#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 3.67 -0.13 3.17 3.01 -1.26 -4.99 119.74 123.22 2k3a s LYS 2 Ca 0.00 -3.21 -0.04 0.00 -1.01 0.00 0.00 55.97 51.71 2k3a s LYS 2 Cb 0.00 -4.23 0.07 0.00 -1.01 0.00 0.00 37.83 32.66 2k3a s LYS 2 CO 0.00 -1.25 0.23 0.15 0.51 0.00 0.00 175.35 174.99 2k3a s LYS 3 N -1.23 0.13 0.23 1.68 -0.14 -1.26 -5.16 119.74 114.00 2k3a s LYS 3 Ca 0.28 0.59 -0.15 0.00 -1.36 0.00 0.00 55.97 55.34 2k3a s LYS 3 Cb -0.09 -0.33 0.01 0.00 -1.68 0.00 0.00 37.83 35.74 2k3a s LYS 3 CO -0.10 -0.37 0.50 -0.48 -0.76 0.00 0.00 175.35 174.14 2k3a s LEU 4 N 2.37 0.25 -0.05 3.17 0.05 -1.26 -5.17 118.68 118.04 2k3a s LEU 4 Ca 0.03 -0.79 -0.04 0.00 0.05 0.00 0.00 54.13 53.38 2k3a s LEU 4 Cb -0.13 1.92 -0.04 0.00 -2.05 0.00 0.00 46.19 45.89 2k3a s LEU 4 CO -0.09 -1.13 0.16 0.68 -0.55 0.00 0.00 176.35 175.43 2k3a s VAL 5 N -3.97 5.46 -0.42 1.48 -7.23 -1.26 -5.01 120.40 109.46 2k3a s VAL 5 Ca 0.18 -0.01 0.05 0.00 -1.81 0.00 0.00 61.98 60.39 2k3a s VAL 5 Cb -0.01 -3.48 0.39 0.00 0.56 0.00 0.00 36.38 33.84 2k3a s VAL 5 CO 0.05 0.45 1.32 0.35 -0.31 0.00 0.00 175.10 176.96 2k3a n THR 6 N 1.37 1.80 -1.66 5.32 -2.24 -1.26 -4.97 114.28 112.64 2k3a n THR 6 Ca -0.15 -0.86 -0.49 0.00 -2.27 0.00 0.00 64.05 60.28 2k3a n THR 6 Cb 0.54 -0.56 -0.05 0.00 -2.10 0.00 0.00 70.33 68.16 2k3a n THR 6 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2k3a n ALA 7 N -0.02 0.68 -2.82 6.98 0.00 -1.26 -4.98 120.51 119.10 2k3a n ALA 7 Ca 0.23 0.41 -0.09 0.00 0.00 0.00 0.00 53.44 53.98 2k3a n ALA 7 Cb 0.93 -2.33 -0.06 0.00 0.00 0.00 0.00 19.45 17.99 2k3a n ALA 7 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 2k3a s THR 8 N 1.95 0.07 0.05 0.00 -1.32 -1.26 -5.19 115.64 109.94 2k3a s THR 8 Ca 0.85 -1.20 -0.11 0.00 -1.21 0.00 0.00 61.69 60.03 2k3a s THR 8 Cb -0.77 -1.68 0.01 0.00 -1.51 0.00 0.00 72.50 68.55 2k3a s THR 8 CO 0.46 -0.32 0.23 0.28 -2.21 0.00 0.00 174.62 173.05 2k3a s THR 9 N -3.92 0.11 -0.26 5.08 -1.32 -1.26 -5.14 115.64 108.92 2k3a s THR 9 Ca 0.13 -0.88 0.03 0.00 -1.21 0.00 0.00 61.69 59.75 2k3a s THR 9 Cb 0.03 -1.00 0.06 0.00 -1.51 0.00 0.00 72.50 70.08 2k3a s THR 9 CO -0.03 -0.49 -0.10 -0.76 -2.21 0.00 0.00 174.62 171.03 2k3a s LEU 10 N -2.24 3.32 0.00 9.08 1.02 -1.26 -5.12 118.68 123.48 2k3a s LEU 10 Ca -0.03 -1.37 0.05 0.00 0.02 0.00 0.00 54.13 52.80 2k3a s LEU 10 Cb 0.00 -1.49 0.08 0.00 0.02 0.00 0.00 46.19 44.80 2k3a s LEU 10 CO -0.05 -0.20 0.61 1.07 0.02 0.00 0.00 176.35 177.80 2k3a n THR 11 N 4.47 0.00 0.00 5.49 5.66 -1.26 -4.69 114.28 123.95 2k3a n THR 11 Ca -0.14 -1.32 0.00 0.00 -3.05 0.00 0.00 64.05 59.55 2k3a n THR 11 Cb 0.42 -0.75 0.00 0.00 -1.55 0.00 0.00 70.33 68.45 2k3a n THR 11 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2k3a n ALA 12 N -2.63 0.00 0.65 1.79 0.00 -1.26 -4.67 120.51 114.39 2k3a n ALA 12 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.34 2k3a n ALA 12 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.88 2k3a n ALA 12 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k3a n GLY 13 N 0.00 2.00 3.45 0.00 0.00 -1.26 -4.77 105.19 104.61 2k3a n GLY 13 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 2k3a n GLY 13 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2k3a s ILE 14 N 0.06 5.21 0.00 -0.61 1.09 -1.26 -4.99 121.20 120.70 2k3a s ILE 14 Ca 0.00 -0.69 0.00 0.00 -1.10 0.00 0.00 60.65 58.86 2k3a s ILE 14 Cb 0.00 -4.01 0.00 0.00 -1.06 0.00 0.00 42.46 37.39 2k3a s ILE 14 CO 0.00 -0.41 0.00 0.61 -0.10 0.00 0.00 174.94 175.04 2k3a n GLY 15 N 5.16 1.81 3.35 6.18 0.00 -1.26 -5.18 105.19 115.25 2k3a n GLY 15 Ca -0.10 0.39 -0.29 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 2.21 -0.01 4.61 0.00 -1.26 -5.12 121.76 122.19 2k3a s ALA 16 Ca 0.00 -1.31 -0.26 0.00 0.00 0.00 0.00 51.96 50.38 2k3a s ALA 16 Cb 0.00 -0.42 -0.04 0.00 0.00 0.00 0.00 23.12 22.66 2k3a s ALA 16 CO 0.00 0.51 0.83 0.00 0.00 0.00 0.00 175.76 177.10 2k3a s ALA 17 N -0.91 3.27 -0.10 0.00 0.00 -1.26 -5.05 121.76 117.71 2k3a s ALA 17 Ca 0.12 0.34 -0.17 0.00 0.00 0.00 0.00 51.96 52.24 2k3a s ALA 17 Cb -0.10 -3.12 -0.04 0.00 0.00 0.00 0.00 23.12 19.86 2k3a s ALA 17 CO 0.03 -0.11 0.46 0.42 0.00 0.00 0.00 175.76 176.56 2k3a s ILE 18 N 0.64 5.17 0.54 0.00 1.01 -1.26 -5.09 121.20 122.21 2k3a s ILE 18 Ca 0.43 0.91 0.07 0.00 0.00 0.00 0.00 60.65 62.07 2k3a s ILE 18 Cb -0.20 -3.79 0.05 0.00 0.01 0.00 0.00 42.46 38.53 2k3a s ILE 18 CO 0.23 0.36 0.54 0.68 0.00 0.00 0.00 174.94 176.76 2k3a s VAL 19 N 0.39 1.96 0.00 2.92 -7.23 -1.26 -5.08 120.40 112.10 2k3a s VAL 19 Ca 0.25 -1.29 0.00 0.00 -1.81 0.00 0.00 61.98 59.13 2k3a s VAL 19 Cb -0.15 -2.25 0.00 0.00 0.56 0.00 0.00 36.38 34.54 2k3a s VAL 19 CO 0.10 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.50 2k3a n GLY 20 N -1.91 1.91 3.64 2.32 0.00 -1.26 -5.17 105.19 104.72 2k3a n GLY 20 Ca 0.05 -0.81 -0.06 0.00 0.00 0.00 0.00 46.02 45.20 2k3a n GLY 20 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2k3a s LEU 21 N 0.00 -0.70 -0.12 0.99 2.34 -1.26 -5.17 118.68 114.76 2k3a s LEU 21 Ca 0.00 1.16 -0.07 0.00 0.06 0.00 0.00 54.13 55.28 2k3a s LEU 21 Cb 0.00 2.08 0.04 0.00 -0.56 0.00 0.00 46.19 47.76 2k3a s LEU 21 CO 0.00 -0.19 0.28 -0.62 -1.06 0.00 0.00 176.35 174.76 2k3a s ASP 22 N 1.23 -0.31 0.02 1.48 2.15 -1.26 -5.17 116.67 114.81 2k3a s ASP 22 Ca -0.07 0.59 -0.06 0.00 0.43 0.00 0.00 52.55 53.44 2k3a s ASP 22 Cb -0.04 0.50 -0.00 0.00 -0.30 0.00 0.00 42.92 43.07 2k3a s ASP 22 CO -0.14 -0.16 0.12 -1.00 -0.17 0.00 0.00 175.17 173.82 2k3a s HIS 23 N 1.06 0.11 -0.15 -5.34 3.76 -1.26 -5.05 115.29 108.42 2k3a s HIS 23 Ca -0.07 -0.28 -0.04 0.00 -0.15 0.00 0.00 55.06 54.52 2k3a s HIS 23 Cb -0.08 -0.08 0.00 0.00 1.11 0.00 0.00 32.58 33.53 2k3a s HIS 23 CO -0.07 -0.31 0.14 0.41 -0.85 0.00 0.00 174.74 174.05 2k3a n GLY 24 N 1.21 -1.92 3.12 -2.22 0.00 -1.26 -5.08 105.19 99.04 2k3a n GLY 24 Ca -0.22 0.26 -0.26 0.00 0.00 0.00 0.00 46.02 45.80 2k3a n GLY 24 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2k3a s ASN 25 N -1.22 2.15 0.95 1.61 0.01 -1.26 -5.15 114.94 112.03 2k3a s ASN 25 Ca 0.06 -0.36 -0.07 0.00 -0.71 0.00 0.00 52.86 51.79 2k3a s ASN 25 Cb -0.02 -0.70 0.09 0.00 0.41 0.00 0.00 41.25 41.04 2k3a s ASN 25 CO 0.30 0.13 0.57 -0.62 -1.51 0.00 0.00 177.10 175.96 2k3a n GLU 26 N 3.29 -0.48 -3.15 -0.60 -0.58 -1.26 -5.11 120.64 112.75 2k3a n GLU 26 Ca -0.19 -0.92 0.04 0.00 -0.42 0.00 0.00 57.16 55.67 2k3a n GLU 26 Cb 0.53 -0.57 -0.01 0.00 -0.57 0.00 0.00 31.44 30.83 2k3a n GLU 26 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2k3a s ALA 27 N -3.88 -2.40 -0.59 0.62 0.00 -1.26 -5.12 121.76 109.13 2k3a s ALA 27 Ca 0.32 1.46 -0.28 0.00 0.00 0.00 0.00 51.96 53.47 2k3a s ALA 27 Cb -0.01 -2.36 0.02 0.00 0.00 0.00 0.00 23.12 20.76 2k3a s ALA 27 CO 0.23 -1.58 1.38 -0.51 0.00 0.00 0.00 175.76 175.28 2k3a s ASP 28 N 2.85 6.14 -0.76 0.00 1.11 -1.26 -4.97 116.67 119.78 2k3a s ASP 28 Ca 0.15 0.16 -0.21 0.00 0.18 0.00 0.00 52.55 52.84 2k3a s ASP 28 Cb -0.12 -2.55 0.10 0.00 1.07 0.00 0.00 42.92 41.42 2k3a s ASP 28 CO -0.23 -1.73 1.00 0.00 1.18 0.00 0.00 175.17 175.39 2k3a s ALA 29 N 6.00 3.26 -0.30 5.23 0.00 -1.26 -4.93 121.76 129.76 2k3a s ALA 29 Ca 0.49 -2.27 -0.17 0.00 0.00 0.00 0.00 51.96 50.01 2k3a s ALA 29 Cb -0.10 -3.89 0.18 0.00 0.00 0.00 0.00 23.12 19.31 2k3a s ALA 29 CO 0.23 -2.80 1.16 0.00 0.00 0.00 0.00 175.76 174.35 2k3a s ALA 30 N 3.32 -3.13 0.00 0.00 0.00 -1.26 -5.13 121.76 115.56 2k3a s ALA 30 Ca 0.25 1.82 0.00 0.00 0.00 0.00 0.00 51.96 54.02 2k3a s ALA 30 Cb -0.13 -2.25 0.00 0.00 0.00 0.00 0.00 23.12 20.74 2k3a s ALA 30 CO 0.02 -1.05 0.05 0.39 0.00 0.00 0.00 175.76 175.17 2k3a n GLU 31 N 4.85 0.00 -4.30 0.00 1.02 -1.26 -5.01 120.64 115.93 2k3a n GLU 31 Ca -0.08 0.00 -0.21 0.00 -0.02 0.00 0.00 57.16 56.85 2k3a n GLU 31 Cb 0.54 -0.31 -0.11 0.00 -0.02 0.00 0.00 31.44 31.54 2k3a n GLU 31 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 2k3a s GLN 32 N -0.10 1.18 -0.35 3.49 -1.52 -1.26 -5.12 119.66 115.97 2k3a s GLN 32 Ca 0.00 -1.31 0.03 0.00 -1.95 0.00 0.00 55.36 52.13 2k3a s GLN 32 Cb 0.00 -1.23 0.15 0.00 -0.22 0.00 0.00 33.01 31.71 2k3a s GLN 32 CO 0.00 0.26 0.37 0.99 -0.25 0.00 0.00 175.29 176.65 2k3a s THR 33 N -1.87 -0.36 -0.48 -0.19 2.01 -1.26 -5.05 115.64 108.43 2k3a s THR 33 Ca 0.12 -0.86 0.06 0.00 0.31 0.00 0.00 61.69 61.32 2k3a s THR 33 Cb -0.07 -0.73 0.21 0.00 0.01 0.00 0.00 72.50 71.92 2k3a s THR 33 CO 0.05 -0.54 0.71 0.00 -0.69 0.00 0.00 174.62 174.15 2k3a n GLN 34 N 4.47 0.59 -0.65 4.92 10.64 -1.26 -5.02 117.38 131.08 2k3a n GLN 34 Ca 0.08 -2.22 -0.04 0.00 -1.83 0.00 0.00 57.00 53.00 2k3a n GLN 34 Cb 0.46 -1.47 -0.05 0.00 -0.86 0.00 0.00 30.24 28.32 2k3a n GLN 34 CO 0.00 0.00 0.00 -2.30 -1.83 0.00 0.00 177.06 172.93 2k3a n PRO 35 N 2.30 1.30 -3.84 2.61 -0.02 -1.26 -4.76 135.00 131.33 2k3a n PRO 35 Ca 0.17 -0.30 -0.33 0.00 -2.02 0.00 0.00 63.50 61.02 2k3a n PRO 35 Cb 0.57 -1.30 -0.12 0.00 -0.02 0.00 0.00 33.50 32.63 2k3a n PRO 35 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2k3a s THR 36 N 0.29 3.12 -0.04 3.45 2.01 -1.26 -5.08 115.64 118.12 2k3a s THR 36 Ca 0.20 -3.06 -0.23 0.00 0.31 0.00 0.00 61.69 58.91 2k3a s THR 36 Cb 0.10 -3.10 -0.04 0.00 0.01 0.00 0.00 72.50 69.46 2k3a s THR 36 CO -0.00 -0.82 0.67 0.20 -0.69 0.00 0.00 174.62 173.98 2k3a s ASN 37 N 0.29 6.99 -0.62 3.53 -0.87 -1.26 -5.03 114.94 117.97 2k3a s ASN 37 Ca 0.16 1.18 -0.21 0.00 -1.57 0.00 0.00 52.86 52.43 2k3a s ASN 37 Cb -0.23 -2.40 0.08 0.00 -0.02 0.00 0.00 41.25 38.68 2k3a s ASN 37 CO -0.02 -0.05 0.85 -1.10 -2.57 0.00 0.00 177.10 174.21 2k3a s GLN 38 N 0.49 3.10 -0.88 -0.60 -1.52 -1.26 -5.00 119.66 113.99 2k3a s GLN 38 Ca 0.35 -0.98 -0.23 0.00 -1.95 0.00 0.00 55.36 52.56 2k3a s GLN 38 Cb -0.18 -4.22 0.07 0.00 -0.22 0.00 0.00 33.01 28.46 2k3a s GLN 38 CO 0.18 -1.66 1.25 -1.54 -0.25 0.00 0.00 175.29 173.27 2k3a s SER 39 N 3.54 6.40 -0.09 5.90 1.04 -1.26 -4.94 113.70 124.29 2k3a s SER 39 Ca 0.18 -1.30 -0.30 0.00 0.48 0.00 0.00 55.95 55.01 2k3a s SER 39 Cb -0.19 -2.50 0.10 0.00 0.10 0.00 0.00 66.02 63.53 2k3a s SER 39 CO 0.09 -1.46 0.86 0.28 0.98 0.00 0.00 173.24 173.99 2k3a s THR 40 N 4.43 0.00 -0.61 2.02 -1.32 -1.26 -5.12 115.64 113.78 2k3a s THR 40 Ca 0.36 0.00 -0.24 0.00 -1.21 0.00 0.00 61.69 60.60 2k3a s THR 40 Cb -0.06 -1.00 0.05 0.00 -1.51 0.00 0.00 72.50 69.98 2k3a s THR 40 CO -0.01 0.00 1.01 0.42 -2.21 0.00 0.00 174.62 173.83 2k3a s THR 41 N -1.54 4.25 -0.41 5.08 -4.23 -1.26 -5.00 115.64 112.53 2k3a s THR 41 Ca -0.04 0.13 -0.28 0.00 -1.18 0.00 0.00 61.69 60.33 2k3a s THR 41 Cb -0.00 -4.65 -0.02 0.00 1.34 0.00 0.00 72.50 69.17 2k3a s THR 41 CO 0.02 -1.34 1.77 0.00 -0.54 0.00 0.00 174.62 174.53 2k3a s GLN 42 N 4.30 3.17 -0.45 3.99 -2.07 -1.26 -4.94 119.66 122.40 2k3a s GLN 42 Ca 0.29 1.16 0.03 0.00 -1.82 0.00 0.00 55.36 55.02 2k3a s GLN 42 Cb -0.13 -4.23 0.12 0.00 -1.09 0.00 0.00 33.01 27.68 2k3a s GLN 42 CO 0.16 -2.06 0.20 -1.12 -1.32 0.00 0.00 175.29 171.15 2k3a s SER 43 N 6.39 4.28 -0.09 12.60 0.01 -1.26 -5.10 113.70 130.53 2k3a s SER 43 Ca 0.74 -2.66 0.01 0.00 1.31 0.00 0.00 55.95 55.36 2k3a s SER 43 Cb -0.19 -1.47 -0.02 0.00 0.21 0.00 0.00 66.02 64.55 2k3a s SER 43 CO 0.30 -0.28 -0.12 0.42 0.41 0.00 0.00 173.24 173.97 2k3a s THR 44 N 0.23 3.22 0.48 1.44 -4.23 -1.26 -4.93 115.64 110.58 2k3a s THR 44 Ca 0.15 -0.64 -0.21 0.00 -1.18 0.00 0.00 61.69 59.81 2k3a s THR 44 Cb -0.24 -2.31 -0.08 0.00 1.34 0.00 0.00 72.50 71.21 2k3a s THR 44 CO -0.03 0.56 1.09 -0.44 -0.54 0.00 0.00 174.62 175.25 2k3a s SER 45 N -0.28 6.24 -0.09 3.99 0.01 -1.26 -5.06 113.70 117.24 2k3a s SER 45 Ca 0.03 2.08 -0.03 0.00 1.31 0.00 0.00 55.95 59.33 2k3a s SER 45 Cb -0.13 -2.58 0.05 0.00 0.21 0.00 0.00 66.02 63.57 2k3a s SER 45 CO 0.03 -0.86 0.12 -0.83 0.41 0.00 0.00 173.24 172.11 2k3a s GLY 46 N -1.74 0.14 -0.26 3.44 0.00 -1.26 -4.19 107.32 103.44 2k3a s GLY 46 Ca 0.66 0.29 -0.01 0.00 0.00 0.00 0.00 44.72 45.66 2k3a s GLY 46 CO 0.26 1.64 0.42 -0.56 0.00 0.00 0.00 173.10 174.86 2k3a s SER 47 N 2.24 -0.03 0.52 1.64 0.01 0.02 -5.02 113.70 113.07 2k3a s SER 47 Ca 0.04 0.19 0.30 0.00 1.31 0.00 0.00 55.95 57.79 2k3a s SER 47 Cb -0.13 1.30 1.26 0.00 0.21 0.00 0.00 66.02 68.66 2k3a s SER 47 CO -0.06 -0.31 1.95 0.28 0.41 0.00 0.00 173.24 175.52 2k3a h SER 48 N 8.15 0.00 -2.89 2.44 0.02 -1.86 -3.41 113.55 115.99 2k3a h SER 48 Ca -0.17 0.00 -0.54 0.00 -0.84 0.00 0.00 61.79 60.24 2k3a h SER 48 Cb 1.15 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.69 2k3a h SER 48 CO 0.27 0.09 0.84 0.00 -1.14 0.00 0.00 176.83 176.88 2k3a s ALA 49 N -3.73 3.59 -0.51 3.77 0.00 -1.26 -4.91 121.76 118.72 2k3a s ALA 49 Ca 0.00 0.96 -0.21 0.00 0.00 0.00 0.00 51.96 52.72 2k3a s ALA 49 Cb 0.10 -3.60 0.05 0.00 0.00 0.00 0.00 23.12 19.67 2k3a s ALA 49 CO 0.57 -0.90 0.71 1.21 0.00 0.00 0.00 175.76 177.36 2k3a s ASN 50 N 1.85 6.26 -0.16 0.00 3.84 -1.26 -4.92 114.94 120.54 2k3a s ASN 50 Ca 0.65 -0.71 0.03 0.00 0.21 0.00 0.00 52.86 53.04 2k3a s ASN 50 Cb -0.33 -2.33 0.31 0.00 -0.55 0.00 0.00 41.25 38.35 2k3a s ASN 50 CO 0.28 -0.97 1.28 0.18 -2.79 0.00 0.00 177.10 175.08 2k3a n LEU 51 N 6.52 4.11 0.00 3.21 7.99 -1.26 -4.86 117.00 132.71 2k3a n LEU 51 Ca -0.04 -2.13 0.00 0.00 -0.01 0.00 0.00 56.01 53.83 2k3a n LEU 51 Cb 0.46 -0.63 0.00 0.00 -0.11 0.00 0.00 43.42 43.15 2k3a n LEU 51 CO 0.57 0.63 0.00 -1.22 -1.51 0.00 0.00 177.39 175.86 2k3a n TYR 52 N -0.05 -0.04 -4.06 -1.77 4.01 -1.26 -4.99 117.16 109.00 2k3a n TYR 52 Ca 0.21 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.82 2k3a n TYR 52 Cb 0.90 0.00 -0.12 0.00 -0.31 0.00 0.00 39.34 39.81 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 -0.77 0.45 0.42 -0.72 -1.32 -1.26 -5.00 115.64 107.44 2k3a s THR 53 Ca 0.00 -0.90 -0.26 0.00 -1.21 0.00 0.00 61.69 59.32 2k3a s THR 53 Cb 0.00 -0.51 -0.09 0.00 -1.51 0.00 0.00 72.50 70.39 2k3a s THR 53 CO 0.00 -0.31 1.38 0.00 -2.21 0.00 0.00 174.62 173.47 2k3a s ALA 54 N -1.17 3.29 0.00 11.08 0.00 -1.26 -2.77 121.76 130.94 2k3a s ALA 54 Ca -0.09 1.37 0.00 0.00 0.00 0.00 0.00 51.96 53.24 2k3a s ALA 54 Cb -0.09 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.49 2k3a s ALA 54 CO 0.00 -1.00 0.00 0.41 0.00 0.00 0.00 175.76 175.17 2k3a n GLY 55 N 0.61 3.06 3.85 0.00 0.00 -1.26 -5.06 105.19 106.39 2k3a n GLY 55 Ca 0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.52 3.76 0.54 1.61 -1.52 -1.11 -4.94 119.66 117.47 2k3a s GLN 56 Ca 0.00 0.21 0.26 0.00 -1.95 0.00 0.00 55.36 53.88 2k3a s GLN 56 Cb 0.00 -3.22 1.43 0.00 -0.22 0.00 0.00 33.01 31.00 2k3a s GLN 56 CO 0.00 0.71 2.00 0.00 -0.25 0.00 0.00 175.29 177.75 2k3a h THR 58 N 0.00 1.15 0.66 0.00 1.35 -1.90 -3.25 112.91 110.92 2k3a h THR 58 Ca 0.22 -0.29 -0.03 0.00 -0.55 0.00 0.00 66.41 65.77 2k3a h THR 58 Cb 0.94 0.32 0.01 0.00 -1.73 0.00 0.00 68.15 67.69 2k3a h THR 58 CO -0.00 0.15 -0.32 -0.25 -0.25 0.00 0.00 175.52 174.85 2k3a h TRP 59 N 0.77 -0.82 0.00 4.73 7.01 -1.45 -2.97 115.95 123.22 2k3a h TRP 59 Ca 0.21 -0.02 -0.07 0.00 2.11 0.00 0.00 58.89 61.11 2k3a h TRP 59 Cb -0.08 0.27 -0.01 0.00 -2.10 0.00 0.00 29.16 27.25 2k3a h TRP 59 CO 0.00 -0.51 -0.36 0.10 -2.79 0.00 0.00 178.44 174.88 2k3a h TYR 60 N -0.95 0.00 -0.44 2.65 -0.00 -1.72 -2.47 116.97 114.03 2k3a h TYR 60 Ca -0.09 0.00 -0.06 0.00 0.00 0.00 0.00 58.73 58.58 2k3a h TYR 60 Cb 0.68 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 37.39 2k3a h TYR 60 CO 0.06 0.36 0.01 0.28 -0.00 0.00 0.00 178.16 178.87 2k3a h VAL 61 N 0.00 1.23 -0.53 -0.90 2.07 -1.61 -2.47 116.25 114.04 2k3a h VAL 61 Ca -0.00 -0.92 0.02 0.00 0.82 0.00 0.00 66.70 66.62 2k3a h VAL 61 Cb 0.67 0.88 -0.03 0.00 -1.52 0.00 0.00 31.29 31.29 2k3a h VAL 61 CO 0.05 0.32 0.35 0.22 0.02 0.00 0.00 177.57 178.53 2k3a h TYR 62 N 0.67 0.62 0.03 1.57 3.20 -1.27 -0.68 116.97 121.11 2k3a h TYR 62 Ca 0.14 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.02 2k3a h TYR 62 Cb 0.40 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 38.46 2k3a h TYR 62 CO 0.02 0.38 -0.01 0.22 -1.64 0.00 0.00 178.16 177.12 2k3a h ASP 63 N 0.66 -0.03 -0.84 -2.11 1.82 -1.52 -1.50 116.42 112.89 2k3a h ASP 63 Ca 0.20 -0.50 0.12 0.00 -0.39 0.00 0.00 57.03 56.45 2k3a h ASP 63 Cb 0.01 0.01 -0.06 0.00 0.68 0.00 0.00 39.33 39.97 2k3a h ASP 63 CO -0.05 0.50 0.54 0.11 -1.61 0.00 0.00 179.24 178.73 2k3a h LYS 64 N -0.57 0.69 -0.00 0.28 1.79 -0.97 0.50 116.57 118.29 2k3a h LYS 64 Ca -0.00 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.42 2k3a h LYS 64 Cb 0.53 -0.16 0.00 0.00 -1.58 0.00 0.00 32.23 31.03 2k3a h LYS 64 CO 0.01 0.46 -0.06 1.55 -1.08 0.00 0.00 179.45 180.32 2k3a n VAL 65 N -4.53 0.00 -1.64 0.50 3.14 -0.31 -4.92 118.33 110.57 2k3a n VAL 65 Ca 0.15 -0.03 -0.08 0.00 -2.96 0.00 0.00 64.34 61.42 2k3a n VAL 65 Cb 0.39 -0.30 -0.02 0.00 -1.06 0.00 0.00 33.84 32.85 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 1.28 0.57 2.35 7.55 0.00 0.16 -3.01 105.19 114.09 2k3a n GLY 66 Ca 0.14 -0.63 -0.14 0.00 0.00 0.00 0.00 46.02 45.40 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 -1.58 0.91 1.15 -0.02 0.00 -0.58 -4.77 105.19 100.30 2k3a n GLY 67 Ca -0.08 -0.37 0.03 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.31 3.20 -4.31 1.61 3.02 -1.16 -0.80 115.26 116.50 2k3a n ASN 68 Ca -0.14 -2.43 -0.28 0.00 -0.03 0.00 0.00 54.58 51.69 2k3a n ASN 68 Cb 0.50 -0.58 -0.08 0.00 -0.61 0.00 0.00 39.78 39.01 2k3a n ASN 68 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 2k3a s ILE 69 N -1.82 0.76 -0.08 2.41 -4.36 -1.26 -4.47 121.20 112.38 2k3a s ILE 69 Ca 0.25 -2.00 -0.30 0.00 -0.26 0.00 0.00 60.65 58.35 2k3a s ILE 69 Cb 0.19 -2.27 -0.02 0.00 1.25 0.00 0.00 42.46 41.61 2k3a s ILE 69 CO 0.07 0.00 1.08 -0.83 0.24 0.00 0.00 174.94 175.50 2k3a s GLY 70 N -3.70 2.29 0.14 6.27 0.00 -1.26 -4.62 107.32 106.44 2k3a s GLY 70 Ca 0.17 0.48 0.27 0.00 0.00 0.00 0.00 44.72 45.64 2k3a s GLY 70 CO 0.11 2.01 1.79 -1.14 0.00 0.00 0.00 173.10 175.88 2k3a n SER 71 N 5.00 0.58 -1.21 1.64 3.41 -1.26 -3.49 113.62 118.29 2k3a n SER 71 Ca 0.09 0.52 0.07 0.00 -0.26 0.00 0.00 58.87 59.30 2k3a n SER 71 Cb 0.48 -0.65 0.26 0.00 -0.26 0.00 0.00 64.21 64.04 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 -2.03 1.24 0.09 6.66 5.66 -1.26 -4.29 114.28 120.35 2k3a n THR 72 Ca 0.06 -0.84 -0.08 0.00 -3.05 0.00 0.00 64.05 60.13 2k3a n THR 72 Cb 0.40 0.09 -0.01 0.00 -1.55 0.00 0.00 70.33 69.26 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 3.08 0.25 0.00 1.09 6.55 -1.97 -3.48 115.95 121.47 2k3a h TRP 73 Ca 0.00 -0.14 0.00 0.00 0.95 0.00 0.00 58.89 59.70 2k3a h TRP 73 Cb 1.07 -0.03 0.00 0.00 -0.86 0.00 0.00 29.16 29.34 2k3a h TRP 73 CO 0.54 0.97 0.00 0.41 -1.05 0.00 0.00 178.44 179.30 2k3a n GLY 74 N 0.91 2.85 3.74 1.49 0.00 -1.26 -4.68 105.19 108.24 2k3a n GLY 74 Ca -0.03 -0.20 -0.42 0.00 0.00 0.00 0.00 46.02 45.36 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 9.24 3.48 -0.28 1.61 4.13 -1.26 -4.91 115.26 127.28 2k3a n ASN 75 Ca 0.00 1.19 0.02 0.00 1.68 0.00 0.00 54.58 57.47 2k3a n ASN 75 Cb 0.00 -1.56 0.16 0.00 -1.54 0.00 0.00 39.78 36.84 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 3.63 1.13 0.00 5.41 0.00 -1.85 0.11 119.26 127.69 2k3a h ALA 76 Ca -0.48 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2k3a h ALA 76 Cb 1.25 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.91 2k3a h ALA 76 CO 0.70 0.09 0.00 0.27 0.00 0.00 0.00 179.25 180.31 2k3a n ASN 77 N -4.75 0.00 -0.00 0.00 0.23 -1.26 -1.75 115.26 107.73 2k3a n ASN 77 Ca 0.13 -0.15 0.10 0.00 -0.53 0.00 0.00 54.58 54.12 2k3a n ASN 77 Cb 0.26 -0.15 -0.12 0.00 -2.08 0.00 0.00 39.78 37.70 2k3a n ASN 77 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 2k3a n ASN 78 N -1.15 0.94 -0.14 0.53 5.15 0.02 -4.62 115.26 115.99 2k3a n ASN 78 Ca 0.08 -0.95 0.00 0.00 -0.60 0.00 0.00 54.58 53.11 2k3a n ASN 78 Cb 0.08 1.02 0.27 0.00 -0.53 0.00 0.00 39.78 40.62 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 0.00 0.82 0.01 1.20 4.06 -1.33 0.10 115.95 120.82 2k3a h TRP 79 Ca 0.00 -0.01 -0.00 0.00 2.06 0.00 0.00 58.89 60.94 2k3a h TRP 79 Cb 0.49 -0.27 0.00 0.00 -1.00 0.00 0.00 29.16 28.38 2k3a h TRP 79 CO 0.00 0.58 -0.00 0.00 -3.56 0.00 0.00 178.44 175.45 2k3a h ALA 80 N 1.52 -0.01 -0.33 1.49 0.00 -1.82 -0.41 119.26 119.71 2k3a h ALA 80 Ca 0.22 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 2k3a h ALA 80 Cb 0.02 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 2k3a h ALA 80 CO -0.04 -0.30 0.19 1.03 0.00 0.00 0.00 179.25 180.13 2k3a h SER 81 N -0.42 0.40 0.26 0.00 0.87 -1.79 -1.56 113.55 111.31 2k3a h SER 81 Ca -0.00 -0.07 -0.01 0.00 -1.23 0.00 0.00 61.79 60.48 2k3a h SER 81 Cb 0.41 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.27 2k3a h SER 81 CO 0.00 0.36 -0.12 0.00 -0.53 0.00 0.00 176.83 176.53 2k3a h ALA 82 N 1.06 -0.34 -0.50 6.23 0.00 -0.83 -0.47 119.26 124.41 2k3a h ALA 82 Ca 0.12 -0.08 0.09 0.00 0.00 0.00 0.00 54.91 55.03 2k3a h ALA 82 Cb 0.03 0.13 -0.07 0.00 0.00 0.00 0.00 17.79 17.89 2k3a h ALA 82 CO -0.02 -0.69 0.10 0.00 0.00 0.00 0.00 179.25 178.64 2k3a h ALA 83 N 0.39 0.57 0.08 0.00 0.00 -1.01 0.63 119.26 119.92 2k3a h ALA 83 Ca -0.04 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 2k3a h ALA 83 Cb 0.27 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 2k3a h ALA 83 CO 0.06 -0.31 -0.05 1.03 0.00 0.00 0.00 179.25 179.98 2k3a h SER 84 N 0.24 -0.13 0.92 0.00 0.87 -1.14 0.40 113.55 114.71 2k3a h SER 84 Ca 0.25 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.82 2k3a h SER 84 Cb 0.34 0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.34 2k3a h SER 84 CO -0.33 -0.09 0.00 -1.28 -0.53 0.00 0.00 176.83 174.60 2k3a h SER 85 N -0.13 0.00 0.54 6.23 0.87 -0.61 -3.06 113.55 117.38 2k3a h SER 85 Ca -0.00 0.00 -0.29 0.00 -1.23 0.00 0.00 61.79 60.27 2k3a h SER 85 Cb 0.12 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.09 2k3a h SER 85 CO 0.00 0.00 -1.32 0.00 -0.53 0.00 0.00 176.83 174.98 2k3a h ALA 86 N 2.01 0.06 0.00 6.23 0.00 0.81 -3.48 119.26 124.88 2k3a h ALA 86 Ca 0.00 -0.90 0.00 0.00 0.00 0.00 0.00 54.91 54.01 2k3a h ALA 86 Cb 0.46 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2k3a h ALA 86 CO 0.00 0.93 0.00 0.41 0.00 0.00 0.00 179.25 180.59 2k3a n GLY 87 N 1.58 0.66 0.53 0.00 0.00 -0.52 -5.07 105.19 102.37 2k3a n GLY 87 Ca -0.11 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.87 2k3a n GLY 87 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2k3a n TYR 88 N 0.00 -4.00 -3.91 1.61 4.02 0.02 -5.03 117.16 109.87 2k3a n TYR 88 Ca 0.00 -0.16 -0.30 0.00 -0.01 0.00 0.00 57.90 57.43 2k3a n TYR 88 Cb 0.00 -0.14 -0.14 0.00 -0.02 0.00 0.00 39.34 39.04 2k3a n TYR 88 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 2k3a s THR 89 N -1.39 2.31 -0.53 -0.72 2.01 -0.82 -4.67 115.64 111.83 2k3a s THR 89 Ca 0.10 -3.05 -0.21 0.00 0.31 0.00 0.00 61.69 58.84 2k3a s THR 89 Cb -0.00 -2.62 0.05 0.00 0.01 0.00 0.00 72.50 69.94 2k3a s THR 89 CO 0.07 -0.79 0.75 -0.69 -0.69 0.00 0.00 174.62 173.27 2k3a s VAL 90 N -0.02 4.68 0.22 3.82 1.01 -1.26 -0.11 120.40 128.74 2k3a s VAL 90 Ca 0.16 -0.24 0.07 0.00 0.00 0.00 0.00 61.98 61.97 2k3a s VAL 90 Cb -0.25 -4.40 -0.05 0.00 0.00 0.00 0.00 36.38 31.68 2k3a s VAL 90 CO -0.01 -0.95 -0.11 0.20 0.00 0.00 0.00 175.10 174.22 2k3a s ASN 91 N 2.81 2.48 0.00 3.32 0.01 -0.59 -4.91 114.94 118.06 2k3a s ASN 91 Ca 0.20 -1.07 0.12 0.00 -0.71 0.00 0.00 52.86 51.41 2k3a s ASN 91 Cb -0.17 -0.12 0.53 0.00 0.41 0.00 0.00 41.25 41.90 2k3a s ASN 91 CO 0.14 -0.24 1.37 0.59 -1.51 0.00 0.00 177.10 177.45 2k3a n ASN 92 N -0.40 0.82 -4.61 -1.22 4.13 -1.26 -0.65 115.26 112.06 2k3a n ASN 92 Ca -0.07 -1.78 -0.43 0.00 1.68 0.00 0.00 54.58 53.97 2k3a n ASN 92 Cb 0.61 -0.08 -0.02 0.00 -1.54 0.00 0.00 39.78 38.75 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 -1.28 6.36 0.00 6.41 0.01 -1.26 -4.72 113.70 119.22 2k3a s SER 93 Ca 0.20 1.20 0.00 0.00 1.31 0.00 0.00 55.95 58.66 2k3a s SER 93 Cb 0.10 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.80 2k3a s SER 93 CO 0.15 -1.34 0.53 -0.81 0.41 0.00 0.00 173.24 172.18 2k3a n PRO 94 N 7.84 0.83 -1.75 12.44 -0.04 -1.26 -4.77 135.00 148.29 2k3a n PRO 94 Ca 0.18 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 63.25 2k3a n PRO 94 Cb 0.47 -1.33 0.05 0.00 -0.04 0.00 0.00 33.50 32.65 2k3a n PRO 94 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 2k3a s GLU 95 N -0.68 2.98 0.90 0.54 2.12 -1.26 -4.83 118.70 118.47 2k3a s GLU 95 Ca 0.00 2.22 -0.12 0.00 0.36 0.00 0.00 54.97 57.43 2k3a s GLU 95 Cb 0.00 -2.16 0.13 0.00 0.26 0.00 0.00 34.13 32.36 2k3a s GLU 95 CO 0.00 -1.31 1.10 0.00 -0.54 0.00 0.00 175.26 174.51 2k3a s ALA 96 N -1.31 1.57 -0.08 6.30 0.00 -1.26 -4.27 121.76 122.71 2k3a s ALA 96 Ca 0.74 -0.21 -0.00 0.00 0.00 0.00 0.00 51.96 52.49 2k3a s ALA 96 Cb -0.40 -3.14 0.00 0.00 0.00 0.00 0.00 23.12 19.58 2k3a s ALA 96 CO 0.47 -2.34 0.01 0.41 0.00 0.00 0.00 175.76 174.30 2k3a n GLY 97 N -1.42 0.39 3.43 0.00 0.00 -1.19 -5.06 105.19 101.33 2k3a n GLY 97 Ca 0.07 -0.83 -0.11 0.00 0.00 0.00 0.00 46.02 45.15 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 -2.96 0.09 -0.13 1.61 0.01 -1.26 -4.59 113.70 106.46 2k3a s SER 98 Ca 0.00 -1.16 -0.03 0.00 1.31 0.00 0.00 55.95 56.07 2k3a s SER 98 Cb -0.00 0.51 -0.03 0.00 0.21 0.00 0.00 66.02 66.71 2k3a s SER 98 CO 0.00 -1.03 -0.01 -0.63 0.41 0.00 0.00 173.24 171.98 2k3a s ILE 99 N -4.01 4.15 -0.44 1.44 1.09 -1.16 -0.74 121.20 121.53 2k3a s ILE 99 Ca 0.30 -0.28 -0.16 0.00 -1.10 0.00 0.00 60.65 59.40 2k3a s ILE 99 Cb 0.02 -2.79 0.04 0.00 -1.06 0.00 0.00 42.46 38.67 2k3a s ILE 99 CO 0.11 0.53 0.39 -1.48 -0.10 0.00 0.00 174.94 174.39 2k3a s LEU 100 N -0.11 5.24 -0.68 2.97 2.34 -0.92 -0.19 118.68 127.33 2k3a s LEU 100 Ca 0.04 -1.02 -0.26 0.00 0.06 0.00 0.00 54.13 52.94 2k3a s LEU 100 Cb -0.13 -2.24 -0.01 0.00 -0.56 0.00 0.00 46.19 43.26 2k3a s LEU 100 CO 0.02 -0.59 1.69 -1.58 -1.06 0.00 0.00 176.35 174.84 2k3a s GLN 101 N 1.83 2.80 -0.52 1.48 -0.44 0.12 -3.59 119.66 121.35 2k3a s GLN 101 Ca 0.07 0.27 -0.19 0.00 -2.50 0.00 0.00 55.36 53.00 2k3a s GLN 101 Cb -0.21 -4.40 0.06 0.00 -1.64 0.00 0.00 33.01 26.83 2k3a s GLN 101 CO 0.10 -2.60 0.65 -1.12 0.50 0.00 0.00 175.29 172.82 2k3a s SER 102 N 6.79 6.23 -0.02 6.67 0.01 0.15 -2.08 113.70 131.45 2k3a s SER 102 Ca 0.58 -0.94 0.01 0.00 1.31 0.00 0.00 55.95 56.91 2k3a s SER 102 Cb -0.11 -2.30 0.04 0.00 0.21 0.00 0.00 66.02 63.87 2k3a s SER 102 CO 0.17 -0.94 0.79 0.35 0.41 0.00 0.00 173.24 174.02 2k3a n THR 103 N 5.64 0.60 -3.53 1.44 -2.24 -1.26 -0.75 114.28 114.19 2k3a n THR 103 Ca -0.06 -0.09 -0.41 0.00 -2.27 0.00 0.00 64.05 61.21 2k3a n THR 103 Cb 0.45 -0.71 -0.07 0.00 -2.10 0.00 0.00 70.33 67.90 2k3a n THR 103 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2k3a s ALA 104 N -0.68 3.55 0.12 6.98 0.00 -1.26 -4.88 121.76 125.59 2k3a s ALA 104 Ca 0.03 -2.78 0.00 0.00 0.00 0.00 0.00 51.96 49.22 2k3a s ALA 104 Cb 0.03 -2.94 0.00 0.00 0.00 0.00 0.00 23.12 20.21 2k3a s ALA 104 CO 0.01 -2.00 0.00 0.41 0.00 0.00 0.00 175.76 174.17 2k3a n GLY 105 N 4.56 -1.83 2.55 0.00 0.00 -1.26 -4.72 105.19 104.49 2k3a n GLY 105 Ca -0.02 -1.27 -0.21 0.00 0.00 0.00 0.00 46.02 44.52 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 -1.77 1.38 2.45 -0.02 0.00 -1.26 -1.27 105.19 104.70 2k3a n GLY 106 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 2k3a n GLY 106 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2k3a n TYR 107 N -2.77 -0.11 0.00 1.61 4.02 -1.26 -4.49 117.16 114.16 2k3a n TYR 107 Ca -0.22 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.67 2k3a n TYR 107 Cb 0.68 -3.17 0.00 0.00 -0.02 0.00 0.00 39.34 36.84 2k3a n TYR 107 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2k3a n GLY 108 N -0.30 1.95 3.58 2.72 0.00 -0.39 -4.45 105.19 108.29 2k3a n GLY 108 Ca -0.18 -0.98 -0.31 0.00 0.00 0.00 0.00 46.02 44.56 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 0.00 2.78 -0.03 1.61 2.46 0.07 -4.45 115.29 117.74 2k3a s HIS 109 Ca 0.00 -0.12 -0.03 0.00 0.47 0.00 0.00 55.06 55.37 2k3a s HIS 109 Cb 0.00 -1.50 0.01 0.00 -0.13 0.00 0.00 32.58 30.95 2k3a s HIS 109 CO 0.00 0.39 0.09 0.14 -2.47 0.00 0.00 174.74 172.89 2k3a s VAL 110 N -1.11 0.01 0.09 0.89 -7.23 -1.26 0.35 120.40 112.14 2k3a s VAL 110 Ca 0.19 -0.12 -0.09 0.00 -1.81 0.00 0.00 61.98 60.16 2k3a s VAL 110 Cb -0.11 -0.18 -0.00 0.00 0.56 0.00 0.00 36.38 36.65 2k3a s VAL 110 CO 0.11 -0.06 0.19 0.00 -0.31 0.00 0.00 175.10 175.03 2k3a s ALA 111 N -0.17 -0.24 -0.20 1.32 0.00 -1.24 -4.74 121.76 116.49 2k3a s ALA 111 Ca -0.02 -0.59 -0.16 0.00 0.00 0.00 0.00 51.96 51.19 2k3a s ALA 111 Cb -0.02 0.47 -0.04 0.00 0.00 0.00 0.00 23.12 23.54 2k3a s ALA 111 CO 0.00 -0.50 0.40 -0.47 0.00 0.00 0.00 175.76 175.19 2k3a s TYR 112 N -3.77 3.38 -0.36 0.00 5.04 -1.11 -2.17 117.35 118.37 2k3a s TYR 112 Ca 0.04 0.63 -0.29 0.00 -2.44 0.00 0.00 57.07 55.01 2k3a s TYR 112 Cb 0.04 -2.52 -0.01 0.00 0.35 0.00 0.00 41.96 39.83 2k3a s TYR 112 CO -0.11 0.01 1.66 0.08 -1.34 0.00 0.00 175.55 175.86 2k3a s VAL 113 N 1.24 3.63 -0.06 3.14 1.01 0.08 -0.46 120.40 128.97 2k3a s VAL 113 Ca 0.19 0.64 -0.07 0.00 0.00 0.00 0.00 61.98 62.74 2k3a s VAL 113 Cb -0.15 -3.84 -0.04 0.00 0.00 0.00 0.00 36.38 32.36 2k3a s VAL 113 CO 0.08 -0.53 0.31 -0.33 0.00 0.00 0.00 175.10 174.63 2k3a h GLU 114 N 12.08 -0.24 -3.07 2.72 4.39 -0.83 -3.16 114.58 126.47 2k3a h GLU 114 Ca -0.32 0.02 -0.13 0.00 0.34 0.00 0.00 59.36 59.27 2k3a h GLU 114 Cb 1.15 0.06 -0.22 0.00 -0.10 0.00 0.00 28.75 29.63 2k3a h GLU 114 CO 1.05 -0.16 -0.34 1.21 -1.16 0.00 0.00 179.01 179.61 2k3a s ASN 115 N -4.94 -0.23 -0.22 1.42 2.47 -1.18 -4.66 114.94 107.61 2k3a s ASN 115 Ca -0.04 0.30 -0.08 0.00 0.42 0.00 0.00 52.86 53.45 2k3a s ASN 115 Cb 0.00 0.44 -0.04 0.00 -1.45 0.00 0.00 41.25 40.21 2k3a s ASN 115 CO 0.11 -0.28 0.10 -0.69 -3.72 0.00 0.00 177.10 172.61 2k3a s VAL 116 N -0.66 4.85 -0.02 -5.21 1.01 -1.26 -1.64 120.40 117.48 2k3a s VAL 116 Ca -0.08 -0.00 -0.12 0.00 0.00 0.00 0.00 61.98 61.79 2k3a s VAL 116 Cb -0.04 -3.23 -0.05 0.00 0.00 0.00 0.00 36.38 33.05 2k3a s VAL 116 CO 0.02 0.39 0.33 0.20 0.00 0.00 0.00 175.10 176.04 2k3a s ASN 117 N 0.92 6.66 0.65 3.32 0.01 -0.11 -4.98 114.94 121.41 2k3a s ASN 117 Ca 0.05 0.79 0.41 0.00 -0.71 0.00 0.00 52.86 53.40 2k3a s ASN 117 Cb -0.14 -2.18 2.27 0.00 0.41 0.00 0.00 41.25 41.61 2k3a s ASN 117 CO 0.03 0.32 2.34 0.28 -1.51 0.00 0.00 177.10 178.56 2k3a h SER 118 N 4.58 0.00 0.34 -1.22 0.02 -1.99 0.15 113.55 115.42 2k3a h SER 118 Ca -0.52 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.43 2k3a h SER 118 Cb 1.22 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.76 2k3a h SER 118 CO 0.62 0.00 0.00 0.47 -1.14 0.00 0.00 176.83 176.78 2k3a n ASP 119 N -3.26 0.38 -0.43 3.07 9.92 -1.26 -4.85 116.55 120.11 2k3a n ASP 119 Ca -0.03 0.63 0.00 0.00 -0.53 0.00 0.00 54.79 54.86 2k3a n ASP 119 Cb 0.08 -0.70 0.00 0.00 -0.64 0.00 0.00 41.12 39.87 2k3a n ASP 119 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2k3a n GLY 120 N -0.66 0.69 2.92 0.44 0.00 0.03 -4.95 105.19 103.67 2k3a n GLY 120 Ca 0.01 -0.32 -0.15 0.00 0.00 0.00 0.00 46.02 45.56 2k3a n GLY 120 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2k3a s SER 121 N -2.31 0.44 -0.23 1.61 1.04 -1.18 -0.80 113.70 112.27 2k3a s SER 121 Ca 0.00 -0.06 -0.05 0.00 0.48 0.00 0.00 55.95 56.32 2k3a s SER 121 Cb 0.00 -0.08 -0.01 0.00 0.10 0.00 0.00 66.02 66.03 2k3a s SER 121 CO 0.00 0.03 -0.00 -0.69 0.98 0.00 0.00 173.24 173.55 2k3a s VAL 122 N 0.06 3.66 -0.41 5.02 1.01 0.31 -0.94 120.40 129.12 2k3a s VAL 122 Ca -0.00 -0.44 -0.23 0.00 0.00 0.00 0.00 61.98 61.31 2k3a s VAL 122 Cb -0.03 -2.70 0.02 0.00 0.00 0.00 0.00 36.38 33.66 2k3a s VAL 122 CO -0.00 0.37 0.76 -1.61 0.00 0.00 0.00 175.10 174.62 2k3a s GLU 123 N 1.51 3.57 -0.06 2.72 2.02 -0.65 -0.62 118.70 127.19 2k3a s GLU 123 Ca 0.06 0.07 0.04 0.00 0.02 0.00 0.00 54.97 55.15 2k3a s GLU 123 Cb -0.15 -3.87 -0.02 0.00 0.10 0.00 0.00 34.13 30.19 2k3a s GLU 123 CO -0.01 -0.97 -0.18 0.14 0.02 0.00 0.00 175.26 174.27 2k3a s VAL 124 N 3.13 2.74 -0.34 2.63 -7.23 -0.40 -0.10 120.40 120.84 2k3a s VAL 124 Ca 0.30 -0.83 -0.24 0.00 -1.81 0.00 0.00 61.98 59.40 2k3a s VAL 124 Cb -0.13 -2.06 0.01 0.00 0.56 0.00 0.00 36.38 34.76 2k3a s VAL 124 CO 0.19 0.58 0.80 -0.94 -0.31 0.00 0.00 175.10 175.43 2k3a s SER 125 N -0.48 6.62 0.37 4.85 1.04 0.39 0.37 113.70 126.87 2k3a s SER 125 Ca 0.06 0.52 0.05 0.00 0.48 0.00 0.00 55.95 57.06 2k3a s SER 125 Cb -0.12 -2.41 -0.02 0.00 0.10 0.00 0.00 66.02 63.57 2k3a s SER 125 CO 0.01 -0.70 0.18 -1.84 0.98 0.00 0.00 173.24 171.88 2k3a n GLU 126 N 6.37 0.53 -4.07 4.02 0.28 0.29 -2.74 120.64 125.31 2k3a n GLU 126 Ca 0.04 -3.30 -0.20 0.00 -0.16 0.00 0.00 57.16 53.54 2k3a n GLU 126 Cb 0.48 2.06 -0.16 0.00 1.43 0.00 0.00 31.44 35.25 2k3a n GLU 126 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 177.13 178.38 2k3a s MET 127 N -3.45 0.70 -0.99 3.44 -2.45 -1.26 0.11 119.30 115.40 2k3a s MET 127 Ca 0.26 -0.05 -0.21 0.00 -1.25 0.00 0.00 55.69 54.44 2k3a s MET 127 Cb 0.01 -0.78 0.08 0.00 1.25 0.00 0.00 34.83 35.39 2k3a s MET 127 CO 0.18 -0.12 1.33 1.21 1.05 0.00 0.00 175.02 178.68 2k3a s ASN 128 N 1.06 6.54 0.68 1.11 2.47 -1.26 -5.00 114.94 120.53 2k3a s ASN 128 Ca -0.09 -1.66 -0.17 0.00 0.42 0.00 0.00 52.86 51.36 2k3a s ASN 128 Cb -0.14 -2.51 0.01 0.00 -1.45 0.00 0.00 41.25 37.16 2k3a s ASN 128 CO -0.01 -1.35 1.22 -0.47 -3.72 0.00 0.00 177.10 172.77 2k3a s TYR 129 N 4.16 2.16 0.00 0.43 5.04 -1.26 -1.34 117.35 126.54 2k3a s TYR 129 Ca 0.41 1.55 0.00 0.00 -2.44 0.00 0.00 57.07 56.59 2k3a s TYR 129 Cb -0.02 -3.51 0.00 0.00 0.35 0.00 0.00 41.96 38.78 2k3a s TYR 129 CO -0.10 -2.55 0.00 0.09 -1.34 0.00 0.00 175.55 171.65 2k3a n ASN 130 N -2.26 0.00 0.00 4.32 3.02 -1.26 -4.21 115.26 114.87 2k3a n ASN 130 Ca 0.14 0.00 0.03 0.00 -0.03 0.00 0.00 54.58 54.72 2k3a n ASN 130 Cb 0.50 0.00 0.20 0.00 -0.61 0.00 0.00 39.78 39.87 2k3a n ASN 130 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2k3a n GLY 131 N 0.00 -0.96 3.35 7.41 0.00 -1.25 -4.82 105.19 108.92 2k3a n GLY 131 Ca 0.00 -0.04 -0.11 0.00 0.00 0.00 0.00 46.02 45.87 2k3a n GLY 131 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2k3a s GLY 132 N -1.25 -0.39 0.00 -0.02 0.00 -0.45 -5.05 107.32 100.16 2k3a s GLY 132 Ca 0.10 0.15 0.00 0.00 0.00 0.00 0.00 44.72 44.97 2k3a s GLY 132 CO 0.08 -0.14 0.00 -1.55 0.00 0.00 0.00 173.10 171.49 2k3a n PRO 133 N -0.26 1.99 0.00 2.90 -0.04 -1.26 -4.58 135.00 133.75 2k3a n PRO 133 Ca -0.16 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.30 2k3a n PRO 133 Cb 0.64 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.10 2k3a n PRO 133 CO 0.00 0.00 0.00 1.97 -0.04 0.00 0.00 175.50 177.43 2k3a n PHE 134 N 0.00 0.00 -2.46 0.54 -1.74 -1.26 -4.70 117.46 107.83 2k3a n PHE 134 Ca 0.00 0.00 -0.43 0.00 -0.56 0.00 0.00 57.45 56.46 2k3a n PHE 134 Cb 0.00 -0.01 -0.02 0.00 1.52 0.00 0.00 39.48 40.96 2k3a n PHE 134 CO 0.00 0.00 0.00 0.45 -0.56 0.00 0.00 176.76 176.65 2k3a s SER 135 N -1.24 6.69 -0.13 5.98 0.15 -1.26 -5.00 113.70 118.89 2k3a s SER 135 Ca 0.00 1.11 -0.28 0.00 0.70 0.00 0.00 55.95 57.48 2k3a s SER 135 Cb 0.00 -2.54 -0.01 0.00 -1.71 0.00 0.00 66.02 61.76 2k3a s SER 135 CO 0.00 -1.08 0.97 -0.69 1.20 0.00 0.00 173.24 173.64 2k3a s VAL 136 N 4.33 4.79 -0.01 4.45 1.01 -1.26 -4.38 120.40 129.32 2k3a s VAL 136 Ca 0.54 1.95 0.05 0.00 0.00 0.00 0.00 61.98 64.52 2k3a s VAL 136 Cb -0.15 -4.27 -0.03 0.00 0.00 0.00 0.00 36.38 31.93 2k3a s VAL 136 CO 0.23 -0.01 -0.15 -0.94 0.00 0.00 0.00 175.10 174.23 2k3a s SER 137 N 1.12 4.00 -0.53 3.32 1.04 0.12 -4.90 113.70 117.86 2k3a s SER 137 Ca 0.46 -0.27 -0.20 0.00 0.48 0.00 0.00 55.95 56.42 2k3a s SER 137 Cb -0.17 -0.79 0.06 0.00 0.10 0.00 0.00 66.02 65.22 2k3a s SER 137 CO 0.15 0.31 0.70 -1.61 0.98 0.00 0.00 173.24 173.77 2k3a s GLU 138 N -1.04 3.14 -0.22 4.02 8.01 -1.26 -0.55 118.70 130.81 2k3a s GLU 138 Ca 0.13 -0.85 -0.27 0.00 0.01 0.00 0.00 54.97 53.99 2k3a s GLU 138 Cb -0.11 -4.12 -0.00 0.00 -4.31 0.00 0.00 34.13 25.59 2k3a s GLU 138 CO 0.03 -1.33 0.93 0.50 0.01 0.00 0.00 175.26 175.39 2k3a s ARG 139 N 2.91 4.25 -0.54 1.61 3.52 0.16 -4.73 118.95 126.13 2k3a s ARG 139 Ca 0.17 1.15 -0.25 0.00 -0.13 0.00 0.00 55.73 56.68 2k3a s ARG 139 Cb -0.19 -3.62 0.04 0.00 -1.56 0.00 0.00 34.95 29.62 2k3a s ARG 139 CO 0.12 -0.52 0.95 0.99 -0.81 0.00 0.00 175.30 176.03 2k3a s THR 140 N 2.82 4.39 -0.08 4.11 2.01 -1.26 -1.27 115.64 126.35 2k3a s THR 140 Ca 0.40 0.39 -0.10 0.00 0.31 0.00 0.00 61.69 62.70 2k3a s THR 140 Cb -0.16 -4.53 -0.05 0.00 0.01 0.00 0.00 72.50 67.78 2k3a s THR 140 CO 0.08 -1.07 0.23 -0.63 -0.69 0.00 0.00 174.62 172.54 2k3a s ILE 141 N 3.96 5.35 0.65 1.82 1.01 0.21 -4.88 121.20 129.31 2k3a s ILE 141 Ca 0.32 0.42 -0.15 0.00 0.00 0.00 0.00 60.65 61.24 2k3a s ILE 141 Cb -0.12 -3.51 -0.01 0.00 0.01 0.00 0.00 42.46 38.84 2k3a s ILE 141 CO 0.21 0.60 1.11 -0.44 0.00 0.00 0.00 174.94 176.42 2k3a s SER 142 N -1.00 5.16 0.26 3.58 0.01 -1.26 -0.53 113.70 119.93 2k3a s SER 142 Ca 0.18 2.02 -0.04 0.00 1.31 0.00 0.00 55.95 59.42 2k3a s SER 142 Cb -0.14 -2.55 0.36 0.00 0.21 0.00 0.00 66.02 63.90 2k3a s SER 142 CO 0.07 -1.59 1.91 0.00 0.41 0.00 0.00 173.24 174.03 2k3a h ALA 143 N 0.14 1.36 -0.09 1.44 0.00 -1.33 0.13 119.26 120.91 2k3a h ALA 143 Ca -0.47 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.40 2k3a h ALA 143 Cb 1.25 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 18.69 2k3a h ALA 143 CO 0.54 0.53 0.06 0.78 0.00 0.00 0.00 179.25 181.16 2k3a h GLY 144 N 1.25 0.12 1.04 0.00 0.00 -1.93 -0.99 103.07 102.57 2k3a h GLY 144 Ca 0.40 -0.05 -0.08 0.00 0.00 0.00 0.00 47.33 47.61 2k3a h GLY 144 CO -0.13 0.05 0.06 -2.09 0.00 0.00 0.00 176.54 174.43 2k3a h GLU 145 N 0.11 1.00 -0.79 4.80 4.57 -1.86 -3.08 114.58 119.33 2k3a h GLU 145 Ca 0.03 -0.29 0.07 0.00 -1.18 0.00 0.00 59.36 57.99 2k3a h GLU 145 Cb 0.00 -0.11 -0.06 0.00 -0.16 0.00 0.00 28.75 28.42 2k3a h GLU 145 CO -0.01 0.96 0.47 0.00 -1.18 0.00 0.00 179.01 179.26 2k3a h ALA 146 N 1.00 1.09 0.00 2.92 0.00 -0.55 -0.85 119.26 122.87 2k3a h ALA 146 Ca 0.18 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2k3a h ALA 146 Cb 0.47 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2k3a h ALA 146 CO 0.02 0.17 0.00 1.03 0.00 0.00 0.00 179.25 180.46 2k3a h SER 147 N 0.84 0.00 1.54 0.00 0.87 -1.09 -0.54 113.55 115.17 2k3a h SER 147 Ca 0.36 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.92 2k3a h SER 147 Cb 0.22 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.18 2k3a h SER 147 CO -0.19 0.00 0.00 -1.28 -0.53 0.00 0.00 176.83 174.83 2k3a h SER 148 N 0.00 0.00 -2.35 6.23 0.87 -1.19 -3.46 113.55 113.64 2k3a h SER 148 Ca 0.00 0.00 -0.50 0.00 -1.23 0.00 0.00 61.79 60.06 2k3a h SER 148 Cb 0.05 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 61.98 2k3a h SER 148 CO 0.00 0.00 -0.46 -0.31 -0.53 0.00 0.00 176.83 175.53 2k3a s TYR 149 N -3.26 3.41 -0.40 2.24 2.02 -0.21 -4.79 117.35 116.36 2k3a s TYR 149 Ca 0.07 0.02 -0.15 0.00 -0.37 0.00 0.00 57.07 56.64 2k3a s TYR 149 Cb 0.08 -1.58 0.01 0.00 -0.40 0.00 0.00 41.96 40.08 2k3a s TYR 149 CO 0.60 0.48 0.30 -0.80 -1.57 0.00 0.00 175.55 174.56 2k3a s ASN 150 N -3.64 6.11 -0.53 2.29 0.01 -0.88 -4.66 114.94 113.63 2k3a s ASN 150 Ca 0.34 -0.79 -0.23 0.00 -0.71 0.00 0.00 52.86 51.47 2k3a s ASN 150 Cb -0.10 -2.16 0.04 0.00 0.41 0.00 0.00 41.25 39.45 2k3a s ASN 150 CO 0.28 -0.42 0.87 -0.31 -1.51 0.00 0.00 177.10 176.01 2k3a s TYR 151 N 1.72 2.86 -0.62 2.20 1.51 0.17 0.15 117.35 125.35 2k3a s TYR 151 Ca 0.06 -0.09 -0.27 0.00 -1.01 0.00 0.00 57.07 55.75 2k3a s TYR 151 Cb -0.19 -3.93 0.02 0.00 -0.11 0.00 0.00 41.96 37.75 2k3a s TYR 151 CO 0.10 -1.25 1.40 0.42 -1.11 0.00 0.00 175.55 175.11 2k3a s ILE 152 N 3.64 3.75 0.21 2.71 1.09 0.74 -1.54 121.20 131.78 2k3a s ILE 152 Ca 0.28 0.57 -0.21 0.00 -1.10 0.00 0.00 60.65 60.18 2k3a s ILE 152 Cb -0.14 -4.56 -0.08 0.00 -1.06 0.00 0.00 42.46 36.62 2k3a s ILE 152 CO 0.18 -1.36 0.74 -1.00 -0.10 0.00 0.00 174.94 173.40 2k3a s HIS 153 N 6.15 3.73 -1.73 3.97 3.76 0.85 -2.97 115.29 129.05 2k3a s HIS 153 Ca 0.48 1.47 0.20 0.00 -0.15 0.00 0.00 55.06 57.05 2k3a s HIS 153 Cb -0.10 -2.67 0.55 0.00 1.11 0.00 0.00 32.58 31.48 2k3a s HIS 153 CO 0.22 0.39 1.46 1.28 -0.85 0.00 0.00 174.74 177.24 2k3a n LEU 154 N 0.99 3.68 0.00 0.89 4.77 -1.26 -1.95 117.00 124.13 2k3a n LEU 154 Ca -0.03 -1.98 0.00 0.00 -0.03 0.00 0.00 56.01 53.97 2k3a n LEU 154 Cb 0.50 -0.42 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 2k3a n LEU 154 CO 0.44 0.92 0.00 -3.20 -1.33 0.00 0.00 177.39 174.21