#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 3.94 0.39 3.17 1.02 -1.26 -5.10 119.74 121.90 2k3a s LYS 2 Ca 0.00 0.43 0.05 0.00 0.02 0.00 0.00 55.97 56.47 2k3a s LYS 2 Cb 0.00 -3.09 -0.06 0.00 -0.52 0.00 0.00 37.83 34.16 2k3a s LYS 2 CO 0.00 0.59 0.03 0.15 -0.92 0.00 0.00 175.35 175.21 2k3a s LYS 3 N -1.53 1.86 0.30 1.68 1.02 -1.26 -5.18 119.74 116.64 2k3a s LYS 3 Ca 0.31 -2.07 -0.06 0.00 0.02 0.00 0.00 55.97 54.17 2k3a s LYS 3 Cb -0.16 -1.27 -0.00 0.00 -0.52 0.00 0.00 37.83 35.87 2k3a s LYS 3 CO 0.17 -0.16 0.45 -0.48 -0.92 0.00 0.00 175.35 174.41 2k3a s LEU 4 N -3.63 0.79 0.29 3.17 0.05 -1.26 -5.18 118.68 112.91 2k3a s LEU 4 Ca 0.32 -1.30 0.10 0.00 0.05 0.00 0.00 54.13 53.30 2k3a s LEU 4 Cb 0.08 1.49 -0.05 0.00 -2.05 0.00 0.00 46.19 45.66 2k3a s LEU 4 CO 0.15 -1.22 -0.09 0.68 -0.55 0.00 0.00 176.35 175.33 2k3a s VAL 5 N -3.42 2.79 -0.87 1.48 -7.23 -1.26 -5.08 120.40 106.81 2k3a s VAL 5 Ca 0.29 -2.15 -0.23 0.00 -1.81 0.00 0.00 61.98 58.07 2k3a s VAL 5 Cb 0.00 -2.59 0.06 0.00 0.56 0.00 0.00 36.38 34.41 2k3a s VAL 5 CO 0.16 -0.34 1.27 0.42 -0.31 0.00 0.00 175.10 176.31 2k3a s THR 6 N -2.46 4.07 -0.25 5.32 -4.23 -1.26 -4.99 115.64 111.84 2k3a s THR 6 Ca 0.32 -0.53 -0.04 0.00 -1.18 0.00 0.00 61.69 60.25 2k3a s THR 6 Cb -0.04 -4.92 0.00 0.00 1.34 0.00 0.00 72.50 68.89 2k3a s THR 6 CO 0.17 -1.77 -0.00 0.00 -0.54 0.00 0.00 174.62 172.48 2k3a s ALA 7 N 4.64 2.88 0.36 3.99 0.00 -1.26 -5.08 121.76 127.29 2k3a s ALA 7 Ca 0.37 -1.32 -0.06 0.00 0.00 0.00 0.00 51.96 50.95 2k3a s ALA 7 Cb -0.06 -1.85 0.02 0.00 0.00 0.00 0.00 23.12 21.23 2k3a s ALA 7 CO -0.00 -0.67 0.57 -0.08 0.00 0.00 0.00 175.76 175.58 2k3a s THR 8 N 1.46 0.00 -0.06 0.00 -1.32 -1.26 -5.18 115.64 109.28 2k3a s THR 8 Ca 0.04 -1.43 0.04 0.00 -1.21 0.00 0.00 61.69 59.13 2k3a s THR 8 Cb -0.16 -2.71 -0.00 0.00 -1.51 0.00 0.00 72.50 68.12 2k3a s THR 8 CO -0.02 0.00 -0.19 -0.89 -2.21 0.00 0.00 174.62 171.31 2k3a s THR 9 N -2.82 1.65 -0.03 5.08 2.01 -1.26 -5.13 115.64 115.14 2k3a s THR 9 Ca 0.26 -0.82 0.01 0.00 0.31 0.00 0.00 61.69 61.46 2k3a s THR 9 Cb -0.02 -1.42 0.01 0.00 0.01 0.00 0.00 72.50 71.08 2k3a s THR 9 CO 0.18 0.47 -0.05 -1.48 -0.69 0.00 0.00 174.62 173.05 2k3a s LEU 10 N 0.14 1.59 -0.22 4.42 0.05 -1.26 -5.15 118.68 118.26 2k3a s LEU 10 Ca -0.08 -0.12 -0.06 0.00 0.05 0.00 0.00 54.13 53.92 2k3a s LEU 10 Cb -0.14 -0.39 -0.03 0.00 -2.05 0.00 0.00 46.19 43.58 2k3a s LEU 10 CO 0.04 -0.00 0.03 -0.89 -0.55 0.00 0.00 176.35 174.98 2k3a s THR 11 N 0.49 4.19 0.24 5.48 2.01 -1.26 -5.09 115.64 121.71 2k3a s THR 11 Ca -0.06 -0.22 -0.30 0.00 0.31 0.00 0.00 61.69 61.42 2k3a s THR 11 Cb -0.10 -2.92 -0.09 0.00 0.01 0.00 0.00 72.50 69.40 2k3a s THR 11 CO -0.00 0.40 1.03 0.00 -0.69 0.00 0.00 174.62 175.36 2k3a s ALA 12 N 1.13 3.37 -0.46 7.40 0.00 -1.26 -5.00 121.76 126.94 2k3a s ALA 12 Ca 0.03 0.76 0.07 0.00 0.00 0.00 0.00 51.96 52.82 2k3a s ALA 12 Cb -0.14 -3.28 0.30 0.00 0.00 0.00 0.00 23.12 19.99 2k3a s ALA 12 CO 0.02 -0.02 1.00 0.41 0.00 0.00 0.00 175.76 177.18 2k3a n GLY 13 N 1.48 0.73 3.93 0.00 0.00 -1.26 -5.15 105.19 104.92 2k3a n GLY 13 Ca -0.01 -0.12 -0.27 0.00 0.00 0.00 0.00 46.02 45.62 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 0.15 5.20 0.00 -0.61 -4.36 -1.26 -5.06 121.20 115.26 2k3a s ILE 14 Ca 0.27 -0.39 0.00 0.00 -0.26 0.00 0.00 60.65 60.27 2k3a s ILE 14 Cb 0.27 -3.74 0.00 0.00 1.25 0.00 0.00 42.46 40.24 2k3a s ILE 14 CO -0.11 -0.20 0.00 0.61 0.24 0.00 0.00 174.94 175.48 2k3a n GLY 15 N -0.75 -0.59 3.48 6.27 0.00 -1.26 -5.13 105.19 107.21 2k3a n GLY 15 Ca -0.05 0.69 -0.43 0.00 0.00 0.00 0.00 46.02 46.22 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 3.36 0.32 4.61 0.00 -1.26 -5.06 121.76 123.72 2k3a s ALA 16 Ca 0.00 -1.51 -0.11 0.00 0.00 0.00 0.00 51.96 50.33 2k3a s ALA 16 Cb 0.00 -3.34 -0.07 0.00 0.00 0.00 0.00 23.12 19.70 2k3a s ALA 16 CO 0.00 -1.94 0.68 0.00 0.00 0.00 0.00 175.76 174.50 2k3a s ALA 17 N 2.76 3.42 0.21 0.00 0.00 -1.26 -5.10 121.76 121.79 2k3a s ALA 17 Ca 0.18 -0.16 0.05 0.00 0.00 0.00 0.00 51.96 52.03 2k3a s ALA 17 Cb -0.17 -2.62 -0.05 0.00 0.00 0.00 0.00 23.12 20.29 2k3a s ALA 17 CO 0.15 0.28 -0.06 0.96 0.00 0.00 0.00 175.76 177.09 2k3a s ILE 18 N -2.05 1.23 -0.56 0.00 -4.36 -1.26 -5.11 121.20 109.08 2k3a s ILE 18 Ca 0.51 -2.07 -0.17 0.00 -0.26 0.00 0.00 60.65 58.65 2k3a s ILE 18 Cb -0.11 -2.16 0.12 0.00 1.25 0.00 0.00 42.46 41.56 2k3a s ILE 18 CO 0.23 -0.49 0.60 -0.69 0.24 0.00 0.00 174.94 174.83 2k3a s VAL 19 N -3.29 5.02 -0.21 8.37 1.01 -1.26 -5.05 120.40 124.98 2k3a s VAL 19 Ca 0.24 -1.24 -0.05 0.00 0.00 0.00 0.00 61.98 60.93 2k3a s VAL 19 Cb 0.04 -4.41 -0.02 0.00 0.00 0.00 0.00 36.38 31.99 2k3a s VAL 19 CO 0.06 -0.99 -0.00 -0.83 0.00 0.00 0.00 175.10 173.34 2k3a s GLY 20 N 3.59 1.69 -0.12 4.51 0.00 -1.26 -5.08 107.32 110.66 2k3a s GLY 20 Ca 0.07 -1.07 -0.04 0.00 0.00 0.00 0.00 44.72 43.69 2k3a s GLY 20 CO 0.05 0.34 0.12 -2.27 0.00 0.00 0.00 173.10 171.34 2k3a s LEU 21 N 1.24 0.10 0.05 0.66 1.98 -1.26 -5.15 118.68 116.31 2k3a s LEU 21 Ca 0.03 -0.10 -0.22 0.00 -2.89 0.00 0.00 54.13 50.95 2k3a s LEU 21 Cb -0.15 0.03 -0.06 0.00 0.66 0.00 0.00 46.19 46.68 2k3a s LEU 21 CO 0.01 -0.29 0.66 -1.81 -1.89 0.00 0.00 176.35 173.03 2k3a s ASP 22 N 2.22 7.12 -0.09 3.68 1.11 -1.26 -5.07 116.67 124.39 2k3a s ASP 22 Ca 0.04 1.34 -0.16 0.00 0.18 0.00 0.00 52.55 53.95 2k3a s ASP 22 Cb -0.14 -2.41 0.04 0.00 1.07 0.00 0.00 42.92 41.48 2k3a s ASP 22 CO -0.07 0.14 0.39 -1.38 1.18 0.00 0.00 175.17 175.43 2k3a s HIS 23 N -0.54 -0.35 0.17 4.23 -3.43 -1.26 -5.18 115.29 108.94 2k3a s HIS 23 Ca 0.33 0.75 -0.05 0.00 -0.80 0.00 0.00 55.06 55.29 2k3a s HIS 23 Cb -0.20 0.15 -0.03 0.00 -1.43 0.00 0.00 32.58 31.08 2k3a s HIS 23 CO 0.21 -0.32 0.19 0.20 -2.00 0.00 0.00 174.74 173.01 2k3a s GLY 24 N -0.55 0.91 -0.23 -1.38 0.00 -1.26 -5.16 107.32 99.64 2k3a s GLY 24 Ca -0.07 -1.29 -0.04 0.00 0.00 0.00 0.00 44.72 43.32 2k3a s GLY 24 CO 0.03 -1.13 0.39 0.54 0.00 0.00 0.00 173.10 172.93 2k3a s ASN 25 N -3.05 0.05 -0.15 1.64 4.22 -1.26 -5.15 114.94 111.25 2k3a s ASN 25 Ca 0.26 0.47 -0.10 0.00 -2.14 0.00 0.00 52.86 51.35 2k3a s ASN 25 Cb 0.05 1.21 0.05 0.00 1.28 0.00 0.00 41.25 43.84 2k3a s ASN 25 CO 0.05 -0.28 0.36 -1.83 -2.04 0.00 0.00 177.10 173.36 2k3a s GLU 26 N 2.57 0.37 -0.17 3.55 -1.05 -1.26 -5.15 118.70 117.56 2k3a s GLU 26 Ca 0.09 0.65 -0.04 0.00 -0.15 0.00 0.00 54.97 55.52 2k3a s GLU 26 Cb -0.14 0.03 0.07 0.00 -0.44 0.00 0.00 34.13 33.65 2k3a s GLU 26 CO -0.15 -0.12 0.17 0.00 0.95 0.00 0.00 175.26 176.11 2k3a s ALA 27 N 0.98 -0.07 -0.38 -0.84 0.00 -1.26 -5.12 121.76 115.07 2k3a s ALA 27 Ca -0.06 0.18 -0.16 0.00 0.00 0.00 0.00 51.96 51.91 2k3a s ALA 27 Cb -0.07 -1.14 0.01 0.00 0.00 0.00 0.00 23.12 21.92 2k3a s ALA 27 CO -0.08 -1.06 0.40 -0.51 0.00 0.00 0.00 175.76 174.52 2k3a s ASP 28 N 2.27 6.19 -0.40 0.00 1.11 -1.26 -4.95 116.67 119.64 2k3a s ASP 28 Ca 0.05 -0.45 0.06 0.00 0.18 0.00 0.00 52.55 52.39 2k3a s ASP 28 Cb -0.15 -2.21 0.43 0.00 1.07 0.00 0.00 42.92 42.06 2k3a s ASP 28 CO -0.10 -0.46 1.12 0.00 1.18 0.00 0.00 175.17 176.91 2k3a n ALA 29 N 5.50 4.96 -1.52 5.23 0.00 -1.26 -5.06 120.51 128.35 2k3a n ALA 29 Ca -0.08 -4.14 -0.46 0.00 0.00 0.00 0.00 53.44 48.76 2k3a n ALA 29 Cb 0.48 -0.51 -0.05 0.00 0.00 0.00 0.00 19.45 19.37 2k3a n ALA 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k3a n ALA 30 N -0.52 1.38 -2.25 0.00 0.00 -1.26 -4.86 120.51 113.01 2k3a n ALA 30 Ca 0.38 -0.22 -0.33 0.00 0.00 0.00 0.00 53.44 53.28 2k3a n ALA 30 Cb 0.74 -2.77 -0.04 0.00 0.00 0.00 0.00 19.45 17.38 2k3a n ALA 30 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2k3a s GLU 31 N 6.50 2.97 -0.75 0.00 2.02 -1.26 -4.92 118.70 123.26 2k3a s GLU 31 Ca 1.05 -0.86 -0.19 0.00 0.02 0.00 0.00 54.97 54.99 2k3a s GLU 31 Cb -0.57 -5.23 0.11 0.00 0.10 0.00 0.00 34.13 28.55 2k3a s GLU 31 CO 0.41 -3.06 0.93 -0.65 0.02 0.00 0.00 175.26 172.90 2k3a s GLN 32 N 6.07 3.30 0.00 1.61 -0.21 -1.26 -4.84 119.66 124.33 2k3a s GLN 32 Ca 0.62 -1.44 0.26 0.00 0.02 0.00 0.00 55.36 54.81 2k3a s GLN 32 Cb -0.03 -4.50 0.98 0.00 1.00 0.00 0.00 33.01 30.46 2k3a s GLN 32 CO 0.00 -1.68 1.69 -2.37 -2.12 0.00 0.00 175.29 170.82 2k3a n THR 33 N 5.49 0.07 -2.96 -0.19 5.66 -1.26 -5.00 114.28 116.09 2k3a n THR 33 Ca 0.06 -0.27 -0.11 0.00 -3.05 0.00 0.00 64.05 60.67 2k3a n THR 33 Cb 0.46 0.43 0.01 0.00 -1.55 0.00 0.00 70.33 69.69 2k3a n THR 33 CO 0.00 0.00 0.00 1.67 -3.05 0.00 0.00 175.07 173.69 2k3a n GLN 34 N 0.19 -2.22 -2.65 1.09 7.27 -1.26 -4.93 117.38 114.87 2k3a n GLN 34 Ca 0.18 1.96 -0.42 0.00 0.07 0.00 0.00 57.00 58.80 2k3a n GLN 34 Cb 0.34 -5.21 -0.03 0.00 2.41 0.00 0.00 30.24 27.74 2k3a n GLN 34 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 2k3a s PRO 35 N -2.67 3.17 0.22 3.69 0.04 -1.26 -5.03 135.00 133.17 2k3a s PRO 35 Ca 0.24 -0.42 -0.06 0.00 0.04 0.00 0.00 61.00 60.79 2k3a s PRO 35 Cb -0.06 -4.19 -0.06 0.00 0.04 0.00 0.00 34.50 30.23 2k3a s PRO 35 CO 0.78 -2.02 0.49 0.95 0.04 0.00 0.00 177.00 177.24 2k3a s THR 36 N 5.16 5.04 0.23 1.26 -4.23 -1.26 -5.11 115.64 116.72 2k3a s THR 36 Ca 0.31 0.16 0.04 0.00 -1.18 0.00 0.00 61.69 61.03 2k3a s THR 36 Cb -0.11 -3.66 -0.05 0.00 1.34 0.00 0.00 72.50 70.02 2k3a s THR 36 CO 0.14 -0.13 -0.03 0.54 -0.54 0.00 0.00 174.62 174.60 2k3a s ASN 37 N -2.70 2.00 0.15 3.99 2.20 -1.26 -5.06 114.94 114.26 2k3a s ASN 37 Ca 0.44 -1.18 -0.11 0.00 -0.94 0.00 0.00 52.86 51.07 2k3a s ASN 37 Cb -0.11 -0.03 -0.02 0.00 -2.00 0.00 0.00 41.25 39.09 2k3a s ASN 37 CO 0.25 -0.45 1.50 0.06 -2.94 0.00 0.00 177.10 175.53 2k3a h GLN 38 N 2.48 0.97 -1.09 3.55 3.07 -2.05 -3.44 115.11 118.60 2k3a h GLN 38 Ca -0.38 -0.47 0.14 0.00 0.09 0.00 0.00 58.65 58.03 2k3a h GLN 38 Cb 1.22 -0.00 -0.22 0.00 0.08 0.00 0.00 27.48 28.56 2k3a h GLN 38 CO 0.65 1.14 -0.01 -1.54 0.09 0.00 0.00 178.83 179.16 2k3a s SER 39 N -6.79 -0.90 -1.11 0.06 1.04 -1.26 -5.07 113.70 99.66 2k3a s SER 39 Ca -0.11 0.89 -0.19 0.00 0.48 0.00 0.00 55.95 57.02 2k3a s SER 39 Cb 0.12 1.89 -0.06 0.00 0.10 0.00 0.00 66.02 68.06 2k3a s SER 39 CO 0.88 -0.17 1.99 1.07 0.98 0.00 0.00 173.24 177.99 2k3a n THR 40 N 5.30 2.60 -3.42 2.02 5.66 -1.26 -4.73 114.28 120.45 2k3a n THR 40 Ca -0.07 -2.41 -0.24 0.00 -3.05 0.00 0.00 64.05 58.28 2k3a n THR 40 Cb 0.52 -2.39 -0.10 0.00 -1.55 0.00 0.00 70.33 66.80 2k3a n THR 40 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 2k3a s THR 41 N 5.30 -0.08 -0.03 1.09 2.01 -1.26 -4.98 115.64 117.69 2k3a s THR 41 Ca 0.56 -1.34 0.16 0.00 0.31 0.00 0.00 61.69 61.37 2k3a s THR 41 Cb 0.11 -0.93 -0.24 0.00 0.01 0.00 0.00 72.50 71.45 2k3a s THR 41 CO 0.05 -0.80 0.32 0.00 -0.69 0.00 0.00 174.62 173.50 2k3a n GLN 42 N 4.21 0.59 -1.90 4.92 10.64 -1.26 -4.81 117.38 129.76 2k3a n GLN 42 Ca 0.10 -0.13 -0.39 0.00 -1.83 0.00 0.00 57.00 54.76 2k3a n GLN 42 Cb 0.41 -1.37 -0.03 0.00 -0.86 0.00 0.00 30.24 28.38 2k3a n GLN 42 CO 0.00 0.00 0.00 0.43 -1.83 0.00 0.00 177.06 175.66 2k3a n SER 43 N -2.10 3.60 -0.05 2.61 7.64 -1.26 -4.59 113.62 119.48 2k3a n SER 43 Ca -0.05 -2.78 -0.11 0.00 1.01 0.00 0.00 58.87 56.94 2k3a n SER 43 Cb 0.47 -1.57 -0.10 0.00 -1.01 0.00 0.00 64.21 62.00 2k3a n SER 43 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 2k3a h THR 44 N 5.12 1.34 -3.59 0.44 1.35 -2.05 -3.40 112.91 112.13 2k3a h THR 44 Ca 0.41 -1.90 -0.74 0.00 -0.55 0.00 0.00 66.41 63.62 2k3a h THR 44 Cb 0.79 2.49 -0.31 0.00 -1.73 0.00 0.00 68.15 69.39 2k3a h THR 44 CO 1.61 0.44 -0.03 -0.55 -0.25 0.00 0.00 175.52 176.74 2k3a s SER 45 N -5.99 6.22 0.00 5.36 0.15 -1.26 -4.77 113.70 113.41 2k3a s SER 45 Ca -0.15 -3.12 0.00 0.00 0.70 0.00 0.00 55.95 53.38 2k3a s SER 45 Cb -0.02 -2.04 0.00 0.00 -1.71 0.00 0.00 66.02 62.26 2k3a s SER 45 CO 0.54 -0.38 0.00 0.61 1.20 0.00 0.00 173.24 175.21 2k3a n GLY 46 N 3.25 0.00 3.58 9.45 0.00 -1.26 -4.93 105.19 115.27 2k3a n GLY 46 Ca 0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.78 2k3a n GLY 46 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2k3a s SER 47 N -2.47 6.36 -1.05 1.61 1.04 -1.26 -4.92 113.70 113.01 2k3a s SER 47 Ca 0.00 -2.13 -0.23 0.00 0.48 0.00 0.00 55.95 54.07 2k3a s SER 47 Cb 0.00 -2.58 -0.04 0.00 0.10 0.00 0.00 66.02 63.50 2k3a s SER 47 CO 0.00 -1.67 1.87 -0.55 0.98 0.00 0.00 173.24 173.86 2k3a s SER 48 N 4.91 5.41 -0.17 7.02 0.15 -1.26 -4.92 113.70 124.84 2k3a s SER 48 Ca 0.57 -1.27 0.01 0.00 0.70 0.00 0.00 55.95 55.96 2k3a s SER 48 Cb 0.02 -2.57 0.02 0.00 -1.71 0.00 0.00 66.02 61.78 2k3a s SER 48 CO 0.07 -2.58 -0.16 0.00 1.20 0.00 0.00 173.24 171.77 2k3a s ALA 49 N 9.30 2.10 -0.87 5.45 0.00 -1.26 -5.08 121.76 131.40 2k3a s ALA 49 Ca 0.65 -1.10 -0.23 0.00 0.00 0.00 0.00 51.96 51.28 2k3a s ALA 49 Cb -0.03 -1.15 0.06 0.00 0.00 0.00 0.00 23.12 22.00 2k3a s ALA 49 CO 0.04 -0.43 1.28 -0.80 0.00 0.00 0.00 175.76 175.84 2k3a s ASN 50 N 1.38 6.38 0.48 0.00 -0.87 -1.26 -4.83 114.94 116.21 2k3a s ASN 50 Ca 0.04 -1.20 0.32 0.00 -1.57 0.00 0.00 52.86 50.45 2k3a s ASN 50 Cb -0.13 -2.52 1.37 0.00 -0.02 0.00 0.00 41.25 39.95 2k3a s ASN 50 CO -0.11 -1.52 1.94 -0.07 -2.57 0.00 0.00 177.10 174.77 2k3a h LEU 51 N 12.27 0.00-10.51 0.60 -0.00 -1.98 -3.44 115.31 112.25 2k3a h LEU 51 Ca -0.01 0.00 -0.44 0.00 -0.00 0.00 0.00 57.88 57.43 2k3a h LEU 51 Cb 1.03 0.00 0.16 0.00 -0.00 0.00 0.00 40.66 41.85 2k3a h LEU 51 CO 1.30 0.00 0.25 -0.31 -0.00 0.00 0.00 178.44 179.68 2k3a s TYR 52 N -3.62 1.58 0.07 1.13 2.02 -1.26 -5.07 117.35 112.20 2k3a s TYR 52 Ca 0.01 0.64 0.03 0.00 -0.37 0.00 0.00 57.07 57.38 2k3a s TYR 52 Cb 0.09 -3.54 -0.04 0.00 -0.40 0.00 0.00 41.96 38.08 2k3a s TYR 52 CO 0.47 -3.02 0.06 -0.08 -1.57 0.00 0.00 175.55 171.42 2k3a s THR 53 N -3.26 4.46 -0.22 -0.71 -1.32 -1.26 -4.98 115.64 108.34 2k3a s THR 53 Ca 0.68 -0.76 -0.29 0.00 -1.21 0.00 0.00 61.69 60.12 2k3a s THR 53 Cb -0.11 -3.13 -0.02 0.00 -1.51 0.00 0.00 72.50 67.72 2k3a s THR 53 CO 0.55 0.16 1.57 0.00 -2.21 0.00 0.00 174.62 174.69 2k3a s ALA 54 N -1.35 3.30 0.00 11.08 0.00 -1.26 -2.83 121.76 130.71 2k3a s ALA 54 Ca 0.28 0.44 0.00 0.00 0.00 0.00 0.00 51.96 52.68 2k3a s ALA 54 Cb -0.12 -3.83 0.00 0.00 0.00 0.00 0.00 23.12 19.17 2k3a s ALA 54 CO 0.20 -1.89 0.00 0.41 0.00 0.00 0.00 175.76 174.48 2k3a n GLY 55 N 4.58 1.41 3.90 0.00 0.00 -1.26 -5.12 105.19 108.70 2k3a n GLY 55 Ca 0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.86 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 3.44 0.59 1.61 -1.52 -1.13 -4.99 119.66 117.65 2k3a s GLN 56 Ca 0.00 -0.29 0.28 0.00 -1.95 0.00 0.00 55.36 53.41 2k3a s GLN 56 Cb 0.00 -3.11 1.61 0.00 -0.22 0.00 0.00 33.01 31.29 2k3a s GLN 56 CO 0.00 0.69 2.06 0.00 -0.25 0.00 0.00 175.29 177.80 2k3a h THR 58 N 0.00 0.91 0.43 0.00 1.35 -1.92 -3.30 112.91 110.39 2k3a h THR 58 Ca 0.11 -0.99 -0.02 0.00 -0.55 0.00 0.00 66.41 64.96 2k3a h THR 58 Cb 0.61 1.58 0.00 0.00 -1.73 0.00 0.00 68.15 68.62 2k3a h THR 58 CO -0.00 0.26 -0.21 -0.25 -0.25 0.00 0.00 175.52 175.07 2k3a h TRP 59 N 0.00 -0.54 -0.20 4.73 7.01 -1.26 -3.05 115.95 122.64 2k3a h TRP 59 Ca -0.00 -0.01 -0.04 0.00 2.11 0.00 0.00 58.89 60.94 2k3a h TRP 59 Cb 0.56 0.18 -0.01 0.00 -2.10 0.00 0.00 29.16 27.79 2k3a h TRP 59 CO 0.00 -0.34 -0.06 0.10 -2.79 0.00 0.00 178.44 175.36 2k3a h TYR 60 N -0.75 0.30 -0.61 2.65 -0.00 -1.71 -2.36 116.97 114.49 2k3a h TYR 60 Ca -0.06 -0.03 -0.03 0.00 -0.00 0.00 0.00 58.73 58.61 2k3a h TYR 60 Cb 0.45 -0.09 -0.03 0.00 -0.00 0.00 0.00 36.73 37.06 2k3a h TYR 60 CO 0.07 0.36 0.24 0.28 -0.00 0.00 0.00 178.16 179.11 2k3a h VAL 61 N 0.29 1.22 -0.77 -0.90 2.07 -1.64 -1.20 116.25 115.32 2k3a h VAL 61 Ca 0.06 -0.67 0.03 0.00 0.82 0.00 0.00 66.70 66.94 2k3a h VAL 61 Cb 0.29 0.49 -0.04 0.00 -1.52 0.00 0.00 31.29 30.52 2k3a h VAL 61 CO 0.01 0.27 0.51 0.22 0.02 0.00 0.00 177.57 178.60 2k3a h TYR 62 N 0.87 0.92 -0.10 1.57 3.20 -1.30 -0.22 116.97 121.90 2k3a h TYR 62 Ca 0.21 0.02 -0.22 0.00 3.14 0.00 0.00 58.73 61.88 2k3a h TYR 62 Cb 0.17 -0.31 0.01 0.00 1.54 0.00 0.00 36.73 38.14 2k3a h TYR 62 CO 0.01 0.55 -0.78 0.22 -1.64 0.00 0.00 178.16 176.52 2k3a h ASP 63 N 0.97 0.87 -0.57 -2.11 3.58 -1.43 0.24 116.42 117.97 2k3a h ASP 63 Ca 0.30 -0.66 0.04 0.00 0.42 0.00 0.00 57.03 57.13 2k3a h ASP 63 Cb 0.00 -0.26 -0.04 0.00 1.72 0.00 0.00 39.33 40.75 2k3a h ASP 63 CO -0.08 1.40 0.32 0.11 -2.88 0.00 0.00 179.24 178.11 2k3a h LYS 64 N 0.41 0.60 0.00 0.28 1.79 -0.69 -1.42 116.57 117.54 2k3a h LYS 64 Ca -0.07 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.37 2k3a h LYS 64 Cb 1.43 -0.14 0.00 0.00 -1.58 0.00 0.00 32.23 31.94 2k3a h LYS 64 CO 0.16 0.40 0.00 1.55 -1.08 0.00 0.00 179.45 180.48 2k3a n VAL 65 N -4.81 0.05 -1.34 0.50 3.14 -0.14 -4.89 118.33 110.83 2k3a n VAL 65 Ca 0.05 0.01 -0.04 0.00 -2.96 0.00 0.00 64.34 61.41 2k3a n VAL 65 Cb 0.12 -0.55 -0.01 0.00 -1.06 0.00 0.00 33.84 32.33 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 0.97 0.58 2.50 7.55 0.00 -0.53 -3.50 105.19 112.76 2k3a n GLY 66 Ca 0.17 -0.85 -0.07 0.00 0.00 0.00 0.00 46.02 45.27 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 -2.14 0.84 0.00 -0.02 0.00 0.84 -4.86 105.19 99.84 2k3a n GLY 67 Ca -0.04 -0.21 0.12 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.38 0.00 -4.67 1.61 3.02 -1.23 -4.79 115.26 108.82 2k3a n ASN 68 Ca -0.07 -1.24 -0.30 0.00 -0.03 0.00 0.00 54.58 52.93 2k3a n ASN 68 Cb 0.38 0.00 -0.08 0.00 -0.61 0.00 0.00 39.78 39.47 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 -2.00 3.91 -0.37 2.41 -4.36 -1.26 -5.02 121.20 114.52 2k3a s ILE 69 Ca 0.35 -1.01 -0.29 0.00 -0.26 0.00 0.00 60.65 59.44 2k3a s ILE 69 Cb 0.16 -2.85 -0.00 0.00 1.25 0.00 0.00 42.46 41.02 2k3a s ILE 69 CO 0.27 0.14 1.55 -0.83 0.24 0.00 0.00 174.94 176.30 2k3a s GLY 70 N -2.23 1.02 0.00 6.27 0.00 -1.26 -4.87 107.32 106.25 2k3a s GLY 70 Ca 0.25 0.03 0.07 0.00 0.00 0.00 0.00 44.72 45.07 2k3a s GLY 70 CO 0.17 2.94 0.99 -1.26 0.00 0.00 0.00 173.10 175.94 2k3a n SER 71 N 9.23 0.00 0.11 1.64 2.88 -1.26 -2.59 113.62 123.62 2k3a n SER 71 Ca 0.19 0.01 0.09 0.00 -1.33 0.00 0.00 58.87 57.83 2k3a n SER 71 Cb 0.47 -0.16 0.42 0.00 -0.75 0.00 0.00 64.21 64.19 2k3a n SER 71 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 2k3a n THR 72 N -1.16 1.14 0.03 2.46 5.66 -1.26 -2.91 114.28 118.24 2k3a n THR 72 Ca 0.04 0.49 -0.11 0.00 -3.05 0.00 0.00 64.05 61.42 2k3a n THR 72 Cb 0.04 -1.44 -0.06 0.00 -1.55 0.00 0.00 70.33 67.32 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 0.00 -0.03 0.00 1.09 6.55 -1.90 -3.48 115.95 118.17 2k3a h TRP 73 Ca 0.00 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.84 2k3a h TRP 73 Cb 0.14 0.02 0.00 0.00 -0.86 0.00 0.00 29.16 28.46 2k3a h TRP 73 CO 0.00 -0.02 0.00 0.41 -1.05 0.00 0.00 178.44 177.78 2k3a n GLY 74 N -1.12 0.85 3.77 1.49 0.00 -1.15 -4.74 105.19 104.30 2k3a n GLY 74 Ca -0.06 -1.09 -0.41 0.00 0.00 0.00 0.00 46.02 44.46 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 2.73 3.70 -0.33 1.61 3.02 -1.26 -4.88 115.26 119.86 2k3a n ASN 75 Ca 0.00 1.21 0.08 0.00 -0.03 0.00 0.00 54.58 55.84 2k3a n ASN 75 Cb 0.00 -1.62 0.24 0.00 -0.61 0.00 0.00 39.78 37.80 2k3a n ASN 75 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2k3a h ALA 76 N 2.83 1.42 0.00 5.41 0.00 -1.93 -0.33 119.26 126.66 2k3a h ALA 76 Ca -0.51 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.46 2k3a h ALA 76 Cb 1.25 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.94 2k3a h ALA 76 CO 0.63 0.03 -0.02 -2.95 0.00 0.00 0.00 179.25 176.94 2k3a h ASN 77 N 0.78 0.00 1.22 0.00 7.08 -1.88 -1.16 115.58 121.61 2k3a h ASN 77 Ca 0.49 0.00 -0.10 0.00 -3.08 0.00 0.00 56.30 53.61 2k3a h ASN 77 Cb 0.63 0.00 -0.02 0.00 -2.08 0.00 0.00 38.32 36.85 2k3a h ASN 77 CO -0.33 0.02 -0.82 -1.13 -2.08 0.00 0.00 177.43 173.10 2k3a h ASN 78 N 0.00 0.00 -0.81 6.14 -1.24 -1.39 -3.39 115.58 114.89 2k3a h ASN 78 Ca -0.00 0.00 0.20 0.00 0.71 0.00 0.00 56.30 57.21 2k3a h ASN 78 Cb 0.10 0.00 -0.14 0.00 0.73 0.00 0.00 38.32 39.01 2k3a h ASN 78 CO 0.00 0.42 0.05 -0.50 -1.29 0.00 0.00 177.43 176.11 2k3a h TRP 79 N 0.00 0.02 -0.97 0.67 4.06 -1.15 0.17 115.95 118.75 2k3a h TRP 79 Ca -0.06 0.06 0.04 0.00 2.06 0.00 0.00 58.89 61.00 2k3a h TRP 79 Cb 1.37 0.12 -0.06 0.00 -1.00 0.00 0.00 29.16 29.59 2k3a h TRP 79 CO 0.00 -0.26 0.63 0.00 -3.56 0.00 0.00 178.44 175.25 2k3a h ALA 80 N 1.76 1.30 0.06 1.49 0.00 -1.75 0.11 119.26 122.23 2k3a h ALA 80 Ca 0.46 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 55.24 2k3a h ALA 80 Cb 0.86 -0.33 0.01 0.00 0.00 0.00 0.00 17.79 18.33 2k3a h ALA 80 CO -0.70 0.48 -0.42 1.03 0.00 0.00 0.00 179.25 179.64 2k3a h SER 81 N 1.19 0.21 -0.80 0.00 0.87 -1.16 -3.04 113.55 110.81 2k3a h SER 81 Ca 0.39 -0.97 -0.01 0.00 -1.23 0.00 0.00 61.79 59.97 2k3a h SER 81 Cb 0.05 -0.07 -0.04 0.00 -0.44 0.00 0.00 62.40 61.90 2k3a h SER 81 CO -0.14 1.20 0.45 0.00 -0.53 0.00 0.00 176.83 177.80 2k3a h ALA 82 N 0.02 1.03 0.38 6.23 0.00 -0.72 0.13 119.26 126.33 2k3a h ALA 82 Ca -0.08 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 2k3a h ALA 82 Cb 1.30 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.77 2k3a h ALA 82 CO 0.06 0.54 -0.18 0.00 0.00 0.00 0.00 179.25 179.67 2k3a h ALA 83 N 1.24 -0.50 -0.76 0.00 0.00 -0.91 0.74 119.26 119.06 2k3a h ALA 83 Ca 0.28 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 55.09 2k3a h ALA 83 Cb 0.02 0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 2k3a h ALA 83 CO -0.05 -0.77 0.50 0.66 0.00 0.00 0.00 179.25 179.60 2k3a h SER 84 N -0.53 0.86 0.29 0.00 4.64 -1.39 0.23 113.55 117.65 2k3a h SER 84 Ca -0.05 -0.02 -0.06 0.00 -0.47 0.00 0.00 61.79 61.19 2k3a h SER 84 Cb 0.40 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 62.27 2k3a h SER 84 CO 0.08 0.62 -0.27 -1.28 -0.87 0.00 0.00 176.83 175.11 2k3a h SER 85 N 1.02 0.00 0.29 4.97 0.87 -0.89 -2.44 113.55 117.38 2k3a h SER 85 Ca 0.28 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.84 2k3a h SER 85 Cb -0.10 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.86 2k3a h SER 85 CO -0.07 0.27 -0.13 0.00 -0.53 0.00 0.00 176.83 176.37 2k3a n ALA 86 N -2.48 2.82 -0.03 6.23 0.00 0.24 -4.92 120.51 122.38 2k3a n ALA 86 Ca -0.02 -0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.11 2k3a n ALA 86 Cb 0.33 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.49 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 1.28 0.66 3.70 0.00 0.00 -0.61 -5.05 105.19 105.17 2k3a n GLY 87 Ca 0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.04 1.55 -0.87 1.61 1.51 0.72 -4.90 117.35 114.93 2k3a s TYR 88 Ca 0.00 0.69 -0.06 0.00 -1.01 0.00 0.00 57.07 56.68 2k3a s TYR 88 Cb 0.00 -3.47 0.22 0.00 -0.11 0.00 0.00 41.96 38.60 2k3a s TYR 88 CO 0.00 -3.11 0.77 0.99 -1.11 0.00 0.00 175.55 173.09 2k3a s THR 89 N -3.17 4.87 -0.41 -0.71 2.01 -0.87 -4.35 115.64 113.01 2k3a s THR 89 Ca 0.68 -3.25 -0.19 0.00 0.31 0.00 0.00 61.69 59.24 2k3a s THR 89 Cb -0.13 -4.02 0.02 0.00 0.01 0.00 0.00 72.50 68.38 2k3a s THR 89 CO 0.55 -1.05 0.54 -0.69 -0.69 0.00 0.00 174.62 173.29 2k3a s VAL 90 N -0.70 4.96 0.10 3.82 1.01 -1.26 0.03 120.40 128.36 2k3a s VAL 90 Ca 0.24 0.01 -0.11 0.00 0.00 0.00 0.00 61.98 62.12 2k3a s VAL 90 Cb -0.11 -4.09 0.01 0.00 0.00 0.00 0.00 36.38 32.18 2k3a s VAL 90 CO -0.09 -0.45 0.26 0.20 0.00 0.00 0.00 175.10 175.02 2k3a s ASN 91 N 1.88 0.01 0.00 3.32 0.01 -0.50 -4.94 114.94 114.72 2k3a s ASN 91 Ca 0.18 -0.54 0.00 0.00 -0.71 0.00 0.00 52.86 51.79 2k3a s ASN 91 Cb -0.15 0.38 0.00 0.00 0.41 0.00 0.00 41.25 41.89 2k3a s ASN 91 CO 0.16 -0.77 0.55 0.59 -1.51 0.00 0.00 177.10 176.12 2k3a n ASN 92 N -0.11 1.42 -4.59 -1.22 4.13 -1.26 -0.80 115.26 112.84 2k3a n ASN 92 Ca -0.15 -1.52 -0.43 0.00 1.68 0.00 0.00 54.58 54.16 2k3a n ASN 92 Cb 0.63 -0.38 -0.03 0.00 -1.54 0.00 0.00 39.78 38.46 2k3a n ASN 92 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 2k3a s SER 93 N 0.30 6.54 0.00 6.41 0.15 -1.26 -4.87 113.70 120.97 2k3a s SER 93 Ca 0.00 0.27 0.08 0.00 0.70 0.00 0.00 55.95 56.99 2k3a s SER 93 Cb 0.00 -2.53 0.41 0.00 -1.71 0.00 0.00 66.02 62.19 2k3a s SER 93 CO 0.00 -1.30 1.27 -0.81 1.20 0.00 0.00 173.24 173.61 2k3a n PRO 94 N 7.92 1.12 -1.59 5.44 -0.04 -1.26 -4.69 135.00 141.89 2k3a n PRO 94 Ca 0.10 -0.18 -0.42 0.00 -0.04 0.00 0.00 63.50 62.95 2k3a n PRO 94 Cb 0.49 -1.14 0.01 0.00 -0.04 0.00 0.00 33.50 32.82 2k3a n PRO 94 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2k3a n GLU 95 N -0.44 1.29 -1.40 0.54 2.13 -1.26 -4.85 120.64 116.64 2k3a n GLU 95 Ca 0.06 0.46 -0.36 0.00 0.66 0.00 0.00 57.16 57.98 2k3a n GLU 95 Cb 0.07 -1.95 0.08 0.00 0.27 0.00 0.00 31.44 29.91 2k3a n GLU 95 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2k3a n ALA 96 N -0.36 -0.12 -2.06 4.31 0.00 -1.26 -3.92 120.51 117.10 2k3a n ALA 96 Ca 0.10 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.37 2k3a n ALA 96 Cb 0.38 -2.13 0.00 0.00 0.00 0.00 0.00 19.45 17.70 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 1.09 0.87 3.41 0.00 0.00 -0.49 -5.04 105.19 105.02 2k3a n GLY 97 Ca 0.13 -0.64 -0.16 0.00 0.00 0.00 0.00 46.02 45.35 2k3a n GLY 97 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2k3a s SER 98 N -2.87 1.16 -0.15 1.61 1.04 -1.25 -4.82 113.70 108.43 2k3a s SER 98 Ca 0.00 -1.58 0.00 0.00 0.48 0.00 0.00 55.95 54.85 2k3a s SER 98 Cb 0.00 0.61 0.02 0.00 0.10 0.00 0.00 66.02 66.76 2k3a s SER 98 CO 0.00 -1.20 -0.14 -0.63 0.98 0.00 0.00 173.24 172.25 2k3a s ILE 99 N -3.24 1.56 -0.11 -1.02 1.01 -0.94 -0.37 121.20 118.08 2k3a s ILE 99 Ca 0.34 -0.63 -0.24 0.00 0.00 0.00 0.00 60.65 60.13 2k3a s ILE 99 Cb 0.01 -1.47 -0.03 0.00 0.01 0.00 0.00 42.46 40.98 2k3a s ILE 99 CO 0.23 0.46 0.76 -1.48 0.00 0.00 0.00 174.94 174.91 2k3a s LEU 100 N 1.49 4.25 -0.36 2.97 2.34 -0.94 -0.15 118.68 128.28 2k3a s LEU 100 Ca 0.05 1.18 -0.10 0.00 0.06 0.00 0.00 54.13 55.32 2k3a s LEU 100 Cb -0.13 -3.15 0.02 0.00 -0.56 0.00 0.00 46.19 42.37 2k3a s LEU 100 CO -0.11 -0.25 0.18 -1.58 -1.06 0.00 0.00 176.35 173.53 2k3a s GLN 101 N 1.45 2.89 0.02 1.48 -0.44 0.95 -3.42 119.66 122.58 2k3a s GLN 101 Ca 0.38 -1.03 -0.26 0.00 -2.50 0.00 0.00 55.36 51.95 2k3a s GLN 101 Cb -0.17 -3.65 -0.16 0.00 -1.64 0.00 0.00 33.01 27.38 2k3a s GLN 101 CO 0.16 -0.64 1.24 1.03 0.50 0.00 0.00 175.29 177.58 2k3a h SER 102 N 8.38 -0.48 0.00 6.67 0.87 -1.51 -1.89 113.55 125.60 2k3a h SER 102 Ca -0.27 -0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.19 2k3a h SER 102 Cb 1.11 0.12 0.00 0.00 -0.44 0.00 0.00 62.40 63.19 2k3a h SER 102 CO 0.65 -0.13 0.00 0.35 -0.53 0.00 0.00 176.83 177.17 2k3a n THR 103 N -5.22 0.00 -1.88 2.23 -2.24 -1.26 -4.80 114.28 101.11 2k3a n THR 103 Ca -0.10 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.25 2k3a n THR 103 Cb 0.29 -0.43 -0.03 0.00 -2.10 0.00 0.00 70.33 68.06 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 -0.98 3.27 0.00 6.98 0.00 -1.26 -3.42 121.76 126.35 2k3a s ALA 104 Ca 0.00 0.80 0.00 0.00 0.00 0.00 0.00 51.96 52.76 2k3a s ALA 104 Cb 0.00 -3.89 0.00 0.00 0.00 0.00 0.00 23.12 19.23 2k3a s ALA 104 CO 0.00 -1.98 0.00 0.41 0.00 0.00 0.00 175.76 174.19 2k3a n GLY 105 N 4.81 1.43 0.00 0.00 0.00 -1.26 -4.01 105.19 106.16 2k3a n GLY 105 Ca 0.21 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 0.00 2.89 3.57 -0.02 0.00 -1.22 -5.06 105.19 105.35 2k3a n GLY 106 Ca 0.00 -0.38 -0.20 0.00 0.00 0.00 0.00 46.02 45.44 2k3a n GLY 106 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2k3a s TYR 107 N 0.00 1.49 -0.30 1.61 2.02 -1.26 -4.83 117.35 116.09 2k3a s TYR 107 Ca 0.00 1.43 -0.36 0.00 -0.37 0.00 0.00 57.07 57.77 2k3a s TYR 107 Cb 0.00 -3.67 -0.12 0.00 -0.40 0.00 0.00 41.96 37.77 2k3a s TYR 107 CO 0.00 -1.29 2.06 0.41 -1.57 0.00 0.00 175.55 175.16 2k3a n GLY 108 N 6.43 0.71 3.56 0.71 0.00 -1.26 -4.73 105.19 110.61 2k3a n GLY 108 Ca 0.43 0.92 -0.32 0.00 0.00 0.00 0.00 46.02 47.05 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 6.13 2.83 0.02 1.61 2.46 -1.26 -4.31 115.29 122.77 2k3a s HIS 109 Ca 1.05 -0.07 -0.02 0.00 0.47 0.00 0.00 55.06 56.49 2k3a s HIS 109 Cb -0.87 -1.60 -0.02 0.00 -0.13 0.00 0.00 32.58 29.96 2k3a s HIS 109 CO 0.53 0.33 0.01 0.14 -2.47 0.00 0.00 174.74 173.28 2k3a s VAL 110 N -0.93 0.11 0.25 0.89 -7.23 -1.26 -1.30 120.40 110.93 2k3a s VAL 110 Ca 0.15 -0.93 -0.18 0.00 -1.81 0.00 0.00 61.98 59.22 2k3a s VAL 110 Cb -0.11 -0.41 0.01 0.00 0.56 0.00 0.00 36.38 36.44 2k3a s VAL 110 CO 0.06 -0.51 0.60 0.00 -0.31 0.00 0.00 175.10 174.94 2k3a s ALA 111 N -1.66 -0.84 -0.20 1.32 0.00 -1.22 -4.82 121.76 114.35 2k3a s ALA 111 Ca -0.14 -0.48 -0.10 0.00 0.00 0.00 0.00 51.96 51.25 2k3a s ALA 111 Cb -0.08 0.93 -0.05 0.00 0.00 0.00 0.00 23.12 23.92 2k3a s ALA 111 CO -0.01 -0.93 0.12 -0.47 0.00 0.00 0.00 175.76 174.47 2k3a s TYR 112 N -3.94 3.38 -0.38 0.00 5.04 -1.23 -2.21 117.35 118.02 2k3a s TYR 112 Ca 0.15 0.29 -0.29 0.00 -2.44 0.00 0.00 57.07 54.78 2k3a s TYR 112 Cb -0.03 -2.16 0.01 0.00 0.35 0.00 0.00 41.96 40.13 2k3a s TYR 112 CO 0.06 0.25 1.25 0.08 -1.34 0.00 0.00 175.55 175.85 2k3a s VAL 113 N 0.42 4.15 -0.16 3.14 1.01 0.50 -0.36 120.40 129.11 2k3a s VAL 113 Ca 0.07 1.25 -0.17 0.00 0.00 0.00 0.00 61.98 63.13 2k3a s VAL 113 Cb -0.11 -4.33 -0.14 0.00 0.00 0.00 0.00 36.38 31.80 2k3a s VAL 113 CO -0.01 -0.69 0.25 -0.33 0.00 0.00 0.00 175.10 174.32 2k3a h GLU 114 N 9.45 0.00 -3.68 2.72 4.39 -1.56 -1.30 114.58 124.60 2k3a h GLU 114 Ca -0.25 0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.30 2k3a h GLU 114 Cb 1.08 0.00 -0.20 0.00 -0.10 0.00 0.00 28.75 29.53 2k3a h GLU 114 CO 1.07 0.61 -0.56 1.21 -1.16 0.00 0.00 179.01 180.18 2k3a s ASN 115 N -6.20 0.11 -0.06 1.42 2.47 -1.09 -4.65 114.94 106.95 2k3a s ASN 115 Ca -0.18 -0.33 0.03 0.00 0.42 0.00 0.00 52.86 52.80 2k3a s ASN 115 Cb 0.01 0.17 0.01 0.00 -1.45 0.00 0.00 41.25 40.00 2k3a s ASN 115 CO 0.43 -0.36 -0.13 -0.69 -3.72 0.00 0.00 177.10 172.62 2k3a s VAL 116 N -1.52 1.20 0.26 -5.21 1.01 -1.26 -0.66 120.40 114.21 2k3a s VAL 116 Ca -0.14 -0.54 -0.01 0.00 0.00 0.00 0.00 61.98 61.29 2k3a s VAL 116 Cb -0.08 -1.07 -0.04 0.00 0.00 0.00 0.00 36.38 35.19 2k3a s VAL 116 CO 0.00 0.36 0.46 0.20 0.00 0.00 0.00 175.10 176.12 2k3a s ASN 117 N 0.44 6.37 0.51 3.32 0.01 0.04 -4.98 114.94 120.65 2k3a s ASN 117 Ca -0.11 0.45 0.34 0.00 -0.71 0.00 0.00 52.86 52.84 2k3a s ASN 117 Cb -0.14 -2.03 1.68 0.00 0.41 0.00 0.00 41.25 41.17 2k3a s ASN 117 CO 0.03 -0.14 2.04 0.77 -1.51 0.00 0.00 177.10 178.29 2k3a h SER 118 N 1.57 0.00 0.46 -1.22 4.64 -2.02 0.21 113.55 117.20 2k3a h SER 118 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 2k3a h SER 118 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 2k3a h SER 118 CO 0.65 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 177.08 2k3a n ASP 119 N -2.82 0.00 0.00 4.97 8.00 -1.26 -4.85 116.55 120.59 2k3a n ASP 119 Ca -0.01 0.48 0.00 0.00 0.71 0.00 0.00 54.79 55.97 2k3a n ASP 119 Cb 0.16 -0.49 0.00 0.00 -0.02 0.00 0.00 41.12 40.77 2k3a n ASP 119 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2k3a n GLY 120 N -0.08 0.66 3.66 0.44 0.00 0.73 -4.53 105.19 106.08 2k3a n GLY 120 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.99 6.71 -0.26 1.61 0.01 -1.21 -3.40 113.70 114.16 2k3a s SER 121 Ca 0.00 2.19 -0.08 0.00 1.31 0.00 0.00 55.95 59.37 2k3a s SER 121 Cb 0.00 -2.54 -0.03 0.00 0.21 0.00 0.00 66.02 63.67 2k3a s SER 121 CO 0.00 -0.89 0.10 -0.69 0.41 0.00 0.00 173.24 172.17 2k3a s VAL 122 N 3.77 4.46 -0.46 3.43 1.01 0.20 -0.78 120.40 132.03 2k3a s VAL 122 Ca 0.71 -0.18 -0.16 0.00 0.00 0.00 0.00 61.98 62.34 2k3a s VAL 122 Cb -0.32 -3.13 0.05 0.00 0.00 0.00 0.00 36.38 32.98 2k3a s VAL 122 CO 0.28 0.28 0.42 -1.61 0.00 0.00 0.00 175.10 174.47 2k3a s GLU 123 N 1.63 3.02 -0.03 2.72 2.02 0.17 -0.81 118.70 127.42 2k3a s GLU 123 Ca 0.06 -1.11 -0.02 0.00 0.02 0.00 0.00 54.97 53.92 2k3a s GLU 123 Cb -0.16 -4.07 -0.04 0.00 0.10 0.00 0.00 34.13 29.97 2k3a s GLU 123 CO 0.05 -0.97 0.11 0.14 0.02 0.00 0.00 175.26 174.62 2k3a s VAL 124 N 1.89 5.03 -0.39 2.63 -7.23 -0.65 -1.38 120.40 120.30 2k3a s VAL 124 Ca 0.07 -0.23 -0.21 0.00 -1.81 0.00 0.00 61.98 59.81 2k3a s VAL 124 Cb -0.21 -3.29 0.01 0.00 0.56 0.00 0.00 36.38 33.45 2k3a s VAL 124 CO 0.09 0.40 0.65 -0.55 -0.31 0.00 0.00 175.10 175.38 2k3a s SER 125 N -1.63 6.39 0.17 4.85 0.15 0.52 -0.70 113.70 123.44 2k3a s SER 125 Ca 0.22 -0.03 0.01 0.00 0.70 0.00 0.00 55.95 56.85 2k3a s SER 125 Cb -0.12 -2.33 0.01 0.00 -1.71 0.00 0.00 66.02 61.87 2k3a s SER 125 CO 0.13 -0.68 0.05 -0.62 1.20 0.00 0.00 173.24 173.32 2k3a n GLU 126 N 6.17 1.47 -4.00 5.44 1.02 0.66 -3.48 120.64 127.92 2k3a n GLU 126 Ca -0.01 -1.16 -0.22 0.00 -0.02 0.00 0.00 57.16 55.75 2k3a n GLU 126 Cb 0.48 0.25 -0.17 0.00 -0.02 0.00 0.00 31.44 31.98 2k3a n GLU 126 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2k3a s MET 127 N -2.63 0.88 -0.14 3.49 0.23 -1.26 -0.43 119.30 119.43 2k3a s MET 127 Ca 0.04 -0.06 -0.02 0.00 -1.03 0.00 0.00 55.69 54.62 2k3a s MET 127 Cb -0.00 -1.01 0.02 0.00 -1.53 0.00 0.00 34.83 32.31 2k3a s MET 127 CO 0.02 -0.18 2.36 0.27 -2.03 0.00 0.00 175.02 175.46 2k3a n ASN 128 N 4.57 5.77 -0.18 -1.18 0.23 0.13 -4.57 115.26 120.04 2k3a n ASN 128 Ca -0.16 -2.69 0.19 0.00 -0.53 0.00 0.00 54.58 51.38 2k3a n ASN 128 Cb 0.50 -1.17 0.55 0.00 -2.08 0.00 0.00 39.78 37.59 2k3a n ASN 128 CO 0.00 0.00 0.00 0.22 -0.93 0.00 0.00 177.26 176.55 2k3a h TYR 129 N 1.67 0.40 0.00 -2.53 3.20 -1.76 0.47 116.97 118.43 2k3a h TYR 129 Ca 0.16 0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.99 2k3a h TYR 129 Cb 1.03 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 39.17 2k3a h TYR 129 CO 0.78 0.13 -0.25 -2.95 -1.64 0.00 0.00 178.16 174.23 2k3a h ASN 130 N 0.32 0.00 0.00 -2.11 -1.07 -1.97 -3.36 115.58 107.39 2k3a h ASN 130 Ca 0.40 0.00 -0.08 0.00 0.07 0.00 0.00 56.30 56.70 2k3a h ASN 130 Cb 1.08 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 37.32 2k3a h ASN 130 CO -0.12 0.25 -1.13 0.61 0.07 0.00 0.00 177.43 177.11 2k3a n GLY 131 N -0.48 -0.45 3.74 9.14 0.00 0.90 -5.07 105.19 112.97 2k3a n GLY 131 Ca -0.02 -0.25 -0.27 0.00 0.00 0.00 0.00 46.02 45.49 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 -4.90 2.48 -0.66 -0.02 0.00 0.13 -5.06 107.32 99.30 2k3a s GLY 132 Ca -0.26 -1.76 -0.26 0.00 0.00 0.00 0.00 44.72 42.44 2k3a s GLY 132 CO 0.37 -2.00 2.08 -4.14 0.00 0.00 0.00 173.10 169.42 2k3a s PRO 133 N -3.92 2.36 -0.34 2.90 0.02 -1.26 -3.72 135.00 131.04 2k3a s PRO 133 Ca 0.33 0.62 0.00 0.00 0.02 0.00 0.00 61.00 61.98 2k3a s PRO 133 Cb 0.04 -4.61 0.00 0.00 0.02 0.00 0.00 34.50 29.94 2k3a s PRO 133 CO 0.18 -3.20 0.00 1.97 -0.33 0.00 0.00 177.00 175.63 2k3a n PHE 134 N 14.48 -1.28 -2.30 6.54 1.16 -1.26 -4.86 117.46 129.95 2k3a n PHE 134 Ca 0.31 0.00 -0.42 0.00 -1.87 0.00 0.00 57.45 55.47 2k3a n PHE 134 Cb 0.51 -1.46 -0.03 0.00 -1.61 0.00 0.00 39.48 36.89 2k3a n PHE 134 CO 0.00 0.00 0.00 0.45 -1.87 0.00 0.00 176.76 175.34 2k3a s SER 135 N -1.62 6.96 -0.21 5.98 0.15 -1.26 -4.84 113.70 118.87 2k3a s SER 135 Ca 0.00 2.18 -0.15 0.00 0.70 0.00 0.00 55.95 58.69 2k3a s SER 135 Cb 0.00 -2.59 -0.04 0.00 -1.71 0.00 0.00 66.02 61.68 2k3a s SER 135 CO 0.00 -0.55 0.35 -0.69 1.20 0.00 0.00 173.24 173.55 2k3a s VAL 136 N 0.97 5.23 0.16 4.45 1.01 -1.26 0.21 120.40 131.18 2k3a s VAL 136 Ca 0.61 0.61 -0.03 0.00 0.00 0.00 0.00 61.98 63.17 2k3a s VAL 136 Cb -0.33 -3.68 -0.03 0.00 0.00 0.00 0.00 36.38 32.33 2k3a s VAL 136 CO 0.30 0.27 0.14 -0.55 0.00 0.00 0.00 175.10 175.26 2k3a s SER 137 N 1.02 0.20 -0.13 3.32 0.15 0.43 -4.96 113.70 113.73 2k3a s SER 137 Ca 0.17 -1.20 -0.09 0.00 0.70 0.00 0.00 55.95 55.53 2k3a s SER 137 Cb -0.14 0.36 -0.04 0.00 -1.71 0.00 0.00 66.02 64.48 2k3a s SER 137 CO 0.07 -0.81 0.17 -1.61 1.20 0.00 0.00 173.24 172.26 2k3a s GLU 138 N -4.07 3.71 -0.18 5.44 0.41 -1.26 -0.24 118.70 122.51 2k3a s GLU 138 Ca 0.28 -0.09 -0.03 0.00 -0.41 0.00 0.00 54.97 54.72 2k3a s GLU 138 Cb 0.06 -3.26 -0.01 0.00 -1.78 0.00 0.00 34.13 29.14 2k3a s GLU 138 CO 0.05 0.63 -0.07 0.50 -0.49 0.00 0.00 175.26 175.88 2k3a s ARG 139 N -0.62 3.45 -0.53 1.61 3.52 0.13 -4.94 118.95 121.57 2k3a s ARG 139 Ca 0.14 -0.62 -0.21 0.00 -0.13 0.00 0.00 55.73 54.92 2k3a s ARG 139 Cb -0.12 -2.87 0.06 0.00 -1.56 0.00 0.00 34.95 30.45 2k3a s ARG 139 CO 0.03 0.03 0.74 0.99 -0.81 0.00 0.00 175.30 176.29 2k3a s THR 140 N 0.87 4.70 -0.09 4.11 2.01 -1.26 -1.63 115.64 124.34 2k3a s THR 140 Ca -0.02 -0.27 -0.09 0.00 0.31 0.00 0.00 61.69 61.62 2k3a s THR 140 Cb -0.15 -4.40 -0.04 0.00 0.01 0.00 0.00 72.50 67.92 2k3a s THR 140 CO 0.01 -0.94 0.21 -0.63 -0.69 0.00 0.00 174.62 172.58 2k3a s ILE 141 N 3.10 5.38 0.63 1.82 1.01 0.01 -4.93 121.20 128.22 2k3a s ILE 141 Ca 0.20 0.38 -0.15 0.00 0.00 0.00 0.00 60.65 61.08 2k3a s ILE 141 Cb -0.17 -3.49 -0.02 0.00 0.01 0.00 0.00 42.46 38.80 2k3a s ILE 141 CO 0.14 0.61 1.08 -0.44 0.00 0.00 0.00 174.94 176.33 2k3a s SER 142 N -1.03 5.45 0.16 3.58 0.01 -1.26 -0.63 113.70 119.98 2k3a s SER 142 Ca 0.17 1.88 -0.16 0.00 1.31 0.00 0.00 55.95 59.15 2k3a s SER 142 Cb -0.13 -2.54 0.10 0.00 0.21 0.00 0.00 66.02 63.66 2k3a s SER 142 CO 0.07 -1.39 1.72 0.00 0.41 0.00 0.00 173.24 174.04 2k3a h ALA 143 N 0.16 0.41 -0.91 1.44 0.00 -1.79 0.19 119.26 118.75 2k3a h ALA 143 Ca -0.47 0.08 0.06 0.00 0.00 0.00 0.00 54.91 54.59 2k3a h ALA 143 Cb 1.23 0.12 -0.06 0.00 0.00 0.00 0.00 17.79 19.07 2k3a h ALA 143 CO 0.56 -0.34 0.58 0.78 0.00 0.00 0.00 179.25 180.83 2k3a h GLY 144 N 0.19 1.38 0.68 0.00 0.00 -1.92 -0.18 103.07 103.21 2k3a h GLY 144 Ca 0.19 -0.42 -0.12 0.00 0.00 0.00 0.00 47.33 46.97 2k3a h GLY 144 CO -0.26 0.30 -0.47 -2.09 0.00 0.00 0.00 176.54 174.02 2k3a h GLU 145 N 1.06 0.34 -0.57 4.80 4.57 -1.84 -3.36 114.58 119.59 2k3a h GLU 145 Ca 0.39 -0.35 -0.07 0.00 -1.18 0.00 0.00 59.36 58.15 2k3a h GLU 145 Cb 0.15 0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 28.82 2k3a h GLU 145 CO -0.17 1.03 0.08 0.00 -1.18 0.00 0.00 179.01 178.77 2k3a h ALA 146 N 0.32 1.06 0.00 2.92 0.00 -0.36 -2.91 119.26 120.29 2k3a h ALA 146 Ca -0.06 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.60 2k3a h ALA 146 Cb 1.19 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.75 2k3a h ALA 146 CO 0.09 0.60 0.00 0.77 0.00 0.00 0.00 179.25 180.72 2k3a h SER 147 N 0.87 0.00 1.14 0.00 0.02 -1.17 -1.87 113.55 112.53 2k3a h SER 147 Ca 0.18 0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 60.96 2k3a h SER 147 Cb 0.41 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.92 2k3a h SER 147 CO 0.01 0.00 -0.82 -1.28 -1.14 0.00 0.00 176.83 173.61 2k3a h SER 148 N 0.00 0.00 -4.02 3.07 0.87 -1.69 -3.47 113.55 108.31 2k3a h SER 148 Ca 0.00 0.00 -0.48 0.00 -1.23 0.00 0.00 61.79 60.08 2k3a h SER 148 Cb 0.10 0.00 0.03 0.00 -0.44 0.00 0.00 62.40 62.09 2k3a h SER 148 CO 0.00 0.82 0.41 -0.31 -0.53 0.00 0.00 176.83 177.22 2k3a s TYR 149 N -2.84 3.08 -0.47 2.24 2.02 -0.71 -5.00 117.35 115.67 2k3a s TYR 149 Ca 0.02 1.60 -0.21 0.00 -0.37 0.00 0.00 57.07 58.11 2k3a s TYR 149 Cb 0.09 -3.14 0.04 0.00 -0.40 0.00 0.00 41.96 38.55 2k3a s TYR 149 CO 0.79 -0.87 0.67 -0.80 -1.57 0.00 0.00 175.55 173.77 2k3a s ASN 150 N -1.71 6.29 -0.27 2.29 0.01 -0.71 -4.51 114.94 116.33 2k3a s ASN 150 Ca 0.63 -0.52 -0.22 0.00 -0.71 0.00 0.00 52.86 52.04 2k3a s ASN 150 Cb -0.21 -2.32 -0.01 0.00 0.41 0.00 0.00 41.25 39.12 2k3a s ASN 150 CO 0.25 -0.86 0.70 -0.31 -1.51 0.00 0.00 177.10 175.37 2k3a s TYR 151 N 2.88 3.26 -0.02 2.20 1.51 0.02 -0.03 117.35 127.17 2k3a s TYR 151 Ca 0.21 0.85 -0.28 0.00 -1.01 0.00 0.00 57.07 56.84 2k3a s TYR 151 Cb -0.16 -2.98 -0.03 0.00 -0.11 0.00 0.00 41.96 38.69 2k3a s TYR 151 CO 0.17 -0.41 0.89 0.42 -1.11 0.00 0.00 175.55 175.50 2k3a s ILE 152 N 2.67 4.92 0.30 2.71 1.09 0.79 -1.40 121.20 132.28 2k3a s ILE 152 Ca 0.29 1.85 0.11 0.00 -1.10 0.00 0.00 60.65 61.80 2k3a s ILE 152 Cb -0.15 -4.23 -0.06 0.00 -1.06 0.00 0.00 42.46 36.97 2k3a s ILE 152 CO 0.09 0.20 -0.16 -1.00 -0.10 0.00 0.00 174.94 173.97 2k3a s HIS 153 N 0.90 2.30 -0.06 3.97 3.76 0.10 -2.22 115.29 124.05 2k3a s HIS 153 Ca 0.47 -0.41 -0.02 0.00 -0.15 0.00 0.00 55.06 54.95 2k3a s HIS 153 Cb -0.20 -1.13 -0.04 0.00 1.11 0.00 0.00 32.58 32.33 2k3a s HIS 153 CO 0.25 0.65 0.03 -0.51 -0.85 0.00 0.00 174.74 174.30 2k3a s LEU 154 N -3.54 3.71 0.00 0.89 1.43 -1.26 -2.05 118.68 117.86 2k3a s LEU 154 Ca 0.31 0.16 0.04 0.00 -1.03 0.00 0.00 54.13 53.60 2k3a s LEU 154 Cb -0.02 -1.95 0.03 0.00 0.03 0.00 0.00 46.19 44.28 2k3a s LEU 154 CO 0.15 0.35 0.62 -0.46 0.23 0.00 0.00 176.35 177.24