#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tuy s LYS 2 N 0.00 0.20 -0.04 2.12 1.02 -1.26 -1.24 119.74 120.54 1tuy s LYS 2 Ca 0.00 0.23 0.01 0.00 0.02 0.00 0.00 55.97 56.23 1tuy s LYS 2 Cb 0.00 -0.62 -0.03 0.00 -0.52 0.00 0.00 37.83 36.66 1tuy s LYS 2 CO 0.00 -0.27 -0.05 0.08 -0.92 0.00 0.00 175.35 174.18 1tuy s VAL 3 N 1.81 3.80 -0.30 3.17 1.01 -0.51 -2.22 120.40 127.16 1tuy s VAL 3 Ca 0.01 -0.58 -0.03 0.00 0.00 0.00 0.00 61.98 61.39 1tuy s VAL 3 Cb -0.12 -2.61 0.04 0.00 0.00 0.00 0.00 36.38 33.69 1tuy s VAL 3 CO -0.03 0.50 0.01 -0.22 0.00 0.00 0.00 175.10 175.36 1tuy s LEU 4 N -1.12 3.88 -0.34 3.92 2.96 -0.33 -0.53 118.68 127.10 1tuy s LEU 4 Ca 0.15 -1.17 -0.20 0.00 -0.22 0.00 0.00 54.13 52.69 1tuy s LEU 4 Cb -0.11 -1.74 -0.00 0.00 0.50 0.00 0.00 46.19 44.84 1tuy s LEU 4 CO 0.05 -0.25 0.61 -0.69 -1.32 0.00 0.00 176.35 174.75 1tuy s VAL 5 N 1.30 4.93 0.29 1.68 1.01 0.68 -1.26 120.40 129.02 1tuy s VAL 5 Ca -0.04 0.60 0.00 0.00 0.00 0.00 0.00 61.98 62.55 1tuy s VAL 5 Cb -0.19 -4.03 -0.04 0.00 0.00 0.00 0.00 36.38 32.12 1tuy s VAL 5 CO -0.01 -0.25 0.48 -0.63 0.00 0.00 0.00 175.10 174.69 1tuy s ILE 6 N 2.62 5.15 -0.39 2.22 -1.09 0.23 -1.72 121.20 128.22 1tuy s ILE 6 Ca 0.23 -0.48 0.05 0.00 -2.23 0.00 0.00 60.65 58.22 1tuy s ILE 6 Cb -0.15 -3.82 0.16 0.00 -1.58 0.00 0.00 42.46 37.08 1tuy s ILE 6 CO 0.14 -0.40 0.46 0.21 -1.23 0.00 0.00 174.94 174.11 1tuy s ASN 7 N -3.72 0.34 0.79 3.58 3.84 -0.74 -4.41 114.94 114.62 1tuy s ASN 7 Ca 0.39 -1.41 -0.14 0.00 0.21 0.00 0.00 52.86 51.91 1tuy s ASN 7 Cb -0.10 0.97 0.06 0.00 -0.55 0.00 0.00 41.25 41.63 1tuy s ASN 7 CO 0.33 -0.22 1.16 0.00 -2.79 0.00 0.00 177.10 175.57 1tuy n ALA 8 N 4.21 -0.02 -2.77 1.71 0.00 -1.26 -2.77 120.51 119.61 1tuy n ALA 8 Ca 0.12 -0.29 -0.11 0.00 0.00 0.00 0.00 53.44 53.15 1tuy n ALA 8 Cb 0.49 -2.22 -0.07 0.00 0.00 0.00 0.00 19.45 17.64 1tuy n ALA 8 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1tuy s GLY 9 N -1.98 1.08 0.15 0.00 0.00 -1.02 -4.92 107.32 100.63 1tuy s GLY 9 Ca 0.74 -1.31 -0.25 0.00 0.00 0.00 0.00 44.72 43.89 1tuy s GLY 9 CO 0.50 -0.98 1.60 1.76 0.00 0.00 0.00 173.10 175.98 1tuy h SER 10 N 2.35 -1.10 -0.22 1.64 0.02 -1.99 -3.31 113.55 110.94 1tuy h SER 10 Ca -0.30 0.17 -0.21 0.00 -0.84 0.00 0.00 61.79 60.62 1tuy h SER 10 Cb 1.25 0.49 -0.36 0.00 0.14 0.00 0.00 62.40 63.91 1tuy h SER 10 CO 0.42 -0.35 -0.98 -1.54 -1.14 0.00 0.00 176.83 173.24 1tuy n SER 11 N -5.41 1.00 -3.46 3.07 3.41 -1.26 -4.94 113.62 106.02 1tuy n SER 11 Ca -0.01 -2.03 -0.17 0.00 -0.26 0.00 0.00 58.87 56.40 1tuy n SER 11 Cb 0.34 -0.29 -0.07 0.00 -0.26 0.00 0.00 64.21 63.93 1tuy n SER 11 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1tuy s SER 12 N -2.79 1.19 -0.31 4.04 1.04 -1.25 -0.36 113.70 115.26 1tuy s SER 12 Ca 0.27 -1.60 0.01 0.00 0.48 0.00 0.00 55.95 55.10 1tuy s SER 12 Cb 0.34 0.56 0.19 0.00 0.10 0.00 0.00 66.02 67.21 1tuy s SER 12 CO -0.09 -1.10 0.74 -0.22 0.98 0.00 0.00 173.24 173.54 1tuy s LEU 13 N -3.29 -1.24 0.26 2.42 0.20 -0.71 -2.42 118.68 113.89 1tuy s LEU 13 Ca 0.37 -0.01 -0.14 0.00 0.69 0.00 0.00 54.13 55.04 1tuy s LEU 13 Cb 0.02 1.73 -0.08 0.00 -0.43 0.00 0.00 46.19 47.44 1tuy s LEU 13 CO 0.23 -0.21 0.65 -0.75 -0.29 0.00 0.00 176.35 175.98 1tuy s LYS 14 N 2.66 3.97 0.12 1.98 2.20 -1.12 -0.41 119.74 129.14 1tuy s LYS 14 Ca 0.16 0.56 -0.19 0.00 -0.36 0.00 0.00 55.97 56.13 1tuy s LYS 14 Cb -0.06 -2.62 0.05 0.00 -1.51 0.00 0.00 37.83 33.68 1tuy s LYS 14 CO -0.22 0.28 0.48 1.52 -0.36 0.00 0.00 175.35 177.05 1tuy s TYR 15 N -1.80 -0.34 -0.10 4.03 1.13 -0.94 -1.78 117.35 117.54 1tuy s TYR 15 Ca 0.48 0.13 -0.09 0.00 -1.41 0.00 0.00 57.07 56.19 1tuy s TYR 15 Cb -0.12 0.36 0.03 0.00 -1.10 0.00 0.00 41.96 41.13 1tuy s TYR 15 CO 0.19 -0.73 0.26 -0.65 -2.51 0.00 0.00 175.55 172.11 1tuy s GLN 16 N -3.51 0.29 -0.32 -3.49 -0.21 -0.70 -1.92 119.66 109.81 1tuy s GLN 16 Ca 0.01 0.39 -0.04 0.00 0.02 0.00 0.00 55.36 55.74 1tuy s GLN 16 Cb 0.01 0.11 0.05 0.00 1.00 0.00 0.00 33.01 34.17 1tuy s GLN 16 CO -0.10 -0.05 0.04 -1.17 -2.12 0.00 0.00 175.29 171.88 1tuy s LEU 17 N 0.30 4.07 -0.16 2.90 2.96 -0.90 -0.23 118.68 127.61 1tuy s LEU 17 Ca -0.01 -1.23 -0.04 0.00 -0.22 0.00 0.00 54.13 52.63 1tuy s LEU 17 Cb -0.03 -1.77 -0.03 0.00 0.50 0.00 0.00 46.19 44.86 1tuy s LEU 17 CO -0.01 -0.29 -0.04 -0.63 -1.32 0.00 0.00 176.35 174.07 1tuy s ILE 18 N 1.31 3.84 -0.30 6.68 1.01 0.31 -1.15 121.20 132.90 1tuy s ILE 18 Ca -0.04 -0.37 -0.26 0.00 0.00 0.00 0.00 60.65 59.98 1tuy s ILE 18 Cb -0.20 -2.69 0.01 0.00 0.01 0.00 0.00 42.46 39.59 1tuy s ILE 18 CO 0.00 0.48 0.90 -0.62 0.00 0.00 0.00 174.94 175.71 1tuy s ASP 19 N 0.50 6.79 0.00 3.58 -1.08 -0.59 -1.42 116.67 124.45 1tuy s ASP 19 Ca -0.03 0.86 0.18 0.00 -0.52 0.00 0.00 52.55 53.05 1tuy s ASP 19 Cb -0.14 -2.46 1.10 0.00 -1.46 0.00 0.00 42.92 39.96 1tuy s ASP 19 CO 0.03 -0.70 1.68 0.23 0.52 0.00 0.00 175.17 176.92 1tuy n MET 20 N 6.42 0.95 0.10 4.34 2.81 -0.38 0.18 117.12 131.54 1tuy n MET 20 Ca 0.07 0.00 0.01 0.00 -1.81 0.00 0.00 57.70 55.98 1tuy n MET 20 Cb 0.48 -1.30 -0.01 0.00 -0.71 0.00 0.00 33.22 31.67 1tuy n MET 20 CO 0.00 0.00 0.00 1.15 1.51 0.00 0.00 175.97 178.63 1tuy h THR 21 N 0.00 0.77 0.00 2.03 2.02 -1.92 -3.37 112.91 112.44 1tuy h THR 21 Ca 0.00 -2.18 0.00 0.00 0.77 0.00 0.00 66.41 65.00 1tuy h THR 21 Cb 0.00 2.30 0.00 0.00 -1.74 0.00 0.00 68.15 68.71 1tuy h THR 21 CO 0.00 0.44 0.00 -0.46 0.37 0.00 0.00 175.52 175.87 1tuy n ASN 22 N -3.12 0.09 -3.74 4.18 2.04 -1.19 -5.02 115.26 108.51 1tuy n ASN 22 Ca -0.02 -0.95 -0.24 0.00 -0.44 0.00 0.00 54.58 52.93 1tuy n ASN 22 Cb 0.77 0.01 0.04 0.00 -2.53 0.00 0.00 39.78 38.07 1tuy n ASN 22 CO 0.00 0.00 0.00 -0.62 -0.44 0.00 0.00 177.26 176.20 1tuy n GLU 23 N -0.01 -5.72 -4.01 -3.83 1.02 0.13 -4.96 120.64 103.26 1tuy n GLU 23 Ca 0.00 0.66 -0.35 0.00 -0.02 0.00 0.00 57.16 57.46 1tuy n GLU 23 Cb 0.21 -5.45 -0.09 0.00 -0.02 0.00 0.00 31.44 26.09 1tuy n GLU 23 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1tuy s SER 24 N -3.85 5.72 -0.80 1.62 0.15 -0.98 -4.90 113.70 110.65 1tuy s SER 24 Ca 0.31 0.14 -0.26 0.00 0.70 0.00 0.00 55.95 56.85 1tuy s SER 24 Cb -0.15 -1.94 0.04 0.00 -1.71 0.00 0.00 66.02 62.26 1tuy s SER 24 CO 0.80 0.22 1.29 0.00 1.20 0.00 0.00 173.24 176.75 1tuy s ALA 25 N 0.09 2.78 0.20 5.45 0.00 -1.26 -1.55 121.76 127.46 1tuy s ALA 25 Ca 0.06 -1.61 -0.09 0.00 0.00 0.00 0.00 51.96 50.31 1tuy s ALA 25 Cb -0.12 -4.29 0.12 0.00 0.00 0.00 0.00 23.12 18.84 1tuy s ALA 25 CO 0.01 -3.32 1.75 -0.07 0.00 0.00 0.00 175.76 174.12 1tuy h LEU 26 N 12.83 1.03 -7.60 0.00 3.38 -1.51 -3.40 115.31 120.03 1tuy h LEU 26 Ca -0.17 -0.19 -0.11 0.00 0.09 0.00 0.00 57.88 57.50 1tuy h LEU 26 Cb 1.04 -0.27 -0.19 0.00 0.09 0.00 0.00 40.66 41.34 1tuy h LEU 26 CO 1.30 0.94 -0.31 0.00 0.09 0.00 0.00 178.44 180.46 1tuy s ALA 27 N -5.47 -0.62 -0.01 1.53 0.00 -1.20 -1.48 121.76 114.51 1tuy s ALA 27 Ca -0.12 0.05 -0.00 0.00 0.00 0.00 0.00 51.96 51.88 1tuy s ALA 27 Cb 0.15 0.20 0.01 0.00 0.00 0.00 0.00 23.12 23.48 1tuy s ALA 27 CO 0.83 -0.32 0.02 0.08 0.00 0.00 0.00 175.76 176.36 1tuy s VAL 28 N -1.98 -0.03 0.35 0.00 1.01 -0.73 -2.11 120.40 116.91 1tuy s VAL 28 Ca -0.09 0.10 -0.01 0.00 0.00 0.00 0.00 61.98 61.97 1tuy s VAL 28 Cb -0.03 -0.05 0.00 0.00 0.00 0.00 0.00 36.38 36.30 1tuy s VAL 28 CO -0.00 0.04 0.46 -0.83 0.00 0.00 0.00 175.10 174.77 1tuy s GLY 29 N 0.49 1.59 -0.30 4.51 0.00 -0.81 0.69 107.32 113.49 1tuy s GLY 29 Ca -0.04 -1.58 -0.13 0.00 0.00 0.00 0.00 44.72 42.97 1tuy s GLY 29 CO -0.01 -1.05 0.76 -2.27 0.00 0.00 0.00 173.10 170.53 1tuy s LEU 30 N -3.25 -0.94 0.12 0.66 2.96 -0.22 -2.22 118.68 115.79 1tuy s LEU 30 Ca 0.32 1.34 -0.06 0.00 -0.22 0.00 0.00 54.13 55.51 1tuy s LEU 30 Cb -0.00 2.14 -0.06 0.00 0.50 0.00 0.00 46.19 48.77 1tuy s LEU 30 CO 0.21 -0.19 0.37 0.00 -1.32 0.00 0.00 176.35 175.42 1tuy s GLU 32 N -2.46 0.91 -1.42 0.00 2.02 -0.57 -1.74 118.70 115.44 1tuy s GLU 32 Ca 0.39 -1.43 -0.05 0.00 0.02 0.00 0.00 54.97 53.90 1tuy s GLU 32 Cb -0.12 0.21 0.03 0.00 0.10 0.00 0.00 34.13 34.35 1tuy s GLU 32 CO 0.23 -0.24 0.70 0.54 0.02 0.00 0.00 175.26 176.50 1tuy n ARG 33 N -0.08 -4.49 -2.43 1.61 5.12 -0.53 -3.19 116.66 112.66 1tuy n ARG 33 Ca -0.06 0.54 -0.41 0.00 -1.93 0.00 0.00 57.85 55.99 1tuy n ARG 33 Cb 0.63 -5.07 -0.04 0.00 -1.16 0.00 0.00 32.46 26.83 1tuy n ARG 33 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 1tuy s ILE 34 N -3.64 3.57 0.00 0.55 -1.09 0.52 -2.87 121.20 118.24 1tuy s ILE 34 Ca 0.21 1.42 0.00 0.00 -2.23 0.00 0.00 60.65 60.05 1tuy s ILE 34 Cb -0.11 -3.91 0.00 0.00 -1.58 0.00 0.00 42.46 36.87 1tuy s ILE 34 CO 0.85 0.27 0.00 0.61 -1.23 0.00 0.00 174.94 175.44 1tuy n GLY 35 N 1.76 2.12 2.35 6.18 0.00 0.37 -4.70 105.19 113.27 1tuy n GLY 35 Ca 0.02 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.88 1tuy n GLY 35 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1tuy n ILE 36 N 0.00 0.00 -2.99 -0.61 2.08 -1.14 -4.86 119.36 111.84 1tuy n ILE 36 Ca 0.00 -0.77 -0.17 0.00 0.56 0.00 0.00 62.75 62.36 1tuy n ILE 36 Cb 0.00 -1.39 0.01 0.00 -0.75 0.00 0.00 39.64 37.51 1tuy n ILE 36 CO 0.00 0.00 0.00 1.51 0.56 0.00 0.00 176.55 178.62 1tuy s ASP 37 N -3.71 5.63 -1.15 4.38 1.47 -1.26 -4.49 116.67 117.55 1tuy s ASP 37 Ca 0.43 -0.41 -0.04 0.00 1.18 0.00 0.00 52.55 53.71 1tuy s ASP 37 Cb -0.02 -0.65 0.00 0.00 -0.34 0.00 0.00 42.92 41.92 1tuy s ASP 37 CO 0.29 -0.79 0.53 -3.20 0.68 0.00 0.00 175.17 172.68 1tuy n ASN 38 N -1.88 -5.05 -4.77 2.11 5.15 -1.26 -4.88 115.26 104.69 1tuy n ASN 38 Ca 0.08 -0.25 -0.39 0.00 -0.60 0.00 0.00 54.58 53.43 1tuy n ASN 38 Cb 0.59 -3.86 -0.00 0.00 -0.53 0.00 0.00 39.78 35.98 1tuy n ASN 38 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 1tuy s SER 39 N -2.86 6.23 -0.01 1.20 0.01 -1.26 -4.84 113.70 112.18 1tuy s SER 39 Ca 0.26 2.52 -0.12 0.00 1.31 0.00 0.00 55.95 59.92 1tuy s SER 39 Cb -0.12 -2.62 0.02 0.00 0.21 0.00 0.00 66.02 63.51 1tuy s SER 39 CO 0.32 -0.89 0.24 -0.51 0.41 0.00 0.00 173.24 172.82 1tuy s ILE 40 N -1.36 0.06 -0.13 1.44 2.07 -1.19 -3.26 121.20 118.82 1tuy s ILE 40 Ca 0.60 -0.53 -0.00 0.00 -1.41 0.00 0.00 60.65 59.31 1tuy s ILE 40 Cb -0.34 -0.53 0.03 0.00 0.13 0.00 0.00 42.46 41.74 1tuy s ILE 40 CO 0.43 -0.29 -0.10 -0.51 -1.91 0.00 0.00 174.94 172.57 1tuy s ILE 41 N -1.25 1.24 -0.13 2.00 2.07 -0.57 -1.51 121.20 123.04 1tuy s ILE 41 Ca -0.13 -0.47 -0.02 0.00 -1.41 0.00 0.00 60.65 58.62 1tuy s ILE 41 Cb -0.06 -1.24 -0.03 0.00 0.13 0.00 0.00 42.46 41.27 1tuy s ILE 41 CO 0.03 0.36 -0.06 -0.89 -1.91 0.00 0.00 174.94 172.47 1tuy s THR 42 N 1.62 3.72 0.08 4.00 2.01 -0.92 -2.43 115.64 123.72 1tuy s THR 42 Ca 0.04 -0.43 0.06 0.00 0.31 0.00 0.00 61.69 61.67 1tuy s THR 42 Cb -0.13 -2.60 -0.03 0.00 0.01 0.00 0.00 72.50 69.75 1tuy s THR 42 CO -0.09 0.52 -0.17 -1.58 -0.69 0.00 0.00 174.62 172.61 1tuy s GLN 43 N 0.10 0.95 -0.18 4.92 0.74 0.17 -1.05 119.66 125.31 1tuy s GLN 43 Ca -0.02 -1.02 -0.03 0.00 0.05 0.00 0.00 55.36 54.35 1tuy s GLN 43 Cb -0.14 -1.05 0.05 0.00 1.10 0.00 0.00 33.01 32.97 1tuy s GLN 43 CO 0.03 0.24 0.03 0.15 -0.55 0.00 0.00 175.29 175.19 1tuy s LYS 44 N -1.75 0.65 0.31 1.67 1.02 0.22 -0.47 119.74 121.38 1tuy s LYS 44 Ca 0.01 -0.34 -0.27 0.00 0.02 0.00 0.00 55.97 55.39 1tuy s LYS 44 Cb -0.10 -1.95 -0.09 0.00 -0.52 0.00 0.00 37.83 35.17 1tuy s LYS 44 CO 0.03 -0.59 0.98 0.21 -0.92 0.00 0.00 175.35 175.06 1tuy s LYS 45 N 1.88 4.60 0.26 1.68 2.20 -0.87 -1.77 119.74 127.71 1tuy s LYS 45 Ca -0.00 1.46 -0.05 0.00 -0.36 0.00 0.00 55.97 57.01 1tuy s LYS 45 Cb -0.16 -2.93 0.50 0.00 -1.51 0.00 0.00 37.83 33.73 1tuy s LYS 45 CO -0.08 0.27 1.62 0.35 -0.36 0.00 0.00 175.35 177.15 1tuy h PHE 46 N 3.40 -0.07 0.00 4.03 3.04 -1.49 -2.45 116.94 123.40 1tuy h PHE 46 Ca -0.47 0.06 -0.03 0.00 3.98 0.00 0.00 57.97 61.51 1tuy h PHE 46 Cb 1.20 0.16 -0.01 0.00 2.56 0.00 0.00 35.95 39.86 1tuy h PHE 46 CO 0.60 -0.28 -0.02 -0.40 -2.02 0.00 0.00 178.31 176.19 1tuy n ASP 47 N -5.38 3.52 -3.35 0.41 5.75 -1.26 -4.77 116.55 111.46 1tuy n ASP 47 Ca 0.16 -1.99 -0.19 0.00 -0.01 0.00 0.00 54.79 52.76 1tuy n ASP 47 Cb 0.53 -0.79 0.01 0.00 -1.03 0.00 0.00 41.12 39.84 1tuy n ASP 47 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1tuy n GLY 48 N 1.92 -0.93 3.01 6.12 0.00 -0.93 -5.01 105.19 109.37 1tuy n GLY 48 Ca 0.07 0.85 -0.05 0.00 0.00 0.00 0.00 46.02 46.89 1tuy n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1tuy s LYS 49 N -3.38 0.57 0.20 1.61 1.02 -1.20 -5.01 119.74 113.55 1tuy s LYS 49 Ca 0.15 0.00 -0.14 0.00 0.02 0.00 0.00 55.97 56.00 1tuy s LYS 49 Cb -0.02 -0.14 -0.07 0.00 -0.52 0.00 0.00 37.83 37.07 1tuy s LYS 49 CO 0.83 -1.10 0.60 0.21 -0.92 0.00 0.00 175.35 174.97 1tuy s LYS 50 N 2.30 3.98 -0.03 1.68 2.20 -1.26 -2.04 119.74 126.56 1tuy s LYS 50 Ca 0.12 0.52 0.02 0.00 -0.36 0.00 0.00 55.97 56.27 1tuy s LYS 50 Cb -0.10 -2.79 0.01 0.00 -1.51 0.00 0.00 37.83 33.43 1tuy s LYS 50 CO -0.20 0.39 -0.07 -1.17 -0.36 0.00 0.00 175.35 173.94 1tuy s LEU 51 N -2.29 1.59 -0.03 5.43 2.96 0.38 -5.00 118.68 121.72 1tuy s LEU 51 Ca 0.43 -0.16 0.04 0.00 -0.22 0.00 0.00 54.13 54.22 1tuy s LEU 51 Cb -0.14 -0.49 -0.01 0.00 0.50 0.00 0.00 46.19 46.06 1tuy s LEU 51 CO 0.20 0.01 -0.14 -1.61 -1.32 0.00 0.00 176.35 173.48 1tuy s GLU 52 N 0.53 1.34 -0.04 1.98 2.02 -1.26 -0.66 118.70 122.61 1tuy s GLU 52 Ca -0.08 -0.51 -0.02 0.00 0.02 0.00 0.00 54.97 54.39 1tuy s GLU 52 Cb -0.11 -1.24 0.03 0.00 0.10 0.00 0.00 34.13 32.91 1tuy s GLU 52 CO 0.01 0.25 0.09 0.21 0.02 0.00 0.00 175.26 175.83 1tuy s LYS 53 N -0.10 0.04 -1.11 1.61 2.20 -1.02 -5.01 119.74 116.35 1tuy s LYS 53 Ca 0.01 0.24 -0.03 0.00 -0.36 0.00 0.00 55.97 55.82 1tuy s LYS 53 Cb -0.08 -0.15 0.28 0.00 -1.51 0.00 0.00 37.83 36.36 1tuy s LYS 53 CO 0.01 -0.13 1.79 1.28 -0.36 0.00 0.00 175.35 177.94 1tuy n LEU 54 N 3.90 7.08 -4.56 5.43 7.99 -1.26 -1.52 117.00 134.06 1tuy n LEU 54 Ca -0.23 -5.19 -0.36 0.00 -0.01 0.00 0.00 56.01 50.21 1tuy n LEU 54 Cb 0.53 -1.26 -0.11 0.00 -0.11 0.00 0.00 43.42 42.47 1tuy n LEU 54 CO 0.21 1.87 -0.25 -0.89 -1.51 0.00 0.00 177.39 176.82 1tuy s THR 55 N -2.95 4.70 0.27 -5.08 2.01 -1.20 -4.91 115.64 108.47 1tuy s THR 55 Ca 0.38 -0.05 -0.31 0.00 0.31 0.00 0.00 61.69 62.03 1tuy s THR 55 Cb 0.13 -3.16 -0.12 0.00 0.01 0.00 0.00 72.50 69.36 1tuy s THR 55 CO -0.03 0.38 1.55 -0.67 -0.69 0.00 0.00 174.62 175.16 1tuy n ASP 56 N 4.27 3.53 -4.04 3.53 2.03 -1.26 -4.24 116.55 120.37 1tuy n ASP 56 Ca -0.16 1.14 -0.33 0.00 0.52 0.00 0.00 54.79 55.96 1tuy n ASP 56 Cb 0.52 -1.54 -0.13 0.00 -0.72 0.00 0.00 41.12 39.25 1tuy n ASP 56 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1tuy s LEU 57 N -0.19 4.84 0.03 -2.67 1.43 -1.26 -4.98 118.68 115.87 1tuy s LEU 57 Ca 0.66 -2.45 -0.25 0.00 -1.03 0.00 0.00 54.13 51.06 1tuy s LEU 57 Cb -0.54 -1.71 -0.18 0.00 0.03 0.00 0.00 46.19 43.79 1tuy s LEU 57 CO 0.48 -0.38 1.45 -0.65 0.23 0.00 0.00 176.35 177.47 1tuy h PRO 58 N 7.34 -0.10 -5.48 1.29 0.11 -1.89 1.08 132.00 134.36 1tuy h PRO 58 Ca -0.07 0.01 -0.43 0.00 0.11 0.00 0.00 66.00 65.62 1tuy h PRO 58 Cb 0.98 0.02 -0.20 0.00 0.11 0.00 0.00 31.00 31.91 1tuy h PRO 58 CO 0.63 0.17 -0.78 0.95 -0.21 0.00 0.00 178.00 178.76 1tuy s THR 59 N -5.09 1.27 0.65 -1.15 -4.23 -1.26 -2.05 115.64 103.78 1tuy s THR 59 Ca -0.15 -1.50 0.36 0.00 -1.18 0.00 0.00 61.69 59.22 1tuy s THR 59 Cb 0.03 -1.31 0.37 0.00 1.34 0.00 0.00 72.50 72.93 1tuy s THR 59 CO 0.64 -0.28 2.13 0.45 -0.54 0.00 0.00 174.62 177.02 1tuy h HIS 60 N 3.96 0.00 -0.47 3.99 3.86 -1.89 0.69 115.15 125.30 1tuy h HIS 60 Ca -0.41 0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 58.71 1tuy h HIS 60 Cb 1.19 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.65 1tuy h HIS 60 CO 0.64 0.00 -0.05 -0.22 0.86 0.00 0.00 177.93 179.15 1tuy h LYS 61 N 0.00 0.87 -0.15 2.45 3.64 -1.91 0.58 116.57 122.04 1tuy h LYS 61 Ca 0.02 -0.30 -0.16 0.00 -1.27 0.00 0.00 60.65 58.93 1tuy h LYS 61 Cb 0.39 -0.06 0.01 0.00 -0.41 0.00 0.00 32.23 32.15 1tuy h LYS 61 CO -0.00 0.94 -0.52 -0.44 -2.27 0.00 0.00 179.45 177.16 1tuy h ASP 62 N 0.71 0.72 -0.96 4.20 3.32 -0.13 -3.02 116.42 121.25 1tuy h ASP 62 Ca 0.13 -0.61 0.11 0.00 0.02 0.00 0.00 57.03 56.68 1tuy h ASP 62 Cb 0.58 -0.21 -0.08 0.00 0.22 0.00 0.00 39.33 39.84 1tuy h ASP 62 CO 0.03 1.20 0.59 0.00 -1.72 0.00 0.00 179.24 179.35 1tuy h ALA 63 N 0.53 1.44 0.00 3.45 0.00 -0.67 0.75 119.26 124.76 1tuy h ALA 63 Ca -0.02 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1tuy h ALA 63 Cb 1.15 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 1tuy h ALA 63 CO 0.11 0.20 -0.23 1.25 0.00 0.00 0.00 179.25 180.58 1tuy h LEU 64 N 0.95 0.00 -0.72 0.00 5.85 -0.84 -1.36 115.31 119.18 1tuy h LEU 64 Ca 0.48 0.00 -0.14 0.00 0.84 0.00 0.00 57.88 59.06 1tuy h LEU 64 Cb 0.46 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.48 1tuy h LEU 64 CO -0.26 0.23 -0.56 -0.08 -0.34 0.00 0.00 178.44 177.42 1tuy h GLU 65 N 0.00 0.22 -0.06 1.25 4.57 -0.74 -2.72 114.58 117.10 1tuy h GLU 65 Ca -0.00 -0.14 -0.22 0.00 -1.18 0.00 0.00 59.36 57.82 1tuy h GLU 65 Cb 0.55 0.02 0.01 0.00 -0.16 0.00 0.00 28.75 29.17 1tuy h GLU 65 CO 0.03 0.72 -0.86 0.93 -1.18 0.00 0.00 179.01 178.65 1tuy h GLU 66 N 0.17 0.56 -0.63 1.92 4.39 -0.83 -2.14 114.58 118.01 1tuy h GLU 66 Ca -0.00 -0.52 0.05 0.00 0.34 0.00 0.00 59.36 59.23 1tuy h GLU 66 Cb 1.04 0.13 -0.04 0.00 -0.10 0.00 0.00 28.75 29.79 1tuy h GLU 66 CO 0.09 1.15 0.42 0.28 -1.16 0.00 0.00 179.01 179.78 1tuy h VAL 67 N 0.35 1.03 -0.15 3.13 2.07 -1.16 0.19 116.25 121.72 1tuy h VAL 67 Ca -0.07 -0.23 -0.19 0.00 0.82 0.00 0.00 66.70 67.03 1tuy h VAL 67 Cb 1.48 0.31 0.01 0.00 -1.52 0.00 0.00 31.29 31.57 1tuy h VAL 67 CO 0.16 0.12 -0.67 0.58 0.02 0.00 0.00 177.57 177.78 1tuy h VAL 68 N 0.66 1.31 -0.63 2.57 2.07 -1.32 -2.59 116.25 118.31 1tuy h VAL 68 Ca 0.27 -1.90 0.04 0.00 0.82 0.00 0.00 66.70 65.93 1tuy h VAL 68 Cb 0.21 2.02 -0.04 0.00 -1.52 0.00 0.00 31.29 31.97 1tuy h VAL 68 CO -0.08 0.59 0.42 0.11 0.02 0.00 0.00 177.57 178.63 1tuy h LYS 69 N 0.41 0.69 -0.10 1.57 1.57 -0.54 -1.05 116.57 119.11 1tuy h LYS 69 Ca -0.04 -0.04 -0.20 0.00 -1.87 0.00 0.00 60.65 58.49 1tuy h LYS 69 Cb 1.30 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 33.46 1tuy h LYS 69 CO 0.14 0.46 -0.76 0.00 -0.57 0.00 0.00 179.45 178.71 1tuy h ALA 70 N 1.64 0.47 -0.25 3.86 0.00 -0.93 -2.42 119.26 121.62 1tuy h ALA 70 Ca 0.26 -0.61 -0.15 0.00 0.00 0.00 0.00 54.91 54.40 1tuy h ALA 70 Cb 0.14 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1tuy h ALA 70 CO -0.07 0.73 -0.47 -0.07 0.00 0.00 0.00 179.25 179.37 1tuy h LEU 71 N 0.38 0.73 -0.06 0.00 3.38 -1.03 -3.22 115.31 115.48 1tuy h LEU 71 Ca -0.04 -0.36 0.00 0.00 0.09 0.00 0.00 57.88 57.57 1tuy h LEU 71 Cb 1.36 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.91 1tuy h LEU 71 CO 0.14 1.08 0.00 0.71 0.09 0.00 0.00 178.44 180.46 1tuy h THR 72 N 0.53 0.00 -2.86 0.22 1.35 -1.22 0.31 112.91 111.24 1tuy h THR 72 Ca 0.03 -0.64 -0.58 0.00 -0.55 0.00 0.00 66.41 64.66 1tuy h THR 72 Cb 1.02 1.63 0.10 0.00 -1.73 0.00 0.00 68.15 69.17 1tuy h THR 72 CO 0.10 0.00 0.46 -0.67 -0.25 0.00 0.00 175.52 175.16 1tuy n ASP 73 N -2.56 2.41 0.07 5.36 -0.08 -0.91 -4.67 116.55 116.18 1tuy n ASP 73 Ca 0.05 1.18 0.13 0.00 -1.51 0.00 0.00 54.79 54.63 1tuy n ASP 73 Cb 0.45 -1.41 0.31 0.00 2.34 0.00 0.00 41.12 42.80 1tuy n ASP 73 CO 0.00 0.00 0.00 -0.90 0.12 0.00 0.00 177.20 176.42 1tuy n ASP 74 N 1.40 0.70 -0.07 1.67 5.68 -1.26 -0.70 116.55 123.96 1tuy n ASP 74 Ca 0.08 0.33 -0.06 0.00 -0.50 0.00 0.00 54.79 54.65 1tuy n ASP 74 Cb 0.33 -0.30 -0.14 0.00 -1.14 0.00 0.00 41.12 39.87 1tuy n ASP 74 CO 0.00 0.00 0.00 1.21 -1.33 0.00 0.00 177.20 177.08 1tuy n GLU 75 N -2.12 1.02 -0.05 0.11 0.00 -1.26 -4.58 120.64 113.76 1tuy n GLU 75 Ca 0.05 -0.04 0.01 0.00 0.00 0.00 0.00 57.16 57.18 1tuy n GLU 75 Cb 0.42 -1.45 0.01 0.00 0.00 0.00 0.00 31.44 30.43 1tuy n GLU 75 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.13 178.32 1tuy n PHE 76 N -2.57 0.00 -3.27 4.31 3.01 -1.26 -5.07 117.46 112.61 1tuy n PHE 76 Ca -0.24 -0.33 -0.04 0.00 1.01 0.00 0.00 57.45 57.84 1tuy n PHE 76 Cb 0.97 -0.04 0.01 0.00 -0.01 0.00 0.00 39.48 40.41 1tuy n PHE 76 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1tuy n GLY 77 N -0.38 2.43 0.02 1.37 0.00 0.12 -4.57 105.19 104.18 1tuy n GLY 77 Ca 0.02 -2.17 0.00 0.00 0.00 0.00 0.00 46.02 43.87 1tuy n GLY 77 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1tuy n VAL 78 N -1.01 0.00 -3.69 1.61 0.24 0.99 -4.89 118.33 111.58 1tuy n VAL 78 Ca 0.01 0.00 -0.14 0.00 -2.04 0.00 0.00 64.34 62.18 1tuy n VAL 78 Cb 0.12 0.89 -0.09 0.00 -1.47 0.00 0.00 33.84 33.29 1tuy n VAL 78 CO 0.00 0.00 0.00 0.27 -2.14 0.00 0.00 176.83 174.96 1tuy s ILE 79 N 0.00 0.00 -0.07 1.34 -5.25 -0.69 -5.04 121.20 111.49 1tuy s ILE 79 Ca 0.00 -0.03 -0.04 0.00 -0.99 0.00 0.00 60.65 59.59 1tuy s ILE 79 Cb 0.00 -0.73 -0.02 0.00 2.95 0.00 0.00 42.46 44.65 1tuy s ILE 79 CO 0.00 -0.01 0.19 0.50 -1.79 0.00 0.00 174.94 173.82 1tuy h LYS 80 N 5.12 -0.15 -6.21 0.37 1.63 -1.84 -3.29 116.57 112.20 1tuy h LYS 80 Ca -0.28 0.01 -0.47 0.00 -0.85 0.00 0.00 60.65 59.06 1tuy h LYS 80 Cb 1.17 0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 32.83 1tuy h LYS 80 CO 0.20 -0.10 -0.41 -0.51 -3.45 0.00 0.00 179.45 175.18 1tuy s ASP 81 N -5.15 6.32 0.24 4.20 1.01 -1.26 -4.79 116.67 117.24 1tuy s ASP 81 Ca -0.02 0.12 0.24 0.00 0.71 0.00 0.00 52.55 53.60 1tuy s ASP 81 Cb 0.00 -1.88 0.94 0.00 1.01 0.00 0.00 42.92 42.99 1tuy s ASP 81 CO 0.07 -0.08 1.73 0.80 0.21 0.00 0.00 175.17 177.90 1tuy n MET 82 N -1.35 0.21 0.00 8.23 1.56 -1.26 -2.58 117.12 121.92 1tuy n MET 82 Ca -0.08 0.37 0.08 0.00 -0.27 0.00 0.00 57.70 57.79 1tuy n MET 82 Cb 0.57 -1.85 0.45 0.00 2.15 0.00 0.00 33.22 34.54 1tuy n MET 82 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1tuy n GLY 83 N 0.34 -0.76 0.06 -5.12 0.00 -1.26 -2.83 105.19 95.61 1tuy n GLY 83 Ca 0.03 -0.10 0.12 0.00 0.00 0.00 0.00 46.02 46.08 1tuy n GLY 83 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1tuy n GLU 84 N -0.81 0.21 -3.34 1.61 1.02 -1.07 -4.65 120.64 113.61 1tuy n GLU 84 Ca 0.11 -0.11 -0.44 0.00 -0.02 0.00 0.00 57.16 56.70 1tuy n GLU 84 Cb 0.05 -1.50 -0.08 0.00 -0.02 0.00 0.00 31.44 29.90 1tuy n GLU 84 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1tuy s ILE 85 N -2.87 5.14 -0.48 -3.67 1.01 -1.13 -4.43 121.20 114.77 1tuy s ILE 85 Ca 0.15 -0.80 0.04 0.00 0.00 0.00 0.00 60.65 60.04 1tuy s ILE 85 Cb 0.18 -4.13 0.43 0.00 0.01 0.00 0.00 42.46 38.95 1tuy s ILE 85 CO 0.64 -0.58 1.42 -0.46 0.00 0.00 0.00 174.94 175.96 1tuy n ASN 86 N 5.46 5.67 0.00 3.58 0.23 -0.94 -4.91 115.26 124.35 1tuy n ASN 86 Ca -0.10 -3.76 0.00 0.00 -0.53 0.00 0.00 54.58 50.19 1tuy n ASN 86 Cb 0.45 -0.59 0.00 0.00 -2.08 0.00 0.00 39.78 37.56 1tuy n ASN 86 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1tuy n ALA 87 N -0.64 0.00 -3.34 -2.53 0.00 -1.25 -4.70 120.51 108.05 1tuy n ALA 87 Ca 0.47 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.73 1tuy n ALA 87 Cb 0.70 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 20.00 1tuy n ALA 87 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1tuy s VAL 88 N -0.99 0.42 0.16 0.00 1.01 -0.39 -1.19 120.40 119.42 1tuy s VAL 88 Ca 0.00 -0.12 0.08 0.00 0.00 0.00 0.00 61.98 61.94 1tuy s VAL 88 Cb 0.00 -0.43 -0.04 0.00 0.00 0.00 0.00 36.38 35.91 1tuy s VAL 88 CO 0.00 0.17 -0.06 -0.83 0.00 0.00 0.00 175.10 174.38 1tuy s GLY 89 N 0.56 1.75 -0.15 4.51 0.00 -0.39 -0.71 107.32 112.89 1tuy s GLY 89 Ca -0.07 -1.38 -0.08 0.00 0.00 0.00 0.00 44.72 43.20 1tuy s GLY 89 CO -0.00 -1.38 0.37 -1.58 0.00 0.00 0.00 173.10 170.50 1tuy s HIS 90 N -1.60 -0.54 0.09 1.90 2.46 -1.11 -0.60 115.29 115.89 1tuy s HIS 90 Ca 0.25 1.17 -0.19 0.00 0.47 0.00 0.00 55.06 56.76 1tuy s HIS 90 Cb -0.10 0.21 -0.07 0.00 -0.13 0.00 0.00 32.58 32.49 1tuy s HIS 90 CO 0.16 -0.32 0.58 0.50 -2.47 0.00 0.00 174.74 173.19 1tuy s ARG 91 N 1.45 4.18 -0.02 2.88 3.52 -1.26 -0.35 118.95 129.35 1tuy s ARG 91 Ca -0.09 0.72 0.01 0.00 -0.13 0.00 0.00 55.73 56.24 1tuy s ARG 91 Cb -0.09 -3.18 0.01 0.00 -1.56 0.00 0.00 34.95 30.13 1tuy s ARG 91 CO -0.12 0.61 -0.03 0.08 -0.81 0.00 0.00 175.30 175.03 1tuy s VAL 92 N -1.18 0.35 0.00 7.11 1.01 0.26 -4.93 120.40 123.03 1tuy s VAL 92 Ca 0.31 -0.08 0.00 0.00 0.00 0.00 0.00 61.98 62.21 1tuy s VAL 92 Cb -0.19 -0.36 0.00 0.00 0.00 0.00 0.00 36.38 35.83 1tuy s VAL 92 CO 0.19 0.15 0.00 0.52 0.00 0.00 0.00 175.10 175.96 1tuy n VAL 93 N 3.64 0.00 -2.43 2.92 0.31 -1.26 -0.33 118.33 121.17 1tuy n VAL 93 Ca -0.21 0.00 -0.37 0.00 -0.01 0.00 0.00 64.34 63.75 1tuy n VAL 93 Cb 0.54 -0.68 -0.03 0.00 -0.91 0.00 0.00 33.84 32.76 1tuy n VAL 93 CO 0.00 0.00 0.00 -1.00 -1.32 0.00 0.00 176.83 174.51 1tuy s HIS 94 N 0.00 3.10 0.00 3.52 3.76 -1.26 -2.52 115.29 121.89 1tuy s HIS 94 Ca 0.00 1.60 0.00 0.00 -0.15 0.00 0.00 55.06 56.51 1tuy s HIS 94 Cb 0.00 -3.22 0.00 0.00 1.11 0.00 0.00 32.58 30.47 1tuy s HIS 94 CO 0.00 -0.98 0.00 0.41 -0.85 0.00 0.00 174.74 173.32 1tuy n GLY 95 N 0.34 1.04 0.08 -2.22 0.00 -1.25 -4.48 105.19 98.69 1tuy n GLY 95 Ca 0.06 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.15 1tuy n GLY 95 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1tuy n GLY 96 N -2.00 -1.22 3.47 -0.02 0.00 -1.05 -4.46 105.19 99.91 1tuy n GLY 96 Ca 0.00 -0.30 -0.32 0.00 0.00 0.00 0.00 46.02 45.40 1tuy n GLY 96 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1tuy n GLU 97 N -2.61 -0.62 -0.81 1.61 4.71 -1.26 -2.25 120.64 119.40 1tuy n GLU 97 Ca -0.07 -0.14 0.00 0.00 -0.01 0.00 0.00 57.16 56.95 1tuy n GLU 97 Cb 0.68 -1.99 0.00 0.00 -1.01 0.00 0.00 31.44 29.13 1tuy n GLU 97 CO 0.00 0.00 0.00 1.17 0.09 0.00 0.00 177.13 178.39 1tuy n LYS 98 N -2.59 -0.03 -3.69 3.49 3.00 -1.26 -4.95 118.16 112.13 1tuy n LYS 98 Ca 0.07 0.01 -0.39 0.00 -0.00 0.00 0.00 58.31 58.00 1tuy n LYS 98 Cb 0.54 -3.32 -0.12 0.00 0.00 0.00 0.00 35.03 32.14 1tuy n LYS 98 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.40 177.34 1tuy s PHE 99 N -2.75 3.23 -0.44 5.64 0.08 -0.96 -4.95 117.98 117.83 1tuy s PHE 99 Ca 0.00 -1.14 0.23 0.00 0.12 0.00 0.00 56.93 56.14 1tuy s PHE 99 Cb 0.00 -2.34 0.34 0.00 -0.57 0.00 0.00 43.02 40.45 1tuy s PHE 99 CO 0.00 -0.66 1.57 1.79 -0.10 0.00 0.00 175.22 177.82 1tuy h THR 100 N 5.99 0.00 -4.24 0.64 1.35 -1.88 -3.36 112.91 111.40 1tuy h THR 100 Ca -0.26 -0.97 -0.13 0.00 -0.55 0.00 0.00 66.41 64.50 1tuy h THR 100 Cb 1.10 1.93 -0.15 0.00 -1.73 0.00 0.00 68.15 69.30 1tuy h THR 100 CO 0.63 0.00 -0.68 -0.89 -0.25 0.00 0.00 175.52 174.33 1tuy s THR 101 N -3.22 0.23 -0.17 6.82 2.01 -1.26 -4.80 115.64 115.25 1tuy s THR 101 Ca 0.07 -1.83 -0.29 0.00 0.31 0.00 0.00 61.69 59.95 1tuy s THR 101 Cb 0.06 -1.60 -0.03 0.00 0.01 0.00 0.00 72.50 70.94 1tuy s THR 101 CO 0.68 -0.92 1.58 -0.44 -0.69 0.00 0.00 174.62 174.82 1tuy s SER 102 N -2.94 6.53 0.49 3.53 0.01 -1.26 -4.90 113.70 115.16 1tuy s SER 102 Ca 0.09 1.78 -0.20 0.00 1.31 0.00 0.00 55.95 58.94 1tuy s SER 102 Cb 0.08 -2.53 -0.08 0.00 0.21 0.00 0.00 66.02 63.69 1tuy s SER 102 CO -0.08 -1.11 1.03 0.00 0.41 0.00 0.00 173.24 173.49 1tuy s ALA 103 N 4.67 2.88 -0.22 1.44 0.00 -1.21 -4.82 121.76 124.50 1tuy s ALA 103 Ca 0.70 0.55 0.02 0.00 0.00 0.00 0.00 51.96 53.22 1tuy s ALA 103 Cb -0.27 -3.23 0.29 0.00 0.00 0.00 0.00 23.12 19.91 1tuy s ALA 103 CO 0.27 -0.31 1.38 -0.11 0.00 0.00 0.00 175.76 176.99 1tuy n LEU 104 N -1.07 4.55 -1.83 0.00 7.94 -1.26 -1.61 117.00 123.73 1tuy n LEU 104 Ca 0.09 -2.37 0.00 0.00 -1.11 0.00 0.00 56.01 52.61 1tuy n LEU 104 Cb 0.53 -0.64 0.00 0.00 0.53 0.00 0.00 43.42 43.83 1tuy n LEU 104 CO 0.40 0.72 -0.14 0.00 -1.11 0.00 0.00 177.39 177.27 1tuy n TYR 105 N -0.19 0.00 -4.02 1.96 9.36 -1.21 -4.62 117.16 118.44 1tuy n TYR 105 Ca 0.25 0.00 -0.01 0.00 3.32 0.00 0.00 57.90 61.47 1tuy n TYR 105 Cb 1.00 -0.55 -0.00 0.00 -0.63 0.00 0.00 39.34 39.16 1tuy n TYR 105 CO 0.00 0.00 0.00 -0.40 0.22 0.00 0.00 176.86 176.68 1tuy n ASP 106 N 1.61 1.74 0.29 2.98 5.68 -1.26 -4.84 116.55 122.75 1tuy n ASP 106 Ca 0.00 -1.05 0.13 0.00 -0.50 0.00 0.00 54.79 53.37 1tuy n ASP 106 Cb 0.14 0.01 0.84 0.00 -1.14 0.00 0.00 41.12 40.97 1tuy n ASP 106 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 1tuy h GLU 107 N 0.00 0.00 -0.01 0.11 4.57 -2.05 -2.32 114.58 114.88 1tuy h GLU 107 Ca -0.01 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 1tuy h GLU 107 Cb 0.03 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.62 1tuy h GLU 107 CO 0.01 0.00 -0.05 0.41 -1.18 0.00 0.00 179.01 178.20 1tuy n GLY 108 N -1.37 -0.23 0.09 1.92 0.00 -1.26 -4.06 105.19 100.29 1tuy n GLY 108 Ca -0.03 -0.41 -0.02 0.00 0.00 0.00 0.00 46.02 45.55 1tuy n GLY 108 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1tuy h VAL 109 N 1.89 0.76 0.14 1.61 2.07 -1.80 -3.11 116.25 117.80 1tuy h VAL 109 Ca 0.00 -2.34 -0.01 0.00 0.82 0.00 0.00 66.70 65.17 1tuy h VAL 109 Cb 0.46 2.26 0.00 0.00 -1.52 0.00 0.00 31.29 32.49 1tuy h VAL 109 CO 0.00 0.43 -0.07 -0.33 0.02 0.00 0.00 177.57 177.63 1tuy h GLU 110 N 0.00 -0.18 -0.14 1.57 3.07 -1.70 0.85 114.58 118.05 1tuy h GLU 110 Ca -0.15 0.01 0.03 0.00 -0.50 0.00 0.00 59.36 58.74 1tuy h GLU 110 Cb 1.68 0.04 -0.03 0.00 -0.84 0.00 0.00 28.75 29.60 1tuy h GLU 110 CO 0.07 -0.05 -0.03 1.57 -1.40 0.00 0.00 179.01 179.17 1tuy h LYS 111 N -0.27 0.01 -0.65 2.33 -0.00 -1.79 0.99 116.57 117.19 1tuy h LYS 111 Ca -0.02 -0.00 0.12 0.00 -0.00 0.00 0.00 60.65 60.75 1tuy h LYS 111 Cb 0.21 -0.00 -0.09 0.00 -0.00 0.00 0.00 32.23 32.36 1tuy h LYS 111 CO 0.03 0.01 0.21 0.00 -0.00 0.00 0.00 179.45 179.69 1tuy h ALA 112 N 1.13 0.83 0.00 0.07 0.00 -1.44 0.66 119.26 120.52 1tuy h ALA 112 Ca 0.07 0.11 -0.07 0.00 0.00 0.00 0.00 54.91 55.01 1tuy h ALA 112 Cb 0.10 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1tuy h ALA 112 CO -0.14 -0.25 -0.36 0.82 0.00 0.00 0.00 179.25 179.33 1tuy h ILE 113 N 0.35 0.79 0.00 0.00 2.04 -0.06 -2.85 117.51 117.79 1tuy h ILE 113 Ca 0.34 -1.54 0.00 0.00 1.00 0.00 0.00 64.86 64.67 1tuy h ILE 113 Cb 0.49 1.97 0.00 0.00 -0.74 0.00 0.00 36.82 38.54 1tuy h ILE 113 CO -0.38 0.35 -0.29 0.29 0.00 0.00 0.00 178.15 178.12 1tuy n LYS 114 N -3.44 0.28 -0.04 2.37 5.02 0.34 -4.02 118.16 118.67 1tuy n LYS 114 Ca 0.00 0.16 -0.14 0.00 -2.02 0.00 0.00 58.31 56.31 1tuy n LYS 114 Cb 0.53 -1.76 -0.12 0.00 -0.02 0.00 0.00 35.03 33.66 1tuy n LYS 114 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 1tuy h ASP 115 N 0.00 0.06 0.00 4.39 5.19 0.39 -3.26 116.42 123.20 1tuy h ASP 115 Ca 0.00 -0.81 0.00 0.00 -0.62 0.00 0.00 57.03 55.60 1tuy h ASP 115 Cb 0.75 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 40.24 1tuy h ASP 115 CO 0.00 0.86 0.00 0.00 -3.12 0.00 0.00 179.24 176.98 1tuy n PHE 117 N 0.40 0.00 0.08 0.00 3.01 -1.23 -3.91 117.46 115.81 1tuy n PHE 117 Ca 0.00 0.00 0.09 0.00 1.01 0.00 0.00 57.45 58.55 1tuy n PHE 117 Cb 0.20 0.00 0.56 0.00 -0.01 0.00 0.00 39.48 40.23 1tuy n PHE 117 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 1tuy h GLU 118 N 0.00 0.23 -6.21 -1.08 5.08 -1.85 -3.42 114.58 107.32 1tuy h GLU 118 Ca 0.00 -0.01 -0.59 0.00 -1.00 0.00 0.00 59.36 57.76 1tuy h GLU 118 Cb 0.00 -0.05 0.01 0.00 0.50 0.00 0.00 28.75 29.21 1tuy h GLU 118 CO 0.00 0.15 1.26 1.28 -1.00 0.00 0.00 179.01 180.71 1tuy n LEU 119 N -4.49 3.54 -0.06 1.33 4.77 -1.26 -4.49 117.00 116.33 1tuy n LEU 119 Ca 0.03 0.73 0.00 0.00 -0.03 0.00 0.00 56.01 56.74 1tuy n LEU 119 Cb 0.21 -1.45 0.00 0.00 -2.33 0.00 0.00 43.42 39.85 1tuy n LEU 119 CO 0.35 -0.17 -0.02 0.00 -1.33 0.00 0.00 177.39 176.22 1tuy n ALA 120 N 8.37 -2.81 -1.44 -1.18 0.00 -1.26 -4.69 120.51 117.49 1tuy n ALA 120 Ca 0.25 0.02 -0.33 0.00 0.00 0.00 0.00 53.44 53.38 1tuy n ALA 120 Cb 0.36 -0.53 -0.08 0.00 0.00 0.00 0.00 19.45 19.20 1tuy n ALA 120 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1tuy n PRO 121 N -0.52 1.02 -4.00 0.00 -0.04 -1.26 -4.87 135.00 125.33 1tuy n PRO 121 Ca 0.00 -1.90 -0.35 0.00 -0.04 0.00 0.00 63.50 61.21 1tuy n PRO 121 Cb 0.00 -3.33 -0.11 0.00 -0.04 0.00 0.00 33.50 30.02 1tuy n PRO 121 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1tuy s LEU 122 N 7.50 3.63 0.00 1.53 1.43 -1.26 -5.03 118.68 126.48 1tuy s LEU 122 Ca 0.68 -0.03 0.00 0.00 -1.03 0.00 0.00 54.13 53.75 1tuy s LEU 122 Cb 0.06 -1.93 0.00 0.00 0.03 0.00 0.00 46.19 44.35 1tuy s LEU 122 CO 0.18 0.11 0.00 0.00 0.23 0.00 0.00 176.35 176.87 1tuy n HIS 123 N 3.94 0.00 -1.51 0.29 1.44 -1.26 -4.71 115.22 113.40 1tuy n HIS 123 Ca -0.16 0.00 -0.44 0.00 -2.01 0.00 0.00 57.72 55.11 1tuy n HIS 123 Cb 0.52 0.00 -0.06 0.00 0.12 0.00 0.00 29.99 30.57 1tuy n HIS 123 CO 0.00 0.00 0.00 0.09 -2.81 0.00 0.00 176.34 173.62 1tuy n ASN 124 N 0.00 2.09 -3.47 4.39 4.13 -1.26 -4.96 115.26 116.19 1tuy n ASN 124 Ca 0.00 0.05 -0.31 0.00 1.68 0.00 0.00 54.58 56.01 1tuy n ASN 124 Cb 0.00 -1.36 0.28 0.00 -1.54 0.00 0.00 39.78 37.16 1tuy n ASN 124 CO 0.00 0.00 0.00 -2.84 0.28 0.00 0.00 177.26 174.70 1tuy s PRO 125 N 7.30 -2.69 -0.35 3.52 0.02 -1.26 -4.87 135.00 136.67 1tuy s PRO 125 Ca 1.09 0.07 -0.28 0.00 0.02 0.00 0.00 61.00 61.89 1tuy s PRO 125 Cb -0.62 -1.41 -0.03 0.00 0.02 0.00 0.00 34.50 32.46 1tuy s PRO 125 CO 0.40 -4.70 1.95 -2.14 -0.33 0.00 0.00 177.00 172.17 1tuy s PRO 126 N -5.17 3.11 -0.78 5.54 0.02 -1.26 -4.89 135.00 131.57 1tuy s PRO 126 Ca 0.69 1.46 -0.26 0.00 0.02 0.00 0.00 61.00 62.92 1tuy s PRO 126 Cb -0.12 -4.29 -0.08 0.00 0.02 0.00 0.00 34.50 30.03 1tuy s PRO 126 CO 0.57 -2.13 2.18 1.21 -0.33 0.00 0.00 177.00 178.50 1tuy s ASN 127 N 7.31 4.57 0.07 2.53 3.84 -1.26 -4.73 114.94 127.26 1tuy s ASN 127 Ca 0.84 -0.07 0.28 0.00 0.21 0.00 0.00 52.86 54.13 1tuy s ASN 127 Cb -0.23 -2.55 1.10 0.00 -0.55 0.00 0.00 41.25 39.03 1tuy s ASN 127 CO 0.32 -3.18 1.88 0.23 -2.79 0.00 0.00 177.10 173.56 1tuy n MET 128 N 8.90 0.08 -0.33 0.43 2.81 -1.26 -3.91 117.12 123.84 1tuy n MET 128 Ca 0.40 0.07 0.14 0.00 -1.81 0.00 0.00 57.70 56.51 1tuy n MET 128 Cb 0.47 -1.60 0.37 0.00 -0.71 0.00 0.00 33.22 31.75 1tuy n MET 128 CO 0.00 0.00 0.00 1.98 1.51 0.00 0.00 175.97 179.46 1tuy h MET 129 N 0.00 0.66 -0.00 0.03 -1.53 -1.94 0.15 114.93 112.30 1tuy h MET 129 Ca 0.00 -0.04 0.00 0.00 -3.44 0.00 0.00 59.70 56.22 1tuy h MET 129 Cb 0.57 -0.15 0.00 0.00 -0.55 0.00 0.00 31.60 31.47 1tuy h MET 129 CO 0.00 0.44 -0.30 0.41 0.14 0.00 0.00 176.91 177.60 1tuy n GLY 130 N -1.38 -1.19 0.13 1.39 0.00 -1.25 -3.85 105.19 99.04 1tuy n GLY 130 Ca 0.22 -0.29 -0.21 0.00 0.00 0.00 0.00 46.02 45.74 1tuy n GLY 130 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1tuy n ILE 131 N -1.32 1.68 0.32 -0.61 0.00 0.43 -4.11 119.36 115.75 1tuy n ILE 131 Ca 0.08 -0.53 0.15 0.00 0.00 0.00 0.00 62.75 62.45 1tuy n ILE 131 Cb 0.33 -1.73 0.67 0.00 0.00 0.00 0.00 39.64 38.90 1tuy n ILE 131 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.55 176.83 1tuy h SER 132 N -0.16 0.00 0.99 9.51 0.02 -1.46 -2.40 113.55 120.04 1tuy h SER 132 Ca -0.46 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.49 1tuy h SER 132 Cb 1.88 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.42 1tuy h SER 132 CO -0.02 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.67 1tuy h ALA 133 N 2.11 1.00 -0.09 3.77 0.00 -1.71 -3.14 119.26 121.19 1tuy h ALA 133 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 1tuy h ALA 133 Cb 0.31 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.11 1tuy h ALA 133 CO 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 179.25 178.81 1tuy h ALA 135 N 0.46 2.64 -3.00 0.00 0.00 -1.72 -1.61 119.26 116.03 1tuy h ALA 135 Ca -0.03 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1tuy h ALA 135 Cb 1.09 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1tuy h ALA 135 CO 0.09 -0.99 0.00 0.39 0.00 0.00 0.00 179.25 178.74 1tuy n GLU 136 N -4.08 0.00 -0.34 0.00 -0.58 -1.19 -3.70 120.64 110.75 1tuy n GLU 136 Ca 0.15 0.00 0.05 0.00 -0.42 0.00 0.00 57.16 56.95 1tuy n GLU 136 Cb 0.88 -0.34 0.13 0.00 -0.57 0.00 0.00 31.44 31.53 1tuy n GLU 136 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76 1tuy n ILE 137 N -0.45 -0.39 -3.45 -3.67 2.08 -1.12 -3.69 119.36 108.66 1tuy n ILE 137 Ca 0.00 2.13 -0.28 0.00 0.56 0.00 0.00 62.75 65.16 1tuy n ILE 137 Cb 0.00 -2.94 -0.11 0.00 -0.75 0.00 0.00 39.64 35.84 1tuy n ILE 137 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1tuy s MET 138 N -6.16 0.79 0.01 0.38 0.23 -0.61 -5.01 119.30 108.93 1tuy s MET 138 Ca -0.14 -1.78 -0.25 0.00 -1.03 0.00 0.00 55.69 52.49 1tuy s MET 138 Cb 0.25 -1.44 -0.19 0.00 -1.53 0.00 0.00 34.83 31.92 1tuy s MET 138 CO 0.72 -1.30 1.38 -1.00 -2.03 0.00 0.00 175.02 172.80 1tuy h PRO 139 N 6.30 0.00 -0.70 3.16 0.13 -1.64 -3.11 132.00 136.15 1tuy h PRO 139 Ca 0.16 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 1tuy h PRO 139 Cb 0.93 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.06 1tuy h PRO 139 CO 0.33 0.37 0.00 0.41 -0.23 0.00 0.00 178.00 178.89 1tuy n GLY 140 N -0.09 0.86 3.35 1.56 0.00 -1.26 -4.71 105.19 104.90 1tuy n GLY 140 Ca -0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.60 1tuy n GLY 140 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1tuy s THR 141 N -0.75 3.13 0.18 2.61 2.01 -1.18 -5.09 115.64 116.56 1tuy s THR 141 Ca 0.00 -0.62 -0.33 0.00 0.31 0.00 0.00 61.69 61.05 1tuy s THR 141 Cb 0.00 -2.35 -0.13 0.00 0.01 0.00 0.00 72.50 70.03 1tuy s THR 141 CO 0.00 0.50 1.60 -2.65 -0.69 0.00 0.00 174.62 173.38 1tuy n PRO 142 N 3.90 2.32 -3.93 4.92 -0.02 -1.26 -4.91 135.00 136.03 1tuy n PRO 142 Ca -0.18 0.84 -0.30 0.00 -2.02 0.00 0.00 63.50 61.84 1tuy n PRO 142 Cb 0.52 -2.62 -0.16 0.00 -0.02 0.00 0.00 33.50 31.22 1tuy n PRO 142 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 1tuy s MET 143 N 0.81 1.61 -0.09 -0.52 1.75 -1.26 -1.27 119.30 120.33 1tuy s MET 143 Ca 0.76 -0.76 -0.04 0.00 -1.25 0.00 0.00 55.69 54.40 1tuy s MET 143 Cb -0.63 -2.33 -0.04 0.00 2.84 0.00 0.00 34.83 34.68 1tuy s MET 143 CO 0.38 -0.50 0.09 0.08 -0.65 0.00 0.00 175.02 174.41 1tuy s VAL 144 N 1.50 5.01 -0.35 10.11 1.01 0.11 -3.29 120.40 134.50 1tuy s VAL 144 Ca -0.02 -0.02 -0.04 0.00 0.00 0.00 0.00 61.98 61.89 1tuy s VAL 144 Cb -0.17 -3.17 0.06 0.00 0.00 0.00 0.00 36.38 33.10 1tuy s VAL 144 CO -0.07 0.58 0.11 -0.63 0.00 0.00 0.00 175.10 175.09 1tuy s ILE 145 N -1.00 3.45 -0.02 2.22 -1.09 -0.63 -2.73 121.20 121.39 1tuy s ILE 145 Ca 0.16 -1.47 -0.30 0.00 -2.23 0.00 0.00 60.65 56.81 1tuy s ILE 145 Cb -0.12 -3.08 -0.03 0.00 -1.58 0.00 0.00 42.46 37.65 1tuy s ILE 145 CO 0.05 -0.32 1.01 -0.69 -1.23 0.00 0.00 174.94 173.77 1tuy s VAL 146 N 1.29 4.75 -0.21 2.92 1.01 0.53 -3.35 120.40 127.34 1tuy s VAL 146 Ca 0.00 1.98 -0.07 0.00 0.00 0.00 0.00 61.98 63.89 1tuy s VAL 146 Cb -0.21 -4.27 -0.04 0.00 0.00 0.00 0.00 36.38 31.87 1tuy s VAL 146 CO -0.00 0.12 0.07 -0.36 0.00 0.00 0.00 175.10 174.93 1tuy s PHE 147 N 1.25 3.17 -1.28 5.22 0.08 -1.26 -0.57 117.98 124.59 1tuy s PHE 147 Ca 0.52 -0.13 0.10 0.00 0.12 0.00 0.00 56.93 57.53 1tuy s PHE 147 Cb -0.21 -2.16 0.46 0.00 -0.57 0.00 0.00 43.02 40.53 1tuy s PHE 147 CO 0.26 -0.08 1.23 -3.47 -0.10 0.00 0.00 175.22 173.06 1tuy n ASP 148 N 4.19 0.00 -0.10 1.36 2.03 0.55 -2.12 116.55 122.47 1tuy n ASP 148 Ca -0.16 0.27 0.03 0.00 0.52 0.00 0.00 54.79 55.45 1tuy n ASP 148 Cb 0.52 -0.36 -0.01 0.00 -0.72 0.00 0.00 41.12 40.54 1tuy n ASP 148 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 1tuy n THR 149 N -1.36 0.00 -0.20 5.18 -2.24 -1.26 -1.26 114.28 113.14 1tuy n THR 149 Ca 0.04 -0.40 -0.08 0.00 -2.27 0.00 0.00 64.05 61.34 1tuy n THR 149 Cb 0.09 1.05 0.02 0.00 -2.10 0.00 0.00 70.33 69.39 1tuy n THR 149 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1tuy h ALA 150 N 1.09 0.74 -1.04 6.98 0.00 -1.58 -3.04 119.26 122.40 1tuy h ALA 150 Ca 0.00 -0.21 0.27 0.00 0.00 0.00 0.00 54.91 54.98 1tuy h ALA 150 Cb 0.20 -0.22 -0.08 0.00 0.00 0.00 0.00 17.79 17.69 1tuy h ALA 150 CO 0.00 0.42 0.69 0.35 0.00 0.00 0.00 179.25 180.71 1tuy h PHE 151 N 0.80 0.51 -0.29 0.00 3.57 -1.83 0.15 116.94 119.85 1tuy h PHE 151 Ca 0.18 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.70 1tuy h PHE 151 Cb 0.30 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 38.90 1tuy h PHE 151 CO 0.02 0.05 0.00 0.72 -2.23 0.00 0.00 178.31 176.87 1tuy n HIS 152 N -4.53 0.40 1.49 0.41 8.25 -1.15 -4.09 115.22 116.00 1tuy n HIS 152 Ca 0.25 -0.20 0.12 0.00 -0.26 0.00 0.00 57.72 57.63 1tuy n HIS 152 Cb 0.93 -0.00 0.72 0.00 1.12 0.00 0.00 29.99 32.75 1tuy n HIS 152 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1tuy n GLN 153 N 0.36 0.72 0.00 -0.41 1.13 0.04 -2.54 117.38 116.68 1tuy n GLN 153 Ca 0.10 0.01 0.13 0.00 -1.94 0.00 0.00 57.00 55.30 1tuy n GLN 153 Cb 0.25 -1.50 0.32 0.00 0.11 0.00 0.00 30.24 29.43 1tuy n GLN 153 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 1tuy n THR 154 N -1.04 0.00 -1.98 5.09 -2.24 -1.26 -4.95 114.28 107.90 1tuy n THR 154 Ca 0.18 -0.35 -0.40 0.00 -2.27 0.00 0.00 64.05 61.20 1tuy n THR 154 Cb 0.10 0.94 -0.01 0.00 -2.10 0.00 0.00 70.33 69.26 1tuy n THR 154 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 1tuy s MET 155 N -2.04 4.08 0.63 -0.78 -1.94 -1.05 -4.80 119.30 113.41 1tuy s MET 155 Ca 0.33 2.30 -0.15 0.00 -1.71 0.00 0.00 55.69 56.46 1tuy s MET 155 Cb 0.20 -2.89 -0.01 0.00 2.01 0.00 0.00 34.83 34.14 1tuy s MET 155 CO 0.34 -0.45 1.09 -1.25 -0.01 0.00 0.00 175.02 174.74 1tuy s PRO 156 N -2.10 3.00 0.39 2.03 0.04 -1.26 -4.81 135.00 132.29 1tuy s PRO 156 Ca 0.54 1.33 0.12 0.00 0.04 0.00 0.00 61.00 63.03 1tuy s PRO 156 Cb -0.41 -1.98 0.93 0.00 0.04 0.00 0.00 34.50 33.07 1tuy s PRO 156 CO 0.54 -1.08 1.90 -1.35 0.04 0.00 0.00 177.00 177.05 1tuy h PRO 157 N 0.21 0.54 0.00 0.56 0.11 -1.99 -0.42 132.00 131.01 1tuy h PRO 157 Ca -0.47 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1tuy h PRO 157 Cb 1.24 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1tuy h PRO 157 CO 0.55 0.36 0.00 2.48 -0.21 0.00 0.00 178.00 181.18 1tuy n TYR 158 N -4.52 0.00 -0.03 0.65 0.18 -1.26 -2.40 117.16 109.79 1tuy n TYR 158 Ca 0.15 0.00 -0.04 0.00 1.88 0.00 0.00 57.90 59.89 1tuy n TYR 158 Cb 0.48 0.00 -0.02 0.00 -0.38 0.00 0.00 39.34 39.42 1tuy n TYR 158 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 1tuy n ALA 159 N -0.73 2.16 1.31 -3.48 0.00 -0.22 -4.70 120.51 114.86 1tuy n ALA 159 Ca 0.09 -0.22 0.14 0.00 0.00 0.00 0.00 53.44 53.45 1tuy n ALA 159 Cb 0.04 0.40 0.54 0.00 0.00 0.00 0.00 19.45 20.43 1tuy n ALA 159 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 1tuy n TYR 160 N -2.87 0.00 -3.10 0.00 0.18 -0.90 -4.81 117.16 105.66 1tuy n TYR 160 Ca -0.10 0.00 -0.31 0.00 1.88 0.00 0.00 57.90 59.37 1tuy n TYR 160 Cb 0.59 -0.20 -0.04 0.00 -0.38 0.00 0.00 39.34 39.31 1tuy n TYR 160 CO 0.00 0.00 0.00 -1.64 -2.08 0.00 0.00 176.86 173.14 1tuy s MET 161 N -2.56 3.83 0.06 -3.48 -1.94 -1.01 0.46 119.30 114.65 1tuy s MET 161 Ca 0.25 0.43 0.05 0.00 -1.71 0.00 0.00 55.69 54.71 1tuy s MET 161 Cb 0.20 -2.48 -0.04 0.00 2.01 0.00 0.00 34.83 34.52 1tuy s MET 161 CO 0.51 0.11 -0.05 0.71 -0.01 0.00 0.00 175.02 176.29 1tuy s TYR 162 N -2.13 2.89 -1.35 -0.03 2.02 -1.26 -4.89 117.35 112.61 1tuy s TYR 162 Ca 0.50 -0.06 -0.13 0.00 -0.37 0.00 0.00 57.07 57.02 1tuy s TYR 162 Cb -0.10 -1.54 -0.04 0.00 -0.40 0.00 0.00 41.96 39.87 1tuy s TYR 162 CO 0.25 0.43 2.42 0.00 -1.57 0.00 0.00 175.55 177.08 1tuy n ALA 163 N 1.01 5.82 -2.37 3.71 0.00 -1.26 -4.78 120.51 122.64 1tuy n ALA 163 Ca -0.13 -3.42 -0.19 0.00 0.00 0.00 0.00 53.44 49.70 1tuy n ALA 163 Cb 0.52 -3.42 -0.10 0.00 0.00 0.00 0.00 19.45 16.45 1tuy n ALA 163 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1tuy s LEU 164 N 1.07 2.28 0.14 0.00 1.43 -1.26 -5.10 118.68 117.24 1tuy s LEU 164 Ca 0.55 -1.23 -0.35 0.00 -1.03 0.00 0.00 54.13 52.08 1tuy s LEU 164 Cb 0.15 -0.39 -0.16 0.00 0.03 0.00 0.00 46.19 45.82 1tuy s LEU 164 CO -0.04 -0.47 1.30 -2.65 0.23 0.00 0.00 176.35 174.72 1tuy n PRO 165 N -0.50 1.32 0.02 1.29 -0.02 -1.26 -4.83 135.00 131.02 1tuy n PRO 165 Ca -0.05 0.47 0.13 0.00 -2.02 0.00 0.00 63.50 62.04 1tuy n PRO 165 Cb 0.64 -2.07 0.59 0.00 -0.02 0.00 0.00 33.50 32.63 1tuy n PRO 165 CO 0.00 0.00 0.00 -0.92 1.98 0.00 0.00 175.50 176.56 1tuy h TYR 166 N 4.21 0.21 -0.01 6.00 3.20 -1.99 -1.79 116.97 126.82 1tuy h TYR 166 Ca -0.46 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.42 1tuy h TYR 166 Cb 1.33 -0.07 -0.00 0.00 1.54 0.00 0.00 36.73 39.53 1tuy h TYR 166 CO 0.58 0.11 0.01 0.38 -1.64 0.00 0.00 178.16 177.59 1tuy h ASP 167 N 0.20 0.00 -0.46 -2.11 3.04 -1.98 -2.38 116.42 112.73 1tuy h ASP 167 Ca 0.21 0.00 -0.14 0.00 -3.24 0.00 0.00 57.03 53.86 1tuy h ASP 167 Cb 0.56 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 38.84 1tuy h ASP 167 CO -0.04 0.00 -0.27 -0.07 -2.04 0.00 0.00 179.24 176.83 1tuy h LEU 168 N 0.00 1.03 -0.54 0.15 3.38 -1.67 1.01 115.31 118.67 1tuy h LEU 168 Ca 0.00 -0.42 -0.14 0.00 0.09 0.00 0.00 57.88 57.41 1tuy h LEU 168 Cb 0.03 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 1tuy h LEU 168 CO -0.00 1.22 -0.69 0.22 0.09 0.00 0.00 178.44 179.28 1tuy h TYR 169 N 0.84 0.00 0.20 1.13 3.20 -1.59 -0.54 116.97 120.21 1tuy h TYR 169 Ca 0.10 0.00 -0.31 0.00 3.14 0.00 0.00 58.73 61.66 1tuy h TYR 169 Cb 0.86 0.00 0.02 0.00 1.54 0.00 0.00 36.73 39.15 1tuy h TYR 169 CO 0.06 0.69 -1.45 1.49 -1.64 0.00 0.00 178.16 177.30 1tuy h GLU 170 N 0.00 0.42 0.00 1.82 4.81 -1.24 -2.05 114.58 118.33 1tuy h GLU 170 Ca -0.01 -0.71 -0.14 0.00 -0.13 0.00 0.00 59.36 58.38 1tuy h GLU 170 Cb 1.27 0.26 -0.02 0.00 0.63 0.00 0.00 28.75 30.89 1tuy h GLU 170 CO 0.09 1.34 -1.04 -0.22 -0.73 0.00 0.00 179.01 178.45 1tuy h LYS 171 N -0.02 0.00 0.00 1.92 3.64 0.10 -3.39 116.57 118.82 1tuy h LYS 171 Ca -0.28 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.10 1tuy h LYS 171 Cb 2.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.82 1tuy h LYS 171 CO 0.19 0.37 0.00 0.72 -2.27 0.00 0.00 179.45 178.46 1tuy n HIS 172 N -3.02 0.00 -2.25 1.91 8.25 -0.24 -5.02 115.22 114.85 1tuy n HIS 172 Ca -0.05 -0.03 -0.12 0.00 -0.26 0.00 0.00 57.72 57.27 1tuy n HIS 172 Cb 0.79 -0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.89 1tuy n HIS 172 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1tuy n GLY 173 N -0.03 -0.11 3.58 -1.41 0.00 -0.77 -4.94 105.19 101.52 1tuy n GLY 173 Ca 0.00 -0.39 -0.41 0.00 0.00 0.00 0.00 46.02 45.22 1tuy n GLY 173 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1tuy s VAL 174 N -2.60 3.60 0.24 1.61 1.01 -1.05 -4.91 120.40 118.31 1tuy s VAL 174 Ca 0.01 0.53 -0.17 0.00 0.00 0.00 0.00 61.98 62.35 1tuy s VAL 174 Cb -0.00 -4.05 0.01 0.00 0.00 0.00 0.00 36.38 32.34 1tuy s VAL 174 CO 0.01 -0.83 0.57 0.00 0.00 0.00 0.00 175.10 174.85 1tuy s ARG 175 N 5.87 1.58 -0.04 2.72 1.70 -1.26 -4.10 118.95 125.42 1tuy s ARG 175 Ca 0.65 -1.06 -0.28 0.00 -0.47 0.00 0.00 55.73 54.57 1tuy s ARG 175 Cb -0.15 0.53 -0.03 0.00 -0.57 0.00 0.00 34.95 34.74 1tuy s ARG 175 CO 0.27 -0.69 0.92 0.21 -1.08 0.00 0.00 175.30 174.94 1tuy s LYS 176 N -3.94 4.50 -0.16 3.89 2.20 0.17 -3.36 119.74 123.03 1tuy s LYS 176 Ca 0.15 1.29 -0.03 0.00 -0.36 0.00 0.00 55.97 57.02 1tuy s LYS 176 Cb -0.03 -3.48 -0.09 0.00 -1.51 0.00 0.00 37.83 32.73 1tuy s LYS 176 CO 0.05 -0.09 -0.17 0.66 -0.36 0.00 0.00 175.35 175.43 1tuy n TYR 177 N 4.15 0.00 0.00 4.03 4.01 -0.76 -4.78 117.16 123.81 1tuy n TYR 177 Ca 0.05 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.79 1tuy n TYR 177 Cb 0.51 -0.60 0.00 0.00 -0.31 0.00 0.00 39.34 38.93 1tuy n TYR 177 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1tuy n GLY 178 N 2.39 -1.59 0.47 2.72 0.00 -1.10 -4.60 105.19 103.47 1tuy n GLY 178 Ca -0.30 -1.55 -0.02 0.00 0.00 0.00 0.00 46.02 44.14 1tuy n GLY 178 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1tuy n PHE 179 N -1.33 -0.49 -1.78 1.61 3.72 -1.26 -4.41 117.46 113.52 1tuy n PHE 179 Ca 0.00 -0.34 -0.15 0.00 -0.05 0.00 0.00 57.45 56.91 1tuy n PHE 179 Cb 0.00 0.07 -0.05 0.00 -0.94 0.00 0.00 39.48 38.56 1tuy n PHE 179 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 1tuy n HIS 180 N -0.08 -0.61 -0.26 1.38 8.25 -1.22 -4.84 115.22 117.84 1tuy n HIS 180 Ca 0.00 0.00 0.06 0.00 -0.26 0.00 0.00 57.72 57.52 1tuy n HIS 180 Cb 0.08 -2.95 0.19 0.00 1.12 0.00 0.00 29.99 28.44 1tuy n HIS 180 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 1tuy h GLY 181 N 0.00 1.13 1.27 -1.41 0.00 -1.50 0.10 103.07 102.66 1tuy h GLY 181 Ca -0.33 -0.11 -0.13 0.00 0.00 0.00 0.00 47.33 46.77 1tuy h GLY 181 CO 0.45 -0.15 -0.26 -0.84 0.00 0.00 0.00 176.54 175.74 1tuy h THR 182 N 0.37 1.27 -0.32 4.70 2.02 -1.84 -0.40 112.91 118.72 1tuy h THR 182 Ca 0.43 -1.41 -0.13 0.00 0.77 0.00 0.00 66.41 66.07 1tuy h THR 182 Cb 0.69 1.25 -0.00 0.00 -1.74 0.00 0.00 68.15 68.35 1tuy h THR 182 CO -0.45 0.47 -0.33 -1.28 0.37 0.00 0.00 175.52 174.30 1tuy h SER 183 N 0.71 0.84 -0.43 4.18 0.87 -1.74 -1.54 113.55 116.44 1tuy h SER 183 Ca 0.09 -0.47 -0.10 0.00 -1.23 0.00 0.00 61.79 60.07 1tuy h SER 183 Cb 0.80 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 62.51 1tuy h SER 183 CO 0.07 1.14 -0.12 0.45 -0.53 0.00 0.00 176.83 177.84 1tuy h HIS 184 N 0.56 0.99 -0.02 2.24 -0.00 -0.73 -2.72 115.15 115.46 1tuy h HIS 184 Ca 0.05 -0.19 -0.17 0.00 -0.00 0.00 0.00 60.37 60.06 1tuy h HIS 184 Cb 0.91 -0.25 -0.01 0.00 -0.00 0.00 0.00 27.41 28.05 1tuy h HIS 184 CO 0.07 0.95 -0.74 -0.22 -0.00 0.00 0.00 177.93 177.99 1tuy h LYS 185 N 0.80 0.14 0.12 2.45 3.64 -1.02 -2.72 116.57 119.98 1tuy h LYS 185 Ca 0.13 -0.13 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 1tuy h LYS 185 Cb 0.64 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.49 1tuy h LYS 185 CO 0.04 0.82 -0.06 -0.92 -2.27 0.00 0.00 179.45 177.06 1tuy h TYR 186 N 0.09 -0.15 -0.11 1.91 3.20 -1.12 -2.60 116.97 118.19 1tuy h TYR 186 Ca -0.02 -0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.78 1tuy h TYR 186 Cb 1.30 0.05 -0.01 0.00 1.54 0.00 0.00 36.73 39.61 1tuy h TYR 186 CO 0.02 0.20 -0.25 -0.39 -1.64 0.00 0.00 178.16 176.10 1tuy h VAL 187 N -0.52 1.23 0.03 1.81 -1.51 -1.59 -2.31 116.25 113.39 1tuy h VAL 187 Ca -0.02 -1.06 0.01 0.00 -1.23 0.00 0.00 66.70 64.40 1tuy h VAL 187 Cb 0.42 1.42 -0.01 0.00 -2.13 0.00 0.00 31.29 30.99 1tuy h VAL 187 CO 0.03 0.32 -0.06 0.00 -1.23 0.00 0.00 177.57 176.63 1tuy h ALA 188 N 1.57 -0.09 -0.78 5.19 0.00 -1.39 0.35 119.26 124.11 1tuy h ALA 188 Ca 0.03 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.95 1tuy h ALA 188 Cb 0.54 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.39 1tuy h ALA 188 CO 0.04 -0.57 0.52 0.93 0.00 0.00 0.00 179.25 180.17 1tuy h GLU 189 N -0.13 1.00 0.05 0.00 5.08 -1.20 -1.81 114.58 117.58 1tuy h GLU 189 Ca 0.01 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1tuy h GLU 189 Cb 0.14 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.16 1tuy h GLU 189 CO -0.04 0.66 -0.03 0.00 -1.00 0.00 0.00 179.01 178.61 1tuy h ARG 190 N 1.03 -0.07 -0.55 2.33 2.47 -0.83 -2.85 114.38 115.92 1tuy h ARG 190 Ca 0.29 0.00 0.08 0.00 -1.26 0.00 0.00 59.98 59.10 1tuy h ARG 190 Cb -0.08 0.02 -0.06 0.00 -1.65 0.00 0.00 29.97 28.19 1tuy h ARG 190 CO -0.07 0.22 0.19 0.00 0.56 0.00 0.00 179.97 180.87 1tuy h ALA 191 N 0.56 0.68 -0.64 0.04 0.00 0.15 -0.50 119.26 119.56 1tuy h ALA 191 Ca -0.01 0.08 0.09 0.00 0.00 0.00 0.00 54.91 55.07 1tuy h ALA 191 Cb 0.32 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 1tuy h ALA 191 CO 0.01 -0.21 0.42 0.00 0.00 0.00 0.00 179.25 179.48 1tuy h ALA 192 N 1.37 1.92 0.15 0.00 0.00 -1.30 0.46 119.26 121.86 1tuy h ALA 192 Ca 0.27 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 1tuy h ALA 192 Cb 0.31 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1tuy h ALA 192 CO -0.28 -0.05 -0.07 -0.07 0.00 0.00 0.00 179.25 178.78 1tuy h LEU 193 N 0.51 -0.17 -1.54 0.00 -0.00 -0.88 -2.71 115.31 110.52 1tuy h LEU 193 Ca 0.29 -0.27 0.00 0.00 -0.00 0.00 0.00 57.88 57.90 1tuy h LEU 193 Cb 0.47 0.04 0.00 0.00 -0.00 0.00 0.00 40.66 41.17 1tuy h LEU 193 CO -0.09 0.19 0.00 0.24 -0.00 0.00 0.00 178.44 178.79 1tuy h MET 194 N -0.55 0.00 -0.00 1.13 2.86 -0.53 0.54 114.93 118.37 1tuy h MET 194 Ca -0.02 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 1tuy h MET 194 Cb 0.43 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.09 1tuy h MET 194 CO 0.03 0.00 -0.32 1.28 1.06 0.00 0.00 176.91 178.96 1tuy n LEU 195 N -2.48 0.56 -2.51 1.22 4.77 0.07 -4.94 117.00 113.68 1tuy n LEU 195 Ca -0.01 -0.00 -0.20 0.00 -0.03 0.00 0.00 56.01 55.78 1tuy n LEU 195 Cb 0.11 -0.24 0.02 0.00 -2.33 0.00 0.00 43.42 40.98 1tuy n LEU 195 CO 0.16 0.12 -0.09 0.61 -1.33 0.00 0.00 177.39 176.86 1tuy n GLY 196 N 1.43 -0.40 3.15 -0.72 0.00 0.19 -5.00 105.19 103.84 1tuy n GLY 196 Ca 0.09 -0.01 -0.08 0.00 0.00 0.00 0.00 46.02 46.01 1tuy n GLY 196 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1tuy s LYS 197 N -5.35 0.72 0.42 1.61 1.02 -1.08 -5.07 119.74 112.01 1tuy s LYS 197 Ca 0.18 -0.99 -0.26 0.00 0.02 0.00 0.00 55.97 54.92 1tuy s LYS 197 Cb -0.08 0.28 -0.09 0.00 -0.52 0.00 0.00 37.83 37.42 1tuy s LYS 197 CO 0.22 -0.19 1.43 -2.14 -0.92 0.00 0.00 175.35 173.74 1tuy s PRO 198 N -3.60 3.88 0.49 -1.68 0.02 -1.26 -4.48 135.00 128.37 1tuy s PRO 198 Ca 0.03 2.44 0.24 0.00 0.02 0.00 0.00 61.00 63.73 1tuy s PRO 198 Cb 0.04 -2.79 1.29 0.00 0.02 0.00 0.00 34.50 33.07 1tuy s PRO 198 CO -0.09 -0.67 1.91 0.00 -0.33 0.00 0.00 177.00 177.82 1tuy h ALA 199 N 2.62 2.48 -0.31 -1.55 0.00 -1.95 -0.53 119.26 120.02 1tuy h ALA 199 Ca -0.51 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 54.45 1tuy h ALA 199 Cb 1.25 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.04 1tuy h ALA 199 CO 0.62 -0.71 0.21 0.93 0.00 0.00 0.00 179.25 180.31 1tuy h GLU 200 N 0.17 0.15 -0.99 0.00 3.07 -1.89 -2.54 114.58 112.56 1tuy h GLU 200 Ca 0.39 -0.01 -0.64 0.00 -0.50 0.00 0.00 59.36 58.60 1tuy h GLU 200 Cb 1.26 -0.03 -0.34 0.00 -0.84 0.00 0.00 28.75 28.79 1tuy h GLU 200 CO -0.07 0.10 0.22 -0.85 -1.40 0.00 0.00 179.01 177.01 1tuy n GLU 201 N -4.48 3.05 -4.20 2.33 0.28 -0.21 -4.24 120.64 113.18 1tuy n GLU 201 Ca 0.04 -3.66 -0.17 0.00 -0.16 0.00 0.00 57.16 53.21 1tuy n GLU 201 Cb 0.28 -2.28 -0.15 0.00 1.43 0.00 0.00 31.44 30.72 1tuy n GLU 201 CO 0.00 0.00 0.00 0.95 -0.16 0.00 0.00 177.13 177.92 1tuy s THR 202 N -4.79 0.48 -0.35 3.84 -4.23 -0.96 -4.90 115.64 104.73 1tuy s THR 202 Ca 0.59 -0.24 0.01 0.00 -1.18 0.00 0.00 61.69 60.86 1tuy s THR 202 Cb 0.47 -0.42 0.09 0.00 1.34 0.00 0.00 72.50 73.98 1tuy s THR 202 CO -0.02 0.14 0.08 -0.54 -0.54 0.00 0.00 174.62 173.74 1tuy s LYS 203 N -0.03 1.86 0.05 3.99 1.02 -1.26 -1.58 119.74 123.78 1tuy s LYS 203 Ca 0.01 -1.72 0.08 0.00 0.02 0.00 0.00 55.97 54.36 1tuy s LYS 203 Cb -0.04 -3.29 -0.03 0.00 -0.52 0.00 0.00 37.83 33.95 1tuy s LYS 203 CO -0.00 -0.90 -0.21 0.42 -0.92 0.00 0.00 175.35 173.74 1tuy s ILE 204 N 1.05 2.56 -0.33 2.17 1.01 0.04 -0.17 121.20 127.52 1tuy s ILE 204 Ca 0.06 -1.28 -0.07 0.00 0.00 0.00 0.00 60.65 59.36 1tuy s ILE 204 Cb -0.20 -2.05 0.03 0.00 0.01 0.00 0.00 42.46 40.24 1tuy s ILE 204 CO -0.06 0.34 0.12 -0.63 0.00 0.00 0.00 174.94 174.71 1tuy s ILE 205 N -0.89 4.00 -0.15 2.92 1.01 -0.70 0.70 121.20 128.10 1tuy s ILE 205 Ca 0.14 -0.96 -0.14 0.00 0.00 0.00 0.00 60.65 59.69 1tuy s ILE 205 Cb -0.10 -3.21 -0.05 0.00 0.01 0.00 0.00 42.46 39.11 1tuy s ILE 205 CO 0.04 -0.12 0.30 0.42 0.00 0.00 0.00 174.94 175.58 1tuy s THR 206 N 1.46 5.29 -0.29 2.92 -4.23 0.38 -1.28 115.64 119.90 1tuy s THR 206 Ca 0.00 0.58 -0.00 0.00 -1.18 0.00 0.00 61.69 61.09 1tuy s THR 206 Cb -0.19 -3.64 0.06 0.00 1.34 0.00 0.00 72.50 70.07 1tuy s THR 206 CO 0.04 0.40 -0.03 0.00 -0.54 0.00 0.00 174.62 174.48 1tuy s HIS 208 N 1.19 3.17 -0.41 0.00 2.46 -0.15 -1.12 115.29 120.42 1tuy s HIS 208 Ca -0.06 -0.81 -0.04 0.00 0.47 0.00 0.00 55.06 54.62 1tuy s HIS 208 Cb -0.20 -3.36 0.11 0.00 -0.13 0.00 0.00 32.58 29.00 1tuy s HIS 208 CO -0.03 -0.91 0.21 -0.51 -2.47 0.00 0.00 174.74 171.04 1tuy s LEU 209 N 2.03 5.24 0.00 8.88 1.43 -0.60 -0.44 118.68 135.22 1tuy s LEU 209 Ca 0.08 -1.97 0.00 0.00 -1.03 0.00 0.00 54.13 51.21 1tuy s LEU 209 Cb -0.23 -1.85 0.00 0.00 0.03 0.00 0.00 46.19 44.14 1tuy s LEU 209 CO 0.08 -0.55 0.00 0.61 0.23 0.00 0.00 176.35 176.73 1tuy n GLY 210 N 4.64 5.60 0.18 -3.19 0.00 -1.26 -0.03 105.19 111.13 1tuy n GLY 210 Ca -0.04 -1.05 0.06 0.00 0.00 0.00 0.00 46.02 44.99 1tuy n GLY 210 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1tuy h ASN 211 N 0.00 0.00 -3.22 1.61 -1.24 -1.96 -3.39 115.58 107.38 1tuy h ASN 211 Ca 0.00 0.00 -0.54 0.00 0.71 0.00 0.00 56.30 56.47 1tuy h ASN 211 Cb 0.00 0.00 -0.36 0.00 0.73 0.00 0.00 38.32 38.69 1tuy h ASN 211 CO 0.00 0.37 -0.81 -0.83 -1.29 0.00 0.00 177.43 174.87 1tuy s GLY 212 N -4.37 0.89 0.19 1.57 0.00 -1.26 -1.15 107.32 103.19 1tuy s GLY 212 Ca 0.01 -0.60 0.07 0.00 0.00 0.00 0.00 44.72 44.21 1tuy s GLY 212 CO 0.69 0.60 0.02 -0.56 0.00 0.00 0.00 173.10 173.85 1tuy s SER 213 N 1.43 4.85 -0.19 1.64 0.01 -1.26 -4.72 113.70 115.47 1tuy s SER 213 Ca 0.01 -0.40 -0.15 0.00 1.31 0.00 0.00 55.95 56.72 1tuy s SER 213 Cb -0.13 -1.05 0.05 0.00 0.21 0.00 0.00 66.02 65.10 1tuy s SER 213 CO -0.06 0.07 0.49 -0.55 0.41 0.00 0.00 173.24 173.60 1tuy s SER 214 N -3.12 -0.56 0.05 2.44 0.15 0.42 -4.58 113.70 108.49 1tuy s SER 214 Ca 0.29 1.03 0.04 0.00 0.70 0.00 0.00 55.95 58.01 1tuy s SER 214 Cb -0.09 0.99 -0.04 0.00 -1.71 0.00 0.00 66.02 65.17 1tuy s SER 214 CO 0.20 -0.19 -0.04 -0.63 1.20 0.00 0.00 173.24 173.78 1tuy s ILE 215 N 0.73 3.78 0.00 6.45 -1.09 -1.26 -0.98 121.20 128.83 1tuy s ILE 215 Ca -0.04 -0.91 0.00 0.00 -2.23 0.00 0.00 60.65 57.48 1tuy s ILE 215 Cb -0.05 -2.72 -0.01 0.00 -1.58 0.00 0.00 42.46 38.10 1tuy s ILE 215 CO -0.05 0.25 -0.01 -0.89 -1.23 0.00 0.00 174.94 173.01 1tuy s THR 216 N -1.15 0.06 -0.40 2.92 2.01 -0.12 0.43 115.64 119.40 1tuy s THR 216 Ca 0.21 -0.23 -0.16 0.00 0.31 0.00 0.00 61.69 61.82 1tuy s THR 216 Cb -0.11 -0.10 0.01 0.00 0.01 0.00 0.00 72.50 72.31 1tuy s THR 216 CO 0.12 -0.11 0.38 0.00 -0.69 0.00 0.00 174.62 174.32 1tuy s ALA 217 N -0.35 3.46 -0.47 7.40 0.00 0.01 -0.47 121.76 131.34 1tuy s ALA 217 Ca -0.03 -1.50 -0.10 0.00 0.00 0.00 0.00 51.96 50.33 1tuy s ALA 217 Cb -0.02 -2.94 0.12 0.00 0.00 0.00 0.00 23.12 20.27 1tuy s ALA 217 CO -0.00 -1.42 0.35 0.08 0.00 0.00 0.00 175.76 174.77 1tuy s VAL 218 N 1.97 4.29 -0.23 0.00 1.01 0.22 -1.64 120.40 126.01 1tuy s VAL 218 Ca 0.10 -1.73 -0.09 0.00 0.00 0.00 0.00 61.98 60.26 1tuy s VAL 218 Cb -0.17 -3.80 -0.05 0.00 0.00 0.00 0.00 36.38 32.36 1tuy s VAL 218 CO 0.12 -0.76 0.13 -0.70 0.00 0.00 0.00 175.10 173.89 1tuy s GLU 219 N 1.39 3.99 -1.43 2.72 2.12 -0.31 -0.78 118.70 126.39 1tuy s GLU 219 Ca 0.05 -0.32 -0.10 0.00 0.36 0.00 0.00 54.97 54.97 1tuy s GLU 219 Cb -0.26 -3.45 0.07 0.00 0.26 0.00 0.00 34.13 30.75 1tuy s GLU 219 CO -0.00 0.06 0.69 0.41 -0.54 0.00 0.00 175.26 175.88 1tuy n GLY 220 N 4.25 -0.50 2.28 -1.50 0.00 -0.62 -1.04 105.19 108.06 1tuy n GLY 220 Ca -0.15 0.14 -0.07 0.00 0.00 0.00 0.00 46.02 45.93 1tuy n GLY 220 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1tuy n GLY 221 N -1.43 0.91 3.08 -0.02 0.00 -1.17 -4.48 105.19 102.09 1tuy n GLY 221 Ca -0.01 -0.54 -0.19 0.00 0.00 0.00 0.00 46.02 45.28 1tuy n GLY 221 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1tuy s LYS 222 N -2.38 0.81 0.02 1.61 -2.85 -0.21 -5.06 119.74 111.68 1tuy s LYS 222 Ca 0.00 -0.56 -0.30 0.00 -1.00 0.00 0.00 55.97 54.10 1tuy s LYS 222 Cb 0.00 -0.77 -0.06 0.00 -2.06 0.00 0.00 37.83 34.94 1tuy s LYS 222 CO 0.00 0.20 1.39 0.45 0.10 0.00 0.00 175.35 177.48 1tuy s SER 223 N -0.77 6.86 -0.01 0.03 0.15 -1.26 -1.16 113.70 117.54 1tuy s SER 223 Ca 0.01 2.14 0.04 0.00 0.70 0.00 0.00 55.95 58.84 1tuy s SER 223 Cb -0.06 -2.57 -0.07 0.00 -1.71 0.00 0.00 66.02 61.61 1tuy s SER 223 CO 0.00 -0.69 0.10 0.52 1.20 0.00 0.00 173.24 174.37 1tuy n VAL 224 N 4.51 0.01 -3.53 4.45 0.31 -0.65 -3.26 118.33 120.17 1tuy n VAL 224 Ca 0.13 -0.10 -0.18 0.00 -0.01 0.00 0.00 64.34 64.18 1tuy n VAL 224 Cb 0.44 0.36 -0.06 0.00 -0.91 0.00 0.00 33.84 33.67 1tuy n VAL 224 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 1tuy s GLU 225 N -2.31 1.05 -0.10 5.55 2.56 -1.22 -4.41 118.70 119.82 1tuy s GLU 225 Ca -0.02 0.21 -0.16 0.00 0.00 0.00 0.00 54.97 55.00 1tuy s GLU 225 Cb 0.03 0.50 0.04 0.00 2.00 0.00 0.00 34.13 36.69 1tuy s GLU 225 CO 0.19 -0.33 0.41 -0.08 -0.56 0.00 0.00 175.26 174.88 1tuy s THR 226 N -1.31 0.02 0.38 -1.70 -1.32 -1.26 -0.81 115.64 109.64 1tuy s THR 226 Ca -0.11 -0.16 0.11 0.00 -1.21 0.00 0.00 61.69 60.32 1tuy s THR 226 Cb -0.00 -0.64 0.13 0.00 -1.51 0.00 0.00 72.50 70.48 1tuy s THR 226 CO 0.09 -0.09 1.88 0.77 -2.21 0.00 0.00 174.62 175.06 1tuy h SER 227 N 4.68 0.12 -3.17 8.08 4.64 -0.38 -3.44 113.55 124.08 1tuy h SER 227 Ca -0.28 -0.03 -0.46 0.00 -0.47 0.00 0.00 61.79 60.55 1tuy h SER 227 Cb 1.18 -0.03 0.05 0.00 -0.31 0.00 0.00 62.40 63.28 1tuy h SER 227 CO 0.31 0.37 0.06 -0.04 -0.87 0.00 0.00 176.83 176.66 1tuy s MET 228 N -4.49 2.78 0.00 4.77 -1.94 -1.21 -3.05 119.30 116.15 1tuy s MET 228 Ca -0.04 -0.34 0.00 0.00 -1.71 0.00 0.00 55.69 53.60 1tuy s MET 228 Cb 0.15 -2.38 0.00 0.00 2.01 0.00 0.00 34.83 34.61 1tuy s MET 228 CO 0.73 -0.66 0.00 0.41 -0.01 0.00 0.00 175.02 175.49 1tuy n GLY 229 N -2.44 4.05 0.24 -0.03 0.00 -1.26 -3.91 105.19 101.84 1tuy n GLY 229 Ca 0.05 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.57 1tuy n GLY 229 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1tuy h PHE 230 N 0.00 -0.18 -3.05 1.61 3.57 -1.88 -1.96 116.94 115.05 1tuy h PHE 230 Ca 0.00 0.05 -0.44 0.00 3.53 0.00 0.00 57.97 61.11 1tuy h PHE 230 Cb 0.00 0.17 -0.14 0.00 2.79 0.00 0.00 35.95 38.78 1tuy h PHE 230 CO 0.00 -0.22 -0.62 0.95 -2.23 0.00 0.00 178.31 176.19 1tuy s THR 231 N -6.19 1.09 -1.55 4.41 -4.23 -1.26 -4.71 115.64 103.21 1tuy s THR 231 Ca -0.14 -2.01 0.08 0.00 -1.18 0.00 0.00 61.69 58.44 1tuy s THR 231 Cb 0.19 -2.70 0.16 0.00 1.34 0.00 0.00 72.50 71.49 1tuy s THR 231 CO 0.74 -0.05 1.09 -2.65 -0.54 0.00 0.00 174.62 173.21 1tuy n PRO 232 N -0.61 0.15 0.08 3.99 -0.02 -1.26 -2.94 135.00 134.39 1tuy n PRO 232 Ca -0.02 0.17 -0.06 0.00 -2.02 0.00 0.00 63.50 61.56 1tuy n PRO 232 Cb 0.66 -1.50 0.08 0.00 -0.02 0.00 0.00 33.50 32.72 1tuy n PRO 232 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1tuy h LEU 233 N 0.00 0.27 -9.73 2.45 5.85 -1.95 -3.45 115.31 108.76 1tuy h LEU 233 Ca 0.00 -0.18 -0.52 0.00 0.84 0.00 0.00 57.88 58.02 1tuy h LEU 233 Cb 0.06 -0.08 0.03 0.00 0.37 0.00 0.00 40.66 41.04 1tuy h LEU 233 CO 0.00 0.88 0.59 -0.70 -0.34 0.00 0.00 178.44 178.87 1tuy s GLU 234 N -3.59 4.46 0.00 1.25 2.12 -1.15 -3.27 118.70 118.52 1tuy s GLU 234 Ca -0.04 1.98 0.00 0.00 0.36 0.00 0.00 54.97 57.27 1tuy s GLU 234 Cb 0.11 -3.19 0.00 0.00 0.26 0.00 0.00 34.13 31.32 1tuy s GLU 234 CO 0.81 -0.11 0.00 0.41 -0.54 0.00 0.00 175.26 175.83 1tuy n GLY 235 N 1.85 0.21 3.81 -1.50 0.00 -1.17 -3.36 105.19 105.02 1tuy n GLY 235 Ca 0.03 -1.49 -0.31 0.00 0.00 0.00 0.00 46.02 44.26 1tuy n GLY 235 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1tuy s LEU 236 N 0.00 3.10 0.23 0.99 1.43 -1.26 -2.05 118.68 121.11 1tuy s LEU 236 Ca 0.00 1.65 -0.29 0.00 -1.03 0.00 0.00 54.13 54.46 1tuy s LEU 236 Cb 0.00 -4.48 -0.09 0.00 0.03 0.00 0.00 46.19 41.65 1tuy s LEU 236 CO 0.00 -1.57 0.92 0.00 0.23 0.00 0.00 176.35 175.92 1tuy s ALA 237 N -3.02 3.35 0.00 4.21 0.00 -1.26 -4.04 121.76 121.00 1tuy s ALA 237 Ca 0.59 0.58 0.00 0.00 0.00 0.00 0.00 51.96 53.12 1tuy s ALA 237 Cb -0.15 -3.17 0.00 0.00 0.00 0.00 0.00 23.12 19.80 1tuy s ALA 237 CO 0.55 0.22 0.00 0.00 0.00 0.00 0.00 175.76 176.53 1tuy n MET 238 N 1.46 0.60 -0.39 0.00 0.00 -0.90 -4.85 117.12 113.05 1tuy n MET 238 Ca -0.02 0.00 -0.05 0.00 0.00 0.00 0.00 57.70 57.63 1tuy n MET 238 Cb 0.47 0.00 -0.01 0.00 0.00 0.00 0.00 33.22 33.68 1tuy n MET 238 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1tuy n GLY 239 N 0.79 -2.20 0.00 3.17 0.00 -0.30 -1.23 105.19 105.41 1tuy n GLY 239 Ca 0.00 1.11 0.00 0.00 0.00 0.00 0.00 46.02 47.13 1tuy n GLY 239 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1tuy n THR 240 N -5.34 0.02 -3.40 2.61 -2.24 -1.26 -1.88 114.28 102.79 1tuy n THR 240 Ca 0.07 -0.09 -0.38 0.00 -2.27 0.00 0.00 64.05 61.38 1tuy n THR 240 Cb 0.33 1.71 -0.06 0.00 -2.10 0.00 0.00 70.33 70.21 1tuy n THR 240 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1tuy s ARG 241 N -0.02 4.03 0.13 -0.78 0.52 -1.25 -1.18 118.95 120.40 1tuy s ARG 241 Ca 0.00 0.54 -0.07 0.00 -0.52 0.00 0.00 55.73 55.67 1tuy s ARG 241 Cb 0.00 -3.19 -0.08 0.00 0.52 0.00 0.00 34.95 32.20 1tuy s ARG 241 CO 0.00 0.64 1.34 0.00 0.02 0.00 0.00 175.30 177.30 1tuy n GLY 243 N 0.73 -1.69 3.56 0.00 0.00 -1.20 -4.38 105.19 102.21 1tuy n GLY 243 Ca -0.07 -1.63 -0.39 0.00 0.00 0.00 0.00 46.02 43.94 1tuy n GLY 243 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1tuy s SER 244 N -4.00 6.23 0.17 1.61 0.01 -0.87 -4.65 113.70 112.20 1tuy s SER 244 Ca 0.00 -1.21 0.03 0.00 1.31 0.00 0.00 55.95 56.08 1tuy s SER 244 Cb 0.00 -2.57 0.03 0.00 0.21 0.00 0.00 66.02 63.69 1tuy s SER 244 CO 0.00 -1.75 0.23 2.30 0.41 0.00 0.00 173.24 174.43 1tuy n ILE 245 N 7.01 0.00 -2.37 1.44 -5.35 -1.26 -4.97 119.36 113.86 1tuy n ILE 245 Ca 0.31 -0.57 -0.43 0.00 -0.27 0.00 0.00 62.75 61.80 1tuy n ILE 245 Cb 0.50 -0.84 -0.02 0.00 -1.74 0.00 0.00 39.64 37.53 1tuy n ILE 245 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 1tuy s ASP 246 N -2.05 6.49 0.39 7.28 2.15 -1.26 -4.89 116.67 124.78 1tuy s ASP 246 Ca 0.18 1.05 0.23 0.00 0.43 0.00 0.00 52.55 54.43 1tuy s ASP 246 Cb -0.01 -2.54 1.33 0.00 -0.30 0.00 0.00 42.92 41.40 1tuy s ASP 246 CO 0.11 -1.26 1.60 -0.65 -0.17 0.00 0.00 175.17 174.80 1tuy h PRO 247 N 10.07 0.08 0.00 4.34 0.11 -1.99 0.70 132.00 145.30 1tuy h PRO 247 Ca -0.27 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.83 1tuy h PRO 247 Cb 1.10 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 1tuy h PRO 247 CO 1.06 0.05 -0.03 0.00 -0.21 0.00 0.00 178.00 178.87 1tuy h ALA 248 N 1.85 1.62 -0.47 -0.75 0.00 -2.02 -0.33 119.26 119.16 1tuy h ALA 248 Ca 0.83 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.68 1tuy h ALA 248 Cb 2.26 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 20.03 1tuy h ALA 248 CO -0.64 0.04 0.16 0.82 0.00 0.00 0.00 179.25 179.62 1tuy h ILE 249 N 0.00 1.19 0.19 0.00 2.04 0.03 -2.33 117.51 118.62 1tuy h ILE 249 Ca -0.00 -0.62 0.00 0.00 1.00 0.00 0.00 64.86 65.24 1tuy h ILE 249 Cb 0.06 0.66 -0.03 0.00 -0.74 0.00 0.00 36.82 36.78 1tuy h ILE 249 CO 0.00 0.24 -0.37 0.58 0.00 0.00 0.00 178.15 178.60 1tuy h VAL 250 N 0.68 0.00 -0.26 1.67 2.07 -1.15 -1.28 116.25 117.97 1tuy h VAL 250 Ca 0.16 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.65 1tuy h VAL 250 Cb 0.18 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.94 1tuy h VAL 250 CO -0.01 0.00 0.03 1.55 0.02 0.00 0.00 177.57 179.15 1tuy h PRO 251 N -0.60 0.39 0.00 1.57 0.13 -1.68 -2.57 132.00 129.24 1tuy h PRO 251 Ca -0.02 -0.06 0.03 0.00 -0.87 0.00 0.00 66.00 65.08 1tuy h PRO 251 Cb 0.57 -0.07 -0.05 0.00 0.13 0.00 0.00 31.00 31.59 1tuy h PRO 251 CO -0.15 0.40 -0.29 0.35 -0.23 0.00 0.00 178.00 178.08 1tuy h PHE 252 N 0.38 -0.78 -0.17 1.56 3.04 -0.87 -2.02 116.94 118.08 1tuy h PHE 252 Ca 0.09 0.03 0.00 0.00 3.98 0.00 0.00 57.97 62.07 1tuy h PHE 252 Cb 0.22 0.34 -0.01 0.00 2.56 0.00 0.00 35.95 39.06 1tuy h PHE 252 CO 0.01 -0.38 0.10 -0.07 -2.02 0.00 0.00 178.31 175.95 1tuy h LEU 253 N -0.44 0.17 -1.67 0.59 4.07 -1.12 -0.83 115.31 116.08 1tuy h LEU 253 Ca 0.06 -0.00 0.22 0.00 0.08 0.00 0.00 57.88 58.24 1tuy h LEU 253 Cb 0.52 -0.04 -0.06 0.00 1.08 0.00 0.00 40.66 42.17 1tuy h LEU 253 CO -0.24 0.12 0.61 0.24 -1.08 0.00 0.00 178.44 178.09 1tuy h MET 254 N 0.21 0.26 0.10 1.13 2.86 -1.04 0.21 114.93 118.66 1tuy h MET 254 Ca 0.06 -0.02 -0.26 0.00 -2.06 0.00 0.00 59.70 57.43 1tuy h MET 254 Cb -0.01 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.58 1tuy h MET 254 CO -0.03 0.17 -1.35 0.93 1.06 0.00 0.00 176.91 177.70 1tuy h GLU 255 N 0.26 0.21 0.00 1.72 5.08 -0.95 0.75 114.58 121.66 1tuy h GLU 255 Ca 0.46 -0.36 -0.01 0.00 -1.00 0.00 0.00 59.36 58.44 1tuy h GLU 255 Cb 1.35 0.14 -0.00 0.00 0.50 0.00 0.00 28.75 30.73 1tuy h GLU 255 CO -0.13 1.17 -0.04 -0.22 -1.00 0.00 0.00 179.01 178.80 1tuy h LYS 256 N -0.38 0.00 -0.09 2.33 1.63 -0.53 -2.96 116.57 116.57 1tuy h LYS 256 Ca -0.30 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.50 1tuy h LYS 256 Cb 1.70 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.33 1tuy h LYS 256 CO 0.03 0.04 0.00 0.39 -3.45 0.00 0.00 179.45 176.46 1tuy n GLU 257 N -3.17 2.42 -3.79 1.90 -0.58 0.68 -5.02 120.64 113.08 1tuy n GLU 257 Ca -0.00 -1.52 -0.33 0.00 -0.42 0.00 0.00 57.16 54.89 1tuy n GLU 257 Cb 0.29 -1.08 0.02 0.00 -0.57 0.00 0.00 31.44 30.10 1tuy n GLU 257 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1tuy n GLY 258 N -0.12 -1.03 3.89 0.62 0.00 -0.85 -4.97 105.19 102.73 1tuy n GLY 258 Ca 0.03 0.45 -0.22 0.00 0.00 0.00 0.00 46.02 46.29 1tuy n GLY 258 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1tuy s LEU 259 N -6.28 3.22 0.45 0.99 1.43 0.20 -5.03 118.68 113.66 1tuy s LEU 259 Ca 0.34 -0.87 0.06 0.00 -1.03 0.00 0.00 54.13 52.64 1tuy s LEU 259 Cb -0.15 -1.83 -0.02 0.00 0.03 0.00 0.00 46.19 44.21 1tuy s LEU 259 CO 0.90 -0.80 0.24 -0.89 0.23 0.00 0.00 176.35 176.03 1tuy s THR 260 N -2.55 2.11 0.26 5.49 2.01 -1.26 -4.87 115.64 116.81 1tuy s THR 260 Ca 0.46 -1.63 -0.04 0.00 0.31 0.00 0.00 61.69 60.79 1tuy s THR 260 Cb -0.03 -2.74 0.26 0.00 0.01 0.00 0.00 72.50 70.00 1tuy s THR 260 CO 0.27 0.00 1.90 0.71 -0.69 0.00 0.00 174.62 176.81 1tuy h THR 261 N 1.22 1.15 -0.00 -0.82 1.35 -2.00 -1.34 112.91 112.47 1tuy h THR 261 Ca -0.41 -0.42 -0.17 0.00 -0.55 0.00 0.00 66.41 64.86 1tuy h THR 261 Cb 1.27 -0.18 -0.02 0.00 -1.73 0.00 0.00 68.15 67.49 1tuy h THR 261 CO 0.66 0.22 -0.80 0.03 -0.25 0.00 0.00 175.52 175.39 1tuy h ARG 262 N 1.23 0.03 -0.34 4.72 -0.00 -1.99 -2.90 114.38 115.12 1tuy h ARG 262 Ca 0.40 -0.03 -0.13 0.00 -0.50 0.00 0.00 59.98 59.72 1tuy h ARG 262 Cb 0.04 0.01 -0.01 0.00 0.00 0.00 0.00 29.97 30.01 1tuy h ARG 262 CO -0.13 0.81 -0.30 0.93 0.00 0.00 0.00 179.97 181.28 1tuy h GLU 263 N 0.01 0.81 -0.54 0.04 5.08 -1.72 -1.94 114.58 116.32 1tuy h GLU 263 Ca -0.01 -0.41 -0.11 0.00 -1.00 0.00 0.00 59.36 57.82 1tuy h GLU 263 Cb 1.41 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.65 1tuy h GLU 263 CO 0.11 1.04 -0.11 0.97 -1.00 0.00 0.00 179.01 180.02 1tuy h ILE 264 N 0.59 1.27 -0.62 3.13 6.09 -1.33 -2.16 117.51 124.48 1tuy h ILE 264 Ca 0.06 -1.26 -0.04 0.00 -1.37 0.00 0.00 64.86 62.25 1tuy h ILE 264 Cb 0.87 0.97 -0.03 0.00 0.47 0.00 0.00 36.82 39.10 1tuy h ILE 264 CO 0.08 0.45 0.24 -0.78 -3.07 0.00 0.00 178.15 175.06 1tuy h ASP 265 N 0.90 0.86 -0.57 2.19 1.82 -1.45 -1.94 116.42 118.22 1tuy h ASP 265 Ca 0.14 -0.18 -0.04 0.00 -0.39 0.00 0.00 57.03 56.57 1tuy h ASP 265 Cb 0.67 -0.22 -0.02 0.00 0.68 0.00 0.00 39.33 40.43 1tuy h ASP 265 CO 0.05 0.80 0.22 0.74 -1.61 0.00 0.00 179.24 179.44 1tuy h THR 266 N 0.86 1.23 -0.47 2.25 2.02 -1.17 -2.24 112.91 115.39 1tuy h THR 266 Ca 0.20 -0.73 -0.03 0.00 0.77 0.00 0.00 66.41 66.63 1tuy h THR 266 Cb 0.22 0.63 -0.02 0.00 -1.74 0.00 0.00 68.15 67.24 1tuy h THR 266 CO -0.02 0.28 0.17 0.25 0.37 0.00 0.00 175.52 176.58 1tuy h LEU 267 N 0.79 0.62 -0.20 2.58 6.46 -1.13 0.49 115.31 124.92 1tuy h LEU 267 Ca 0.19 -0.07 -0.21 0.00 -0.12 0.00 0.00 57.88 57.67 1tuy h LEU 267 Cb 0.22 -0.16 -0.01 0.00 -0.73 0.00 0.00 40.66 39.98 1tuy h LEU 267 CO -0.01 0.57 -0.93 0.24 -0.62 0.00 0.00 178.44 177.69 1tuy h MET 268 N 0.67 0.16 0.00 1.25 2.86 -1.09 -2.36 114.93 116.43 1tuy h MET 268 Ca 0.16 -0.19 -0.22 0.00 -2.06 0.00 0.00 59.70 57.38 1tuy h MET 268 Cb 0.16 0.06 -0.04 0.00 0.06 0.00 0.00 31.60 31.84 1tuy h MET 268 CO -0.01 0.98 -1.88 0.09 1.06 0.00 0.00 176.91 177.14 1tuy n ASN 269 N -3.59 0.43 -0.03 1.22 3.02 -0.87 -1.42 115.26 114.02 1tuy n ASN 269 Ca -0.03 0.19 -0.05 0.00 -0.03 0.00 0.00 54.58 54.66 1tuy n ASN 269 Cb 0.85 0.72 -0.03 0.00 -0.61 0.00 0.00 39.78 40.70 1tuy n ASN 269 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1tuy n LYS 270 N -2.76 0.17 -0.24 3.52 4.76 0.17 -3.94 118.16 119.84 1tuy n LYS 270 Ca -0.18 0.04 0.08 0.00 -2.87 0.00 0.00 58.31 55.39 1tuy n LYS 270 Cb 0.93 -1.11 0.23 0.00 -1.84 0.00 0.00 35.03 33.24 1tuy n LYS 270 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1tuy n LYS 271 N -2.75 2.13 0.00 1.97 5.02 -1.01 -4.78 118.16 118.75 1tuy n LYS 271 Ca -0.12 -1.76 0.00 0.00 -2.02 0.00 0.00 58.31 54.41 1tuy n LYS 271 Cb 0.63 -1.39 0.00 0.00 -0.02 0.00 0.00 35.03 34.25 1tuy n LYS 271 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1tuy n SER 272 N 0.93 0.00 0.00 4.39 7.64 -0.32 -3.84 113.62 122.41 1tuy n SER 272 Ca 0.17 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.05 1tuy n SER 272 Cb 0.42 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.62 1tuy n SER 272 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1tuy n GLY 273 N 5.00 0.81 0.21 0.23 0.00 -1.07 -1.32 105.19 109.06 1tuy n GLY 273 Ca 0.00 -0.70 0.07 0.00 0.00 0.00 0.00 46.02 45.39 1tuy n GLY 273 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1tuy h VAL 274 N 0.00 0.85 -0.15 1.61 -1.51 -0.88 -2.51 116.25 113.65 1tuy h VAL 274 Ca 0.00 -1.15 -0.00 0.00 -1.23 0.00 0.00 66.70 64.31 1tuy h VAL 274 Cb 0.00 1.70 -0.01 0.00 -2.13 0.00 0.00 31.29 30.85 1tuy h VAL 274 CO 0.00 0.28 0.09 0.25 -1.23 0.00 0.00 177.57 176.96 1tuy h LEU 275 N 0.00 0.18 -0.60 4.19 5.85 -1.17 -0.06 115.31 123.71 1tuy h LEU 275 Ca -0.00 -0.06 -0.04 0.00 0.84 0.00 0.00 57.88 58.63 1tuy h LEU 275 Cb 0.67 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.65 1tuy h LEU 275 CO 0.04 0.19 -0.17 1.23 -0.34 0.00 0.00 178.44 179.38 1tuy h GLY 276 N 0.17 0.00 0.07 3.75 0.00 -1.07 -1.20 103.07 104.80 1tuy h GLY 276 Ca 0.05 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.22 1tuy h GLY 276 CO -0.01 0.00 -0.86 -2.08 0.00 0.00 0.00 176.54 173.59 1tuy h VAL 277 N 0.00 1.22 -0.29 4.60 2.07 -1.19 -3.36 116.25 119.30 1tuy h VAL 277 Ca -0.00 -2.26 -0.13 0.00 0.82 0.00 0.00 66.70 65.12 1tuy h VAL 277 Cb 0.92 2.68 -0.01 0.00 -1.52 0.00 0.00 31.29 33.36 1tuy h VAL 277 CO 0.02 0.46 -0.37 0.77 0.02 0.00 0.00 177.57 178.48 1tuy h SER 278 N -0.91 0.69 0.00 0.57 4.64 -1.13 -3.45 113.55 113.96 1tuy h SER 278 Ca -0.23 -0.30 0.00 0.00 -0.47 0.00 0.00 61.79 60.79 1tuy h SER 278 Cb 1.26 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 1tuy h SER 278 CO -0.11 0.99 0.00 0.61 -0.87 0.00 0.00 176.83 177.46 1tuy n GLY 279 N -0.04 0.81 0.27 -0.77 0.00 -0.45 -4.35 105.19 100.67 1tuy n GLY 279 Ca -0.01 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.93 1tuy n GLY 279 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1tuy n LEU 280 N 0.00 1.74 -3.75 0.99 7.94 -1.26 -5.03 117.00 117.64 1tuy n LEU 280 Ca 0.00 0.29 -0.10 0.00 -1.11 0.00 0.00 56.01 55.09 1tuy n LEU 280 Cb 0.01 -0.66 -0.04 0.00 0.53 0.00 0.00 43.42 43.26 1tuy n LEU 280 CO 0.00 -0.37 0.22 -0.55 -1.11 0.00 0.00 177.39 175.58 1tuy s SER 281 N -5.88 -0.22 -0.06 1.96 0.15 -1.26 -5.02 113.70 103.37 1tuy s SER 281 Ca -0.23 -0.50 0.18 0.00 0.70 0.00 0.00 55.95 56.10 1tuy s SER 281 Cb 0.03 0.55 -0.23 0.00 -1.71 0.00 0.00 66.02 64.66 1tuy s SER 281 CO 0.34 -1.00 0.47 -0.46 1.20 0.00 0.00 173.24 173.79 1tuy n ASN 282 N -0.31 0.36 -4.73 5.45 6.94 -1.26 -3.50 115.26 118.21 1tuy n ASN 282 Ca -0.11 0.16 -0.42 0.00 -0.02 0.00 0.00 54.58 54.20 1tuy n ASN 282 Cb 0.63 0.85 -0.03 0.00 -2.36 0.00 0.00 39.78 38.87 1tuy n ASN 282 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 1tuy s ASP 283 N -5.42 6.88 0.05 0.53 -1.08 -1.26 -4.68 116.67 111.69 1tuy s ASP 283 Ca -0.07 2.36 -0.16 0.00 -0.52 0.00 0.00 52.55 54.17 1tuy s ASP 283 Cb 0.09 -2.60 -0.23 0.00 -1.46 0.00 0.00 42.92 38.71 1tuy s ASP 283 CO 0.84 -0.57 1.15 -0.26 0.52 0.00 0.00 175.17 176.85 1tuy h PHE 284 N 5.91 0.89 -0.89 -5.34 -1.00 -1.98 -2.91 116.94 111.62 1tuy h PHE 284 Ca -0.44 -0.49 0.18 0.00 2.81 0.00 0.00 57.97 60.04 1tuy h PHE 284 Cb 1.21 -0.10 -0.07 0.00 3.61 0.00 0.00 35.95 40.60 1tuy h PHE 284 CO 0.63 1.32 0.58 -0.09 -1.61 0.00 0.00 178.31 179.14 1tuy h ARG 285 N 0.21 0.49 0.02 1.51 2.43 -2.00 0.19 114.38 117.24 1tuy h ARG 285 Ca -0.11 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.03 1tuy h ARG 285 Cb 1.56 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 31.00 1tuy h ARG 285 CO 0.17 0.32 -0.01 -0.44 -1.51 0.00 0.00 179.97 178.51 1tuy h ASP 286 N 0.50 -0.02 -0.55 -3.80 5.19 -1.97 -3.06 116.42 112.71 1tuy h ASP 286 Ca 0.46 -0.49 0.03 0.00 -0.62 0.00 0.00 57.03 56.41 1tuy h ASP 286 Cb 1.00 0.01 -0.03 0.00 0.18 0.00 0.00 39.33 40.49 1tuy h ASP 286 CO -0.19 0.48 0.37 -0.07 -3.12 0.00 0.00 179.24 176.71 1tuy h LEU 287 N -0.53 0.56 -0.50 1.55 3.38 -1.00 -1.42 115.31 117.35 1tuy h LEU 287 Ca -0.00 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1tuy h LEU 287 Cb 0.51 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 1tuy h LEU 287 CO 0.00 0.39 0.27 -0.78 0.09 0.00 0.00 178.44 178.42 1tuy h ASP 288 N 0.65 0.63 0.04 -0.43 3.58 -0.67 0.68 116.42 120.90 1tuy h ASP 288 Ca 0.22 -0.09 -0.00 0.00 0.42 0.00 0.00 57.03 57.57 1tuy h ASP 288 Cb 0.07 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 40.96 1tuy h ASP 288 CO -0.06 0.54 -0.02 -0.33 -2.88 0.00 0.00 179.24 176.50 1tuy h GLU 289 N 0.67 -0.05 -0.99 0.28 5.08 -1.34 -2.42 114.58 115.79 1tuy h GLU 289 Ca 0.18 0.00 0.19 0.00 -1.00 0.00 0.00 59.36 58.73 1tuy h GLU 289 Cb 0.06 0.01 -0.10 0.00 0.50 0.00 0.00 28.75 29.22 1tuy h GLU 289 CO -0.03 0.38 0.61 0.00 -1.00 0.00 0.00 179.01 178.97 1tuy h ALA 290 N 0.42 1.74 0.29 3.43 0.00 -1.16 -0.05 119.26 123.95 1tuy h ALA 290 Ca -0.01 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1tuy h ALA 290 Cb 0.46 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1tuy h ALA 290 CO 0.01 -0.10 -0.14 0.00 0.00 0.00 0.00 179.25 179.02 1tuy h ALA 291 N 1.63 -0.39 0.00 0.00 0.00 -0.78 -0.72 119.26 119.00 1tuy h ALA 291 Ca 0.56 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.33 1tuy h ALA 291 Cb 0.92 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1tuy h ALA 291 CO -0.35 -0.64 0.00 -1.13 0.00 0.00 0.00 179.25 177.14 1tuy n SER 292 N -5.19 0.62 -0.63 0.00 3.41 -0.62 -1.23 113.62 109.98 1tuy n SER 292 Ca -0.10 0.70 0.08 0.00 -0.26 0.00 0.00 58.87 59.29 1tuy n SER 292 Cb 0.22 -0.81 0.27 0.00 -0.26 0.00 0.00 64.21 63.64 1tuy n SER 292 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1tuy n LYS 293 N -2.23 1.81 -0.31 4.33 4.76 -0.13 -4.89 118.16 121.51 1tuy n LYS 293 Ca 0.01 -1.24 0.00 0.00 -2.87 0.00 0.00 58.31 54.21 1tuy n LYS 293 Cb 0.16 -1.35 0.00 0.00 -1.84 0.00 0.00 35.03 32.00 1tuy n LYS 293 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1tuy n GLY 294 N 1.12 0.83 3.58 0.72 0.00 -0.37 -5.03 105.19 106.05 1tuy n GLY 294 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 1tuy n GLY 294 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1tuy s ASN 295 N -2.06 6.06 0.07 1.61 3.84 -0.32 -4.92 114.94 119.23 1tuy s ASN 295 Ca 0.00 0.57 -0.25 0.00 0.21 0.00 0.00 52.86 53.39 1tuy s ASN 295 Cb 0.00 -2.54 -0.11 0.00 -0.55 0.00 0.00 41.25 38.05 1tuy s ASN 295 CO 0.00 -1.71 1.40 0.03 -2.79 0.00 0.00 177.10 174.03 1tuy h ARG 296 N 11.64 -0.55 -0.37 0.43 -0.00 -1.89 -1.18 114.38 122.46 1tuy h ARG 296 Ca -0.28 0.04 0.04 0.00 -0.50 0.00 0.00 59.98 59.28 1tuy h ARG 296 Cb 1.11 0.13 -0.05 0.00 0.00 0.00 0.00 29.97 31.16 1tuy h ARG 296 CO 1.14 -0.37 -0.31 0.87 0.00 0.00 0.00 179.97 181.30 1tuy h LYS 297 N -0.57 -0.11 -0.40 0.04 1.79 -1.88 0.28 116.57 115.73 1tuy h LYS 297 Ca -0.01 0.01 0.08 0.00 -2.18 0.00 0.00 60.65 58.55 1tuy h LYS 297 Cb 0.56 0.02 -0.09 0.00 -1.58 0.00 0.00 32.23 31.15 1tuy h LYS 297 CO -0.19 -0.07 -0.30 0.00 -1.08 0.00 0.00 179.45 177.81 1tuy h ALA 298 N -0.42 -0.12 -0.20 3.86 0.00 -1.74 0.27 119.26 120.91 1tuy h ALA 298 Ca 0.06 0.11 0.05 0.00 0.00 0.00 0.00 54.91 55.14 1tuy h ALA 298 Cb 0.27 0.66 -0.07 0.00 0.00 0.00 0.00 17.79 18.65 1tuy h ALA 298 CO -0.41 -0.69 -0.34 1.49 0.00 0.00 0.00 179.25 179.30 1tuy h GLU 299 N -0.23 -0.37 -0.37 0.00 4.57 -0.13 -1.21 114.58 116.85 1tuy h GLU 299 Ca 0.18 0.02 0.08 0.00 -1.18 0.00 0.00 59.36 58.46 1tuy h GLU 299 Cb 0.52 0.08 -0.08 0.00 -0.16 0.00 0.00 28.75 29.12 1tuy h GLU 299 CO -0.53 -0.24 -0.15 1.25 -1.18 0.00 0.00 179.01 178.16 1tuy h LEU 300 N -0.38 -0.52 -1.03 1.64 5.85 0.57 -1.16 115.31 120.28 1tuy h LEU 300 Ca 0.11 0.13 0.17 0.00 0.84 0.00 0.00 57.88 59.13 1tuy h LEU 300 Cb 0.56 0.30 -0.10 0.00 0.37 0.00 0.00 40.66 41.79 1tuy h LEU 300 CO -0.41 -0.18 0.62 0.00 -0.34 0.00 0.00 178.44 178.12 1tuy h ALA 301 N 1.23 1.64 0.00 1.25 0.00 0.02 0.61 119.26 124.01 1tuy h ALA 301 Ca 0.18 0.06 -0.10 0.00 0.00 0.00 0.00 54.91 55.05 1tuy h ALA 301 Cb 0.36 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1tuy h ALA 301 CO -0.42 0.03 -0.49 -0.07 0.00 0.00 0.00 179.25 178.30 1tuy h LEU 302 N 0.83 0.00 -0.38 0.00 3.38 -0.12 -2.41 115.31 116.61 1tuy h LEU 302 Ca 0.55 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 58.34 1tuy h LEU 302 Cb 0.77 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.51 1tuy h LEU 302 CO -0.33 0.49 -0.59 -0.33 0.09 0.00 0.00 178.44 177.77 1tuy h GLU 303 N 0.00 0.69 0.07 1.13 5.08 -0.14 -1.86 114.58 119.55 1tuy h GLU 303 Ca -0.00 -0.46 -0.00 0.00 -1.00 0.00 0.00 59.36 57.89 1tuy h GLU 303 Cb 0.95 0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.26 1tuy h GLU 303 CO 0.06 1.08 -0.03 0.82 -1.00 0.00 0.00 179.01 179.94 1tuy h ILE 304 N 0.52 1.08 0.20 3.13 2.04 -1.25 -1.04 117.51 122.19 1tuy h ILE 304 Ca 0.00 -0.53 0.01 0.00 1.00 0.00 0.00 64.86 65.34 1tuy h ILE 304 Cb 1.17 1.43 -0.04 0.00 -0.74 0.00 0.00 36.82 38.65 1tuy h ILE 304 CO 0.12 0.13 -0.37 0.15 0.00 0.00 0.00 178.15 178.19 1tuy h PHE 305 N -0.33 -1.01 -0.47 1.37 3.57 -1.41 -0.00 116.94 118.65 1tuy h PHE 305 Ca -0.01 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.51 1tuy h PHE 305 Cb 0.29 0.42 -0.02 0.00 2.79 0.00 0.00 35.95 39.42 1tuy h PHE 305 CO 0.01 -0.48 0.29 0.00 -2.23 0.00 0.00 178.31 175.89 1tuy h ALA 306 N -0.12 0.60 -0.62 2.41 0.00 -1.37 -2.48 119.26 117.68 1tuy h ALA 306 Ca 0.01 -0.05 0.09 0.00 0.00 0.00 0.00 54.91 54.96 1tuy h ALA 306 Cb 0.64 -0.19 -0.07 0.00 0.00 0.00 0.00 17.79 18.18 1tuy h ALA 306 CO -0.17 0.07 0.27 -0.92 0.00 0.00 0.00 179.25 178.50 1tuy h TYR 307 N 0.63 0.47 -0.46 0.00 3.20 -0.88 0.52 116.97 120.45 1tuy h TYR 307 Ca 0.17 0.03 -0.10 0.00 3.14 0.00 0.00 58.73 61.97 1tuy h TYR 307 Cb -0.03 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.10 1tuy h TYR 307 CO -0.03 0.15 -0.11 0.87 -1.64 0.00 0.00 178.16 177.40 1tuy h LYS 308 N 0.48 0.83 -0.53 1.82 1.57 -0.74 0.61 116.57 120.61 1tuy h LYS 308 Ca 0.31 -0.28 -0.08 0.00 -1.87 0.00 0.00 60.65 58.73 1tuy h LYS 308 Cb 0.34 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.56 1tuy h LYS 308 CO -0.27 0.90 0.03 0.28 -0.57 0.00 0.00 179.45 179.82 1tuy h VAL 309 N 0.75 1.26 0.31 0.50 2.07 -0.89 -1.93 116.25 118.32 1tuy h VAL 309 Ca 0.12 -1.05 -0.00 0.00 0.82 0.00 0.00 66.70 66.59 1tuy h VAL 309 Cb 0.61 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 31.26 1tuy h VAL 309 CO 0.04 0.37 -0.27 0.50 0.02 0.00 0.00 177.57 178.23 1tuy h LYS 310 N 0.79 -0.58 -1.01 1.57 3.64 -0.53 -1.48 116.57 118.98 1tuy h LYS 310 Ca 0.15 0.04 0.25 0.00 -1.27 0.00 0.00 60.65 59.83 1tuy h LYS 310 Cb 0.49 0.13 -0.08 0.00 -0.41 0.00 0.00 32.23 32.36 1tuy h LYS 310 CO 0.02 -0.39 0.66 0.87 -2.27 0.00 0.00 179.45 178.34 1tuy h LYS 311 N -0.61 0.36 -0.17 1.90 1.57 -0.67 -0.53 116.57 118.42 1tuy h LYS 311 Ca -0.02 -0.02 -0.18 0.00 -1.87 0.00 0.00 60.65 58.56 1tuy h LYS 311 Cb 0.54 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.77 1tuy h LYS 311 CO -0.03 0.24 -0.62 0.74 -0.57 0.00 0.00 179.45 179.20 1tuy h PHE 312 N 0.37 0.77 -0.83 -1.35 0.04 -0.52 -1.12 116.94 114.29 1tuy h PHE 312 Ca 0.55 -0.30 0.06 0.00 2.80 0.00 0.00 57.97 61.08 1tuy h PHE 312 Cb 1.45 -0.14 -0.05 0.00 2.20 0.00 0.00 35.95 39.42 1tuy h PHE 312 CO -0.00 1.06 0.55 0.82 -0.60 0.00 0.00 178.31 180.13 1tuy h ILE 313 N 0.44 1.08 -0.05 -0.55 1.08 -0.13 0.60 117.51 119.98 1tuy h ILE 313 Ca -0.01 -0.33 -0.09 0.00 -0.39 0.00 0.00 64.86 64.05 1tuy h ILE 313 Cb 1.19 0.04 0.00 0.00 -3.07 0.00 0.00 36.82 34.98 1tuy h ILE 313 CO 0.12 0.17 -0.31 1.23 -0.69 0.00 0.00 178.15 178.67 1tuy h GLY 314 N 0.96 0.33 0.67 5.37 0.00 -1.27 -2.19 103.07 106.94 1tuy h GLY 314 Ca 0.35 -0.48 0.07 0.00 0.00 0.00 0.00 47.33 47.27 1tuy h GLY 314 CO -0.12 0.43 0.49 -2.09 0.00 0.00 0.00 176.54 175.25 1tuy h GLU 315 N -0.24 0.85 -0.00 4.80 4.81 -0.76 -0.04 114.58 124.00 1tuy h GLU 315 Ca -0.03 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 1tuy h GLU 315 Cb 0.99 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 30.18 1tuy h GLU 315 CO 0.06 0.56 -0.10 0.66 -0.73 0.00 0.00 179.01 179.47 1tuy n TYR 316 N -4.68 0.00 0.08 0.92 4.02 0.16 -2.51 117.16 115.15 1tuy n TYR 316 Ca 0.12 0.00 -0.05 0.00 -0.01 0.00 0.00 57.90 57.96 1tuy n TYR 316 Cb 0.20 -0.44 0.12 0.00 -0.02 0.00 0.00 39.34 39.21 1tuy n TYR 316 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 176.86 176.62 1tuy h SER 317 N 0.01 0.28 0.03 7.72 0.02 -0.33 -2.11 113.55 119.16 1tuy h SER 317 Ca 0.00 -0.16 -0.00 0.00 -0.84 0.00 0.00 61.79 60.79 1tuy h SER 317 Cb 0.49 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.95 1tuy h SER 317 CO 0.00 0.81 -0.01 0.00 -1.14 0.00 0.00 176.83 176.48 1tuy h ALA 318 N 1.20 -0.04 -1.13 3.77 0.00 -1.32 -0.87 119.26 120.86 1tuy h ALA 318 Ca -0.00 -0.35 0.32 0.00 0.00 0.00 0.00 54.91 54.88 1tuy h ALA 318 Cb 1.09 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.83 1tuy h ALA 318 CO 0.09 -0.09 0.79 0.28 0.00 0.00 0.00 179.25 180.32 1tuy h VAL 319 N -0.90 0.44 -0.48 0.00 2.07 -1.46 0.23 116.25 116.15 1tuy h VAL 319 Ca -0.00 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.47 1tuy h VAL 319 Cb 0.71 0.29 0.00 0.00 -1.52 0.00 0.00 31.29 30.77 1tuy h VAL 319 CO 0.01 0.02 0.00 0.18 0.02 0.00 0.00 177.57 177.80 1tuy n LEU 320 N -4.35 3.28 -3.93 2.57 4.77 -0.80 -5.00 117.00 113.53 1tuy n LEU 320 Ca 0.26 -2.00 -0.39 0.00 -0.03 0.00 0.00 56.01 53.85 1tuy n LEU 320 Cb 1.12 -0.32 0.02 0.00 -2.33 0.00 0.00 43.42 41.91 1tuy n LEU 320 CO 0.35 0.82 -0.16 -3.20 -1.33 0.00 0.00 177.39 173.87 1tuy n ASN 321 N 0.90 -4.58 0.00 -1.43 5.15 0.82 -4.61 115.26 111.50 1tuy n ASN 321 Ca 0.16 -1.15 0.00 0.00 -0.60 0.00 0.00 54.58 52.98 1tuy n ASN 321 Cb 0.49 -2.02 0.00 0.00 -0.53 0.00 0.00 39.78 37.72 1tuy n ASN 321 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1tuy n GLY 322 N -1.93 1.58 3.26 8.20 0.00 -0.38 -5.04 105.19 110.88 1tuy n GLY 322 Ca -0.15 -1.41 -0.32 0.00 0.00 0.00 0.00 46.02 44.14 1tuy n GLY 322 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tuy s ALA 323 N -0.30 2.21 0.11 4.61 0.00 -1.26 -4.90 121.76 122.23 1tuy s ALA 323 Ca 0.00 -1.00 -0.05 0.00 0.00 0.00 0.00 51.96 50.90 1tuy s ALA 323 Cb 0.00 -0.78 -0.16 0.00 0.00 0.00 0.00 23.12 22.18 1tuy s ALA 323 CO 0.00 0.35 1.24 -0.44 0.00 0.00 0.00 175.76 176.92 1tuy h ASP 324 N 6.39 0.55 -5.06 0.00 3.32 -0.94 -3.45 116.42 117.22 1tuy h ASP 324 Ca -0.26 -0.48 -0.05 0.00 0.02 0.00 0.00 57.03 56.27 1tuy h ASP 324 Cb 1.21 -0.17 -0.13 0.00 0.22 0.00 0.00 39.33 40.46 1tuy h ASP 324 CO 0.48 1.30 -0.02 0.00 -1.72 0.00 0.00 179.24 179.27 1tuy s ALA 325 N -3.10 -1.06 -0.05 3.45 0.00 -1.21 -2.30 121.76 117.50 1tuy s ALA 325 Ca -0.06 0.07 0.05 0.00 0.00 0.00 0.00 51.96 52.02 1tuy s ALA 325 Cb 0.08 0.71 -0.01 0.00 0.00 0.00 0.00 23.12 23.90 1tuy s ALA 325 CO 0.88 -0.66 -0.22 0.08 0.00 0.00 0.00 175.76 175.85 1tuy s VAL 326 N -3.73 1.77 -0.03 0.00 1.01 -0.08 -1.72 120.40 117.61 1tuy s VAL 326 Ca 0.02 -0.91 0.07 0.00 0.00 0.00 0.00 61.98 61.16 1tuy s VAL 326 Cb 0.01 -1.50 -0.02 0.00 0.00 0.00 0.00 36.38 34.88 1tuy s VAL 326 CO -0.12 0.50 -0.25 -0.69 0.00 0.00 0.00 175.10 174.54 1tuy s VAL 327 N -0.12 1.98 -0.15 2.92 1.01 -0.40 -0.26 120.40 125.36 1tuy s VAL 327 Ca -0.02 -1.05 0.02 0.00 0.00 0.00 0.00 61.98 60.93 1tuy s VAL 327 Cb -0.12 -1.65 0.01 0.00 0.00 0.00 0.00 36.38 34.62 1tuy s VAL 327 CO 0.03 0.56 -0.21 -0.36 0.00 0.00 0.00 175.10 175.11 1tuy s PHE 328 N -0.41 2.71 0.17 5.22 0.08 -0.63 -0.35 117.98 124.77 1tuy s PHE 328 Ca 0.04 -1.43 0.03 0.00 0.12 0.00 0.00 56.93 55.70 1tuy s PHE 328 Cb -0.11 -1.85 -0.01 0.00 -0.57 0.00 0.00 43.02 40.47 1tuy s PHE 328 CO 0.01 -0.67 0.16 -2.37 -0.10 0.00 0.00 175.22 172.25 1tuy n THR 329 N 4.25 0.00 -0.23 0.64 5.66 -0.27 -2.50 114.28 121.82 1tuy n THR 329 Ca -0.20 -1.22 0.03 0.00 -3.05 0.00 0.00 64.05 59.61 1tuy n THR 329 Cb 0.51 0.62 -0.01 0.00 -1.55 0.00 0.00 70.33 69.90 1tuy n THR 329 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1tuy n ALA 330 N -1.82 -0.59 -0.27 1.79 0.00 -1.26 -1.56 120.51 116.79 1tuy n ALA 330 Ca -0.06 0.08 -0.01 0.00 0.00 0.00 0.00 53.44 53.45 1tuy n ALA 330 Cb 0.31 -0.21 0.05 0.00 0.00 0.00 0.00 19.45 19.60 1tuy n ALA 330 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1tuy h GLY 331 N -0.21 0.22 0.31 0.00 0.00 -1.91 0.14 103.07 101.61 1tuy h GLY 331 Ca -0.00 0.38 -0.00 0.00 0.00 0.00 0.00 47.33 47.71 1tuy h GLY 331 CO 0.00 -0.25 -0.01 -2.22 0.00 0.00 0.00 176.54 174.06 1tuy h ILE 332 N -0.06 1.41 0.00 2.60 2.04 -0.69 -2.84 117.51 119.97 1tuy h ILE 332 Ca 0.32 -1.54 -0.00 0.00 1.00 0.00 0.00 64.86 64.64 1tuy h ILE 332 Cb 0.58 2.42 -0.00 0.00 -0.74 0.00 0.00 36.82 39.07 1tuy h ILE 332 CO -0.80 0.38 -0.00 1.23 0.00 0.00 0.00 178.15 178.96 1tuy h GLY 333 N -0.73 0.00 0.32 5.37 0.00 -1.39 -1.40 103.07 105.24 1tuy h GLY 333 Ca -0.00 0.00 -0.37 0.00 0.00 0.00 0.00 47.33 46.96 1tuy h GLY 333 CO 0.01 0.00 -2.22 1.18 0.00 0.00 0.00 176.54 175.51 1tuy n GLU 334 N -3.24 0.69 0.00 4.80 1.02 0.47 -4.33 120.64 120.04 1tuy n GLU 334 Ca -0.03 0.18 0.06 0.00 -0.02 0.00 0.00 57.16 57.36 1tuy n GLU 334 Cb 0.09 -1.61 -0.05 0.00 -0.02 0.00 0.00 31.44 29.85 1tuy n GLU 334 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1tuy n ASN 335 N -3.23 0.94 -4.18 1.62 3.02 -1.07 -3.52 115.26 108.84 1tuy n ASN 335 Ca -0.36 -0.97 -0.40 0.00 -0.03 0.00 0.00 54.58 52.82 1tuy n ASN 335 Cb 1.04 0.80 -0.06 0.00 -0.61 0.00 0.00 39.78 40.95 1tuy n ASN 335 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1tuy s SER 336 N -2.03 5.90 0.59 6.41 0.15 -0.53 -4.82 113.70 119.37 1tuy s SER 336 Ca 0.07 -3.01 0.36 0.00 0.70 0.00 0.00 55.95 54.07 1tuy s SER 336 Cb 0.10 -1.98 1.80 0.00 -1.71 0.00 0.00 66.02 64.23 1tuy s SER 336 CO 0.47 -0.39 2.16 0.00 1.20 0.00 0.00 173.24 176.68 1tuy h ALA 337 N 7.03 1.11 0.48 5.45 0.00 -1.86 -1.97 119.26 129.52 1tuy h ALA 337 Ca 0.06 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1tuy h ALA 337 Cb 0.95 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1tuy h ALA 337 CO 0.76 0.05 -0.23 1.03 0.00 0.00 0.00 179.25 180.86 1tuy h SER 338 N 0.00 -0.55 0.61 0.00 0.87 -1.91 -2.36 113.55 110.20 1tuy h SER 338 Ca -0.00 -0.05 -0.14 0.00 -1.23 0.00 0.00 61.79 60.36 1tuy h SER 338 Cb 0.25 0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 62.34 1tuy h SER 338 CO 0.01 -0.27 -0.67 0.40 -0.53 0.00 0.00 176.83 175.76 1tuy h ILE 339 N -0.82 1.46 -0.94 2.23 2.04 -1.85 -2.84 117.51 116.80 1tuy h ILE 339 Ca -0.07 -2.25 0.02 0.00 1.00 0.00 0.00 64.86 63.57 1tuy h ILE 339 Cb 0.57 2.20 -0.05 0.00 -0.74 0.00 0.00 36.82 38.80 1tuy h ILE 339 CO 0.11 0.65 0.62 0.03 0.00 0.00 0.00 178.15 179.56 1tuy h ARG 340 N 0.04 1.21 -0.17 2.37 3.08 -1.36 -0.82 114.38 118.73 1tuy h ARG 340 Ca -0.01 -0.07 -0.04 0.00 0.07 0.00 0.00 59.98 59.93 1tuy h ARG 340 Cb 1.18 -0.27 -0.00 0.00 0.08 0.00 0.00 29.97 30.96 1tuy h ARG 340 CO 0.09 0.80 -0.06 0.87 -1.07 0.00 0.00 179.97 180.60 1tuy h LYS 341 N 1.24 0.34 -0.68 0.04 1.79 -1.28 0.19 116.57 118.21 1tuy h LYS 341 Ca 0.36 -0.14 0.12 0.00 -2.18 0.00 0.00 60.65 58.81 1tuy h LYS 341 Cb -0.09 -0.01 -0.09 0.00 -1.58 0.00 0.00 32.23 30.46 1tuy h LYS 341 CO -0.09 0.63 0.24 0.00 -1.08 0.00 0.00 179.45 179.15 1tuy h ARG 342 N 0.03 0.39 0.14 3.15 3.08 -1.22 0.98 114.38 120.93 1tuy h ARG 342 Ca 0.04 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.06 1tuy h ARG 342 Cb 0.51 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.48 1tuy h ARG 342 CO 0.02 0.26 -0.07 0.82 -1.07 0.00 0.00 179.97 179.93 1tuy h ILE 343 N 0.40 1.03 0.00 2.04 2.04 -1.02 -3.33 117.51 118.67 1tuy h ILE 343 Ca 0.36 -0.89 0.00 0.00 1.00 0.00 0.00 64.86 65.33 1tuy h ILE 343 Cb 0.51 1.57 0.00 0.00 -0.74 0.00 0.00 36.82 38.16 1tuy h ILE 343 CO -0.37 0.20 0.00 -0.07 0.00 0.00 0.00 178.15 177.91 1tuy h LEU 344 N -0.62 0.00 -9.90 1.44 3.38 -0.68 -3.42 115.31 105.50 1tuy h LEU 344 Ca -0.02 0.00 -0.51 0.00 0.09 0.00 0.00 57.88 57.44 1tuy h LEU 344 Cb 0.47 0.00 0.05 0.00 0.09 0.00 0.00 40.66 41.27 1tuy h LEU 344 CO 0.03 0.00 0.52 -0.89 0.09 0.00 0.00 178.44 178.19 1tuy s THR 345 N -3.17 3.15 -0.34 0.22 2.01 0.32 -3.70 115.64 114.12 1tuy s THR 345 Ca 0.09 1.04 -0.02 0.00 0.31 0.00 0.00 61.69 63.11 1tuy s THR 345 Cb 0.10 -3.62 0.00 0.00 0.01 0.00 0.00 72.50 68.99 1tuy s THR 345 CO 0.59 0.16 0.30 0.61 -0.69 0.00 0.00 174.62 175.60 1tuy n GLY 346 N 0.78 0.57 0.34 4.40 0.00 -1.26 -4.96 105.19 105.07 1tuy n GLY 346 Ca 0.02 -0.44 0.01 0.00 0.00 0.00 0.00 46.02 45.62 1tuy n GLY 346 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1tuy n LEU 347 N -1.64 0.40 0.24 0.99 4.77 -1.24 -4.78 117.00 115.73 1tuy n LEU 347 Ca -0.00 -1.17 0.10 0.00 -0.03 0.00 0.00 56.01 54.91 1tuy n LEU 347 Cb 0.52 -0.06 0.59 0.00 -2.33 0.00 0.00 43.42 42.13 1tuy n LEU 347 CO 0.16 0.28 0.88 -2.24 -1.33 0.00 0.00 177.39 175.15 1tuy h ASP 348 N 0.00 0.00 0.08 -1.43 2.03 -1.75 0.24 116.42 115.59 1tuy h ASP 348 Ca 0.00 0.00 -0.01 0.00 -0.73 0.00 0.00 57.03 56.29 1tuy h ASP 348 Cb 1.25 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 39.75 1tuy h ASP 348 CO 0.00 0.20 -0.03 1.23 -1.03 0.00 0.00 179.24 179.60 1tuy h GLY 349 N 1.15 0.00 -2.03 7.15 0.00 -1.86 -1.38 103.07 106.10 1tuy h GLY 349 Ca -0.00 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.27 1tuy h GLY 349 CO 0.03 0.00 0.02 0.29 0.00 0.00 0.00 176.54 176.88 1tuy n ILE 350 N -3.86 2.44 -0.82 2.60 -5.35 -0.68 -4.94 119.36 108.75 1tuy n ILE 350 Ca -0.03 -1.99 0.00 0.00 -0.27 0.00 0.00 62.75 60.47 1tuy n ILE 350 Cb 0.12 -0.28 0.00 0.00 -1.74 0.00 0.00 39.64 37.74 1tuy n ILE 350 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1tuy n GLY 351 N -0.53 0.55 3.68 3.28 0.00 -0.52 -4.82 105.19 106.83 1tuy n GLY 351 Ca 0.26 -0.41 -0.35 0.00 0.00 0.00 0.00 46.02 45.52 1tuy n GLY 351 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1tuy s ILE 352 N -2.00 5.05 -0.15 -0.61 -1.09 -0.01 -0.87 121.20 121.52 1tuy s ILE 352 Ca 0.00 0.06 -0.17 0.00 -2.23 0.00 0.00 60.65 58.31 1tuy s ILE 352 Cb 0.00 -3.28 0.04 0.00 -1.58 0.00 0.00 42.46 37.64 1tuy s ILE 352 CO 0.00 0.46 0.47 -0.54 -1.23 0.00 0.00 174.94 174.10 1tuy s LYS 353 N 0.30 0.60 0.03 2.79 1.02 -1.26 -2.24 119.74 120.97 1tuy s LYS 353 Ca 0.05 0.52 0.05 0.00 0.02 0.00 0.00 55.97 56.62 1tuy s LYS 353 Cb -0.12 0.29 -0.02 0.00 -0.52 0.00 0.00 37.83 37.46 1tuy s LYS 353 CO -0.01 -0.10 -0.16 0.96 -0.92 0.00 0.00 175.35 175.13 1tuy s ILE 354 N -0.05 1.26 -0.69 2.17 -4.36 -1.26 -2.55 121.20 115.71 1tuy s ILE 354 Ca -0.03 -0.95 -0.24 0.00 -0.26 0.00 0.00 60.65 59.17 1tuy s ILE 354 Cb -0.03 -1.11 0.06 0.00 1.25 0.00 0.00 42.46 42.63 1tuy s ILE 354 CO 0.02 0.14 1.06 -0.62 0.24 0.00 0.00 174.94 175.78 1tuy s ASP 355 N -0.95 6.19 0.51 4.36 -1.08 0.36 -4.65 116.67 121.41 1tuy s ASP 355 Ca 0.04 -0.88 0.45 0.00 -0.52 0.00 0.00 52.55 51.64 1tuy s ASP 355 Cb -0.08 -2.46 1.62 0.00 -1.46 0.00 0.00 42.92 40.54 1tuy s ASP 355 CO 0.01 -1.54 1.49 0.47 0.52 0.00 0.00 175.17 176.12 1tuy n ASP 356 N 8.14 0.04 0.02 -0.34 8.00 -1.26 -0.49 116.55 130.66 1tuy n ASP 356 Ca -0.01 1.03 -0.11 0.00 0.71 0.00 0.00 54.79 56.41 1tuy n ASP 356 Cb 0.47 -0.51 -0.08 0.00 -0.02 0.00 0.00 41.12 40.97 1tuy n ASP 356 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1tuy h GLU 357 N 0.00 -0.13 0.00 -1.24 4.39 -1.95 -2.95 114.58 112.70 1tuy h GLU 357 Ca 0.89 0.01 -0.00 0.00 0.34 0.00 0.00 59.36 60.60 1tuy h GLU 357 Cb 3.45 0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 32.13 1tuy h GLU 357 CO -0.10 0.38 -0.01 0.87 -1.16 0.00 0.00 179.01 178.99 1tuy h LYS 358 N -0.86 0.00 0.00 2.33 1.57 -1.13 -0.29 116.57 118.20 1tuy h LYS 358 Ca -0.01 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.73 1tuy h LYS 358 Cb 0.57 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.87 1tuy h LYS 358 CO 0.02 0.01 -0.17 -0.97 -0.57 0.00 0.00 179.45 177.78 1tuy h ASN 359 N 0.00 0.00 0.07 0.86 -1.24 -1.03 -2.53 115.58 111.71 1tuy h ASN 359 Ca -0.00 0.00 -0.10 0.00 0.71 0.00 0.00 56.30 56.91 1tuy h ASN 359 Cb 0.02 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.06 1tuy h ASN 359 CO 0.00 0.17 -0.31 0.11 -1.29 0.00 0.00 177.43 176.11 1tuy h LYS 360 N 0.00 0.36 -6.50 6.67 1.57 -0.86 -3.42 116.57 114.39 1tuy h LYS 360 Ca -0.00 -0.14 -0.61 0.00 -1.87 0.00 0.00 60.65 58.03 1tuy h LYS 360 Cb 0.41 -0.02 0.10 0.00 0.08 0.00 0.00 32.23 32.81 1tuy h LYS 360 CO 0.02 0.64 0.28 -0.89 -0.57 0.00 0.00 179.45 178.92 1tuy n ILE 361 N -4.09 1.62 -4.45 1.86 2.08 -0.95 -4.94 119.36 110.49 1tuy n ILE 361 Ca -0.01 -0.41 -0.29 0.00 0.56 0.00 0.00 62.75 62.60 1tuy n ILE 361 Cb 0.43 -1.11 -0.13 0.00 -0.75 0.00 0.00 39.64 38.08 1tuy n ILE 361 CO 0.00 0.00 0.00 -0.60 0.56 0.00 0.00 176.55 176.51 1tuy s ARG 362 N -1.19 1.56 -0.27 0.38 3.52 -1.26 -4.88 118.95 116.81 1tuy s ARG 362 Ca 0.62 -1.27 -0.19 0.00 -0.13 0.00 0.00 55.73 54.77 1tuy s ARG 362 Cb -0.71 -1.97 0.03 0.00 -1.56 0.00 0.00 34.95 30.74 1tuy s ARG 362 CO 0.57 0.47 0.35 0.41 -0.81 0.00 0.00 175.30 176.29 1tuy n GLY 363 N 1.02 -0.44 0.00 8.12 0.00 -1.23 -5.01 105.19 107.65 1tuy n GLY 363 Ca -0.17 0.68 0.00 0.00 0.00 0.00 0.00 46.02 46.53 1tuy n GLY 363 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1tuy n GLN 364 N 0.44 0.00 -2.13 1.61 -0.06 -1.26 -5.09 117.38 110.89 1tuy n GLN 364 Ca -0.03 0.00 -0.40 0.00 -2.00 0.00 0.00 57.00 54.58 1tuy n GLN 364 Cb 0.53 0.00 -0.03 0.00 -4.06 0.00 0.00 30.24 26.68 1tuy n GLN 364 CO 0.00 0.00 0.00 -2.00 -0.20 0.00 0.00 177.06 174.86 1tuy s GLU 365 N -0.84 2.85 0.08 3.69 2.12 -1.25 -4.72 118.70 120.62 1tuy s GLU 365 Ca 0.00 0.60 0.02 0.00 0.36 0.00 0.00 54.97 55.95 1tuy s GLU 365 Cb 0.00 -4.31 -0.03 0.00 0.26 0.00 0.00 34.13 30.05 1tuy s GLU 365 CO 0.00 -2.47 -0.07 -1.50 -0.54 0.00 0.00 175.26 170.68 1tuy s ILE 366 N 8.09 0.65 -0.90 -3.70 2.07 -1.13 -4.98 121.20 121.30 1tuy s ILE 366 Ca 0.63 -1.59 -0.14 0.00 -1.41 0.00 0.00 60.65 58.15 1tuy s ILE 366 Cb -0.13 -1.25 0.22 0.00 0.13 0.00 0.00 42.46 41.43 1tuy s ILE 366 CO 0.22 -0.66 0.89 -0.62 -1.91 0.00 0.00 174.94 172.86 1tuy s ASP 367 N -2.44 6.87 0.00 4.50 -1.08 -1.26 -1.18 116.67 122.07 1tuy s ASP 367 Ca 0.03 -2.80 0.00 0.00 -0.52 0.00 0.00 52.55 49.26 1tuy s ASP 367 Cb -0.01 -2.24 0.00 0.00 -1.46 0.00 0.00 42.92 39.21 1tuy s ASP 367 CO -0.02 -0.58 0.40 2.30 0.52 0.00 0.00 175.17 177.79 1tuy n ILE 368 N 3.91 0.00 -2.75 4.11 -5.35 -0.67 -4.82 119.36 113.79 1tuy n ILE 368 Ca 0.18 0.00 -0.24 0.00 -0.27 0.00 0.00 62.75 62.42 1tuy n ILE 368 Cb 0.46 -0.30 0.02 0.00 -1.74 0.00 0.00 39.64 38.08 1tuy n ILE 368 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 1tuy s SER 369 N -0.52 5.64 0.64 7.28 1.04 -1.24 -0.49 113.70 126.05 1tuy s SER 369 Ca 0.00 0.35 -0.11 0.00 0.48 0.00 0.00 55.95 56.67 1tuy s SER 369 Cb 0.00 -1.45 -0.02 0.00 0.10 0.00 0.00 66.02 64.65 1tuy s SER 369 CO 0.00 -0.90 1.04 0.42 0.98 0.00 0.00 173.24 174.78 1tuy s THR 370 N -2.72 4.37 -0.72 2.02 -4.23 -1.06 -4.14 115.64 109.16 1tuy s THR 370 Ca 0.52 0.74 0.23 0.00 -1.18 0.00 0.00 61.69 61.99 1tuy s THR 370 Cb -0.10 -3.76 0.22 0.00 1.34 0.00 0.00 72.50 70.21 1tuy s THR 370 CO 0.40 -0.99 1.69 -0.81 -0.54 0.00 0.00 174.62 174.37 1tuy n PRO 371 N -2.80 0.14 0.00 3.99 -0.04 -1.26 -2.80 135.00 132.23 1tuy n PRO 371 Ca 0.06 0.29 0.11 0.00 -0.04 0.00 0.00 63.50 63.92 1tuy n PRO 371 Cb 0.55 -1.73 -0.04 0.00 -0.04 0.00 0.00 33.50 32.24 1tuy n PRO 371 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1tuy n ASP 372 N -1.98 1.73 -4.71 3.54 5.75 -1.26 -4.96 116.55 114.66 1tuy n ASP 372 Ca 0.04 -1.37 -0.42 0.00 -0.01 0.00 0.00 54.79 53.03 1tuy n ASP 372 Cb 0.27 0.63 -0.03 0.00 -1.03 0.00 0.00 41.12 40.96 1tuy n ASP 372 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1tuy s ALA 373 N -2.61 3.76 0.26 2.12 0.00 -1.12 -4.91 121.76 119.26 1tuy s ALA 373 Ca 0.15 1.33 -0.03 0.00 0.00 0.00 0.00 51.96 53.42 1tuy s ALA 373 Cb 0.17 -3.65 0.32 0.00 0.00 0.00 0.00 23.12 19.97 1tuy s ALA 373 CO 0.65 -0.88 1.81 -0.22 0.00 0.00 0.00 175.76 177.12 1tuy h LYS 374 N 7.24 0.94 -5.38 0.00 1.63 -1.87 -3.41 116.57 115.71 1tuy h LYS 374 Ca -0.43 -0.19 -0.64 0.00 -0.85 0.00 0.00 60.65 58.54 1tuy h LYS 374 Cb 1.20 -0.14 -0.21 0.00 -0.60 0.00 0.00 32.23 32.48 1tuy h LYS 374 CO 0.92 0.82 -0.67 0.08 -3.45 0.00 0.00 179.45 177.15 1tuy s VAL 375 N -5.29 3.89 0.40 2.00 1.01 -0.05 -4.99 120.40 117.38 1tuy s VAL 375 Ca -0.10 -0.37 -0.23 0.00 0.00 0.00 0.00 61.98 61.28 1tuy s VAL 375 Cb 0.15 -2.69 -0.10 0.00 0.00 0.00 0.00 36.38 33.74 1tuy s VAL 375 CO 0.81 0.51 0.96 -0.13 0.00 0.00 0.00 175.10 177.25 1tuy s ARG 376 N 0.23 4.28 -0.30 2.72 1.81 -0.97 -4.58 118.95 122.14 1tuy s ARG 376 Ca -0.03 1.23 -0.00 0.00 -1.72 0.00 0.00 55.73 55.22 1tuy s ARG 376 Cb -0.14 -2.37 0.09 0.00 -0.45 0.00 0.00 34.95 32.08 1tuy s ARG 376 CO 0.03 0.01 0.07 0.08 -0.68 0.00 0.00 175.30 174.81 1tuy s VAL 377 N -1.96 1.13 0.20 3.52 1.01 -1.26 -0.91 120.40 122.12 1tuy s VAL 377 Ca 0.59 -1.48 -0.04 0.00 0.00 0.00 0.00 61.98 61.05 1tuy s VAL 377 Cb -0.13 -1.80 -0.05 0.00 0.00 0.00 0.00 36.38 34.40 1tuy s VAL 377 CO 0.18 -0.59 0.43 -0.36 0.00 0.00 0.00 175.10 174.76 1tuy s PHE 378 N 1.50 3.47 -0.33 5.22 0.08 0.64 -1.67 117.98 126.90 1tuy s PHE 378 Ca 0.08 0.54 0.04 0.00 0.12 0.00 0.00 56.93 57.70 1tuy s PHE 378 Cb -0.18 -2.00 0.09 0.00 -0.57 0.00 0.00 43.02 40.37 1tuy s PHE 378 CO -0.20 0.35 0.03 0.08 -0.10 0.00 0.00 175.22 175.38 1tuy s VAL 379 N -1.83 2.21 -0.19 -0.44 1.01 -0.33 -1.61 120.40 119.22 1tuy s VAL 379 Ca 0.41 -2.21 -0.01 0.00 0.00 0.00 0.00 61.98 60.17 1tuy s VAL 379 Cb -0.11 -2.59 0.01 0.00 0.00 0.00 0.00 36.38 33.68 1tuy s VAL 379 CO 0.27 -0.52 -0.13 -0.63 0.00 0.00 0.00 175.10 174.08 1tuy s ILE 380 N 0.96 2.65 0.28 2.22 1.01 -1.04 -2.85 121.20 124.43 1tuy s ILE 380 Ca 0.08 -0.74 -0.29 0.00 0.00 0.00 0.00 60.65 59.70 1tuy s ILE 380 Cb -0.19 -2.16 -0.10 0.00 0.01 0.00 0.00 42.46 40.02 1tuy s ILE 380 CO -0.08 0.49 1.26 -2.84 0.00 0.00 0.00 174.94 173.77 1tuy s PRO 381 N 1.30 4.43 -0.09 2.79 0.02 -1.26 -4.28 135.00 137.91 1tuy s PRO 381 Ca 0.04 2.08 -0.19 0.00 0.02 0.00 0.00 61.00 62.95 1tuy s PRO 381 Cb -0.14 -3.14 -0.04 0.00 0.02 0.00 0.00 34.50 31.20 1tuy s PRO 381 CO -0.08 -0.12 0.52 0.99 -0.33 0.00 0.00 177.00 177.98 1tuy s THR 382 N -0.73 5.13 -0.62 0.99 2.01 -1.26 -4.96 115.64 116.20 1tuy s THR 382 Ca 0.51 1.05 -0.02 0.00 0.31 0.00 0.00 61.69 63.54 1tuy s THR 382 Cb -0.37 -3.86 0.16 0.00 0.01 0.00 0.00 72.50 68.44 1tuy s THR 382 CO 0.45 0.34 0.43 0.21 -0.69 0.00 0.00 174.62 175.36 1tuy s ASN 383 N 0.45 5.16 0.11 3.53 3.84 -1.26 -4.98 114.94 121.79 1tuy s ASN 383 Ca 0.28 -2.88 -0.29 0.00 0.21 0.00 0.00 52.86 50.17 1tuy s ASN 383 Cb -0.16 -1.84 -0.10 0.00 -0.55 0.00 0.00 41.25 38.61 1tuy s ASN 383 CO 0.12 -0.35 1.61 -0.08 -2.79 0.00 0.00 177.10 175.61 1tuy h GLU 384 N 6.96 -0.59 -0.94 0.43 4.57 -1.97 -1.16 114.58 121.89 1tuy h GLU 384 Ca -0.02 0.04 0.14 0.00 -1.18 0.00 0.00 59.36 58.34 1tuy h GLU 384 Cb 0.94 0.13 -0.08 0.00 -0.16 0.00 0.00 28.75 29.59 1tuy h GLU 384 CO 0.71 -0.39 0.60 0.93 -1.18 0.00 0.00 179.01 179.67 1tuy h GLU 385 N -0.61 0.78 -0.12 1.92 3.07 -1.99 0.04 114.58 117.67 1tuy h GLU 385 Ca 0.01 -0.05 -0.12 0.00 -0.50 0.00 0.00 59.36 58.71 1tuy h GLU 385 Cb 0.62 -0.18 -0.01 0.00 -0.84 0.00 0.00 28.75 28.34 1tuy h GLU 385 CO -0.16 0.52 -0.44 1.25 -1.40 0.00 0.00 179.01 178.77 1tuy h LEU 386 N 0.81 0.30 -0.21 1.33 5.85 -1.86 -1.38 115.31 120.14 1tuy h LEU 386 Ca 0.47 -0.13 -0.06 0.00 0.84 0.00 0.00 57.88 59.00 1tuy h LEU 386 Cb 0.64 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.58 1tuy h LEU 386 CO -0.24 0.70 -0.11 0.00 -0.34 0.00 0.00 178.44 178.46 1tuy h ALA 387 N 1.31 0.30 0.00 1.25 0.00 0.17 -0.39 119.26 121.90 1tuy h ALA 387 Ca 0.02 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.59 1tuy h ALA 387 Cb 0.87 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1tuy h ALA 387 CO 0.07 0.14 -0.18 0.82 0.00 0.00 0.00 179.25 180.10 1tuy h ILE 388 N 0.15 1.11 -0.02 0.00 1.08 -0.94 -1.83 117.51 117.05 1tuy h ILE 388 Ca 0.05 -0.63 -0.02 0.00 -0.39 0.00 0.00 64.86 63.87 1tuy h ILE 388 Cb 0.60 1.34 0.00 0.00 -3.07 0.00 0.00 36.82 35.69 1tuy h ILE 388 CO 0.03 0.18 -0.07 0.00 -0.69 0.00 0.00 178.15 177.60 1tuy h ALA 389 N 1.82 0.03 -0.60 1.87 0.00 -1.00 -2.13 119.26 119.25 1tuy h ALA 389 Ca -0.00 -0.34 0.07 0.00 0.00 0.00 0.00 54.91 54.63 1tuy h ALA 389 Cb 0.32 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.05 1tuy h ALA 389 CO 0.02 -0.10 0.29 0.00 0.00 0.00 0.00 179.25 179.46 1tuy h ARG 390 N -0.52 0.51 0.51 0.00 3.08 -0.68 -1.82 114.38 115.45 1tuy h ARG 390 Ca -0.00 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.00 1tuy h ARG 390 Cb 0.71 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 30.64 1tuy h ARG 390 CO 0.01 0.34 -0.30 0.93 -1.07 0.00 0.00 179.97 179.88 1tuy h GLU 391 N 0.53 -0.73 -0.89 0.04 4.39 -1.38 -0.31 114.58 116.23 1tuy h GLU 391 Ca 0.28 0.05 0.18 0.00 0.34 0.00 0.00 59.36 60.21 1tuy h GLU 391 Cb 0.25 0.17 -0.07 0.00 -0.10 0.00 0.00 28.75 29.00 1tuy h GLU 391 CO -0.22 -0.49 0.58 1.15 -1.16 0.00 0.00 179.01 178.87 1tuy h THR 392 N -0.76 0.75 0.34 1.13 2.02 -1.18 -1.48 112.91 113.72 1tuy h THR 392 Ca -0.06 -0.18 -0.02 0.00 0.77 0.00 0.00 66.41 66.92 1tuy h THR 392 Cb 0.62 0.17 0.00 0.00 -1.74 0.00 0.00 68.15 67.20 1tuy h THR 392 CO 0.07 0.10 -0.17 0.50 0.37 0.00 0.00 175.52 176.39 1tuy h LYS 393 N 0.53 -0.44 -0.85 6.66 3.64 -0.92 -1.78 116.57 123.39 1tuy h LYS 393 Ca 0.46 0.03 0.22 0.00 -1.27 0.00 0.00 60.65 60.09 1tuy h LYS 393 Cb 0.96 0.10 -0.14 0.00 -0.41 0.00 0.00 32.23 32.74 1tuy h LYS 393 CO -0.19 -0.12 0.16 1.49 -2.27 0.00 0.00 179.45 178.51 1tuy h GLU 394 N -0.87 0.16 0.66 1.90 4.81 -0.24 0.76 114.58 121.76 1tuy h GLU 394 Ca -0.05 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.14 1tuy h GLU 394 Cb 0.53 -0.04 0.01 0.00 0.63 0.00 0.00 28.75 29.88 1tuy h GLU 394 CO 0.08 0.11 -0.32 0.82 -0.73 0.00 0.00 179.01 178.97 1tuy h ILE 395 N 0.17 0.00 -0.79 2.32 1.08 -1.29 -1.69 117.51 117.31 1tuy h ILE 395 Ca 0.52 -0.29 0.20 0.00 -0.39 0.00 0.00 64.86 64.90 1tuy h ILE 395 Cb 1.02 0.00 -0.05 0.00 -3.07 0.00 0.00 36.82 34.72 1tuy h ILE 395 CO -0.68 0.00 0.54 0.58 -0.69 0.00 0.00 178.15 177.91 1tuy h VAL 396 N -1.18 0.68 0.11 1.67 2.07 -0.57 -2.93 116.25 116.10 1tuy h VAL 396 Ca -0.09 -0.08 -0.01 0.00 0.82 0.00 0.00 66.70 67.35 1tuy h VAL 396 Cb 0.68 0.44 0.00 0.00 -1.52 0.00 0.00 31.29 30.89 1tuy h VAL 396 CO 0.15 0.04 -0.05 -0.08 0.02 0.00 0.00 177.57 177.65 1tuy h GLU 397 N 0.22 -0.14 0.00 1.57 4.81 0.60 -3.51 114.58 118.14 1tuy h GLU 397 Ca 0.39 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.63 1tuy h GLU 397 Cb 1.21 0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.62 1tuy h GLU 397 CO -0.09 -0.09 0.00 0.25 -0.73 0.00 0.00 179.01 178.35