h PHE 256 N -0.09 0.00 -0.37 5.60 0.04 -1.28 -1.44 116.94 119.41 3ita h PHE 256 Ca 0.11 0.00 -0.11 0.00 2.80 0.00 0.00 57.97 60.78 3ita h PHE 256 Cb 0.26 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.39 3ita h PHE 256 CO -0.27 0.46 -0.20 -0.09 -0.60 0.00 0.00 178.31 177.61 3ita h ARG 257 N 0.00 0.71 0.00 1.51 2.43 -0.81 -3.37 114.38 114.85 3ita h ARG 257 Ca -0.00 -0.27 0.00 0.00 -0.81 0.00 0.00 59.98 58.90 3ita h ARG 257 Cb 1.04 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.54 3ita h ARG 257 CO 0.06 0.86 -0.58 1.19 -1.51 0.00 0.00 179.97 179.98 3ita n PHE 258 N -4.13 0.00 -4.29 2.20 3.72 -0.97 -4.95 117.46 109.04 3ita n PHE 258 Ca 0.00 0.00 -0.18 0.00 -0.05 0.00 0.00 57.45 57.22 3ita n PHE 258 Cb 0.41 -0.04 -0.11 0.00 -0.94 0.00 0.00 39.48 38.80 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 -1.81 1.56 0.09 1.38 0.40 -0.55 -1.41 117.98 117.64 3ita s PHE 259 Ca 0.01 -0.57 0.03 0.00 -0.60 0.00 0.00 56.93 55.80 3ita s PHE 259 Cb 0.04 -0.77 -0.04 0.00 0.51 0.00 0.00 43.02 42.76 3ita s PHE 259 CO 0.23 0.24 -0.09 -1.83 0.70 0.00 0.00 175.22 174.47 3ita s GLU 260 N -3.13 0.80 -0.16 0.44 -1.05 0.11 -4.71 118.70 110.99 3ita s GLU 260 Ca 0.15 -1.13 -0.00 0.00 -0.15 0.00 0.00 54.97 53.84 3ita s GLU 260 Cb -0.03 -0.45 -0.00 0.00 -0.44 0.00 0.00 34.13 33.21 3ita s GLU 260 CO 0.04 0.06 -0.14 0.99 0.95 0.00 0.00 175.26 177.17 3ita s THR 261 N -2.47 2.81 0.25 1.83 2.01 -1.26 -1.56 115.64 117.24 3ita s THR 261 Ca 0.04 -0.72 0.03 0.00 0.31 0.00 0.00 61.69 61.35 3ita s THR 261 Cb -0.03 -2.20 -0.05 0.00 0.01 0.00 0.00 72.50 70.23 3ita s THR 261 CO -0.01 0.51 0.03 0.68 -0.69 0.00 0.00 174.62 175.14 3ita s VAL 262 N 0.83 0.92 -0.52 3.82 -7.23 0.05 -4.95 120.40 113.31 3ita s VAL 262 Ca -0.04 -2.02 0.04 0.00 -1.81 0.00 0.00 61.98 58.15 3ita s VAL 262 Cb -0.15 -2.48 0.16 0.00 0.56 0.00 0.00 36.38 34.46 3ita s VAL 262 CO -0.00 -0.20 0.35 -0.89 -0.31 0.00 0.00 175.10 174.06 3ita s THR 263 N -3.50 1.56 -0.43 5.32 2.01 -1.26 -1.41 115.64 117.94 3ita s THR 263 Ca 0.32 -3.15 0.26 0.00 0.31 0.00 0.00 61.69 59.43 3ita s THR 263 Cb 0.07 -2.06 0.31 0.00 0.01 0.00 0.00 72.50 70.83 3ita s THR 263 CO 0.11 -1.04 1.77 1.55 -0.69 0.00 0.00 174.62 176.32 3ita h PRO 264 N 5.96 0.00 -4.25 4.92 0.13 -1.96 -3.37 132.00 133.42 3ita h PRO 264 Ca 0.13 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.65 3ita h PRO 264 Cb 0.87 0.00 -0.39 0.00 0.13 0.00 0.00 31.00 31.61 3ita h PRO 264 CO 0.52 0.00 -0.77 0.42 -0.23 0.00 0.00 178.00 177.94 3ita s ILE 265 N -3.31 1.50 0.68 -3.56 1.01 -1.25 -5.13 121.20 111.14 3ita s ILE 265 Ca 0.06 -1.39 -0.13 0.00 0.00 0.00 0.00 60.65 59.20 3ita s ILE 265 Cb 0.09 -1.88 0.00 0.00 0.01 0.00 0.00 42.46 40.69 3ita s ILE 265 CO 0.53 -0.26 1.07 -0.54 0.00 0.00 0.00 174.94 175.74 3ita s LYS 266 N 1.37 2.90 0.60 2.79 1.02 -1.26 -4.24 119.74 122.92 3ita s LYS 266 Ca -0.01 1.11 0.30 0.00 0.02 0.00 0.00 55.97 57.39 3ita s LYS 266 Cb -0.19 -1.98 1.76 0.00 -0.52 0.00 0.00 37.83 36.90 3ita s LYS 266 CO -0.09 -1.14 2.16 -1.35 -0.92 0.00 0.00 175.35 174.00 3ita h PRO 267 N -0.39 0.00 -0.01 -1.68 0.11 -1.95 -1.06 132.00 127.01 3ita h PRO 267 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3ita h PRO 267 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3ita h PRO 267 CO 0.56 0.00 -0.00 -0.25 -0.21 0.00 0.00 178.00 178.10 3ita n ASP 268 N -3.73 1.92 -4.84 -2.05 10.43 -1.26 -4.18 116.55 112.85 3ita n ASP 268 Ca -0.00 -1.46 -0.33 0.00 2.57 0.00 0.00 54.79 55.57 3ita n ASP 268 Cb 0.24 0.00 -0.06 0.00 1.84 0.00 0.00 41.12 43.14 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 -0.92 3.29 -0.24 2.24 0.00 -0.40 -5.04 121.76 120.68 3ita s ALA 269 Ca 0.13 0.12 -0.19 0.00 0.00 0.00 0.00 51.96 52.02 3ita s ALA 269 Cb 0.09 -2.84 -0.03 0.00 0.00 0.00 0.00 23.12 20.35 3ita s ALA 269 CO 0.14 0.30 0.57 0.99 0.00 0.00 0.00 175.76 177.75 3ita s THR 270 N -1.96 5.04 -0.04 0.00 2.01 -1.26 -4.48 115.64 114.96 3ita s THR 270 Ca 0.54 1.01 -0.11 0.00 0.31 0.00 0.00 61.69 63.44 3ita s THR 270 Cb -0.11 -3.88 -0.31 0.00 0.01 0.00 0.00 72.50 68.21 3ita s THR 270 CO 0.17 0.09 0.69 0.15 -0.69 0.00 0.00 174.62 175.03 3ita h PHE 271 N 7.81 0.75 -1.97 4.92 3.57 -0.83 -3.49 116.94 127.71 3ita h PHE 271 Ca -0.29 -0.54 -0.04 0.00 3.53 0.00 0.00 57.97 60.62 3ita h PHE 271 Cb 1.14 -0.03 -0.20 0.00 2.79 0.00 0.00 35.95 39.65 3ita h PHE 271 CO 0.74 1.68 0.20 0.54 -2.23 0.00 0.00 178.31 179.24 3ita s VAL 272 N -2.58 0.00 0.15 1.41 0.11 -1.01 -5.04 120.40 113.44 3ita s VAL 272 Ca -0.16 0.00 0.03 0.00 -2.93 0.00 0.00 61.98 58.92 3ita s VAL 272 Cb 0.05 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.87 3ita s VAL 272 CO 0.86 0.00 0.27 0.42 -3.33 0.00 0.00 175.10 173.32 3ita s THR 273 N -0.83 5.23 0.05 5.04 -4.23 -1.26 -0.91 115.64 118.73 3ita s THR 273 Ca -0.08 -0.73 0.03 0.00 -1.18 0.00 0.00 61.69 59.73 3ita s THR 273 Cb -0.01 -3.69 -0.02 0.00 1.34 0.00 0.00 72.50 70.11 3ita s THR 273 CO 0.07 -0.09 -0.10 -1.10 -0.54 0.00 0.00 174.62 172.86 3ita s GLN 274 N -3.22 0.64 0.56 3.99 -1.52 -0.46 -4.95 119.66 114.71 3ita s GLN 274 Ca 0.34 -0.78 -0.20 0.00 -1.95 0.00 0.00 55.36 52.77 3ita s GLN 274 Cb -0.11 -0.51 -0.05 0.00 -0.22 0.00 0.00 33.01 32.12 3ita s GLN 274 CO 0.28 0.11 1.14 -2.13 -0.25 0.00 0.00 175.29 174.44 3ita n ARG 275 N 1.54 1.25 -4.54 2.91 0.63 -1.26 -0.24 116.66 116.94 3ita n ARG 275 Ca -0.21 0.47 -0.21 0.00 -0.92 0.00 0.00 57.85 56.98 3ita n ARG 275 Cb 0.55 -2.33 -0.15 0.00 0.45 0.00 0.00 32.46 30.98 3ita n ARG 275 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 3ita s VAL 276 N -1.39 0.96 0.01 5.15 0.11 -0.46 -4.30 120.40 120.47 3ita s VAL 276 Ca 0.74 -0.52 -0.16 0.00 -2.93 0.00 0.00 61.98 59.11 3ita s VAL 276 Cb -0.43 -0.81 -0.06 0.00 -1.53 0.00 0.00 36.38 33.56 3ita s VAL 276 CO 0.48 0.27 0.45 0.26 -3.33 0.00 0.00 175.10 173.24 3ita s TRP 277 N -0.26 3.73 -1.03 1.54 0.52 -0.35 -4.52 118.94 118.57 3ita s TRP 277 Ca 0.04 1.06 -0.00 0.00 0.02 0.00 0.00 56.10 57.22 3ita s TRP 277 Cb -0.05 -2.37 0.00 0.00 -1.15 0.00 0.00 33.47 29.91 3ita s TRP 277 CO -0.00 0.59 0.03 1.19 0.02 0.00 0.00 176.95 178.77 3ita n PHE 278 N 1.96 -0.62 -4.43 -1.98 3.72 -1.26 -1.85 117.46 112.99 3ita n PHE 278 Ca -0.12 0.02 -0.28 0.00 -0.05 0.00 0.00 57.45 57.02 3ita n PHE 278 Cb 0.52 -2.76 -0.08 0.00 -0.94 0.00 0.00 39.48 36.22 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 -2.48 2.60 0.00 1.37 0.00 -1.26 -1.36 107.32 106.19 3ita s GLY 279 Ca 0.01 -1.56 0.24 0.00 0.00 0.00 0.00 44.72 43.41 3ita s GLY 279 CO 0.02 -2.06 1.73 2.09 0.00 0.00 0.00 173.10 174.88 3ita n ASP 280 N -1.23 1.01 -4.13 1.64 5.75 0.15 -4.03 116.55 115.71 3ita n ASP 280 Ca -0.08 -1.49 -0.16 0.00 -0.01 0.00 0.00 54.79 53.06 3ita n ASP 280 Cb 0.66 -0.04 -0.12 0.00 -1.03 0.00 0.00 41.12 40.59 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 -1.92 0.71 0.10 0.11 1.02 -1.26 -4.98 119.74 113.52 3ita s LYS 281 Ca 0.35 -0.91 0.23 0.00 0.02 0.00 0.00 55.97 55.65 3ita s LYS 281 Cb 0.18 -0.58 0.06 0.00 -0.52 0.00 0.00 37.83 36.97 3ita s LYS 281 CO 0.28 0.12 1.04 -1.13 -0.92 0.00 0.00 175.35 174.75 3ita n SER 282 N 1.23 0.64 -4.14 2.83 3.41 -1.26 -4.71 113.62 111.62 3ita n SER 282 Ca -0.21 0.02 -0.09 0.00 -0.26 0.00 0.00 58.87 58.32 3ita n SER 282 Cb 0.55 0.67 -0.10 0.00 -0.26 0.00 0.00 64.21 65.07 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 -3.26 0.75 -0.01 4.33 2.02 -1.26 -1.36 118.70 119.91 3ita s GLU 283 Ca 0.02 -1.30 0.03 0.00 0.02 0.00 0.00 54.97 53.75 3ita s GLU 283 Cb 0.13 -0.04 -0.01 0.00 0.10 0.00 0.00 34.13 34.32 3ita s GLU 283 CO 0.79 -0.06 -0.10 0.54 0.02 0.00 0.00 175.26 176.45 3ita s VAL 284 N -3.75 0.81 -0.02 2.63 0.11 0.66 -4.82 120.40 116.03 3ita s VAL 284 Ca 0.10 -0.43 -0.30 0.00 -2.93 0.00 0.00 61.98 58.43 3ita s VAL 284 Cb 0.06 -0.69 -0.04 0.00 -1.53 0.00 0.00 36.38 34.19 3ita s VAL 284 CO -0.07 0.23 1.15 0.20 -3.33 0.00 0.00 175.10 173.29 3ita s ASN 285 N -0.16 7.12 0.12 3.54 0.02 -1.26 -1.36 114.94 122.96 3ita s ASN 285 Ca 0.03 1.82 0.10 0.00 -1.02 0.00 0.00 52.86 53.79 3ita s ASN 285 Cb -0.05 -2.57 -0.04 0.00 0.02 0.00 0.00 41.25 38.62 3ita s ASN 285 CO -0.00 -0.49 -0.24 -0.76 0.02 0.00 0.00 177.10 175.62 3ita s LEU 286 N 1.71 2.41 0.00 0.60 1.43 -0.08 -0.93 118.68 123.82 3ita s LEU 286 Ca 0.55 -0.68 0.00 0.00 -1.03 0.00 0.00 54.13 52.97 3ita s LEU 286 Cb -0.25 -1.32 0.00 0.00 0.03 0.00 0.00 46.19 44.66 3ita s LEU 286 CO 0.24 0.19 0.00 0.61 0.23 0.00 0.00 176.35 177.62 3ita n GLY 287 N 0.97 2.73 0.00 -3.19 0.00 -0.47 -0.05 105.19 105.19 3ita n GLY 287 Ca -0.17 -0.72 0.06 0.00 0.00 0.00 0.00 46.02 45.18 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 2.77 -0.74 4.61 0.00 -1.26 -0.61 120.51 122.28 3ita n ALA 288 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.15 3ita n ALA 288 Cb 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 19.45 19.04 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 1.66 2.53 0.00 0.00 0.00 -1.26 -2.29 105.19 105.82 3ita n GLY 289 Ca -0.01 -0.38 0.12 0.00 0.00 0.00 0.00 46.02 45.75 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 13.47 0.26 -1.09 1.61 -0.58 -1.26 -3.75 120.64 129.31 3ita n GLU 290 Ca 0.00 0.05 -0.16 0.00 -0.42 0.00 0.00 57.16 56.64 3ita n GLU 290 Cb 0.00 -1.50 0.17 0.00 -0.57 0.00 0.00 31.44 29.54 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 -1.34 5.06 1.05 0.62 0.00 -0.97 -4.53 120.51 120.41 3ita n ALA 291 Ca 0.10 -3.12 0.08 0.00 0.00 0.00 0.00 53.44 50.51 3ita n ALA 291 Cb 0.23 -1.09 0.28 0.00 0.00 0.00 0.00 19.45 18.86 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 -1.10 0.47 3.78 0.00 0.00 -1.25 -4.89 105.19 102.20 3ita n GLY 292 Ca 0.47 -0.41 -0.38 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.32 7.38 -0.02 1.61 0.01 -1.26 -3.73 113.70 116.38 3ita s SER 293 Ca 0.29 1.75 0.01 0.00 1.31 0.00 0.00 55.95 59.31 3ita s SER 293 Cb 0.15 -2.54 0.01 0.00 0.21 0.00 0.00 66.02 63.85 3ita s SER 293 CO 0.22 0.07 -0.05 -0.69 0.41 0.00 0.00 173.24 173.20 3ita s VAL 294 N -1.38 0.46 -0.24 3.43 1.01 -0.50 -4.61 120.40 118.57 3ita s VAL 294 Ca 0.43 -0.18 -0.07 0.00 0.00 0.00 0.00 61.98 62.16 3ita s VAL 294 Cb -0.21 -0.43 -0.03 0.00 0.00 0.00 0.00 36.38 35.71 3ita s VAL 294 CO 0.26 0.16 0.06 -0.89 0.00 0.00 0.00 175.10 174.69 3ita s THR 295 N 0.27 4.29 0.20 3.92 2.01 -1.26 -0.77 115.64 124.29 3ita s THR 295 Ca -0.03 -0.18 0.02 0.00 0.31 0.00 0.00 61.69 61.81 3ita s THR 295 Cb -0.07 -3.00 -0.05 0.00 0.01 0.00 0.00 72.50 69.40 3ita s THR 295 CO -0.00 0.36 0.02 0.27 -0.69 0.00 0.00 174.62 174.57 3ita s ILE 296 N 1.47 0.71 0.63 1.82 -4.36 -0.60 -4.97 121.20 115.90 3ita s ILE 296 Ca 0.06 -1.99 -0.18 0.00 -0.26 0.00 0.00 60.65 58.27 3ita s ILE 296 Cb -0.15 -2.24 -0.02 0.00 1.25 0.00 0.00 42.46 41.30 3ita s ILE 296 CO 0.03 -0.37 1.25 -2.84 0.24 0.00 0.00 174.94 173.25 3ita s PRO 297 N -3.93 2.68 0.33 0.37 0.02 -1.26 -0.71 135.00 132.50 3ita s PRO 297 Ca 0.27 1.93 -0.29 0.00 0.02 0.00 0.00 61.00 62.93 3ita s PRO 297 Cb 0.06 -1.88 -0.11 0.00 0.02 0.00 0.00 34.50 32.59 3ita s PRO 297 CO 0.06 -1.46 1.55 1.03 -0.33 0.00 0.00 177.00 177.86 3ita s ARG 298 N -3.42 4.11 -0.04 5.54 0.52 -0.50 -2.19 118.95 122.96 3ita s ARG 298 Ca 0.79 2.59 0.00 0.00 -0.52 0.00 0.00 55.73 58.59 3ita s ARG 298 Cb -0.33 -2.99 0.00 0.00 0.52 0.00 0.00 34.95 32.14 3ita s ARG 298 CO 0.37 -0.60 0.00 0.41 0.02 0.00 0.00 175.30 175.51 3ita n GLY 299 N 1.38 0.43 0.35 -3.53 0.00 -1.26 -4.91 105.19 97.65 3ita n GLY 299 Ca 0.05 -0.08 0.13 0.00 0.00 0.00 0.00 46.02 46.11 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 -2.26 1.06 -0.20 1.61 1.13 -0.93 -4.46 117.38 113.34 3ita n GLN 300 Ca -0.00 -0.70 -0.02 0.00 -1.94 0.00 0.00 57.00 54.34 3ita n GLN 300 Cb 0.10 -1.49 0.08 0.00 0.11 0.00 0.00 30.24 29.05 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 1.70 0.42 -2.05 1.08 5.85 -1.91 0.12 115.31 120.52 3ita h LEU 301 Ca 0.00 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.76 3ita h LEU 301 Cb 0.57 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.56 3ita h LEU 301 CO 0.00 0.28 0.08 0.07 -0.34 0.00 0.00 178.44 178.53 3ita h LYS 302 N 0.56 0.00 -0.01 1.25 2.10 -2.00 -1.25 116.57 117.22 3ita h LYS 302 Ca 0.27 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.92 3ita h LYS 302 Cb 0.20 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.53 3ita h LYS 302 CO -0.19 0.00 -0.75 0.09 -2.00 0.00 0.00 179.45 176.60 3ita n ASN 303 N -2.64 1.33 -4.75 7.07 5.03 0.39 -4.97 115.26 116.73 3ita n ASN 303 Ca -0.02 -1.16 -0.41 0.00 0.87 0.00 0.00 54.58 53.86 3ita n ASN 303 Cb 0.13 0.80 -0.03 0.00 -1.02 0.00 0.00 39.78 39.66 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 -2.72 4.44 -0.15 3.41 2.96 -0.47 -4.61 118.68 121.54 3ita s LEU 304 Ca 0.11 2.43 0.02 0.00 -0.22 0.00 0.00 54.13 56.47 3ita s LEU 304 Cb 0.16 -3.62 0.01 0.00 0.50 0.00 0.00 46.19 43.23 3ita s LEU 304 CO 0.71 -0.46 -0.20 -0.54 -1.32 0.00 0.00 176.35 174.54 3ita s LYS 305 N -0.70 3.06 0.04 1.98 -0.14 -0.18 -4.95 119.74 118.85 3ita s LYS 305 Ca 0.53 -0.83 0.00 0.00 -1.36 0.00 0.00 55.97 54.31 3ita s LYS 305 Cb -0.36 -2.49 -0.04 0.00 -1.68 0.00 0.00 37.83 33.26 3ita s LYS 305 CO 0.42 -0.02 0.13 0.00 -0.76 0.00 0.00 175.35 175.12 3ita s ALA 306 N 0.85 3.76 0.27 5.17 0.00 -1.26 -0.62 121.76 129.93 3ita s ALA 306 Ca -0.06 -0.89 -0.13 0.00 0.00 0.00 0.00 51.96 50.89 3ita s ALA 306 Cb -0.15 -1.66 0.00 0.00 0.00 0.00 0.00 23.12 21.31 3ita s ALA 306 CO -0.02 0.76 0.52 -1.54 0.00 0.00 0.00 175.76 175.48 3ita s SER 307 N -2.18 -0.03 0.05 0.00 1.04 -0.17 -4.98 113.70 107.43 3ita s SER 307 Ca 0.29 -0.95 -0.10 0.00 0.48 0.00 0.00 55.95 55.67 3ita s SER 307 Cb -0.12 0.62 0.01 0.00 0.10 0.00 0.00 66.02 66.63 3ita s SER 307 CO 0.21 -1.21 0.23 -0.72 0.98 0.00 0.00 173.24 172.73 3ita s TYR 308 N -3.84 0.03 0.25 5.02 1.13 -1.26 -0.20 117.35 118.47 3ita s TYR 308 Ca 0.21 -0.28 0.11 0.00 -1.41 0.00 0.00 57.07 55.71 3ita s TYR 308 Cb -0.01 0.00 -0.05 0.00 -1.10 0.00 0.00 41.96 40.80 3ita s TYR 308 CO 0.10 -0.48 -0.21 0.95 -2.51 0.00 0.00 175.55 173.40 3ita s THR 309 N -2.88 2.36 -0.11 -3.49 -4.23 -0.43 -4.97 115.64 101.89 3ita s THR 309 Ca -0.03 -2.27 -0.00 0.00 -1.18 0.00 0.00 61.69 58.21 3ita s THR 309 Cb 0.00 -2.21 -0.02 0.00 1.34 0.00 0.00 72.50 71.61 3ita s THR 309 CO -0.06 -0.33 -0.08 -0.76 -0.54 0.00 0.00 174.62 172.85 3ita s LEU 310 N -3.23 3.03 0.20 4.79 1.43 -1.26 -1.11 118.68 122.53 3ita s LEU 310 Ca 0.26 -0.15 0.26 0.00 -1.03 0.00 0.00 54.13 53.47 3ita s LEU 310 Cb -0.05 -1.68 0.83 0.00 0.03 0.00 0.00 46.19 45.32 3ita s LEU 310 CO 0.13 0.25 1.78 0.35 0.23 0.00 0.00 176.35 179.09 3ita n THR 311 N 2.96 0.57 -4.37 5.49 -2.24 -0.41 -4.69 114.28 111.59 3ita n THR 311 Ca -0.18 -0.26 -0.19 0.00 -2.27 0.00 0.00 64.05 61.15 3ita n THR 311 Cb 0.53 -0.59 -0.10 0.00 -2.10 0.00 0.00 70.33 68.06 3ita n THR 311 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3ita s GLU 312 N -3.10 1.41 0.22 -0.78 0.41 -1.26 -5.05 118.70 110.54 3ita s GLU 312 Ca 0.11 -1.69 0.26 0.00 -0.41 0.00 0.00 54.97 53.24 3ita s GLU 312 Cb 0.13 -0.98 0.69 0.00 -1.78 0.00 0.00 34.13 32.19 3ita s GLU 312 CO 0.59 0.04 1.69 -1.00 -0.49 0.00 0.00 175.26 176.10 3ita h PRO 313 N 2.43 0.00 -3.11 0.39 0.13 -1.98 -3.45 132.00 126.41 3ita h PRO 313 Ca -0.39 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.61 3ita h PRO 313 Cb 1.22 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.14 3ita h PRO 313 CO 0.65 0.00 -0.33 -0.65 -0.23 0.00 0.00 178.00 177.44 3ita s GLN 314 N -3.12 0.57 -0.12 0.86 -1.52 -1.26 -5.15 119.66 109.92 3ita s GLN 314 Ca 0.10 -0.09 -0.08 0.00 -1.95 0.00 0.00 55.36 53.33 3ita s GLN 314 Cb 0.12 0.25 -0.04 0.00 -0.22 0.00 0.00 33.01 33.12 3ita s GLN 314 CO 0.62 -0.14 0.17 -0.51 -0.25 0.00 0.00 175.29 175.18 3ita s LEU 315 N -1.01 4.38 0.01 2.90 1.43 -1.26 -5.05 118.68 120.08 3ita s LEU 315 Ca -0.11 0.50 0.05 0.00 -1.03 0.00 0.00 54.13 53.54 3ita s LEU 315 Cb -0.05 -2.13 -0.01 0.00 0.03 0.00 0.00 46.19 44.02 3ita s LEU 315 CO 0.03 0.38 -0.14 0.42 0.23 0.00 0.00 176.35 177.26 3ita s THR 316 N -0.89 1.12 0.66 5.49 -4.23 -1.26 -1.21 115.64 115.32 3ita s THR 316 Ca 0.15 -0.75 -0.15 0.00 -1.18 0.00 0.00 61.69 59.76 3ita s THR 316 Cb -0.12 -0.96 0.00 0.00 1.34 0.00 0.00 72.50 72.76 3ita s THR 316 CO 0.04 0.21 1.13 0.00 -0.54 0.00 0.00 174.62 175.46 3ita s ALA 317 N -0.51 2.43 0.50 3.99 0.00 -0.77 -4.53 121.76 122.87 3ita s ALA 317 Ca 0.04 0.62 -0.08 0.00 0.00 0.00 0.00 51.96 52.54 3ita s ALA 317 Cb -0.06 -3.34 -0.05 0.00 0.00 0.00 0.00 23.12 19.67 3ita s ALA 317 CO 0.00 -1.33 0.85 -1.25 0.00 0.00 0.00 175.76 174.03 3ita s PRO 318 N -4.01 3.63 0.02 0.00 0.04 -1.26 -4.83 135.00 128.59 3ita s PRO 318 Ca 0.68 0.43 0.07 0.00 0.04 0.00 0.00 61.00 62.22 3ita s PRO 318 Cb -0.22 -2.29 -0.02 0.00 0.04 0.00 0.00 34.50 32.01 3ita s PRO 318 CO 0.41 -0.26 -0.20 -0.51 0.04 0.00 0.00 177.00 176.48 3ita s LEU 319 N -4.63 2.12 -0.10 -3.56 1.43 0.79 -4.98 118.68 109.75 3ita s LEU 319 Ca 0.51 -0.46 -0.00 0.00 -1.03 0.00 0.00 54.13 53.14 3ita s LEU 319 Cb -0.10 -0.97 -0.03 0.00 0.03 0.00 0.00 46.19 45.12 3ita s LEU 319 CO 0.44 0.18 -0.07 -0.75 0.23 0.00 0.00 176.35 176.37 3ita s LYS 320 N -0.93 3.07 -0.17 1.70 2.20 -1.26 -1.08 119.74 123.27 3ita s LYS 320 Ca 0.07 -0.57 -0.40 0.00 -0.36 0.00 0.00 55.97 54.71 3ita s LYS 320 Cb -0.08 -2.67 -0.17 0.00 -1.51 0.00 0.00 37.83 33.40 3ita s LYS 320 CO 0.01 0.49 1.52 1.17 -0.36 0.00 0.00 175.35 178.18 3ita n LYS 321 N 2.75 0.84 -0.10 4.03 4.81 -1.26 -1.16 118.16 128.08 3ita n LYS 321 Ca -0.18 0.31 0.00 0.00 -0.87 0.00 0.00 58.31 57.57 3ita n LYS 321 Cb 0.53 -1.93 0.00 0.00 0.02 0.00 0.00 35.03 33.65 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 3.36 0.66 3.72 3.14 0.00 0.22 -4.94 105.19 111.35 3ita n GLY 322 Ca 0.24 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.84 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 2.73 -3.06 1.61 7.27 -0.31 -4.57 117.38 119.06 3ita n GLN 323 Ca 0.00 0.98 -0.40 0.00 0.07 0.00 0.00 57.00 57.66 3ita n GLN 323 Cb 0.00 -2.82 -0.05 0.00 2.41 0.00 0.00 30.24 29.79 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 0.97 5.04 0.00 1.69 1.01 -1.26 -0.29 120.40 127.56 3ita s VAL 324 Ca 0.74 1.39 0.00 0.00 0.00 0.00 0.00 61.98 64.10 3ita s VAL 324 Cb -0.51 -4.02 0.00 0.00 0.00 0.00 0.00 36.38 31.85 3ita s VAL 324 CO 0.35 0.22 0.59 1.33 0.00 0.00 0.00 175.10 177.59 3ita n VAL 325 N 3.98 0.26 -3.34 2.92 0.24 -0.04 -4.98 118.33 117.36 3ita n VAL 325 Ca -0.01 -0.28 0.00 0.00 -2.04 0.00 0.00 64.34 62.01 3ita n VAL 325 Cb 0.51 0.95 0.00 0.00 -1.47 0.00 0.00 33.84 33.83 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 -0.13 -0.93 2.94 7.63 0.00 -1.18 -1.29 105.19 112.23 3ita n GLY 326 Ca 0.00 -0.86 -0.11 0.00 0.00 0.00 0.00 46.02 45.05 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 -3.00 0.10 -0.14 2.61 -4.23 -0.27 -1.52 115.64 109.19 3ita s THR 327 Ca 0.00 -0.49 -0.09 0.00 -1.18 0.00 0.00 61.69 59.93 3ita s THR 327 Cb 0.00 -0.17 -0.05 0.00 1.34 0.00 0.00 72.50 73.62 3ita s THR 327 CO 0.00 -0.25 0.17 -0.63 -0.54 0.00 0.00 174.62 173.37 3ita s ILE 328 N -0.76 5.42 -0.10 2.99 1.01 0.32 -1.31 121.20 128.77 3ita s ILE 328 Ca -0.08 0.28 0.01 0.00 0.00 0.00 0.00 60.65 60.86 3ita s ILE 328 Cb -0.05 -3.47 -0.02 0.00 0.01 0.00 0.00 42.46 38.93 3ita s ILE 328 CO -0.00 0.53 -0.14 -0.62 0.00 0.00 0.00 174.94 174.71 3ita s ASP 329 N -0.42 4.02 -0.16 3.58 3.68 0.72 -0.68 116.67 127.41 3ita s ASP 329 Ca 0.13 -0.28 -0.02 0.00 2.13 0.00 0.00 52.55 54.51 3ita s ASP 329 Cb -0.12 -1.33 -0.02 0.00 -1.45 0.00 0.00 42.92 40.01 3ita s ASP 329 CO 0.03 0.23 -0.07 -0.36 0.13 0.00 0.00 175.17 175.13 3ita s PHE 330 N -0.06 2.93 0.11 -5.34 0.40 -0.31 -1.00 117.98 114.70 3ita s PHE 330 Ca -0.03 -0.59 0.10 0.00 -0.60 0.00 0.00 56.93 55.81 3ita s PHE 330 Cb -0.14 -1.96 -0.04 0.00 0.51 0.00 0.00 43.02 41.40 3ita s PHE 330 CO 0.04 -0.24 -0.26 -0.65 0.70 0.00 0.00 175.22 174.81 3ita s GLN 331 N 0.66 1.55 -0.07 0.44 -0.21 0.21 -1.00 119.66 121.24 3ita s GLN 331 Ca -0.04 -1.27 -0.00 0.00 0.02 0.00 0.00 55.36 54.07 3ita s GLN 331 Cb -0.15 -1.95 0.02 0.00 1.00 0.00 0.00 33.01 31.94 3ita s GLN 331 CO 0.02 0.47 -0.04 -1.17 -2.12 0.00 0.00 175.29 172.45 3ita s LEU 332 N -1.87 1.06 -1.50 2.90 2.96 0.50 -1.02 118.68 121.71 3ita s LEU 332 Ca 0.14 -0.17 -0.02 0.00 -0.22 0.00 0.00 54.13 53.86 3ita s LEU 332 Cb -0.10 -0.58 0.02 0.00 0.50 0.00 0.00 46.19 46.03 3ita s LEU 332 CO 0.06 -0.11 0.27 0.59 -1.32 0.00 0.00 176.35 175.83 3ita n ASN 333 N 4.63 0.01 0.00 3.68 3.02 -1.26 -0.83 115.26 124.52 3ita n ASN 333 Ca -0.15 -1.13 0.00 0.00 -0.03 0.00 0.00 54.58 53.26 3ita n ASN 333 Cb 0.50 -2.36 0.00 0.00 -0.61 0.00 0.00 39.78 37.31 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 -2.18 0.59 3.60 7.41 0.00 -1.26 -5.02 105.19 108.34 3ita n GLY 334 Ca -0.28 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.39 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 -0.41 3.83 -0.25 1.61 2.20 -0.01 -5.06 119.74 121.65 3ita s LYS 335 Ca 0.00 -0.40 -0.29 0.00 -0.36 0.00 0.00 55.97 54.93 3ita s LYS 335 Cb 0.00 -3.10 -0.02 0.00 -1.51 0.00 0.00 37.83 33.20 3ita s LYS 335 CO 0.00 0.30 1.67 0.45 -0.36 0.00 0.00 175.35 177.41 3ita s SER 336 N 0.27 6.23 -0.03 1.43 0.15 -1.26 -0.37 113.70 120.11 3ita s SER 336 Ca 0.02 1.53 0.21 0.00 0.70 0.00 0.00 55.95 58.40 3ita s SER 336 Cb -0.13 -2.53 -0.26 0.00 -1.71 0.00 0.00 66.02 61.39 3ita s SER 336 CO 0.01 -1.40 0.49 2.30 1.20 0.00 0.00 173.24 175.84 3ita n ILE 337 N 6.72 0.53 -3.69 6.45 -0.00 -0.17 -4.98 119.36 124.22 3ita n ILE 337 Ca 0.20 -0.61 -0.13 0.00 -0.00 0.00 0.00 62.75 62.21 3ita n ILE 337 Cb 0.46 -0.23 -0.07 0.00 -0.00 0.00 0.00 39.64 39.80 3ita n ILE 337 CO 0.00 0.00 0.00 -1.61 -0.00 0.00 0.00 176.55 174.94 3ita s GLU 338 N -3.20 0.87 -0.01 6.28 2.02 -1.21 -4.98 118.70 118.47 3ita s GLU 338 Ca -0.07 -0.37 0.02 0.00 0.02 0.00 0.00 54.97 54.57 3ita s GLU 338 Cb 0.11 0.39 0.00 0.00 0.10 0.00 0.00 34.13 34.73 3ita s GLU 338 CO 0.87 -0.29 -0.05 -0.65 0.02 0.00 0.00 175.26 175.16 3ita s GLN 339 N -2.35 0.55 0.12 1.61 -0.21 -1.26 -1.16 119.66 116.96 3ita s GLN 339 Ca -0.06 -0.17 0.05 0.00 0.02 0.00 0.00 55.36 55.20 3ita s GLN 339 Cb -0.01 -0.55 -0.04 0.00 1.00 0.00 0.00 33.01 33.41 3ita s GLN 339 CO -0.02 0.07 -0.12 1.03 -2.12 0.00 0.00 175.29 174.13 3ita s ARG 340 N 0.17 0.99 0.36 2.91 1.81 0.14 -4.92 118.95 120.41 3ita s ARG 340 Ca -0.02 -1.27 -0.29 0.00 -1.72 0.00 0.00 55.73 52.44 3ita s ARG 340 Cb -0.06 -0.76 -0.11 0.00 -0.45 0.00 0.00 34.95 33.57 3ita s ARG 340 CO -0.00 0.13 1.53 -2.14 -0.68 0.00 0.00 175.30 174.13 3ita s PRO 341 N -2.93 4.10 -0.26 3.54 0.02 -1.26 0.12 135.00 138.33 3ita s PRO 341 Ca 0.10 2.59 -0.24 0.00 0.02 0.00 0.00 61.00 63.47 3ita s PRO 341 Cb -0.03 -2.98 -0.00 0.00 0.02 0.00 0.00 34.50 31.51 3ita s PRO 341 CO 0.02 -0.58 0.81 -1.17 -0.33 0.00 0.00 177.00 175.76 3ita s LEU 342 N -1.66 4.08 0.25 -5.54 2.96 -0.57 -4.57 118.68 113.62 3ita s LEU 342 Ca 0.56 0.94 0.11 0.00 -0.22 0.00 0.00 54.13 55.52 3ita s LEU 342 Cb -0.47 -3.15 -0.05 0.00 0.50 0.00 0.00 46.19 43.02 3ita s LEU 342 CO 0.59 -0.53 -0.18 0.27 -1.32 0.00 0.00 176.35 175.18 3ita s ILE 343 N 2.86 2.23 0.07 6.68 -4.36 0.22 -0.86 121.20 128.04 3ita s ILE 343 Ca 0.34 -2.33 -0.30 0.00 -0.26 0.00 0.00 60.65 58.10 3ita s ILE 343 Cb -0.15 -2.20 -0.05 0.00 1.25 0.00 0.00 42.46 41.30 3ita s ILE 343 CO 0.09 -0.45 1.11 -0.69 0.24 0.00 0.00 174.94 175.24 3ita s VAL 344 N -2.62 4.23 -1.94 8.37 1.01 0.60 -1.37 120.40 128.69 3ita s VAL 344 Ca 0.27 1.67 0.23 0.00 0.00 0.00 0.00 61.98 64.15 3ita s VAL 344 Cb -0.04 -4.07 0.04 0.00 0.00 0.00 0.00 36.38 32.31 3ita s VAL 344 CO 0.12 0.17 1.18 0.23 0.00 0.00 0.00 175.10 176.80 3ita n MET 345 N 3.56 1.08 -3.53 2.72 0.00 -0.11 0.73 117.12 121.58 3ita n MET 345 Ca 0.07 -0.86 -0.13 0.00 0.00 0.00 0.00 57.70 56.78 3ita n MET 345 Cb 0.48 -1.48 -0.04 0.00 0.00 0.00 0.00 33.22 32.17 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 -2.51 1.13 0.28 0.03 -1.05 -1.26 -4.91 118.70 110.42 3ita s GLU 346 Ca 0.19 -0.37 -0.30 0.00 -0.15 0.00 0.00 54.97 54.35 3ita s GLU 346 Cb 0.18 0.51 -0.11 0.00 -0.44 0.00 0.00 34.13 34.27 3ita s GLU 346 CO 0.58 -0.44 1.58 0.54 0.95 0.00 0.00 175.26 178.46 3ita s ASN 347 N -2.33 6.41 -0.15 0.83 4.22 -1.26 -4.06 114.94 118.59 3ita s ASN 347 Ca -0.02 2.91 -0.01 0.00 -2.14 0.00 0.00 52.86 53.60 3ita s ASN 347 Cb -0.00 -2.63 0.04 0.00 1.28 0.00 0.00 41.25 39.93 3ita s ASN 347 CO -0.07 -0.89 -0.05 -0.69 -2.04 0.00 0.00 177.10 173.37 3ita s VAL 348 N 0.05 1.03 0.48 3.54 1.01 -0.24 -4.97 120.40 121.29 3ita s VAL 348 Ca 0.63 -0.53 -0.12 0.00 0.00 0.00 0.00 61.98 61.96 3ita s VAL 348 Cb -0.47 -1.19 -0.06 0.00 0.00 0.00 0.00 36.38 34.65 3ita s VAL 348 CO 0.47 0.16 0.88 -1.61 0.00 0.00 0.00 175.10 175.00 3ita s GLU 349 N 1.67 3.80 0.11 2.72 8.01 -1.26 -0.15 118.70 133.61 3ita s GLU 349 Ca 0.02 0.66 -0.36 0.00 0.01 0.00 0.00 54.97 55.30 3ita s GLU 349 Cb -0.15 -2.26 -0.16 0.00 -4.31 0.00 0.00 34.13 27.25 3ita s GLU 349 CO -0.08 -0.20 1.31 -1.91 0.01 0.00 0.00 175.26 174.40 3ita n GLU 350 N -1.65 1.23 -1.56 1.61 4.07 -1.26 -0.67 120.64 122.40 3ita n GLU 350 Ca 0.04 0.44 -0.43 0.00 -0.06 0.00 0.00 57.16 57.16 3ita n GLU 350 Cb 0.54 -2.06 0.00 0.00 -0.06 0.00 0.00 31.44 29.86 3ita n GLU 350 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3ita n GLY 351 N 2.45 -0.55 0.00 8.31 0.00 -0.46 -4.36 105.19 110.58 3ita n GLY 351 Ca 0.17 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.37 3ita n GLY 351 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93