#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k3a s LYS 2 N 0.00 3.29 -0.10 0.03 3.01 -1.26 -4.89 119.74 119.82 2k3a s LYS 2 Ca 0.00 0.46 -0.04 0.00 -1.01 0.00 0.00 55.97 55.39 2k3a s LYS 2 Cb 0.00 -4.13 -0.01 0.00 -1.01 0.00 0.00 37.83 32.68 2k3a s LYS 2 CO 0.00 -1.96 -0.07 -0.22 0.51 0.00 0.00 175.35 173.61 2k3a h LYS 3 N 11.16 0.00 -5.37 1.68 1.63 -2.15 -3.49 116.57 120.03 2k3a h LYS 3 Ca -0.27 0.00 -0.40 0.00 -0.85 0.00 0.00 60.65 59.13 2k3a h LYS 3 Cb 1.09 0.00 -0.18 0.00 -0.60 0.00 0.00 32.23 32.55 2k3a h LYS 3 CO 1.18 0.00 -0.75 -0.51 -3.45 0.00 0.00 179.45 175.92 2k3a s LEU 4 N -7.67 2.43 -0.02 5.20 1.43 -1.26 -5.16 118.68 113.62 2k3a s LEU 4 Ca -0.06 -0.84 -0.00 0.00 -1.03 0.00 0.00 54.13 52.19 2k3a s LEU 4 Cb 0.01 -0.52 0.03 0.00 0.03 0.00 0.00 46.19 45.73 2k3a s LEU 4 CO 0.09 -0.17 0.04 0.54 0.23 0.00 0.00 176.35 177.08 2k3a s VAL 5 N -2.32 -0.05 -0.06 -1.59 0.11 -1.26 -5.16 120.40 110.07 2k3a s VAL 5 Ca 0.10 0.19 0.04 0.00 -2.93 0.00 0.00 61.98 59.38 2k3a s VAL 5 Cb -0.04 -0.09 0.00 0.00 -1.53 0.00 0.00 36.38 34.72 2k3a s VAL 5 CO 0.03 0.08 -0.18 -0.89 -3.33 0.00 0.00 175.10 170.81 2k3a s THR 6 N 0.98 1.54 -0.27 5.04 2.01 -1.26 -5.12 115.64 118.56 2k3a s THR 6 Ca -0.08 -0.74 -0.01 0.00 0.31 0.00 0.00 61.69 61.16 2k3a s THR 6 Cb -0.12 -1.34 0.04 0.00 0.01 0.00 0.00 72.50 71.10 2k3a s THR 6 CO -0.03 0.44 -0.04 0.00 -0.69 0.00 0.00 174.62 174.30 2k3a s ALA 7 N 0.28 2.74 -0.12 7.40 0.00 -1.26 -4.98 121.76 125.81 2k3a s ALA 7 Ca -0.10 -1.63 0.08 0.00 0.00 0.00 0.00 51.96 50.30 2k3a s ALA 7 Cb -0.14 -1.79 -0.13 0.00 0.00 0.00 0.00 23.12 21.05 2k3a s ALA 7 CO 0.04 -1.06 -0.01 0.25 0.00 0.00 0.00 175.76 174.98 2k3a n THR 8 N 4.62 0.81 -3.14 0.00 -2.24 -1.26 -5.00 114.28 108.08 2k3a n THR 8 Ca -0.15 -0.45 -0.39 0.00 -2.27 0.00 0.00 64.05 60.80 2k3a n THR 8 Cb 0.45 -0.79 -0.05 0.00 -2.10 0.00 0.00 70.33 67.84 2k3a n THR 8 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2k3a s THR 9 N -2.29 4.87 0.08 4.28 -1.32 -1.26 -5.08 115.64 114.92 2k3a s THR 9 Ca -0.10 1.35 0.09 0.00 -1.21 0.00 0.00 61.69 61.83 2k3a s THR 9 Cb 0.04 -3.98 -0.03 0.00 -1.51 0.00 0.00 72.50 67.01 2k3a s THR 9 CO 0.44 0.39 -0.24 -0.76 -2.21 0.00 0.00 174.62 172.24 2k3a s LEU 10 N -0.09 2.23 -0.56 9.08 1.02 -1.26 -5.09 118.68 124.02 2k3a s LEU 10 Ca 0.33 -0.63 -0.27 0.00 0.02 0.00 0.00 54.13 53.58 2k3a s LEU 10 Cb -0.19 -1.11 -0.02 0.00 0.02 0.00 0.00 46.19 44.89 2k3a s LEU 10 CO 0.19 0.17 1.81 -0.89 0.02 0.00 0.00 176.35 177.65 2k3a s THR 11 N -0.94 3.41 -0.11 5.49 2.01 -1.26 -4.94 115.64 119.31 2k3a s THR 11 Ca 0.10 0.29 -0.03 0.00 0.31 0.00 0.00 61.69 62.36 2k3a s THR 11 Cb -0.10 -3.93 0.05 0.00 0.01 0.00 0.00 72.50 68.53 2k3a s THR 11 CO 0.03 -0.84 0.07 0.00 -0.69 0.00 0.00 174.62 173.20 2k3a s ALA 12 N 8.45 0.37 0.00 7.40 0.00 -1.26 -5.12 121.76 131.60 2k3a s ALA 12 Ca 0.68 -0.08 0.00 0.00 0.00 0.00 0.00 51.96 52.56 2k3a s ALA 12 Cb -0.14 -0.84 0.00 0.00 0.00 0.00 0.00 23.12 22.14 2k3a s ALA 12 CO 0.23 -0.83 0.00 0.41 0.00 0.00 0.00 175.76 175.57 2k3a n GLY 13 N 5.28 3.21 2.52 0.00 0.00 -1.26 -5.14 105.19 109.80 2k3a n GLY 13 Ca -0.05 -0.24 -0.29 0.00 0.00 0.00 0.00 46.02 45.44 2k3a n GLY 13 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2k3a s ILE 14 N -0.32 -0.02 -0.90 -0.61 -4.36 -1.26 -5.04 121.20 108.70 2k3a s ILE 14 Ca 0.00 -1.06 -0.03 0.00 -0.26 0.00 0.00 60.65 59.31 2k3a s ILE 14 Cb 0.00 -1.02 0.24 0.00 1.25 0.00 0.00 42.46 42.93 2k3a s ILE 14 CO 0.00 -0.81 2.20 0.61 0.24 0.00 0.00 174.94 177.19 2k3a n GLY 15 N 4.86 5.39 3.66 6.27 0.00 -1.26 -4.99 105.19 119.11 2k3a n GLY 15 Ca -0.00 -2.30 -0.43 0.00 0.00 0.00 0.00 46.02 43.29 2k3a n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k3a s ALA 16 N -3.11 3.64 -0.12 4.61 0.00 -1.26 -5.01 121.76 120.51 2k3a s ALA 16 Ca 0.50 0.41 -0.10 0.00 0.00 0.00 0.00 51.96 52.77 2k3a s ALA 16 Cb 0.31 -3.63 0.03 0.00 0.00 0.00 0.00 23.12 19.84 2k3a s ALA 16 CO -0.24 -1.21 0.32 0.00 0.00 0.00 0.00 175.76 174.63 2k3a s ALA 17 N 3.55 -0.79 -0.07 0.00 0.00 -1.26 -5.16 121.76 118.03 2k3a s ALA 17 Ca 0.54 0.95 0.02 0.00 0.00 0.00 0.00 51.96 53.47 2k3a s ALA 17 Cb -0.21 -0.56 0.02 0.00 0.00 0.00 0.00 23.12 22.37 2k3a s ALA 17 CO 0.15 -0.16 -0.10 0.42 0.00 0.00 0.00 175.76 176.06 2k3a s ILE 18 N 0.34 1.00 0.00 0.00 1.01 -1.26 -5.10 121.20 117.19 2k3a s ILE 18 Ca -0.01 -0.38 0.00 0.00 0.00 0.00 0.00 60.65 60.26 2k3a s ILE 18 Cb -0.03 -0.95 0.00 0.00 0.01 0.00 0.00 42.46 41.49 2k3a s ILE 18 CO -0.01 0.33 0.00 0.52 0.00 0.00 0.00 174.94 175.78 2k3a n VAL 19 N 4.05 0.00 -1.24 2.92 0.31 -1.26 -5.08 118.33 118.04 2k3a n VAL 19 Ca -0.21 0.06 0.00 0.00 -0.01 0.00 0.00 64.34 64.17 2k3a n VAL 19 Cb 0.51 -0.46 0.00 0.00 -0.91 0.00 0.00 33.84 32.98 2k3a n VAL 19 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2k3a n GLY 20 N 2.43 -0.23 3.78 2.92 0.00 -1.26 -5.06 105.19 107.76 2k3a n GLY 20 Ca 0.00 -0.26 -0.39 0.00 0.00 0.00 0.00 46.02 45.37 2k3a n GLY 20 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2k3a s LEU 21 N -1.33 4.49 -0.29 0.99 2.96 -1.26 -5.06 118.68 119.18 2k3a s LEU 21 Ca 0.00 1.31 -0.18 0.00 -0.22 0.00 0.00 54.13 55.04 2k3a s LEU 21 Cb 0.00 -3.01 0.14 0.00 0.50 0.00 0.00 46.19 43.82 2k3a s LEU 21 CO 0.00 0.18 1.02 -0.62 -1.32 0.00 0.00 176.35 175.60 2k3a s ASP 22 N -0.68 -0.46 -0.29 3.68 2.15 -1.26 -5.18 116.67 114.63 2k3a s ASP 22 Ca 0.32 0.77 -0.22 0.00 0.43 0.00 0.00 52.55 53.85 2k3a s ASP 22 Cb -0.20 1.08 0.15 0.00 -0.30 0.00 0.00 42.92 43.65 2k3a s ASP 22 CO 0.20 -0.12 1.11 -1.38 -0.17 0.00 0.00 175.17 174.80 2k3a s HIS 23 N 1.03 -0.40 0.00 -5.34 -3.43 -1.26 -5.16 115.29 100.73 2k3a s HIS 23 Ca -0.06 0.90 0.00 0.00 -0.80 0.00 0.00 55.06 55.10 2k3a s HIS 23 Cb -0.04 0.36 0.00 0.00 -1.43 0.00 0.00 32.58 31.47 2k3a s HIS 23 CO -0.13 -0.19 0.00 0.41 -2.00 0.00 0.00 174.74 172.83 2k3a n GLY 24 N 2.61 2.64 3.26 -1.38 0.00 -1.26 -5.16 105.19 105.90 2k3a n GLY 24 Ca -0.14 -1.04 -0.11 0.00 0.00 0.00 0.00 46.02 44.72 2k3a n GLY 24 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2k3a s ASN 25 N 0.00 -0.46 -0.02 1.61 3.84 -1.26 -5.17 114.94 113.48 2k3a s ASN 25 Ca 0.00 0.83 -0.03 0.00 0.21 0.00 0.00 52.86 53.87 2k3a s ASN 25 Cb 0.00 0.75 0.00 0.00 -0.55 0.00 0.00 41.25 41.46 2k3a s ASN 25 CO 0.00 -0.17 0.08 -1.83 -2.79 0.00 0.00 177.10 172.38 2k3a s GLU 26 N 1.00 0.19 -0.40 0.43 -1.05 -1.26 -5.13 118.70 112.49 2k3a s GLU 26 Ca -0.06 -0.07 0.06 0.00 -0.15 0.00 0.00 54.97 54.75 2k3a s GLU 26 Cb -0.07 0.08 0.18 0.00 -0.44 0.00 0.00 34.13 33.89 2k3a s GLU 26 CO -0.08 -0.03 0.67 0.00 0.95 0.00 0.00 175.26 176.76 2k3a s ALA 27 N -0.40 -2.58 0.83 -0.84 0.00 -1.26 -5.17 121.76 112.34 2k3a s ALA 27 Ca -0.05 0.36 -0.12 0.00 0.00 0.00 0.00 51.96 52.15 2k3a s ALA 27 Cb -0.03 -2.76 0.10 0.00 0.00 0.00 0.00 23.12 20.43 2k3a s ALA 27 CO 0.00 -2.23 1.19 0.16 0.00 0.00 0.00 175.76 174.89 2k3a s ASP 28 N 1.91 4.26 0.07 0.00 -4.77 -1.26 -5.11 116.67 111.77 2k3a s ASP 28 Ca 0.16 0.65 -0.17 0.00 -3.30 0.00 0.00 52.55 49.89 2k3a s ASP 28 Cb -0.04 -1.07 0.03 0.00 -1.09 0.00 0.00 42.92 40.76 2k3a s ASP 28 CO -0.09 -2.04 0.39 0.00 0.70 0.00 0.00 175.17 174.13 2k3a s ALA 29 N -3.61 -0.93 -0.34 2.11 0.00 -1.26 -5.13 121.76 112.59 2k3a s ALA 29 Ca 0.64 0.14 -0.06 0.00 0.00 0.00 0.00 51.96 52.68 2k3a s ALA 29 Cb -0.10 0.46 0.19 0.00 0.00 0.00 0.00 23.12 23.68 2k3a s ALA 29 CO 0.49 -0.52 1.01 0.00 0.00 0.00 0.00 175.76 176.75 2k3a s ALA 30 N -2.96 -4.18 -0.17 0.00 0.00 -1.26 -5.15 121.76 108.04 2k3a s ALA 30 Ca -0.02 0.93 0.01 0.00 0.00 0.00 0.00 51.96 52.87 2k3a s ALA 30 Cb 0.00 -2.97 0.02 0.00 0.00 0.00 0.00 23.12 20.18 2k3a s ALA 30 CO -0.06 -2.47 -0.16 -1.21 0.00 0.00 0.00 175.76 171.86 2k3a s GLU 31 N 1.64 2.54 0.11 0.00 8.01 -1.26 -4.85 118.70 124.89 2k3a s GLU 31 Ca 0.18 -0.71 0.07 0.00 0.01 0.00 0.00 54.97 54.52 2k3a s GLU 31 Cb 0.05 -2.33 -0.04 0.00 -4.31 0.00 0.00 34.13 27.51 2k3a s GLU 31 CO -0.13 -0.25 -0.17 -0.65 0.01 0.00 0.00 175.26 174.07 2k3a s GLN 32 N 1.40 1.06 0.12 1.61 -0.21 -1.26 -5.16 119.66 117.22 2k3a s GLN 32 Ca 0.04 -1.18 0.07 0.00 0.02 0.00 0.00 55.36 54.30 2k3a s GLN 32 Cb -0.13 -1.14 -0.04 0.00 1.00 0.00 0.00 33.01 32.70 2k3a s GLN 32 CO -0.11 0.25 -0.06 0.95 -2.12 0.00 0.00 175.29 174.19 2k3a s THR 33 N -1.59 3.56 0.16 -0.19 -4.23 -1.26 -5.15 115.64 106.94 2k3a s THR 33 Ca 0.07 -1.25 0.05 0.00 -1.18 0.00 0.00 61.69 59.38 2k3a s THR 33 Cb -0.08 -2.70 -0.04 0.00 1.34 0.00 0.00 72.50 71.02 2k3a s THR 33 CO 0.04 0.06 -0.11 -1.10 -0.54 0.00 0.00 174.62 172.97 2k3a s GLN 34 N -2.39 1.10 0.00 3.99 -1.52 -1.26 -5.03 119.66 114.56 2k3a s GLN 34 Ca 0.24 -1.47 0.00 0.00 -1.95 0.00 0.00 55.36 52.18 2k3a s GLN 34 Cb -0.11 -0.72 0.00 0.00 -0.22 0.00 0.00 33.01 31.97 2k3a s GLN 34 CO 0.16 0.10 0.67 -2.30 -0.25 0.00 0.00 175.29 173.66 2k3a n PRO 35 N -0.20 0.64 -0.30 2.91 -0.02 -1.26 -4.85 135.00 131.93 2k3a n PRO 35 Ca -0.10 0.00 -0.05 0.00 -2.02 0.00 0.00 63.50 61.33 2k3a n PRO 35 Cb 0.60 -1.18 0.04 0.00 -0.02 0.00 0.00 33.50 32.94 2k3a n PRO 35 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2k3a n THR 36 N 0.73 0.00 -1.00 3.45 -2.24 -1.26 -5.08 114.28 108.87 2k3a n THR 36 Ca 0.00 -0.15 -0.14 0.00 -2.27 0.00 0.00 64.05 61.48 2k3a n THR 36 Cb 0.32 -1.78 0.11 0.00 -2.10 0.00 0.00 70.33 66.89 2k3a n THR 36 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2k3a n ASN 37 N -3.17 -0.98 -3.72 3.42 5.03 -1.26 -5.07 115.26 109.51 2k3a n ASN 37 Ca 0.03 -0.96 -0.29 0.00 0.87 0.00 0.00 54.58 54.22 2k3a n ASN 37 Cb 0.10 -0.48 -0.15 0.00 -1.02 0.00 0.00 39.78 38.22 2k3a n ASN 37 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2k3a s GLN 38 N -4.26 0.69 0.64 3.52 0.00 -1.26 -5.07 119.66 113.91 2k3a s GLN 38 Ca 0.35 -0.92 -0.11 0.00 -0.00 0.00 0.00 55.36 54.68 2k3a s GLN 38 Cb -0.02 -1.96 -0.03 0.00 0.00 0.00 0.00 33.01 31.00 2k3a s GLN 38 CO 0.26 -0.92 1.04 -1.12 0.00 0.00 0.00 175.29 174.55 2k3a s SER 39 N 1.69 6.03 0.17 12.60 0.01 -1.26 -5.07 113.70 127.87 2k3a s SER 39 Ca 0.07 1.39 -0.18 0.00 1.31 0.00 0.00 55.95 58.54 2k3a s SER 39 Cb -0.17 -2.39 -0.08 0.00 0.21 0.00 0.00 66.02 63.60 2k3a s SER 39 CO -0.23 -0.99 0.64 0.28 0.41 0.00 0.00 173.24 173.35 2k3a s THR 40 N -3.20 4.69 -0.18 1.44 -1.32 -1.26 -4.65 115.64 111.16 2k3a s THR 40 Ca 0.56 1.13 -0.05 0.00 -1.21 0.00 0.00 61.69 62.12 2k3a s THR 40 Cb -0.11 -3.83 0.02 0.00 -1.51 0.00 0.00 72.50 67.06 2k3a s THR 40 CO 0.54 0.28 0.10 0.35 -2.21 0.00 0.00 174.62 173.68 2k3a n THR 41 N 0.93 -9.43 -2.00 5.08 -2.24 -1.26 -4.99 114.28 100.37 2k3a n THR 41 Ca -0.05 1.76 -0.29 0.00 -2.27 0.00 0.00 64.05 63.20 2k3a n THR 41 Cb 0.51 -5.62 0.05 0.00 -2.10 0.00 0.00 70.33 63.17 2k3a n THR 41 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2k3a s GLN 42 N -0.95 2.74 0.09 -0.78 1.11 -1.26 -4.99 119.66 115.62 2k3a s GLN 42 Ca -0.11 0.30 -0.31 0.00 0.01 0.00 0.00 55.36 55.25 2k3a s GLN 42 Cb 0.01 -2.07 -0.10 0.00 -1.01 0.00 0.00 33.01 29.84 2k3a s GLN 42 CO 0.57 -1.04 1.85 -1.12 0.01 0.00 0.00 175.29 175.56 2k3a s SER 43 N -4.38 6.45 0.04 5.90 0.01 -1.26 -4.94 113.70 115.53 2k3a s SER 43 Ca 0.58 2.70 -0.23 0.00 1.31 0.00 0.00 55.95 60.31 2k3a s SER 43 Cb -0.11 -2.55 -0.12 0.00 0.21 0.00 0.00 66.02 63.45 2k3a s SER 43 CO 0.50 -1.01 1.34 0.71 0.41 0.00 0.00 173.24 175.19 2k3a h THR 44 N 5.00 0.00 -1.93 1.44 1.35 -2.05 -3.46 112.91 113.26 2k3a h THR 44 Ca -0.47 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.39 2k3a h THR 44 Cb 1.22 0.00 -0.22 0.00 -1.73 0.00 0.00 68.15 67.42 2k3a h THR 44 CO 0.94 0.00 0.14 -0.44 -0.25 0.00 0.00 175.52 175.91 2k3a s SER 45 N -3.36 -0.78 0.86 5.36 0.01 -1.26 -5.14 113.70 109.38 2k3a s SER 45 Ca -0.12 1.38 -0.08 0.00 1.31 0.00 0.00 55.95 58.45 2k3a s SER 45 Cb 0.02 1.37 0.16 0.00 0.21 0.00 0.00 66.02 67.78 2k3a s SER 45 CO 0.37 -0.23 1.00 0.61 0.41 0.00 0.00 173.24 175.39 2k3a n GLY 46 N 3.27 -0.47 3.05 3.44 0.00 -1.26 -5.13 105.19 108.09 2k3a n GLY 46 Ca -0.16 -1.85 -0.11 0.00 0.00 0.00 0.00 46.02 43.90 2k3a n GLY 46 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k3a s SER 47 N -4.81 0.07 0.14 1.61 0.01 -1.26 -5.00 113.70 104.46 2k3a s SER 47 Ca 0.60 -0.23 0.20 0.00 1.31 0.00 0.00 55.95 57.84 2k3a s SER 47 Cb -0.02 0.18 -0.06 0.00 0.21 0.00 0.00 66.02 66.32 2k3a s SER 47 CO 0.41 -0.30 0.94 -1.20 0.41 0.00 0.00 173.24 173.50 2k3a n SER 48 N 1.73 0.83 -4.55 2.44 7.64 -1.26 -4.74 113.62 115.71 2k3a n SER 48 Ca -0.22 0.34 -0.29 0.00 1.01 0.00 0.00 58.87 59.71 2k3a n SER 48 Cb 0.56 0.37 -0.04 0.00 -1.01 0.00 0.00 64.21 64.08 2k3a n SER 48 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2k3a s ALA 49 N -3.19 1.56 0.13 -0.43 0.00 -1.26 -4.96 121.76 113.61 2k3a s ALA 49 Ca -0.02 -0.69 -0.19 0.00 0.00 0.00 0.00 51.96 51.07 2k3a s ALA 49 Cb 0.09 -4.44 -0.07 0.00 0.00 0.00 0.00 23.12 18.71 2k3a s ALA 49 CO 0.80 -4.73 0.61 1.21 0.00 0.00 0.00 175.76 173.65 2k3a s ASN 50 N 9.87 7.04 -0.10 0.00 2.47 -1.26 -4.99 114.94 127.97 2k3a s ASN 50 Ca 0.82 1.28 0.13 0.00 0.42 0.00 0.00 52.86 55.52 2k3a s ASN 50 Cb -0.13 -2.37 0.56 0.00 -1.45 0.00 0.00 41.25 37.87 2k3a s ASN 50 CO 0.14 0.18 1.42 0.18 -3.72 0.00 0.00 177.10 175.31 2k3a n LEU 51 N 1.29 3.87 0.00 3.21 4.77 -1.26 -4.92 117.00 123.96 2k3a n LEU 51 Ca -0.07 -1.95 -0.13 0.00 -0.03 0.00 0.00 56.01 53.83 2k3a n LEU 51 Cb 0.51 -0.53 -0.01 0.00 -2.33 0.00 0.00 43.42 41.06 2k3a n LEU 51 CO 0.42 0.62 -0.03 -1.22 -1.33 0.00 0.00 177.39 175.85 2k3a n TYR 52 N 0.74 -0.36 -4.30 -1.77 4.01 -1.26 -5.02 117.16 109.20 2k3a n TYR 52 Ca 0.20 -1.05 -0.16 0.00 -0.16 0.00 0.00 57.90 56.73 2k3a n TYR 52 Cb 0.75 -0.17 -0.10 0.00 -0.31 0.00 0.00 39.34 39.51 2k3a n TYR 52 CO 0.00 0.00 0.00 -0.08 -0.46 0.00 0.00 176.86 176.32 2k3a s THR 53 N -1.46 1.36 0.00 -0.72 -1.32 -1.26 -5.03 115.64 107.21 2k3a s THR 53 Ca 0.07 -2.11 0.00 0.00 -1.21 0.00 0.00 61.69 58.44 2k3a s THR 53 Cb -0.01 -1.99 0.00 0.00 -1.51 0.00 0.00 72.50 69.00 2k3a s THR 53 CO 0.05 -0.64 1.13 0.00 -2.21 0.00 0.00 174.62 172.94 2k3a n ALA 54 N -0.29 2.82 -1.28 11.08 0.00 -1.26 -2.76 120.51 128.81 2k3a n ALA 54 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.35 2k3a n ALA 54 Cb 0.61 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.93 2k3a n ALA 54 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k3a n GLY 55 N 1.13 -0.35 3.46 0.00 0.00 -1.26 -5.10 105.19 103.07 2k3a n GLY 55 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 2k3a n GLY 55 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2k3a s GLN 56 N 0.00 1.91 0.49 1.61 -1.52 -1.11 -5.01 119.66 116.03 2k3a s GLN 56 Ca 0.00 -1.08 0.21 0.00 -1.95 0.00 0.00 55.36 52.54 2k3a s GLN 56 Cb 0.00 -2.13 1.26 0.00 -0.22 0.00 0.00 33.01 31.92 2k3a s GLN 56 CO 0.00 0.51 1.98 0.00 -0.25 0.00 0.00 175.29 177.53 2k3a h THR 58 N 0.16 0.00 0.00 0.00 1.35 -1.91 -3.34 112.91 109.16 2k3a h THR 58 Ca 0.28 -0.33 0.00 0.00 -0.55 0.00 0.00 66.41 65.81 2k3a h THR 58 Cb 0.89 1.22 0.00 0.00 -1.73 0.00 0.00 68.15 68.53 2k3a h THR 58 CO -0.04 0.00 0.00 1.87 -0.25 0.00 0.00 175.52 177.10 2k3a n TRP 59 N -2.79 0.00 0.29 4.73 -0.00 -0.51 -3.96 117.44 115.19 2k3a n TRP 59 Ca 0.00 0.00 0.19 0.00 -0.00 0.00 0.00 57.50 57.70 2k3a n TRP 59 Cb 0.23 -0.44 1.03 0.00 -0.00 0.00 0.00 31.31 32.14 2k3a n TRP 59 CO 0.00 0.00 0.00 0.10 -0.00 0.00 0.00 177.69 177.79 2k3a h TYR 60 N 0.00 0.00 -0.24 5.87 -0.00 -1.71 0.11 116.97 121.01 2k3a h TYR 60 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 58.73 58.62 2k3a h TYR 60 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 36.72 2k3a h TYR 60 CO 0.04 0.00 -0.31 0.28 -0.00 0.00 0.00 178.16 178.17 2k3a h VAL 61 N 0.00 1.28 0.01 -0.90 2.07 -1.73 -3.00 116.25 113.98 2k3a h VAL 61 Ca 0.00 -1.39 0.02 0.00 0.82 0.00 0.00 66.70 66.15 2k3a h VAL 61 Cb 0.01 1.44 -0.03 0.00 -1.52 0.00 0.00 31.29 31.19 2k3a h VAL 61 CO 0.00 0.44 -0.13 0.22 0.02 0.00 0.00 177.57 178.12 2k3a h TYR 62 N 0.42 -0.32 -0.74 1.57 3.20 -0.89 -0.98 116.97 119.23 2k3a h TYR 62 Ca 0.05 0.01 0.02 0.00 3.14 0.00 0.00 58.73 61.95 2k3a h TYR 62 Cb 0.75 0.14 -0.04 0.00 1.54 0.00 0.00 36.73 39.13 2k3a h TYR 62 CO 0.03 -0.19 0.48 -0.44 -1.64 0.00 0.00 178.16 176.40 2k3a h ASP 63 N -0.22 0.82 0.14 -2.11 5.19 -1.65 0.17 116.42 118.76 2k3a h ASP 63 Ca 0.04 -0.01 -0.07 0.00 -0.62 0.00 0.00 57.03 56.36 2k3a h ASP 63 Cb 0.27 -0.19 -0.01 0.00 0.18 0.00 0.00 39.33 39.57 2k3a h ASP 63 CO -0.12 0.58 -0.26 0.11 -3.12 0.00 0.00 179.24 176.44 2k3a h LYS 64 N 0.97 0.21 -0.40 3.56 1.79 -1.34 -2.04 116.57 119.32 2k3a h LYS 64 Ca 0.28 -0.07 0.00 0.00 -2.18 0.00 0.00 60.65 58.68 2k3a h LYS 64 Cb -0.07 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 30.57 2k3a h LYS 64 CO -0.08 0.46 0.00 1.55 -1.08 0.00 0.00 179.45 180.30 2k3a n VAL 65 N -4.16 0.53 -1.18 0.50 3.14 -0.40 -4.91 118.33 111.84 2k3a n VAL 65 Ca -0.01 -0.53 -0.06 0.00 -2.96 0.00 0.00 64.34 60.77 2k3a n VAL 65 Cb 0.36 0.28 -0.03 0.00 -1.06 0.00 0.00 33.84 33.39 2k3a n VAL 65 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2k3a n GLY 66 N 1.15 0.77 2.66 7.55 0.00 -0.77 -2.72 105.19 113.83 2k3a n GLY 66 Ca 0.14 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.96 2k3a n GLY 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k3a n GLY 67 N -0.92 0.35 1.27 -0.02 0.00 0.53 -4.74 105.19 101.67 2k3a n GLY 67 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 2k3a n GLY 67 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2k3a n ASN 68 N -0.33 3.86 0.00 1.61 3.02 -1.10 -3.22 115.26 119.10 2k3a n ASN 68 Ca 0.00 -2.08 0.00 0.00 -0.03 0.00 0.00 54.58 52.47 2k3a n ASN 68 Cb 0.17 -0.75 0.00 0.00 -0.61 0.00 0.00 39.78 38.58 2k3a n ASN 68 CO 0.00 0.00 0.00 2.30 -2.62 0.00 0.00 177.26 176.94 2k3a n ILE 69 N 1.04 0.00 0.00 2.41 -5.35 -1.26 -5.03 119.36 111.17 2k3a n ILE 69 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 2k3a n ILE 69 Cb 0.46 -0.91 0.00 0.00 -1.74 0.00 0.00 39.64 37.45 2k3a n ILE 69 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2k3a n GLY 70 N 2.84 1.79 3.49 3.28 0.00 -1.20 -4.74 105.19 110.66 2k3a n GLY 70 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2k3a n GLY 70 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2k3a n SER 71 N 0.00 -2.82 -0.34 1.61 3.41 -1.26 -4.77 113.62 109.45 2k3a n SER 71 Ca 0.00 0.00 0.03 0.00 -0.26 0.00 0.00 58.87 58.64 2k3a n SER 71 Cb 0.00 -2.93 0.11 0.00 -0.26 0.00 0.00 64.21 61.13 2k3a n SER 71 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 2k3a n THR 72 N -1.95 0.24 0.11 6.66 5.66 -1.26 -3.92 114.28 119.82 2k3a n THR 72 Ca 0.00 -0.24 -0.18 0.00 -3.05 0.00 0.00 64.05 60.57 2k3a n THR 72 Cb 0.24 0.12 -0.13 0.00 -1.55 0.00 0.00 70.33 69.00 2k3a n THR 72 CO 0.00 0.00 0.00 -0.50 -3.05 0.00 0.00 175.07 171.52 2k3a h TRP 73 N 1.09 0.67 0.00 1.09 6.55 -1.93 -3.49 115.95 119.93 2k3a h TRP 73 Ca 0.00 -0.47 0.00 0.00 0.95 0.00 0.00 58.89 59.37 2k3a h TRP 73 Cb 0.25 -0.04 0.00 0.00 -0.86 0.00 0.00 29.16 28.51 2k3a h TRP 73 CO 0.12 1.35 0.00 0.41 -1.05 0.00 0.00 178.44 179.27 2k3a n GLY 74 N 1.50 1.51 3.61 1.49 0.00 -1.25 -4.68 105.19 107.36 2k3a n GLY 74 Ca -0.11 -0.71 -0.43 0.00 0.00 0.00 0.00 46.02 44.77 2k3a n GLY 74 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2k3a n ASN 75 N 6.20 1.42 0.13 1.61 4.13 -1.26 -4.86 115.26 122.64 2k3a n ASN 75 Ca 0.00 1.13 0.04 0.00 1.68 0.00 0.00 54.58 57.43 2k3a n ASN 75 Cb 0.00 -1.33 0.47 0.00 -1.54 0.00 0.00 39.78 37.37 2k3a n ASN 75 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2k3a h ALA 76 N 1.88 1.69 0.00 5.41 0.00 -1.83 0.20 119.26 126.61 2k3a h ALA 76 Ca -0.42 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.38 2k3a h ALA 76 Cb 1.33 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.04 2k3a h ALA 76 CO 0.59 0.24 0.00 0.27 0.00 0.00 0.00 179.25 180.35 2k3a n ASN 77 N -4.39 0.00 -0.07 0.00 6.94 -0.56 -3.31 115.26 113.87 2k3a n ASN 77 Ca -0.00 -1.10 0.03 0.00 -0.02 0.00 0.00 54.58 53.49 2k3a n ASN 77 Cb 0.17 0.00 -0.01 0.00 -2.36 0.00 0.00 39.78 37.58 2k3a n ASN 77 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03 2k3a n ASN 78 N -0.90 0.63 0.34 0.53 5.15 0.05 -4.71 115.26 116.34 2k3a n ASN 78 Ca 0.18 -0.82 -0.17 0.00 -0.60 0.00 0.00 54.58 53.17 2k3a n ASN 78 Cb 0.08 0.70 -0.09 0.00 -0.53 0.00 0.00 39.78 39.94 2k3a n ASN 78 CO 0.00 0.00 0.00 -0.50 1.40 0.00 0.00 177.26 178.16 2k3a h TRP 79 N 0.36 -0.84 -0.22 1.20 4.06 -1.52 -0.96 115.95 118.03 2k3a h TRP 79 Ca 0.00 -0.02 -0.08 0.00 2.06 0.00 0.00 58.89 60.86 2k3a h TRP 79 Cb 0.16 0.29 -0.01 0.00 -1.00 0.00 0.00 29.16 28.60 2k3a h TRP 79 CO 0.00 -0.51 -0.19 0.00 -3.56 0.00 0.00 178.44 174.18 2k3a h ALA 80 N -0.49 1.27 0.25 1.49 0.00 -1.86 0.15 119.26 120.06 2k3a h ALA 80 Ca -0.08 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 2k3a h ALA 80 Cb 0.67 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.35 2k3a h ALA 80 CO 0.11 0.48 -0.12 0.77 0.00 0.00 0.00 179.25 180.50 2k3a h SER 81 N 0.35 -0.28 -0.43 0.00 0.02 -1.80 -0.28 113.55 111.13 2k3a h SER 81 Ca 0.06 -0.02 -0.15 0.00 -0.84 0.00 0.00 61.79 60.85 2k3a h SER 81 Cb 0.55 0.07 -0.01 0.00 0.14 0.00 0.00 62.40 63.15 2k3a h SER 81 CO 0.04 -0.17 -0.30 0.00 -1.14 0.00 0.00 176.83 175.25 2k3a h ALA 82 N 0.38 0.61 0.56 3.77 0.00 -1.01 -2.40 119.26 121.16 2k3a h ALA 82 Ca -0.03 -0.42 -0.02 0.00 0.00 0.00 0.00 54.91 54.43 2k3a h ALA 82 Cb 0.28 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2k3a h ALA 82 CO 0.06 0.66 -0.43 0.00 0.00 0.00 0.00 179.25 179.53 2k3a h ALA 83 N 0.81 -1.02 -0.75 0.00 0.00 -0.67 0.23 119.26 117.86 2k3a h ALA 83 Ca 0.08 -0.18 0.03 0.00 0.00 0.00 0.00 54.91 54.84 2k3a h ALA 83 Cb 0.89 0.58 -0.04 0.00 0.00 0.00 0.00 17.79 19.22 2k3a h ALA 83 CO 0.08 -1.10 0.49 0.66 0.00 0.00 0.00 179.25 179.38 2k3a h SER 84 N -0.96 0.79 -0.26 0.00 4.64 -1.08 0.20 113.55 116.88 2k3a h SER 84 Ca -0.06 -0.01 -0.19 0.00 -0.47 0.00 0.00 61.79 61.06 2k3a h SER 84 Cb 0.81 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 62.72 2k3a h SER 84 CO 0.01 0.55 -0.57 -1.28 -0.87 0.00 0.00 176.83 174.66 2k3a h SER 85 N 0.92 0.97 -0.06 4.97 0.87 -1.27 -3.18 113.55 116.78 2k3a h SER 85 Ca 0.30 -0.53 0.00 0.00 -1.23 0.00 0.00 61.79 60.32 2k3a h SER 85 Cb 0.04 -0.28 0.00 0.00 -0.44 0.00 0.00 62.40 61.72 2k3a h SER 85 CO -0.08 1.33 0.00 0.00 -0.53 0.00 0.00 176.83 177.55 2k3a n ALA 86 N -2.57 2.50 -0.40 6.23 0.00 0.79 -4.85 120.51 122.20 2k3a n ALA 86 Ca -0.05 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.29 2k3a n ALA 86 Cb 0.64 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.10 2k3a n ALA 86 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k3a n GLY 87 N 0.56 0.75 3.83 0.00 0.00 -1.00 -5.03 105.19 104.30 2k3a n GLY 87 Ca 0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 2k3a n GLY 87 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2k3a s TYR 88 N -2.41 3.03 -0.53 1.61 2.02 0.66 -4.99 117.35 116.74 2k3a s TYR 88 Ca 0.00 1.13 -0.15 0.00 -0.37 0.00 0.00 57.07 57.68 2k3a s TYR 88 Cb 0.00 -3.08 0.13 0.00 -0.40 0.00 0.00 41.96 38.60 2k3a s TYR 88 CO 0.00 -1.52 0.48 0.99 -1.57 0.00 0.00 175.55 173.93 2k3a s THR 89 N -3.22 5.14 -0.24 -0.71 2.01 -1.19 -4.21 115.64 113.22 2k3a s THR 89 Ca 0.60 -1.49 -0.06 0.00 0.31 0.00 0.00 61.69 61.05 2k3a s THR 89 Cb -0.13 -4.28 -0.02 0.00 0.01 0.00 0.00 72.50 68.08 2k3a s THR 89 CO 0.53 -0.84 0.02 -0.69 -0.69 0.00 0.00 174.62 172.95 2k3a s VAL 90 N 1.59 3.87 0.21 3.82 1.01 -1.26 0.62 120.40 130.26 2k3a s VAL 90 Ca 0.03 -0.33 0.05 0.00 0.00 0.00 0.00 61.98 61.73 2k3a s VAL 90 Cb -0.29 -2.80 -0.02 0.00 0.00 0.00 0.00 36.38 33.27 2k3a s VAL 90 CO 0.03 0.37 0.18 0.59 0.00 0.00 0.00 175.10 176.27 2k3a n ASN 91 N 4.87 -0.46 -0.99 3.32 4.13 0.03 -4.94 115.26 121.21 2k3a n ASN 91 Ca -0.17 -2.38 0.12 0.00 1.68 0.00 0.00 54.58 53.82 2k3a n ASN 91 Cb 0.51 1.07 0.24 0.00 -1.54 0.00 0.00 39.78 40.06 2k3a n ASN 91 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 2k3a n ASN 92 N -2.16 2.99 -4.62 6.41 4.13 -1.26 -0.46 115.26 120.28 2k3a n ASN 92 Ca 0.05 -1.93 -0.43 0.00 1.68 0.00 0.00 54.58 53.95 2k3a n ASN 92 Cb 0.38 -0.18 -0.03 0.00 -1.54 0.00 0.00 39.78 38.42 2k3a n ASN 92 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 2k3a s SER 93 N -1.59 6.22 -0.07 6.41 0.01 -1.26 -4.78 113.70 118.63 2k3a s SER 93 Ca 0.36 1.69 0.03 0.00 1.31 0.00 0.00 55.95 59.33 2k3a s SER 93 Cb 0.21 -2.53 0.18 0.00 0.21 0.00 0.00 66.02 64.10 2k3a s SER 93 CO 0.30 -1.38 0.92 -0.81 0.41 0.00 0.00 173.24 172.68 2k3a n PRO 94 N 7.87 1.74 -1.79 12.44 -0.04 -1.26 -4.80 135.00 149.17 2k3a n PRO 94 Ca 0.21 -0.73 -0.37 0.00 -0.04 0.00 0.00 63.50 62.56 2k3a n PRO 94 Cb 0.45 -1.57 0.06 0.00 -0.04 0.00 0.00 33.50 32.41 2k3a n PRO 94 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 2k3a s GLU 95 N -1.23 2.67 1.01 0.54 -1.05 -1.26 -4.83 118.70 114.55 2k3a s GLU 95 Ca 0.13 2.04 -0.11 0.00 -0.15 0.00 0.00 54.97 56.88 2k3a s GLU 95 Cb 0.10 -1.89 0.19 0.00 -0.44 0.00 0.00 34.13 32.09 2k3a s GLU 95 CO 0.03 -1.50 1.04 0.00 0.95 0.00 0.00 175.26 175.78 2k3a n ALA 96 N -1.78 -1.66 -2.60 -0.84 0.00 -1.26 -3.79 120.51 108.58 2k3a n ALA 96 Ca 0.15 -0.78 -0.12 0.00 0.00 0.00 0.00 53.44 52.70 2k3a n ALA 96 Cb 0.48 -2.10 0.02 0.00 0.00 0.00 0.00 19.45 17.85 2k3a n ALA 96 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k3a n GLY 97 N 0.61 0.04 3.17 0.00 0.00 -1.19 -5.03 105.19 102.79 2k3a n GLY 97 Ca 0.09 -0.32 -0.11 0.00 0.00 0.00 0.00 46.02 45.68 2k3a n GLY 97 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k3a s SER 98 N -2.81 0.46 -0.14 1.61 0.01 -1.25 -4.50 113.70 107.09 2k3a s SER 98 Ca 0.14 -1.23 0.01 0.00 1.31 0.00 0.00 55.95 56.18 2k3a s SER 98 Cb -0.06 0.27 -0.00 0.00 0.21 0.00 0.00 66.02 66.44 2k3a s SER 98 CO 0.17 -0.72 -0.17 -0.63 0.41 0.00 0.00 173.24 172.30 2k3a s ILE 99 N -3.99 2.58 -0.03 1.44 1.09 -0.82 -0.27 121.20 121.21 2k3a s ILE 99 Ca 0.26 -0.81 -0.04 0.00 -1.10 0.00 0.00 60.65 58.96 2k3a s ILE 99 Cb 0.07 -2.06 -0.04 0.00 -1.06 0.00 0.00 42.46 39.37 2k3a s ILE 99 CO 0.04 0.53 0.18 -1.48 -0.10 0.00 0.00 174.94 174.11 2k3a s LEU 100 N 0.59 4.37 -0.07 2.97 2.34 -0.56 0.08 118.68 128.42 2k3a s LEU 100 Ca -0.10 0.38 0.05 0.00 0.06 0.00 0.00 54.13 54.53 2k3a s LEU 100 Cb -0.16 -2.52 -0.00 0.00 -0.56 0.00 0.00 46.19 42.94 2k3a s LEU 100 CO 0.03 0.29 -0.23 -1.58 -1.06 0.00 0.00 176.35 173.80 2k3a s GLN 101 N -1.76 2.49 -0.26 1.48 0.74 0.89 -2.30 119.66 120.94 2k3a s GLN 101 Ca 0.25 -0.82 -0.04 0.00 0.05 0.00 0.00 55.36 54.81 2k3a s GLN 101 Cb -0.13 -2.04 0.02 0.00 1.10 0.00 0.00 33.01 31.96 2k3a s GLN 101 CO 0.16 0.28 -0.01 0.45 -0.55 0.00 0.00 175.29 175.62 2k3a s SER 102 N 0.06 4.61 -0.06 6.67 0.15 0.75 -2.10 113.70 123.78 2k3a s SER 102 Ca -0.08 -0.76 0.12 0.00 0.70 0.00 0.00 55.95 55.92 2k3a s SER 102 Cb -0.15 -1.75 0.44 0.00 -1.71 0.00 0.00 66.02 62.85 2k3a s SER 102 CO 0.05 -0.14 1.30 0.35 1.20 0.00 0.00 173.24 176.00 2k3a n THR 103 N 4.75 1.02 -0.03 6.45 -2.24 -1.26 -0.96 114.28 122.01 2k3a n THR 103 Ca -0.16 -0.70 -0.16 0.00 -2.27 0.00 0.00 64.05 60.77 2k3a n THR 103 Cb 0.48 0.04 -0.09 0.00 -2.10 0.00 0.00 70.33 68.66 2k3a n THR 103 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2k3a h ALA 104 N 3.59 0.18 -1.71 6.98 0.00 -1.96 -3.39 119.26 122.95 2k3a h ALA 104 Ca 0.00 -0.48 -0.79 0.00 0.00 0.00 0.00 54.91 53.64 2k3a h ALA 104 Cb 0.91 -0.01 -0.24 0.00 0.00 0.00 0.00 17.79 18.46 2k3a h ALA 104 CO 0.12 0.32 1.13 0.41 0.00 0.00 0.00 179.25 181.22 2k3a n GLY 105 N 0.71 4.81 5.79 0.00 0.00 -1.26 -4.97 105.19 110.26 2k3a n GLY 105 Ca -0.08 -2.45 0.00 0.00 0.00 0.00 0.00 46.02 43.48 2k3a n GLY 105 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k3a n GLY 106 N 2.10 0.38 0.30 -0.02 0.00 -1.26 -0.91 105.19 105.77 2k3a n GLY 106 Ca 0.30 0.37 0.17 0.00 0.00 0.00 0.00 46.02 46.86 2k3a n GLY 106 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2k3a h TYR 107 N 0.00 0.00 0.00 1.61 3.20 -1.93 -3.45 116.97 116.40 2k3a h TYR 107 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 2k3a h TYR 107 Cb 0.00 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.27 2k3a h TYR 107 CO 0.00 0.02 0.00 0.41 -1.64 0.00 0.00 178.16 176.95 2k3a n GLY 108 N -1.10 0.79 3.03 1.82 0.00 -0.09 -1.49 105.19 108.14 2k3a n GLY 108 Ca -0.03 -1.94 -0.12 0.00 0.00 0.00 0.00 46.02 43.93 2k3a n GLY 108 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2k3a s HIS 109 N -1.88 -0.11 0.02 1.61 2.46 -0.13 -4.68 115.29 112.58 2k3a s HIS 109 Ca 0.00 0.26 0.00 0.00 0.47 0.00 0.00 55.06 55.79 2k3a s HIS 109 Cb 0.00 0.03 -0.01 0.00 -0.13 0.00 0.00 32.58 32.46 2k3a s HIS 109 CO 0.00 -0.11 -0.03 0.14 -2.47 0.00 0.00 174.74 172.27 2k3a s VAL 110 N -0.21 0.16 0.04 0.89 -7.23 -1.26 -0.18 120.40 112.61 2k3a s VAL 110 Ca -0.03 -0.62 -0.19 0.00 -1.81 0.00 0.00 61.98 59.34 2k3a s VAL 110 Cb -0.02 -0.24 0.04 0.00 0.56 0.00 0.00 36.38 36.72 2k3a s VAL 110 CO 0.00 -0.29 0.43 0.00 -0.31 0.00 0.00 175.10 174.93 2k3a s ALA 111 N -0.92 -1.07 -0.24 1.32 0.00 -0.97 -4.74 121.76 115.13 2k3a s ALA 111 Ca -0.09 0.37 -0.19 0.00 0.00 0.00 0.00 51.96 52.05 2k3a s ALA 111 Cb -0.06 0.35 -0.03 0.00 0.00 0.00 0.00 23.12 23.38 2k3a s ALA 111 CO -0.00 -0.46 0.56 -0.47 0.00 0.00 0.00 175.76 175.38 2k3a s TYR 112 N -2.45 3.30 -0.17 0.00 5.04 -1.12 -1.49 117.35 120.46 2k3a s TYR 112 Ca -0.05 0.74 -0.29 0.00 -2.44 0.00 0.00 57.07 55.03 2k3a s TYR 112 Cb -0.01 -2.75 -0.05 0.00 0.35 0.00 0.00 41.96 39.51 2k3a s TYR 112 CO -0.02 -0.25 1.88 0.08 -1.34 0.00 0.00 175.55 175.91 2k3a s VAL 113 N 2.18 3.33 -0.10 3.14 1.01 0.62 0.11 120.40 130.69 2k3a s VAL 113 Ca 0.24 0.37 -0.11 0.00 0.00 0.00 0.00 61.98 62.47 2k3a s VAL 113 Cb -0.16 -3.34 -0.09 0.00 0.00 0.00 0.00 36.38 32.79 2k3a s VAL 113 CO 0.09 -0.15 0.34 -0.33 0.00 0.00 0.00 175.10 175.05 2k3a h GLU 114 N 12.11 -0.05 -2.93 2.72 4.39 -0.51 -3.16 114.58 127.15 2k3a h GLU 114 Ca -0.39 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.17 2k3a h GLU 114 Cb 1.20 0.01 -0.24 0.00 -0.10 0.00 0.00 28.75 29.62 2k3a h GLU 114 CO 0.98 0.27 -0.31 1.21 -1.16 0.00 0.00 179.01 180.00 2k3a s ASN 115 N -5.69 -0.33 -0.18 1.42 2.47 -0.78 -4.79 114.94 107.07 2k3a s ASN 115 Ca -0.07 0.58 -0.04 0.00 0.42 0.00 0.00 52.86 53.75 2k3a s ASN 115 Cb -0.01 0.63 -0.02 0.00 -1.45 0.00 0.00 41.25 40.40 2k3a s ASN 115 CO 0.25 -0.17 -0.02 -0.69 -3.72 0.00 0.00 177.10 172.75 2k3a s VAL 116 N -0.07 3.83 0.06 -5.21 1.01 -1.26 -0.56 120.40 118.19 2k3a s VAL 116 Ca -0.02 -0.36 -0.10 0.00 0.00 0.00 0.00 61.98 61.49 2k3a s VAL 116 Cb -0.03 -2.71 -0.06 0.00 0.00 0.00 0.00 36.38 33.59 2k3a s VAL 116 CO 0.01 0.46 0.39 0.20 0.00 0.00 0.00 175.10 176.15 2k3a s ASN 117 N 0.79 6.65 0.57 3.32 0.01 -0.00 -4.98 114.94 121.29 2k3a s ASN 117 Ca -0.01 0.79 0.28 0.00 -0.71 0.00 0.00 52.86 53.21 2k3a s ASN 117 Cb -0.14 -2.18 1.69 0.00 0.41 0.00 0.00 41.25 41.03 2k3a s ASN 117 CO 0.02 0.21 2.21 -1.28 -1.51 0.00 0.00 177.10 176.75 2k3a h SER 118 N 3.93 0.00 0.37 -1.22 0.87 -2.00 0.10 113.55 115.60 2k3a h SER 118 Ca -0.50 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.06 2k3a h SER 118 Cb 1.20 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.16 2k3a h SER 118 CO 0.65 0.03 0.00 0.44 -0.53 0.00 0.00 176.83 177.42 2k3a h ASP 119 N 0.00 0.00 0.00 6.23 5.19 -2.05 -3.45 116.42 122.34 2k3a h ASP 119 Ca -0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2k3a h ASP 119 Cb 0.07 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.58 2k3a h ASP 119 CO 0.00 0.00 0.00 0.61 -3.12 0.00 0.00 179.24 176.73 2k3a n GLY 120 N -0.68 1.79 3.67 2.75 0.00 0.36 -4.85 105.19 108.22 2k3a n GLY 120 Ca -0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 2k3a n GLY 120 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k3a s SER 121 N -1.70 6.66 -0.28 1.61 0.01 -1.24 -3.38 113.70 115.39 2k3a s SER 121 Ca 0.00 2.27 -0.07 0.00 1.31 0.00 0.00 55.95 59.46 2k3a s SER 121 Cb 0.00 -2.54 -0.01 0.00 0.21 0.00 0.00 66.02 63.69 2k3a s SER 121 CO 0.00 -0.91 0.07 -0.69 0.41 0.00 0.00 173.24 172.12 2k3a s VAL 122 N 3.76 4.08 -0.37 3.43 1.01 0.35 -0.82 120.40 131.84 2k3a s VAL 122 Ca 0.73 -0.49 -0.17 0.00 0.00 0.00 0.00 61.98 62.06 2k3a s VAL 122 Cb -0.34 -3.02 -0.00 0.00 0.00 0.00 0.00 36.38 33.01 2k3a s VAL 122 CO 0.30 0.19 0.42 -1.61 0.00 0.00 0.00 175.10 174.40 2k3a s GLU 123 N 1.54 3.45 0.37 2.72 2.02 0.27 -0.63 118.70 128.45 2k3a s GLU 123 Ca 0.04 -0.45 0.08 0.00 0.02 0.00 0.00 54.97 54.66 2k3a s GLU 123 Cb -0.16 -3.85 -0.03 0.00 0.10 0.00 0.00 34.13 30.19 2k3a s GLU 123 CO 0.03 -0.65 0.31 0.14 0.02 0.00 0.00 175.26 175.11 2k3a s VAL 124 N 2.15 3.13 -0.40 2.63 -7.23 0.14 0.22 120.40 121.05 2k3a s VAL 124 Ca 0.14 -1.39 -0.08 0.00 -1.81 0.00 0.00 61.98 58.84 2k3a s VAL 124 Cb -0.16 -3.09 0.07 0.00 0.56 0.00 0.00 36.38 33.76 2k3a s VAL 124 CO 0.13 -0.10 0.22 -0.55 -0.31 0.00 0.00 175.10 174.48 2k3a s SER 125 N -4.04 5.52 -0.08 4.85 0.15 0.29 -0.30 113.70 120.10 2k3a s SER 125 Ca 0.44 -1.47 -0.03 0.00 0.70 0.00 0.00 55.95 55.59 2k3a s SER 125 Cb -0.04 -1.94 0.04 0.00 -1.71 0.00 0.00 66.02 62.37 2k3a s SER 125 CO 0.27 -0.49 0.11 -1.83 1.20 0.00 0.00 173.24 172.50 2k3a s GLU 126 N 1.39 -0.01 -0.13 5.44 -1.05 0.10 -2.79 118.70 121.65 2k3a s GLU 126 Ca 0.02 0.41 -0.29 0.00 -0.15 0.00 0.00 54.97 54.96 2k3a s GLU 126 Cb -0.22 -0.57 -0.04 0.00 -0.44 0.00 0.00 34.13 32.86 2k3a s GLU 126 CO 0.02 -0.37 1.69 1.41 0.95 0.00 0.00 175.26 178.95 2k3a s MET 127 N 2.23 3.95 0.00 -4.83 -2.45 -1.26 -3.44 119.30 113.50 2k3a s MET 127 Ca 0.04 1.97 0.00 0.00 -1.25 0.00 0.00 55.69 56.45 2k3a s MET 127 Cb -0.13 -4.04 0.00 0.00 1.25 0.00 0.00 34.83 31.92 2k3a s MET 127 CO -0.05 -1.12 0.00 -1.71 1.05 0.00 0.00 175.02 173.18 2k3a n ASN 128 N 8.01 0.00 0.00 1.11 5.15 -1.26 -4.90 115.26 123.37 2k3a n ASN 128 Ca 0.19 0.00 -0.02 0.00 -0.60 0.00 0.00 54.58 54.15 2k3a n ASN 128 Cb 0.44 -0.05 -0.01 0.00 -0.53 0.00 0.00 39.78 39.64 2k3a n ASN 128 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2k3a n TYR 129 N -1.60 0.00 -4.38 1.20 9.36 -1.26 -5.08 117.16 115.40 2k3a n TYR 129 Ca 0.00 0.00 -0.25 0.00 3.32 0.00 0.00 57.90 60.97 2k3a n TYR 129 Cb 0.00 -0.05 -0.13 0.00 -0.63 0.00 0.00 39.34 38.53 2k3a n TYR 129 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 2k3a s ASN 130 N -5.35 2.66 0.00 2.98 3.84 -1.26 -4.95 114.94 112.86 2k3a s ASN 130 Ca -0.02 -0.66 0.00 0.00 0.21 0.00 0.00 52.86 52.38 2k3a s ASN 130 Cb 0.01 -0.17 0.00 0.00 -0.55 0.00 0.00 41.25 40.54 2k3a s ASN 130 CO 0.03 0.10 0.00 0.61 -2.79 0.00 0.00 177.10 175.05 2k3a n GLY 131 N 1.22 -0.45 0.00 1.21 0.00 -1.26 -4.59 105.19 101.32 2k3a n GLY 131 Ca -0.19 0.32 0.00 0.00 0.00 0.00 0.00 46.02 46.15 2k3a n GLY 131 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k3a n GLY 132 N 0.00 4.05 0.38 -0.02 0.00 -1.18 -4.70 105.19 103.73 2k3a n GLY 132 Ca 0.00 -1.08 0.16 0.00 0.00 0.00 0.00 46.02 45.10 2k3a n GLY 132 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2k3a h PRO 133 N 0.00 0.54 -0.00 1.61 0.11 -2.02 -2.70 132.00 129.54 2k3a h PRO 133 Ca 0.00 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.08 2k3a h PRO 133 Cb 0.00 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 30.99 2k3a h PRO 133 CO 0.00 0.36 -0.11 1.19 -0.21 0.00 0.00 178.00 179.23 2k3a n PHE 134 N -4.56 0.00 -3.72 0.65 3.72 -1.26 -5.00 117.46 107.29 2k3a n PHE 134 Ca 0.19 0.00 -0.36 0.00 -0.05 0.00 0.00 57.45 57.23 2k3a n PHE 134 Cb 0.60 0.00 -0.09 0.00 -0.94 0.00 0.00 39.48 39.05 2k3a n PHE 134 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 2k3a s SER 135 N -0.95 6.14 -0.04 4.37 0.15 -1.02 -5.08 113.70 117.27 2k3a s SER 135 Ca 0.03 0.18 -0.13 0.00 0.70 0.00 0.00 55.95 56.73 2k3a s SER 135 Cb 0.03 -2.09 -0.05 0.00 -1.71 0.00 0.00 66.02 62.20 2k3a s SER 135 CO 0.12 0.14 0.34 -0.69 1.20 0.00 0.00 173.24 174.34 2k3a s VAL 136 N 0.61 5.16 1.01 4.45 1.01 -1.26 -3.10 120.40 128.27 2k3a s VAL 136 Ca 0.08 0.67 -0.16 0.00 0.00 0.00 0.00 61.98 62.57 2k3a s VAL 136 Cb -0.12 -3.63 0.20 0.00 0.00 0.00 0.00 36.38 32.83 2k3a s VAL 136 CO 0.00 0.58 1.20 -0.44 0.00 0.00 0.00 175.10 176.44 2k3a s SER 137 N -0.99 2.70 -0.03 3.32 0.01 -1.22 -4.81 113.70 112.67 2k3a s SER 137 Ca 0.21 0.61 0.02 0.00 1.31 0.00 0.00 55.95 58.10 2k3a s SER 137 Cb -0.15 -0.90 0.01 0.00 0.21 0.00 0.00 66.02 65.19 2k3a s SER 137 CO 0.11 -3.02 -0.07 -1.61 0.41 0.00 0.00 173.24 169.05 2k3a s GLU 138 N -5.55 0.88 -0.18 12.44 2.02 -1.26 0.01 118.70 127.06 2k3a s GLU 138 Ca 0.69 -0.22 -0.02 0.00 0.02 0.00 0.00 54.97 55.44 2k3a s GLU 138 Cb -0.09 -0.84 -0.00 0.00 0.10 0.00 0.00 34.13 33.30 2k3a s GLU 138 CO 0.54 0.04 -0.11 0.50 0.02 0.00 0.00 175.26 176.25 2k3a s ARG 139 N 0.43 3.29 -0.69 1.61 6.06 0.59 -4.90 118.95 125.34 2k3a s ARG 139 Ca -0.06 -0.69 -0.24 0.00 -2.50 0.00 0.00 55.73 52.24 2k3a s ARG 139 Cb -0.10 -2.79 0.06 0.00 0.06 0.00 0.00 34.95 32.18 2k3a s ARG 139 CO 0.00 -0.08 1.06 0.99 -2.50 0.00 0.00 175.30 174.78 2k3a s THR 140 N 1.10 4.15 -0.00 4.11 2.01 -1.26 -0.68 115.64 125.06 2k3a s THR 140 Ca 0.00 -0.15 -0.15 0.00 0.31 0.00 0.00 61.69 61.70 2k3a s THR 140 Cb -0.14 -4.76 -0.06 0.00 0.01 0.00 0.00 72.50 67.55 2k3a s THR 140 CO -0.03 -1.58 0.41 -0.63 -0.69 0.00 0.00 174.62 172.10 2k3a s ILE 141 N 4.55 5.03 0.57 1.82 1.01 0.20 -4.93 121.20 129.45 2k3a s ILE 141 Ca 0.26 0.84 -0.19 0.00 0.00 0.00 0.00 60.65 61.57 2k3a s ILE 141 Cb -0.14 -3.71 -0.05 0.00 0.01 0.00 0.00 42.46 38.57 2k3a s ILE 141 CO 0.11 0.57 1.14 -0.44 0.00 0.00 0.00 174.94 176.32 2k3a s SER 142 N -1.04 5.56 0.14 3.58 0.01 -1.26 -0.50 113.70 120.19 2k3a s SER 142 Ca 0.24 2.18 -0.22 0.00 1.31 0.00 0.00 55.95 59.45 2k3a s SER 142 Cb -0.17 -2.58 0.01 0.00 0.21 0.00 0.00 66.02 63.50 2k3a s SER 142 CO 0.13 -1.33 1.65 0.00 0.41 0.00 0.00 173.24 174.10 2k3a h ALA 143 N 0.98 -0.08 0.00 1.44 0.00 -1.88 0.17 119.26 119.89 2k3a h ALA 143 Ca -0.50 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.48 2k3a h ALA 143 Cb 1.26 0.40 0.00 0.00 0.00 0.00 0.00 17.79 19.46 2k3a h ALA 143 CO 0.56 -0.63 0.00 0.41 0.00 0.00 0.00 179.25 179.60 2k3a n GLY 144 N -1.34 -0.79 0.21 0.00 0.00 -1.26 -2.40 105.19 99.61 2k3a n GLY 144 Ca -0.02 0.11 -0.27 0.00 0.00 0.00 0.00 46.02 45.85 2k3a n GLY 144 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2k3a n GLU 145 N -1.97 0.54 -0.01 1.61 4.07 -0.45 -4.64 120.64 119.79 2k3a n GLU 145 Ca -0.00 0.24 -0.10 0.00 -0.06 0.00 0.00 57.16 57.23 2k3a n GLU 145 Cb 0.05 -1.40 -0.04 0.00 -0.06 0.00 0.00 31.44 29.98 2k3a n GLU 145 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2k3a h ALA 146 N -0.89 0.05 0.00 4.31 0.00 -0.53 -2.15 119.26 120.05 2k3a h ALA 146 Ca -0.64 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.31 2k3a h ALA 146 Cb 1.57 0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.50 2k3a h ALA 146 CO -0.39 -0.51 0.00 0.43 0.00 0.00 0.00 179.25 178.78 2k3a n SER 147 N -5.19 0.00 0.18 0.00 7.64 -1.01 -1.10 113.62 114.14 2k3a n SER 147 Ca -0.04 0.47 0.12 0.00 1.01 0.00 0.00 58.87 60.43 2k3a n SER 147 Cb 0.12 -0.48 0.12 0.00 -1.01 0.00 0.00 64.21 62.96 2k3a n SER 147 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 2k3a h SER 148 N 0.00 0.00 -3.71 6.43 0.87 -1.65 -3.47 113.55 112.02 2k3a h SER 148 Ca 0.00 -0.00 -0.49 0.00 -1.23 0.00 0.00 61.79 60.07 2k3a h SER 148 Cb 0.02 0.00 0.05 0.00 -0.44 0.00 0.00 62.40 62.02 2k3a h SER 148 CO 0.00 0.00 0.18 -0.31 -0.53 0.00 0.00 176.83 176.17 2k3a s TYR 149 N -3.26 3.47 -0.30 2.24 2.02 -0.26 -5.05 117.35 116.22 2k3a s TYR 149 Ca 0.05 0.82 -0.21 0.00 -0.37 0.00 0.00 57.07 57.36 2k3a s TYR 149 Cb 0.07 -2.51 -0.01 0.00 -0.40 0.00 0.00 41.96 39.11 2k3a s TYR 149 CO 0.71 -0.52 0.67 -0.80 -1.57 0.00 0.00 175.55 174.04 2k3a s ASN 150 N -4.18 6.55 -0.37 2.29 0.01 -0.89 -4.69 114.94 113.65 2k3a s ASN 150 Ca 0.51 0.53 -0.14 0.00 -0.71 0.00 0.00 52.86 53.05 2k3a s ASN 150 Cb -0.10 -2.35 -0.00 0.00 0.41 0.00 0.00 41.25 39.20 2k3a s ASN 150 CO 0.46 -0.49 0.27 -0.31 -1.51 0.00 0.00 177.10 175.52 2k3a s TYR 151 N 2.68 3.23 0.07 2.20 1.51 0.39 -0.08 117.35 127.35 2k3a s TYR 151 Ca 0.27 -0.36 -0.27 0.00 -1.01 0.00 0.00 57.07 55.70 2k3a s TYR 151 Cb -0.15 -2.53 -0.06 0.00 -0.11 0.00 0.00 41.96 39.11 2k3a s TYR 151 CO 0.11 -0.46 0.83 0.42 -1.11 0.00 0.00 175.55 175.35 2k3a s ILE 152 N 1.72 4.64 0.02 2.71 1.09 0.11 -0.79 121.20 130.69 2k3a s ILE 152 Ca 0.06 1.79 0.08 0.00 -1.10 0.00 0.00 60.65 61.47 2k3a s ILE 152 Cb -0.18 -4.19 -0.02 0.00 -1.06 0.00 0.00 42.46 37.01 2k3a s ILE 152 CO 0.10 0.35 -0.22 -1.00 -0.10 0.00 0.00 174.94 174.07 2k3a s HIS 153 N -0.07 1.99 -0.11 3.97 3.76 0.20 -1.94 115.29 123.09 2k3a s HIS 153 Ca 0.41 -0.38 0.03 0.00 -0.15 0.00 0.00 55.06 54.97 2k3a s HIS 153 Cb -0.22 -1.22 -0.09 0.00 1.11 0.00 0.00 32.58 32.16 2k3a s HIS 153 CO 0.25 0.05 -0.07 1.28 -0.85 0.00 0.00 174.74 175.40 2k3a n LEU 154 N 2.11 2.30 0.00 0.89 4.77 -1.26 -3.19 117.00 122.62 2k3a n LEU 154 Ca -0.16 -0.05 0.00 0.00 -0.03 0.00 0.00 56.01 55.77 2k3a n LEU 154 Cb 0.53 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 2k3a n LEU 154 CO 0.23 0.60 0.00 -3.20 -1.33 0.00 0.00 177.39 173.69