#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 3.53 -0.84 0.03 1.02 -1.26 -5.05 119.74 117.17 2k3a s LYS 2 Ca 0.00 -0.29 -0.21 0.00 0.02 0.00 0.00 55.97 55.49 2k3a s LYS 2 Cb 0.00 -2.91 0.09 0.00 -0.52 0.00 0.00 37.83 34.50 2k3a s LYS 2 CO 0.00 0.49 1.12 0.15 -0.92 0.00 0.00 175.35 176.19 2k3a s LYS 3 N -2.84 3.40 0.16 1.68 1.02 -1.26 -4.96 119.74 116.95 2k3a s LYS 3 Ca 0.38 -1.28 -0.19 0.00 0.02 0.00 0.00 55.97 54.91 2k3a s LYS 3 Cb -0.12 -4.70 0.04 0.00 -0.52 0.00 0.00 37.83 32.53 2k3a s LYS 3 CO 0.27 -1.86 0.51 -0.48 -0.92 0.00 0.00 175.35 172.86 2k3a s LEU 4 N 3.62 0.00 0.01 3.17 0.05 -1.26 -5.18 118.68 119.09 2k3a s LEU 4 Ca 0.31 -0.29 0.03 0.00 0.05 0.00 0.00 54.13 54.23 2k3a s LEU 4 Cb -0.09 2.18 -0.01 0.00 -2.05 0.00 0.00 46.19 46.22 2k3a s LEU 4 CO -0.02 -0.96 -0.11 -0.69 -0.55 0.00 0.00 176.35 174.02 2k3a s VAL 5 N -3.81 0.84 -0.55 1.48 1.01 -1.26 -5.11 120.40 112.99 2k3a s VAL 5 Ca 0.05 -0.59 -0.26 0.00 0.00 0.00 0.00 61.98 61.18 2k3a s VAL 5 Cb -0.00 -0.73 0.04 0.00 0.00 0.00 0.00 36.38 35.68 2k3a s VAL 5 CO -0.09 0.14 1.04 -0.89 0.00 0.00 0.00 175.10 175.30 2k3a s THR 6 N -0.44 4.25 0.45 3.92 2.01 -1.26 -5.03 115.64 119.55 2k3a s THR 6 Ca 0.02 0.58 -0.21 0.00 0.31 0.00 0.00 61.69 62.40 2k3a s THR 6 Cb -0.05 -4.60 -0.10 0.00 0.01 0.00 0.00 72.50 67.76 2k3a s THR 6 CO 0.00 -1.17 0.99 0.00 -0.69 0.00 0.00 174.62 173.75 2k3a s ALA 7 N 4.32 2.97 0.21 7.40 0.00 -1.26 -5.07 121.76 130.33 2k3a s ALA 7 Ca 0.36 0.48 -0.23 0.00 0.00 0.00 0.00 51.96 52.58 2k3a s ALA 7 Cb -0.10 -3.19 0.05 0.00 0.00 0.00 0.00 23.12 19.87 2k3a s ALA 7 CO 0.22 -0.06 0.77 -0.08 0.00 0.00 0.00 175.76 176.62 2k3a s THR 8 N -2.10 0.00 -0.16 0.00 -1.32 -1.26 -5.17 115.64 105.62 2k3a s THR 8 Ca 0.64 -0.66 -0.07 0.00 -1.21 0.00 0.00 61.69 60.39 2k3a s THR 8 Cb -0.12 -1.74 0.07 0.00 -1.51 0.00 0.00 72.50 69.19 2k3a s THR 8 CO 0.16 0.00 0.37 -0.89 -2.21 0.00 0.00 174.62 172.05 2k3a s THR 9 N -3.67 -0.24 -0.01 5.08 2.01 -1.26 -5.16 115.64 112.39 2k3a s THR 9 Ca 0.09 0.14 0.03 0.00 0.31 0.00 0.00 61.69 62.27 2k3a s THR 9 Cb -0.04 -0.57 -0.01 0.00 0.01 0.00 0.00 72.50 71.90 2k3a s THR 9 CO 0.01 0.06 -0.10 -1.48 -0.69 0.00 0.00 174.62 172.42 2k3a s LEU 10 N 1.82 2.02 -0.30 4.42 2.34 -1.26 -5.12 118.68 122.61 2k3a s LEU 10 Ca -0.06 -0.19 -0.02 0.00 0.06 0.00 0.00 54.13 53.92 2k3a s LEU 10 Cb -0.10 -0.53 0.19 0.00 -0.56 0.00 0.00 46.19 45.19 2k3a s LEU 10 CO -0.12 0.13 0.74 0.28 -1.06 0.00 0.00 176.35 176.32 2k3a s THR 11 N -0.24 -0.77 -0.40 5.48 -1.32 -1.26 -5.14 115.64 111.99 2k3a s THR 11 Ca 0.04 0.00 -0.21 0.00 -1.21 0.00 0.00 61.69 60.31 2k3a s THR 11 Cb -0.04 -0.88 0.01 0.00 -1.51 0.00 0.00 72.50 70.09 2k3a s THR 11 CO -0.00 0.00 0.69 0.00 -2.21 0.00 0.00 174.62 173.09 2k3a s ALA 12 N 2.88 3.39 -0.29 11.08 0.00 -1.26 -5.04 121.76 132.53 2k3a s ALA 12 Ca 0.15 -0.94 -0.08 0.00 0.00 0.00 0.00 51.96 51.08 2k3a s ALA 12 Cb -0.10 -3.29 -0.01 0.00 0.00 0.00 0.00 23.12 19.72 2k3a s ALA 12 CO -0.22 -1.59 0.11 0.20 0.00 0.00 0.00 175.76 174.27 2k3a s GLY 13 N 1.92 1.82 0.00 0.00 0.00 -1.26 -5.10 107.32 104.70 2k3a s GLY 13 Ca 0.26 -1.31 0.03 0.00 0.00 0.00 0.00 44.72 43.69 2k3a s GLY 13 CO 0.18 0.64 -0.05 -1.50 0.00 0.00 0.00 173.10 172.36 2k3a s ILE 14 N 1.59 3.77 -0.01 0.90 2.07 -1.26 -5.13 121.20 123.13 2k3a s ILE 14 Ca 0.05 -0.73 0.06 0.00 -1.41 0.00 0.00 60.65 58.62 2k3a s ILE 14 Cb -0.16 -2.64 -0.02 0.00 0.13 0.00 0.00 42.46 39.77 2k3a s ILE 14 CO 0.05 0.40 -0.19 -0.83 -1.91 0.00 0.00 174.94 172.45 2k3a s GLY 15 N -1.43 0.95 -0.13 1.50 0.00 -1.26 -5.14 107.32 101.82 2k3a s GLY 15 Ca 0.17 -0.85 -0.09 0.00 0.00 0.00 0.00 44.72 43.95 2k3a s GLY 15 CO 0.08 -0.72 0.18 0.00 0.00 0.00 0.00 173.10 172.63 2k3a s ALA 16 N -0.49 3.80 -0.38 3.20 0.00 -1.26 -5.08 121.76 121.55 2k3a s ALA 16 Ca 0.07 -0.59 -0.22 0.00 0.00 0.00 0.00 51.96 51.22 2k3a s ALA 16 Cb -0.08 -2.09 0.01 0.00 0.00 0.00 0.00 23.12 20.97 2k3a s ALA 16 CO -0.00 0.46 0.71 0.00 0.00 0.00 0.00 175.76 176.93 2k3a s ALA 17 N -0.61 3.42 -0.02 0.00 0.00 -1.26 -5.06 121.76 118.23 2k3a s ALA 17 Ca 0.14 -0.82 -0.09 0.00 0.00 0.00 0.00 51.96 51.19 2k3a s ALA 17 Cb -0.12 -3.28 -0.05 0.00 0.00 0.00 0.00 23.12 19.66 2k3a s ALA 17 CO 0.04 -1.49 0.30 0.42 0.00 0.00 0.00 175.76 175.02 2k3a s ILE 18 N 2.92 5.24 0.15 0.00 1.01 -1.26 -5.11 121.20 124.16 2k3a s ILE 18 Ca 0.27 0.41 0.06 0.00 0.00 0.00 0.00 60.65 61.40 2k3a s ILE 18 Cb -0.14 -3.58 -0.04 0.00 0.01 0.00 0.00 42.46 38.71 2k3a s ILE 18 CO 0.17 0.48 0.03 0.54 0.00 0.00 0.00 174.94 176.16 2k3a s VAL 19 N -1.18 3.98 -0.22 2.92 0.11 -1.26 -5.13 120.40 119.61 2k3a s VAL 19 Ca 0.24 -1.24 -0.06 0.00 -2.93 0.00 0.00 61.98 57.99 2k3a s VAL 19 Cb -0.14 -2.98 0.11 0.00 -1.53 0.00 0.00 36.38 31.83 2k3a s VAL 19 CO 0.13 -0.06 0.45 -0.83 -3.33 0.00 0.00 175.10 171.45 2k3a s GLY 20 N -2.84 -0.44 -0.07 6.54 0.00 -1.26 -5.15 107.32 104.11 2k3a s GLY 20 Ca 0.28 1.52 -0.06 0.00 0.00 0.00 0.00 44.72 46.46 2k3a s GLY 20 CO 0.20 2.57 0.17 -2.27 0.00 0.00 0.00 173.10 173.76 2k3a s LEU 21 N 2.65 1.26 0.27 0.66 0.20 -1.26 -5.18 118.68 117.28 2k3a s LEU 21 Ca 0.01 0.34 0.10 0.00 0.69 0.00 0.00 54.13 55.28 2k3a s LEU 21 Cb -0.13 0.56 -0.05 0.00 -0.43 0.00 0.00 46.19 46.14 2k3a s LEU 21 CO -0.14 -0.07 -0.16 -1.81 -0.29 0.00 0.00 176.35 173.88 2k3a s ASP 22 N 0.24 3.33 -0.30 3.68 1.01 -1.26 -5.12 116.67 118.26 2k3a s ASP 22 Ca -0.01 -1.07 0.02 0.00 0.71 0.00 0.00 52.55 52.20 2k3a s ASP 22 Cb -0.03 -0.26 0.20 0.00 1.01 0.00 0.00 42.92 43.84 2k3a s ASP 22 CO -0.01 -0.07 0.70 -2.28 0.21 0.00 0.00 175.17 173.72 2k3a s HIS 23 N -2.66 -1.52 0.99 4.23 2.46 -1.26 -5.18 115.29 112.35 2k3a s HIS 23 Ca 0.29 0.86 -0.14 0.00 0.47 0.00 0.00 55.06 56.54 2k3a s HIS 23 Cb -0.02 0.26 0.18 0.00 -0.13 0.00 0.00 32.58 32.87 2k3a s HIS 23 CO 0.13 -0.89 1.16 0.20 -2.47 0.00 0.00 174.74 172.87 2k3a s GLY 24 N 2.82 1.61 -0.38 1.59 0.00 -1.26 -4.98 107.32 106.72 2k3a s GLY 24 Ca 0.15 -0.72 -0.29 0.00 0.00 0.00 0.00 44.72 43.86 2k3a s GLY 24 CO -0.25 -0.05 1.22 0.54 0.00 0.00 0.00 173.10 174.56 2k3a s ASN 25 N -4.11 6.65 0.25 1.64 4.22 -1.26 -5.01 114.94 117.33 2k3a s ASN 25 Ca 0.67 0.86 -0.23 0.00 -2.14 0.00 0.00 52.86 52.02 2k3a s ASN 25 Cb -0.12 -2.54 -0.09 0.00 1.28 0.00 0.00 41.25 39.78 2k3a s ASN 25 CO 0.54 -1.16 0.82 -1.61 -2.04 0.00 0.00 177.10 173.65 2k3a s GLU 26 N 4.30 4.46 0.74 3.55 2.02 -1.26 -5.09 118.70 127.42 2k3a s GLU 26 Ca 0.52 1.12 -0.01 0.00 0.02 0.00 0.00 54.97 56.62 2k3a s GLU 26 Cb -0.12 -2.94 0.14 0.00 0.10 0.00 0.00 34.13 31.31 2k3a s GLU 26 CO 0.26 0.39 1.02 0.00 0.02 0.00 0.00 175.26 176.95 2k3a s ALA 27 N -1.47 3.70 -0.01 5.21 0.00 -1.26 -5.14 121.76 122.79 2k3a s ALA 27 Ca 0.44 -1.80 -0.01 0.00 0.00 0.00 0.00 51.96 50.59 2k3a s ALA 27 Cb -0.19 -1.98 0.00 0.00 0.00 0.00 0.00 23.12 20.95 2k3a s ALA 27 CO 0.23 -1.54 0.04 0.34 0.00 0.00 0.00 175.76 174.83 2k3a s ASP 28 N -4.78 -0.04 -0.45 0.00 2.15 -1.26 -5.12 116.67 107.18 2k3a s ASP 28 Ca 0.67 0.07 -0.25 0.00 0.43 0.00 0.00 52.55 53.47 2k3a s ASP 28 Cb -0.05 0.08 0.03 0.00 -0.30 0.00 0.00 42.92 42.68 2k3a s ASP 28 CO 0.45 -0.02 0.92 0.00 -0.17 0.00 0.00 175.17 176.35 2k3a s ALA 29 N 0.01 3.25 -1.01 3.66 0.00 -1.26 -4.99 121.76 121.41 2k3a s ALA 29 Ca -0.00 -0.78 -0.22 0.00 0.00 0.00 0.00 51.96 50.96 2k3a s ALA 29 Cb -0.00 -3.63 0.07 0.00 0.00 0.00 0.00 23.12 19.56 2k3a s ALA 29 CO 0.00 -2.02 1.40 0.00 0.00 0.00 0.00 175.76 175.14 2k3a s ALA 30 N 3.72 2.85 -0.02 0.00 0.00 -1.26 -4.98 121.76 122.07 2k3a s ALA 30 Ca 0.37 -2.38 -0.30 0.00 0.00 0.00 0.00 51.96 49.65 2k3a s ALA 30 Cb -0.10 -4.44 -0.04 0.00 0.00 0.00 0.00 23.12 18.54 2k3a s ALA 30 CO 0.26 -3.49 1.12 -2.00 0.00 0.00 0.00 175.76 171.65 2k3a s GLU 31 N 4.52 4.43 -0.53 0.00 2.12 -1.26 -4.94 118.70 123.04 2k3a s GLU 31 Ca 0.44 1.60 -0.29 0.00 0.36 0.00 0.00 54.97 57.07 2k3a s GLU 31 Cb -0.01 -3.47 -0.11 0.00 0.26 0.00 0.00 34.13 30.80 2k3a s GLU 31 CO -0.09 -0.28 2.40 0.00 -0.54 0.00 0.00 175.26 176.74 2k3a n GLN 32 N 4.52 0.94 -1.97 4.30 0.00 -1.26 -4.80 117.38 119.10 2k3a n GLN 32 Ca 0.09 0.12 -0.25 0.00 0.00 0.00 0.00 57.00 56.96 2k3a n GLN 32 Cb 0.48 -2.80 -0.06 0.00 0.00 0.00 0.00 30.24 27.86 2k3a n GLN 32 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.06 176.98 2k3a s THR 33 N 9.99 3.41 -0.01 -0.39 -1.32 -1.26 -4.91 115.64 121.14 2k3a s THR 33 Ca 1.09 -0.49 0.04 0.00 -1.21 0.00 0.00 61.69 61.12 2k3a s THR 33 Cb -0.58 -4.09 -0.01 0.00 -1.51 0.00 0.00 72.50 66.32 2k3a s THR 33 CO 0.37 -0.80 -0.14 -1.10 -2.21 0.00 0.00 174.62 170.74 2k3a s GLN 34 N 7.13 1.14 -0.40 7.08 -0.21 -1.26 -5.10 119.66 128.04 2k3a s GLN 34 Ca 0.73 -0.52 -0.27 0.00 0.02 0.00 0.00 55.36 55.31 2k3a s GLN 34 Cb -0.05 -1.11 -0.04 0.00 1.00 0.00 0.00 33.01 32.81 2k3a s GLN 34 CO 0.06 0.30 2.13 -1.25 -2.12 0.00 0.00 175.29 174.41 2k3a s PRO 35 N -0.38 2.73 -0.22 2.91 0.04 -1.26 -4.83 135.00 133.99 2k3a s PRO 35 Ca 0.05 1.44 -0.03 0.00 0.04 0.00 0.00 61.00 62.50 2k3a s PRO 35 Cb -0.06 -4.41 -0.19 0.00 0.04 0.00 0.00 34.50 29.88 2k3a s PRO 35 CO -0.00 -2.57 -0.05 0.25 0.04 0.00 0.00 177.00 174.67 2k3a n THR 36 N 7.67 1.58 -3.85 1.26 -2.24 -1.26 -4.96 114.28 112.48 2k3a n THR 36 Ca 0.29 -0.55 -0.37 0.00 -2.27 0.00 0.00 64.05 61.15 2k3a n THR 36 Cb 0.50 -1.59 -0.06 0.00 -2.10 0.00 0.00 70.33 67.08 2k3a n THR 36 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 2k3a s ASN 37 N -6.79 6.39 -0.09 3.42 0.01 -1.26 -5.01 114.94 111.61 2k3a s ASN 37 Ca -0.32 0.47 0.13 0.00 -0.71 0.00 0.00 52.86 52.43 2k3a s ASN 37 Cb 0.09 -2.08 -0.24 0.00 0.41 0.00 0.00 41.25 39.43 2k3a s ASN 37 CO 0.64 0.38 0.47 0.00 -1.51 0.00 0.00 177.10 177.08 2k3a n GLN 38 N 2.12 0.65 -0.13 -0.60 6.02 -1.26 -4.41 117.38 119.77 2k3a n GLN 38 Ca -0.19 0.21 0.00 0.00 -0.01 0.00 0.00 57.00 57.01 2k3a n GLN 38 Cb 0.55 -1.71 0.00 0.00 1.02 0.00 0.00 30.24 30.10 2k3a n GLN 38 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 2k3a n SER 39 N -2.99 2.87 -4.49 1.08 7.64 -1.26 -4.76 113.62 111.70 2k3a n SER 39 Ca -0.23 -1.70 -0.43 0.00 1.01 0.00 0.00 58.87 57.53 2k3a n SER 39 Cb 1.08 -0.54 -0.03 0.00 -1.01 0.00 0.00 64.21 63.72 2k3a n SER 39 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2k3a s THR 40 N 0.32 4.42 -0.11 0.44 -4.23 -1.26 -4.90 115.64 110.32 2k3a s THR 40 Ca 0.00 -1.31 0.01 0.00 -1.18 0.00 0.00 61.69 59.22 2k3a s THR 40 Cb 0.00 -4.90 -0.01 0.00 1.34 0.00 0.00 72.50 68.93 2k3a s THR 40 CO 0.00 -1.68 -0.16 0.42 -0.54 0.00 0.00 174.62 172.66 2k3a s THR 41 N 3.54 2.82 -0.53 3.99 -4.23 -1.26 -5.07 115.64 114.90 2k3a s THR 41 Ca 0.38 -0.75 -0.27 0.00 -1.18 0.00 0.00 61.69 59.87 2k3a s THR 41 Cb -0.03 -2.16 -0.02 0.00 1.34 0.00 0.00 72.50 71.64 2k3a s THR 41 CO -0.09 0.54 1.79 -1.58 -0.54 0.00 0.00 174.62 174.74 2k3a s GLN 42 N 0.22 2.88 -1.23 3.99 0.74 -1.26 -4.90 119.66 120.10 2k3a s GLN 42 Ca -0.10 0.80 -0.19 0.00 0.05 0.00 0.00 55.36 55.93 2k3a s GLN 42 Cb -0.16 -4.31 -0.01 0.00 1.10 0.00 0.00 33.01 29.64 2k3a s GLN 42 CO 0.06 -2.42 1.93 0.43 -0.55 0.00 0.00 175.29 174.74 2k3a n SER 43 N 11.79 3.89 -4.58 6.67 7.64 -1.26 -4.90 113.62 132.87 2k3a n SER 43 Ca 0.20 -2.81 -0.23 0.00 1.01 0.00 0.00 58.87 57.04 2k3a n SER 43 Cb 0.50 -1.62 -0.08 0.00 -1.01 0.00 0.00 64.21 62.00 2k3a n SER 43 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2k3a s THR 44 N 5.53 3.35 0.00 0.44 -1.32 -1.26 -2.88 115.64 119.50 2k3a s THR 44 Ca 0.56 -0.57 0.00 0.00 -1.21 0.00 0.00 61.69 60.47 2k3a s THR 44 Cb 0.07 -4.30 0.00 0.00 -1.51 0.00 0.00 72.50 66.76 2k3a s THR 44 CO 0.05 -0.64 0.00 -0.24 -2.21 0.00 0.00 174.62 171.58 2k3a n SER 45 N 16.33 0.00 -0.13 8.08 2.88 -1.26 -5.17 113.62 134.35 2k3a n SER 45 Ca 0.43 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.97 2k3a n SER 45 Cb 0.47 0.08 0.00 0.00 -0.75 0.00 0.00 64.21 64.01 2k3a n SER 45 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2k3a n GLY 46 N -1.02 -0.56 3.83 0.46 0.00 -1.14 -4.85 105.19 101.91 2k3a n GLY 46 Ca 0.00 -1.10 -0.31 0.00 0.00 0.00 0.00 46.02 44.61 2k3a n GLY 46 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2k3a s SER 47 N -4.00 5.84 0.00 1.61 0.15 -1.26 -5.01 113.70 111.03 2k3a s SER 47 Ca 0.00 0.10 0.00 0.00 0.70 0.00 0.00 55.95 56.75 2k3a s SER 47 Cb 0.00 -1.67 0.00 0.00 -1.71 0.00 0.00 66.02 62.64 2k3a s SER 47 CO 0.00 0.18 0.27 -0.24 1.20 0.00 0.00 173.24 174.65 2k3a n SER 48 N 0.47 0.54 -3.42 5.45 2.88 -1.26 -5.07 113.62 113.20 2k3a n SER 48 Ca -0.08 -0.96 -0.10 0.00 -1.33 0.00 0.00 58.87 56.40 2k3a n SER 48 Cb 0.51 0.03 -0.02 0.00 -0.75 0.00 0.00 64.21 63.99 2k3a n SER 48 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2k3a s ALA 49 N -0.03 -0.30 -0.31 -1.46 0.00 -1.26 -5.14 121.76 113.27 2k3a s ALA 49 Ca 0.00 -0.92 -0.20 0.00 0.00 0.00 0.00 51.96 50.84 2k3a s ALA 49 Cb 0.00 0.92 -0.01 0.00 0.00 0.00 0.00 23.12 24.04 2k3a s ALA 49 CO 0.00 -0.91 0.64 1.21 0.00 0.00 0.00 175.76 176.70 2k3a s ASN 50 N -3.08 6.51 -0.10 0.00 3.84 -1.26 -4.85 114.94 115.99 2k3a s ASN 50 Ca 0.20 0.44 0.14 0.00 0.21 0.00 0.00 52.86 53.86 2k3a s ASN 50 Cb -0.03 -2.34 0.60 0.00 -0.55 0.00 0.00 41.25 38.94 2k3a s ASN 50 CO 0.12 -0.49 1.48 0.18 -2.79 0.00 0.00 177.10 175.60 2k3a n LEU 51 N 5.90 4.09 -4.90 3.21 7.99 -1.26 -4.93 117.00 127.11 2k3a n LEU 51 Ca -0.01 -2.07 -0.27 0.00 -0.01 0.00 0.00 56.01 53.66 2k3a n LEU 51 Cb 0.49 -0.54 -0.01 0.00 -0.11 0.00 0.00 43.42 43.25 2k3a n LEU 51 CO 0.46 0.67 0.04 -0.31 -1.51 0.00 0.00 177.39 176.74 2k3a s TYR 52 N -1.87 1.61 0.12 -1.77 2.02 -1.26 -4.87 117.35 111.33 2k3a s TYR 52 Ca 0.42 -0.86 0.09 0.00 -0.37 0.00 0.00 57.07 56.36 2k3a s TYR 52 Cb 0.28 -1.89 -0.04 0.00 -0.40 0.00 0.00 41.96 39.90 2k3a s TYR 52 CO 0.19 -0.46 -0.19 -0.08 -1.57 0.00 0.00 175.55 173.45 2k3a s THR 53 N -2.78 2.76 0.79 -0.71 -1.32 -1.26 -5.02 115.64 108.10 2k3a s THR 53 Ca 0.32 -1.55 -0.13 0.00 -1.21 0.00 0.00 61.69 59.13 2k3a s THR 53 Cb -0.02 -2.26 0.07 0.00 -1.51 0.00 0.00 72.50 68.78 2k3a s THR 53 CO 0.20 0.09 1.17 0.00 -2.21 0.00 0.00 174.62 173.87 2k3a s ALA 54 N -1.14 1.97 0.00 11.08 0.00 -1.26 -3.35 121.76 129.05 2k3a s ALA 54 Ca 0.17 0.69 0.00 0.00 0.00 0.00 0.00 51.96 52.82 2k3a s ALA 54 Cb -0.10 -3.43 0.00 0.00 0.00 0.00 0.00 23.12 19.59 2k3a s ALA 54 CO 0.10 -2.08 0.00 0.41 0.00 0.00 0.00 175.76 174.18 2k3a n GLY 55 N 0.05 2.19 3.80 0.00 0.00 -1.26 -5.00 105.19 104.97 2k3a n GLY 55 Ca 0.12 -0.08 -0.34 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 3.80 0.28 1.61 -1.52 -1.21 -4.87 119.66 117.74 2k3a s GLN 56 Ca 0.00 1.30 -0.00 0.00 -1.95 0.00 0.00 55.36 54.71 2k3a s GLN 56 Cb 0.00 -2.10 0.50 0.00 -0.22 0.00 0.00 33.01 31.19 2k3a s GLN 56 CO 0.00 -0.43 1.88 0.00 -0.25 0.00 0.00 175.29 176.49 2k3a h THR 58 N 1.07 0.89 0.03 0.00 1.35 -1.92 0.38 112.91 114.71 2k3a h THR 58 Ca 0.44 -0.25 -0.00 0.00 -0.55 0.00 0.00 66.41 66.05 2k3a h THR 58 Cb 0.29 0.10 0.00 0.00 -1.73 0.00 0.00 68.15 66.81 2k3a h THR 58 CO -0.19 0.13 -0.01 -0.25 -0.25 0.00 0.00 175.52 174.94 2k3a h TRP 59 N 0.72 -0.03 0.36 4.73 7.01 -1.48 -1.62 115.95 125.65 2k3a h TRP 59 Ca 0.38 -0.00 -0.01 0.00 2.11 0.00 0.00 58.89 61.37 2k3a h TRP 59 Cb 0.37 0.01 -0.00 0.00 -2.10 0.00 0.00 29.16 27.43 2k3a h TRP 59 CO -0.08 0.12 -0.21 -0.92 -2.79 0.00 0.00 178.44 174.56 2k3a h TYR 60 N -0.18 -0.55 -0.45 2.65 3.20 -0.99 -2.78 116.97 117.87 2k3a h TYR 60 Ca -0.00 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.86 2k3a h TYR 60 Cb 0.17 0.19 -0.02 0.00 1.54 0.00 0.00 36.73 38.61 2k3a h TYR 60 CO -0.03 -0.33 0.27 0.28 -1.64 0.00 0.00 178.16 176.71 2k3a h VAL 61 N -0.54 1.13 -0.40 1.81 2.07 -0.99 -1.61 116.25 117.72 2k3a h VAL 61 Ca -0.04 -0.29 0.06 0.00 0.82 0.00 0.00 66.70 67.25 2k3a h VAL 61 Cb 0.44 0.49 -0.05 0.00 -1.52 0.00 0.00 31.29 30.66 2k3a h VAL 61 CO 0.05 0.13 0.11 0.22 0.02 0.00 0.00 177.57 178.10 2k3a h TYR 62 N 0.62 0.18 -0.27 1.57 3.20 -1.03 0.81 116.97 122.05 2k3a h TYR 62 Ca 0.16 0.02 -0.15 0.00 3.14 0.00 0.00 58.73 61.90 2k3a h TYR 62 Cb -0.02 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.22 2k3a h TYR 62 CO 0.00 0.05 -0.45 0.22 -1.64 0.00 0.00 178.16 176.34 2k3a h ASP 63 N 0.25 0.76 -0.49 -2.11 3.58 -1.19 -0.48 116.42 116.74 2k3a h ASP 63 Ca 0.19 -0.37 -0.01 0.00 0.42 0.00 0.00 57.03 57.26 2k3a h ASP 63 Cb 0.21 -0.22 -0.03 0.00 1.72 0.00 0.00 39.33 41.02 2k3a h ASP 63 CO -0.23 1.10 0.27 0.11 -2.88 0.00 0.00 179.24 177.61 2k3a h LYS 64 N 0.57 0.71 -0.49 0.28 1.79 -0.77 -1.18 116.57 117.48 2k3a h LYS 64 Ca 0.04 -0.07 0.00 0.00 -2.18 0.00 0.00 60.65 58.43 2k3a h LYS 64 Cb 1.00 -0.14 0.00 0.00 -1.58 0.00 0.00 32.23 31.51 2k3a h LYS 64 CO 0.09 0.54 0.00 1.55 -1.08 0.00 0.00 179.45 180.55 2k3a n VAL 65 N -4.40 0.76 -1.44 0.50 3.14 0.23 -4.91 118.33 112.21 2k3a n VAL 65 Ca 0.04 -0.58 -0.15 0.00 -2.96 0.00 0.00 64.34 60.69 2k3a n VAL 65 Cb 0.11 0.11 -0.07 0.00 -1.06 0.00 0.00 33.84 32.93 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 0.94 1.50 2.47 7.55 0.00 -0.45 -1.96 105.19 115.26 2k3a n GLY 66 Ca 0.14 -0.12 -0.10 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.54 1.06 1.43 -0.02 0.00 -0.21 -4.88 105.19 102.03 2k3a n GLY 67 Ca -0.15 -0.27 -0.02 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.34 4.93 -2.43 1.61 3.02 -0.83 -4.82 115.26 116.40 2k3a n ASN 68 Ca -0.10 -2.39 -0.12 0.00 -0.03 0.00 0.00 54.58 51.94 2k3a n ASN 68 Cb 0.41 -0.99 -0.05 0.00 -0.61 0.00 0.00 39.78 38.55 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 1.16 0.00 -2.55 2.41 -5.35 -1.26 -5.01 119.36 108.76 2k3a n ILE 69 Ca 0.03 -1.56 -0.41 0.00 -0.27 0.00 0.00 62.75 60.55 2k3a n ILE 69 Cb 0.52 0.78 -0.03 0.00 -1.74 0.00 0.00 39.64 39.17 2k3a n ILE 69 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 2k3a s GLY 70 N -2.49 1.25 0.57 3.28 0.00 -1.26 -4.81 107.32 103.86 2k3a s GLY 70 Ca 0.26 -2.26 0.25 0.00 0.00 0.00 0.00 44.72 42.96 2k3a s GLY 70 CO 0.18 2.70 1.72 1.76 0.00 0.00 0.00 173.10 179.47 2k3a h SER 71 N 9.78 0.00 -0.43 1.64 0.02 -1.89 -1.63 113.55 121.04 2k3a h SER 71 Ca 0.20 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.15 2k3a h SER 71 Cb 1.01 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.55 2k3a h SER 71 CO 1.43 0.00 0.00 1.07 -1.14 0.00 0.00 176.83 178.19 2k3a n THR 72 N -2.64 1.87 -0.07 -2.27 5.66 -1.26 -4.01 114.28 111.57 2k3a n THR 72 Ca -0.02 -0.99 -0.07 0.00 -3.05 0.00 0.00 64.05 59.93 2k3a n THR 72 Cb 0.37 -0.27 0.11 0.00 -1.55 0.00 0.00 70.33 68.99 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 2.93 0.82 0.00 1.09 6.55 -1.69 -3.49 115.95 122.16 2k3a h TRP 73 Ca 0.00 -0.18 0.00 0.00 0.95 0.00 0.00 58.89 59.66 2k3a h TRP 73 Cb 1.49 -0.20 0.00 0.00 -0.86 0.00 0.00 29.16 29.59 2k3a h TRP 73 CO 0.75 0.88 0.00 0.41 -1.05 0.00 0.00 178.44 179.44 2k3a n GLY 74 N -0.26 0.75 3.74 1.49 0.00 -1.26 -4.59 105.19 105.06 2k3a n GLY 74 Ca 0.00 -1.22 -0.36 0.00 0.00 0.00 0.00 46.02 44.44 2k3a n GLY 74 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2k3a s ASN 75 N -4.00 4.79 0.48 1.61 0.01 -1.26 -4.88 114.94 111.69 2k3a s ASN 75 Ca 0.00 2.45 0.19 0.00 -0.71 0.00 0.00 52.86 54.79 2k3a s ASN 75 Cb 0.00 -2.60 1.22 0.00 0.41 0.00 0.00 41.25 40.28 2k3a s ASN 75 CO 0.00 -1.87 1.99 0.00 -1.51 0.00 0.00 177.10 175.71 2k3a h ALA 76 N 0.50 2.25 0.00 0.60 0.00 -1.80 -0.35 119.26 120.47 2k3a h ALA 76 Ca -0.50 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.39 2k3a h ALA 76 Cb 1.31 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.08 2k3a h ALA 76 CO 0.53 -0.39 -0.06 -2.95 0.00 0.00 0.00 179.25 176.39 2k3a h ASN 77 N 0.19 0.00 0.54 0.00 7.08 -1.60 -2.83 115.58 118.96 2k3a h ASN 77 Ca 0.25 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.47 2k3a h ASN 77 Cb 0.75 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.99 2k3a h ASN 77 CO -0.04 0.06 -0.88 -3.20 -2.08 0.00 0.00 177.43 171.29 2k3a n ASN 78 N -3.25 0.63 0.07 6.14 5.15 -0.14 -4.55 115.26 119.31 2k3a n ASN 78 Ca -0.01 -0.14 -0.08 0.00 -0.60 0.00 0.00 54.58 53.75 2k3a n ASN 78 Cb 0.26 0.59 -0.05 0.00 -0.53 0.00 0.00 39.78 40.05 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 -0.72 -0.51 1.20 4.06 -1.52 -0.33 115.95 118.14 2k3a h TRP 79 Ca 0.00 0.02 0.02 0.00 2.06 0.00 0.00 58.89 60.98 2k3a h TRP 79 Cb 0.71 0.30 -0.03 0.00 -1.00 0.00 0.00 29.16 29.14 2k3a h TRP 79 CO 0.00 -0.29 0.31 0.00 -3.56 0.00 0.00 178.44 174.90 2k3a h ALA 80 N -1.14 0.65 -0.85 1.49 0.00 -1.81 0.25 119.26 117.85 2k3a h ALA 80 Ca -0.01 -0.02 0.12 0.00 0.00 0.00 0.00 54.91 55.01 2k3a h ALA 80 Cb 0.37 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 17.94 2k3a h ALA 80 CO -0.11 0.03 0.55 0.77 0.00 0.00 0.00 179.25 180.49 2k3a h SER 81 N 0.63 0.66 0.88 0.00 0.02 -1.77 -1.47 113.55 112.50 2k3a h SER 81 Ca 0.20 0.03 -0.20 0.00 -0.84 0.00 0.00 61.79 60.97 2k3a h SER 81 Cb -0.01 -0.10 -0.03 0.00 0.14 0.00 0.00 62.40 62.39 2k3a h SER 81 CO -0.08 0.36 -1.20 0.00 -1.14 0.00 0.00 176.83 174.77 2k3a h ALA 82 N 1.60 0.60 -0.15 3.77 0.00 -0.40 -3.33 119.26 121.36 2k3a h ALA 82 Ca 0.41 -0.97 0.04 0.00 0.00 0.00 0.00 54.91 54.39 2k3a h ALA 82 Cb 0.61 0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.50 2k3a h ALA 82 CO -0.18 1.16 -0.08 0.00 0.00 0.00 0.00 179.25 180.15 2k3a h ALA 83 N 1.19 0.04 0.36 0.00 0.00 0.55 0.15 119.26 121.55 2k3a h ALA 83 Ca -0.12 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 2k3a h ALA 83 Cb 1.73 0.19 -0.00 0.00 0.00 0.00 0.00 17.79 19.70 2k3a h ALA 83 CO 0.08 -0.53 -0.22 0.66 0.00 0.00 0.00 179.25 179.24 2k3a h SER 84 N -0.08 -0.56 -0.85 0.00 4.64 -1.64 0.30 113.55 115.36 2k3a h SER 84 Ca 0.08 0.03 0.11 0.00 -0.47 0.00 0.00 61.79 61.55 2k3a h SER 84 Cb 0.20 0.17 -0.06 0.00 -0.31 0.00 0.00 62.40 62.40 2k3a h SER 84 CO -0.19 -0.36 0.55 -1.28 -0.87 0.00 0.00 176.83 174.68 2k3a h SER 85 N -0.56 0.70 1.04 4.97 0.87 -1.62 -0.61 113.55 118.33 2k3a h SER 85 Ca -0.04 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.55 2k3a h SER 85 Cb 0.46 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.31 2k3a h SER 85 CO 0.04 0.40 0.00 0.00 -0.53 0.00 0.00 176.83 176.74 2k3a n ALA 86 N -2.43 2.32 -0.69 6.23 0.00 0.51 -4.63 120.51 121.81 2k3a n ALA 86 Ca 0.15 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.50 2k3a n ALA 86 Cb 0.36 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.34 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 1.46 0.91 3.54 0.00 0.00 -0.24 -5.04 105.19 105.83 2k3a n GLY 87 Ca 0.07 -0.19 -0.25 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.65 -0.44 -3.69 1.61 4.02 0.94 -4.92 117.16 114.03 2k3a n TYR 88 Ca 0.00 -2.20 -0.38 0.00 -0.01 0.00 0.00 57.90 55.31 2k3a n TYR 88 Cb 0.14 -0.41 -0.11 0.00 -0.02 0.00 0.00 39.34 38.95 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 -2.57 3.77 -0.60 -0.72 2.01 -1.06 -4.47 115.64 112.00 2k3a s THR 89 Ca 0.26 -1.61 -0.19 0.00 0.31 0.00 0.00 61.69 60.45 2k3a s THR 89 Cb -0.02 -3.38 0.10 0.00 0.01 0.00 0.00 72.50 69.21 2k3a s THR 89 CO 0.16 -0.52 0.73 -0.69 -0.69 0.00 0.00 174.62 173.61 2k3a s VAL 90 N 1.31 4.79 0.20 3.82 1.01 -1.26 -0.56 120.40 129.72 2k3a s VAL 90 Ca 0.04 -0.97 0.10 0.00 0.00 0.00 0.00 61.98 61.14 2k3a s VAL 90 Cb -0.23 -4.51 -0.04 0.00 0.00 0.00 0.00 36.38 31.60 2k3a s VAL 90 CO -0.00 -1.16 -0.21 0.20 0.00 0.00 0.00 175.10 173.93 2k3a s ASN 91 N 3.63 3.15 0.00 3.32 0.02 -0.63 -4.93 114.94 119.49 2k3a s ASN 91 Ca 0.12 -0.91 0.29 0.00 -1.02 0.00 0.00 52.86 51.35 2k3a s ASN 91 Cb -0.23 -0.22 1.25 0.00 0.02 0.00 0.00 41.25 42.07 2k3a s ASN 91 CO 0.06 0.03 1.87 0.59 0.02 0.00 0.00 177.10 179.67 2k3a n ASN 92 N 0.06 0.52 -4.61 -1.22 4.13 -1.26 -0.69 115.26 112.19 2k3a n ASN 92 Ca -0.11 -0.68 -0.43 0.00 1.68 0.00 0.00 54.58 55.04 2k3a n ASN 92 Cb 0.57 -0.06 -0.03 0.00 -1.54 0.00 0.00 39.78 38.73 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 -2.41 5.95 0.00 6.41 0.01 -1.26 -4.71 113.70 117.70 2k3a s SER 93 Ca 0.31 1.58 0.00 0.00 1.31 0.00 0.00 55.95 59.15 2k3a s SER 93 Cb 0.20 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 63.91 2k3a s SER 93 CO 0.46 -1.61 0.47 -2.65 0.41 0.00 0.00 173.24 170.31 2k3a n PRO 94 N 8.26 0.91 -1.55 12.44 -0.02 -1.26 -4.82 135.00 148.95 2k3a n PRO 94 Ca 0.23 0.00 -0.44 0.00 -2.02 0.00 0.00 63.50 61.27 2k3a n PRO 94 Cb 0.46 -1.44 -0.01 0.00 -0.02 0.00 0.00 33.50 32.49 2k3a n PRO 94 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 2k3a n GLU 95 N 0.06 1.07 -1.75 -0.52 4.07 -1.26 -4.85 120.64 117.46 2k3a n GLU 95 Ca 0.00 0.38 -0.39 0.00 -0.06 0.00 0.00 57.16 57.09 2k3a n GLU 95 Cb 0.23 -1.72 0.03 0.00 -0.06 0.00 0.00 31.44 29.92 2k3a n GLU 95 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2k3a n ALA 96 N -0.10 1.78 -1.71 4.31 0.00 -1.26 -3.83 120.51 119.70 2k3a n ALA 96 Ca 0.11 0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.73 2k3a n ALA 96 Cb 0.34 -2.37 0.00 0.00 0.00 0.00 0.00 19.45 17.41 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 0.68 0.67 3.53 0.00 0.00 -0.88 -5.07 105.19 104.12 2k3a n GLY 97 Ca 0.08 -0.43 -0.14 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.64 0.73 -0.15 1.61 1.04 -1.25 -4.86 113.70 108.17 2k3a s SER 98 Ca 0.00 -1.40 0.01 0.00 0.48 0.00 0.00 55.95 55.04 2k3a s SER 98 Cb 0.00 0.67 0.02 0.00 0.10 0.00 0.00 66.02 66.81 2k3a s SER 98 CO 0.00 -1.32 -0.17 -0.63 0.98 0.00 0.00 173.24 172.10 2k3a s ILE 99 N -3.07 1.75 0.00 -1.02 1.01 -1.17 -0.99 121.20 117.72 2k3a s ILE 99 Ca 0.28 -0.76 -0.16 0.00 0.00 0.00 0.00 60.65 60.02 2k3a s ILE 99 Cb -0.01 -1.61 -0.06 0.00 0.01 0.00 0.00 42.46 40.80 2k3a s ILE 99 CO 0.18 0.49 0.43 -1.48 0.00 0.00 0.00 174.94 174.56 2k3a s LEU 100 N 1.30 4.47 -0.45 2.97 2.34 -1.12 -0.59 118.68 127.61 2k3a s LEU 100 Ca 0.02 0.99 -0.11 0.00 0.06 0.00 0.00 54.13 55.10 2k3a s LEU 100 Cb -0.13 -2.63 0.09 0.00 -0.56 0.00 0.00 46.19 42.95 2k3a s LEU 100 CO -0.09 0.30 0.32 -1.58 -1.06 0.00 0.00 176.35 174.23 2k3a s GLN 101 N -0.98 2.67 -0.75 1.48 0.74 0.54 -3.41 119.66 119.95 2k3a s GLN 101 Ca 0.24 -1.51 -0.26 0.00 0.05 0.00 0.00 55.36 53.88 2k3a s GLN 101 Cb -0.17 -3.91 0.00 0.00 1.10 0.00 0.00 33.01 30.04 2k3a s GLN 101 CO 0.14 -1.04 1.62 -1.12 -0.55 0.00 0.00 175.29 174.34 2k3a s SER 102 N 2.40 5.71 -0.02 6.67 0.01 0.14 -3.19 113.70 125.44 2k3a s SER 102 Ca 0.04 -0.31 0.09 0.00 1.31 0.00 0.00 55.95 57.08 2k3a s SER 102 Cb -0.24 -2.55 0.28 0.00 0.21 0.00 0.00 66.02 63.72 2k3a s SER 102 CO 0.02 -2.14 1.19 0.35 0.41 0.00 0.00 173.24 173.08 2k3a n THR 103 N 6.98 0.54 0.23 1.44 -2.24 -1.26 -1.75 114.28 118.22 2k3a n THR 103 Ca 0.19 -0.44 0.08 0.00 -2.27 0.00 0.00 64.05 61.61 2k3a n THR 103 Cb 0.50 0.10 0.56 0.00 -2.10 0.00 0.00 70.33 69.39 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 3.44 1.42 0.00 6.98 0.00 -1.97 -3.48 119.26 125.66 2k3a h ALA 104 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 2k3a h ALA 104 Cb 0.53 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2k3a h ALA 104 CO 0.03 0.25 0.00 0.41 0.00 0.00 0.00 179.25 179.95 2k3a n GLY 105 N -0.70 -1.53 2.88 0.00 0.00 -1.26 -5.06 105.19 99.52 2k3a n GLY 105 Ca -0.02 -1.39 -0.16 0.00 0.00 0.00 0.00 46.02 44.45 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 -0.53 -0.07 2.66 -0.02 0.00 -1.26 -2.41 105.19 103.56 2k3a n GLY 106 Ca 0.00 -0.05 -0.14 0.00 0.00 0.00 0.00 46.02 45.83 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 -4.05 0.00 0.00 1.61 4.01 -1.26 -4.70 117.16 112.78 2k3a n TYR 107 Ca -0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.72 2k3a n TYR 107 Cb 0.55 -2.92 0.00 0.00 -0.31 0.00 0.00 39.34 36.66 2k3a n TYR 107 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2k3a n GLY 108 N -0.23 -0.87 3.00 2.72 0.00 -1.01 -1.79 105.19 107.00 2k3a n GLY 108 Ca -0.14 -1.56 -0.10 0.00 0.00 0.00 0.00 46.02 44.22 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 -3.10 0.15 0.01 1.61 2.46 -0.72 -4.55 115.29 111.15 2k3a s HIS 109 Ca 0.00 -0.32 0.00 0.00 0.47 0.00 0.00 55.06 55.22 2k3a s HIS 109 Cb 0.00 -0.12 -0.01 0.00 -0.13 0.00 0.00 32.58 32.32 2k3a s HIS 109 CO 0.00 -0.18 -0.02 0.14 -2.47 0.00 0.00 174.74 172.21 2k3a s VAL 110 N -1.16 0.11 0.03 0.89 -7.23 -1.26 0.28 120.40 112.06 2k3a s VAL 110 Ca -0.13 -0.41 -0.11 0.00 -1.81 0.00 0.00 61.98 59.53 2k3a s VAL 110 Cb -0.08 -0.16 0.01 0.00 0.56 0.00 0.00 36.38 36.71 2k3a s VAL 110 CO -0.00 -0.19 0.22 0.00 -0.31 0.00 0.00 175.10 174.82 2k3a s ALA 111 N -0.62 -0.46 -0.11 1.32 0.00 -1.22 -4.68 121.76 115.99 2k3a s ALA 111 Ca -0.06 -0.14 -0.21 0.00 0.00 0.00 0.00 51.96 51.54 2k3a s ALA 111 Cb -0.04 0.25 -0.04 0.00 0.00 0.00 0.00 23.12 23.29 2k3a s ALA 111 CO -0.00 -0.34 0.62 -0.47 0.00 0.00 0.00 175.76 175.56 2k3a s TYR 112 N -2.29 3.52 -0.52 0.00 5.04 -1.23 -2.80 117.35 119.07 2k3a s TYR 112 Ca -0.07 1.07 -0.28 0.00 -2.44 0.00 0.00 57.07 55.35 2k3a s TYR 112 Cb -0.02 -2.73 0.01 0.00 0.35 0.00 0.00 41.96 39.57 2k3a s TYR 112 CO -0.02 0.06 1.43 0.08 -1.34 0.00 0.00 175.55 175.76 2k3a s VAL 113 N 0.97 3.81 -0.08 3.14 1.01 -0.16 -0.89 120.40 128.20 2k3a s VAL 113 Ca 0.32 0.73 -0.24 0.00 0.00 0.00 0.00 61.98 62.79 2k3a s VAL 113 Cb -0.16 -4.36 -0.20 0.00 0.00 0.00 0.00 36.38 31.66 2k3a s VAL 113 CO 0.14 -1.04 0.90 -0.33 0.00 0.00 0.00 175.10 174.77 2k3a h GLU 114 N 11.08 -0.07 -3.04 2.72 4.39 -1.31 -2.33 114.58 126.01 2k3a h GLU 114 Ca -0.27 0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.30 2k3a h GLU 114 Cb 1.10 0.02 -0.22 0.00 -0.10 0.00 0.00 28.75 29.54 2k3a h GLU 114 CO 1.15 0.55 -0.32 1.21 -1.16 0.00 0.00 179.01 180.44 2k3a s ASN 115 N -5.79 -0.23 -0.11 1.42 2.47 -1.02 -4.67 114.94 107.00 2k3a s ASN 115 Ca -0.15 0.30 0.02 0.00 0.42 0.00 0.00 52.86 53.45 2k3a s ASN 115 Cb -0.00 0.45 -0.01 0.00 -1.45 0.00 0.00 41.25 40.24 2k3a s ASN 115 CO 0.58 -0.30 -0.19 -0.69 -3.72 0.00 0.00 177.10 172.77 2k3a s VAL 116 N -0.70 2.48 0.23 -5.21 1.01 -1.26 -0.89 120.40 116.06 2k3a s VAL 116 Ca -0.08 -0.87 -0.14 0.00 0.00 0.00 0.00 61.98 60.89 2k3a s VAL 116 Cb -0.04 -1.99 -0.08 0.00 0.00 0.00 0.00 36.38 34.27 2k3a s VAL 116 CO 0.02 0.55 0.63 0.20 0.00 0.00 0.00 175.10 176.50 2k3a s ASN 117 N 0.34 6.81 0.34 3.32 0.01 -0.01 -4.98 114.94 120.77 2k3a s ASN 117 Ca -0.16 1.16 0.06 0.00 -0.71 0.00 0.00 52.86 53.21 2k3a s ASN 117 Cb -0.17 -2.32 0.71 0.00 0.41 0.00 0.00 41.25 39.88 2k3a s ASN 117 CO 0.08 -0.04 1.91 0.77 -1.51 0.00 0.00 177.10 178.31 2k3a h SER 118 N 2.93 0.73 0.12 -1.22 4.64 -2.00 0.14 113.55 118.88 2k3a h SER 118 Ca -0.48 0.02 -0.00 0.00 -0.47 0.00 0.00 61.79 60.86 2k3a h SER 118 Cb 1.18 -0.13 -0.00 0.00 -0.31 0.00 0.00 62.40 63.14 2k3a h SER 118 CO 0.66 0.43 -0.02 0.44 -0.87 0.00 0.00 176.83 177.48 2k3a h ASP 119 N 0.81 0.00 0.00 4.97 3.32 -2.06 -3.46 116.42 120.00 2k3a h ASP 119 Ca 0.39 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.44 2k3a h ASP 119 Cb 0.43 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.98 2k3a h ASP 119 CO -0.16 0.02 0.00 0.61 -1.72 0.00 0.00 179.24 177.99 2k3a n GLY 120 N -1.04 2.03 3.69 2.75 0.00 0.48 -4.91 105.19 108.19 2k3a n GLY 120 Ca -0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.56 2k3a n GLY 120 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2k3a n SER 121 N 0.00 3.84 -4.48 1.61 7.64 -1.25 -3.99 113.62 116.98 2k3a n SER 121 Ca 0.00 1.01 -0.36 0.00 1.01 0.00 0.00 58.87 60.53 2k3a n SER 121 Cb 0.00 -1.52 -0.12 0.00 -1.01 0.00 0.00 64.21 61.56 2k3a n SER 121 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2k3a s VAL 122 N 2.33 4.34 -0.39 0.44 1.01 -0.53 -0.83 120.40 126.77 2k3a s VAL 122 Ca 0.81 -0.17 -0.12 0.00 0.00 0.00 0.00 61.98 62.50 2k3a s VAL 122 Cb -0.53 -3.00 0.03 0.00 0.00 0.00 0.00 36.38 32.88 2k3a s VAL 122 CO 0.38 0.38 0.24 -1.61 0.00 0.00 0.00 175.10 174.49 2k3a s GLU 123 N 1.25 2.84 0.27 2.72 2.02 -0.06 -0.46 118.70 127.28 2k3a s GLU 123 Ca 0.04 -1.10 0.08 0.00 0.02 0.00 0.00 54.97 54.01 2k3a s GLU 123 Cb -0.15 -3.81 -0.04 0.00 0.10 0.00 0.00 34.13 30.24 2k3a s GLU 123 CO 0.03 -0.74 0.10 0.14 0.02 0.00 0.00 175.26 174.81 2k3a s VAL 124 N 1.58 3.86 -0.20 2.63 -7.23 -0.25 -0.83 120.40 119.96 2k3a s VAL 124 Ca 0.03 -1.66 -0.05 0.00 -1.81 0.00 0.00 61.98 58.48 2k3a s VAL 124 Cb -0.20 -3.10 -0.03 0.00 0.56 0.00 0.00 36.38 33.61 2k3a s VAL 124 CO 0.07 -0.35 0.01 -0.94 -0.31 0.00 0.00 175.10 173.59 2k3a s SER 125 N -3.77 4.94 0.38 4.85 1.04 -0.07 -0.29 113.70 120.77 2k3a s SER 125 Ca 0.33 -0.17 0.04 0.00 0.48 0.00 0.00 55.95 56.62 2k3a s SER 125 Cb -0.07 -1.85 0.04 0.00 0.10 0.00 0.00 66.02 64.24 2k3a s SER 125 CO 0.22 0.07 0.32 -0.62 0.98 0.00 0.00 173.24 174.21 2k3a n GLU 126 N 4.23 0.91 -3.80 4.02 1.02 0.82 -3.49 120.64 124.34 2k3a n GLU 126 Ca -0.17 -2.30 -0.13 0.00 -0.02 0.00 0.00 57.16 54.54 2k3a n GLU 126 Cb 0.52 0.19 -0.15 0.00 -0.02 0.00 0.00 31.44 31.98 2k3a n GLU 126 CO 0.00 0.00 0.00 1.41 1.18 0.00 0.00 177.13 179.72 2k3a s MET 127 N -3.57 0.03 -1.82 3.49 -2.45 -1.26 -1.52 119.30 112.21 2k3a s MET 127 Ca 0.24 0.17 0.00 0.00 -1.25 0.00 0.00 55.69 54.86 2k3a s MET 127 Cb -0.02 -0.11 0.00 0.00 1.25 0.00 0.00 34.83 35.95 2k3a s MET 127 CO 0.15 -0.10 0.00 -1.71 1.05 0.00 0.00 175.02 174.42 2k3a n ASN 128 N 3.69 -5.87 -2.20 1.11 5.15 -0.92 -4.88 115.26 111.34 2k3a n ASN 128 Ca -0.21 0.02 0.00 0.00 -0.60 0.00 0.00 54.58 53.80 2k3a n ASN 128 Cb 0.55 -4.90 0.00 0.00 -0.53 0.00 0.00 39.78 34.89 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 -3.89 -3.34 -1.69 1.20 9.36 -1.26 -4.86 117.16 112.69 2k3a n TYR 129 Ca -0.24 0.00 -0.29 0.00 3.32 0.00 0.00 57.90 60.69 2k3a n TYR 129 Cb 0.69 0.00 -0.04 0.00 -0.63 0.00 0.00 39.34 39.35 2k3a n TYR 129 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 2k3a s ASN 130 N -1.05 4.47 0.00 2.98 4.22 -1.26 -3.59 114.94 120.71 2k3a s ASN 130 Ca 0.00 0.48 0.00 0.00 -2.14 0.00 0.00 52.86 51.20 2k3a s ASN 130 Cb 0.00 -2.53 0.00 0.00 1.28 0.00 0.00 41.25 40.00 2k3a s ASN 130 CO 0.00 -3.09 0.00 0.61 -2.04 0.00 0.00 177.10 172.58 2k3a n GLY 131 N 6.28 -1.30 3.60 0.45 0.00 -1.26 -5.10 105.19 107.86 2k3a n GLY 131 Ca 0.37 0.51 -0.05 0.00 0.00 0.00 0.00 46.02 46.85 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 0.00 -0.17 0.33 -0.02 0.00 -1.24 -5.11 107.32 101.11 2k3a s GLY 132 Ca 0.00 2.06 -0.28 0.00 0.00 0.00 0.00 44.72 46.50 2k3a s GLY 132 CO 0.00 0.82 1.20 2.56 0.00 0.00 0.00 173.10 177.68 2k3a s PRO 133 N -1.71 4.39 -0.47 2.90 0.04 -1.26 -2.92 135.00 135.97 2k3a s PRO 133 Ca 0.07 1.99 0.00 0.00 0.04 0.00 0.00 61.00 63.10 2k3a s PRO 133 Cb -0.01 -3.02 0.00 0.00 0.04 0.00 0.00 34.50 31.51 2k3a s PRO 133 CO -0.04 -0.08 0.00 1.19 0.04 0.00 0.00 177.00 178.11 2k3a n PHE 134 N 0.77 0.00 -3.85 0.56 3.72 -1.26 -4.98 117.46 112.42 2k3a n PHE 134 Ca 0.01 0.00 -0.37 0.00 -0.05 0.00 0.00 57.45 57.03 2k3a n PHE 134 Cb 0.44 -1.86 -0.06 0.00 -0.94 0.00 0.00 39.48 37.05 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 -2.23 6.42 -0.28 4.37 0.15 -1.15 -4.92 113.70 116.06 2k3a s SER 135 Ca 0.00 0.50 -0.26 0.00 0.70 0.00 0.00 55.95 56.89 2k3a s SER 135 Cb 0.00 -2.08 0.00 0.00 -1.71 0.00 0.00 66.02 62.23 2k3a s SER 135 CO 0.00 0.40 0.90 -0.69 1.20 0.00 0.00 173.24 175.06 2k3a s VAL 136 N -1.01 4.73 -0.45 4.45 1.01 -1.26 -2.18 120.40 125.68 2k3a s VAL 136 Ca 0.16 1.56 -0.16 0.00 0.00 0.00 0.00 61.98 63.54 2k3a s VAL 136 Cb -0.12 -4.22 0.05 0.00 0.00 0.00 0.00 36.38 32.08 2k3a s VAL 136 CO 0.05 -0.23 0.41 -0.44 0.00 0.00 0.00 175.10 174.88 2k3a s SER 137 N 1.47 6.16 -0.48 3.32 0.01 -0.58 -4.89 113.70 118.72 2k3a s SER 137 Ca 0.38 -1.05 -0.28 0.00 1.31 0.00 0.00 55.95 56.30 2k3a s SER 137 Cb -0.14 -2.20 0.03 0.00 0.21 0.00 0.00 66.02 63.92 2k3a s SER 137 CO 0.10 -0.62 1.10 -1.61 0.41 0.00 0.00 173.24 172.62 2k3a s GLU 138 N 1.87 3.68 -0.23 12.44 2.02 -1.26 -0.13 118.70 137.10 2k3a s GLU 138 Ca 0.07 0.49 -0.06 0.00 0.02 0.00 0.00 54.97 55.49 2k3a s GLU 138 Cb -0.21 -3.91 -0.02 0.00 0.10 0.00 0.00 34.13 30.09 2k3a s GLU 138 CO 0.09 -1.36 0.02 0.50 0.02 0.00 0.00 175.26 174.54 2k3a s ARG 139 N 4.34 3.56 -0.53 1.61 3.52 0.60 -4.94 118.95 127.10 2k3a s ARG 139 Ca 0.46 -0.53 -0.19 0.00 -0.13 0.00 0.00 55.73 55.34 2k3a s ARG 139 Cb -0.08 -3.17 0.07 0.00 -1.56 0.00 0.00 34.95 30.22 2k3a s ARG 139 CO 0.31 -0.15 0.63 0.99 -0.81 0.00 0.00 175.30 176.27 2k3a s THR 140 N 1.44 4.89 0.07 4.11 2.01 -1.26 -1.09 115.64 125.81 2k3a s THR 140 Ca 0.05 -0.71 -0.15 0.00 0.31 0.00 0.00 61.69 61.19 2k3a s THR 140 Cb -0.15 -4.34 -0.06 0.00 0.01 0.00 0.00 72.50 67.96 2k3a s THR 140 CO 0.01 -0.88 0.48 -0.63 -0.69 0.00 0.00 174.62 172.91 2k3a s ILE 141 N 2.54 4.92 0.45 1.82 1.01 0.40 -4.93 121.20 127.41 2k3a s ILE 141 Ca 0.13 0.85 -0.24 0.00 0.00 0.00 0.00 60.65 61.39 2k3a s ILE 141 Cb -0.21 -3.75 -0.08 0.00 0.01 0.00 0.00 42.46 38.43 2k3a s ILE 141 CO 0.10 0.42 1.24 -0.44 0.00 0.00 0.00 174.94 176.26 2k3a s SER 142 N -1.40 6.12 0.22 3.58 0.01 -1.26 -1.46 113.70 119.52 2k3a s SER 142 Ca 0.31 2.50 -0.09 0.00 1.31 0.00 0.00 55.95 59.98 2k3a s SER 142 Cb -0.16 -2.62 0.33 0.00 0.21 0.00 0.00 66.02 63.77 2k3a s SER 142 CO 0.17 -0.97 1.67 0.00 0.41 0.00 0.00 173.24 174.53 2k3a h ALA 143 N 2.25 0.69 0.34 1.44 0.00 -1.91 0.54 119.26 122.61 2k3a h ALA 143 Ca -0.50 0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2k3a h ALA 143 Cb 1.25 0.29 -0.03 0.00 0.00 0.00 0.00 17.79 19.30 2k3a h ALA 143 CO 0.61 -0.37 -0.42 0.78 0.00 0.00 0.00 179.25 179.85 2k3a h GLY 144 N 0.17 -0.96 1.02 0.00 0.00 -1.92 -0.12 103.07 101.25 2k3a h GLY 144 Ca 0.34 0.49 -0.04 0.00 0.00 0.00 0.00 47.33 48.12 2k3a h GLY 144 CO -0.51 -0.31 0.24 -2.09 0.00 0.00 0.00 176.54 173.87 2k3a h GLU 145 N -0.80 0.99 -0.03 4.80 4.57 -1.88 -3.16 114.58 119.07 2k3a h GLU 145 Ca -0.02 -0.19 0.02 0.00 -1.18 0.00 0.00 59.36 57.98 2k3a h GLU 145 Cb 0.74 -0.15 -0.02 0.00 -0.16 0.00 0.00 28.75 29.15 2k3a h GLU 145 CO -0.11 0.85 -0.10 0.00 -1.18 0.00 0.00 179.01 178.47 2k3a h ALA 146 N 1.10 -0.08 0.00 2.92 0.00 -0.69 -1.96 119.26 120.54 2k3a h ALA 146 Ca 0.21 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.14 2k3a h ALA 146 Cb 0.24 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2k3a h ALA 146 CO -0.01 -0.58 0.00 0.43 0.00 0.00 0.00 179.25 179.09 2k3a n SER 147 N -5.23 0.21 0.01 0.00 7.64 -0.08 -0.97 113.62 115.21 2k3a n SER 147 Ca -0.05 0.58 0.13 0.00 1.01 0.00 0.00 58.87 60.54 2k3a n SER 147 Cb 0.15 -0.61 0.49 0.00 -1.01 0.00 0.00 64.21 63.23 2k3a n SER 147 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2k3a n SER 148 N -1.76 0.20 -4.90 6.43 2.88 -0.74 -4.84 113.62 110.89 2k3a n SER 148 Ca 0.01 0.29 -0.29 0.00 -1.33 0.00 0.00 58.87 57.54 2k3a n SER 148 Cb 0.08 -0.29 -0.04 0.00 -0.75 0.00 0.00 64.21 63.22 2k3a n SER 148 CO 0.00 0.00 0.00 -0.31 -1.23 0.00 0.00 175.04 173.50 2k3a s TYR 149 N -3.01 3.47 -0.41 0.66 2.02 -0.14 -4.93 117.35 115.01 2k3a s TYR 149 Ca 0.13 0.59 -0.25 0.00 -0.37 0.00 0.00 57.07 57.17 2k3a s TYR 149 Cb 0.18 -2.05 0.02 0.00 -0.40 0.00 0.00 41.96 39.71 2k3a s TYR 149 CO 0.59 0.28 0.89 -0.80 -1.57 0.00 0.00 175.55 174.94 2k3a s ASN 150 N -2.91 6.58 -0.37 2.29 0.01 -1.19 -4.65 114.94 114.69 2k3a s ASN 150 Ca 0.43 0.34 -0.18 0.00 -0.71 0.00 0.00 52.86 52.73 2k3a s ASN 150 Cb -0.11 -2.44 0.00 0.00 0.41 0.00 0.00 41.25 39.11 2k3a s ASN 150 CO 0.27 -0.91 0.52 -0.31 -1.51 0.00 0.00 177.10 175.17 2k3a s TYR 151 N 3.50 3.16 -0.04 2.20 1.51 0.13 -0.34 117.35 127.47 2k3a s TYR 151 Ca 0.36 0.06 -0.30 0.00 -1.01 0.00 0.00 57.07 56.18 2k3a s TYR 151 Cb -0.11 -2.98 -0.02 0.00 -0.11 0.00 0.00 41.96 38.73 2k3a s TYR 151 CO 0.21 -0.61 0.98 0.42 -1.11 0.00 0.00 175.55 175.45 2k3a s ILE 152 N 2.41 4.84 0.05 2.71 1.09 0.25 -1.60 121.20 130.95 2k3a s ILE 152 Ca 0.18 2.04 0.09 0.00 -1.10 0.00 0.00 60.65 61.86 2k3a s ILE 152 Cb -0.15 -4.31 -0.03 0.00 -1.06 0.00 0.00 42.46 36.90 2k3a s ILE 152 CO 0.14 0.11 -0.25 -1.00 -0.10 0.00 0.00 174.94 173.84 2k3a s HIS 153 N 1.36 2.20 -0.19 3.97 3.76 0.28 -3.05 115.29 123.61 2k3a s HIS 153 Ca 0.50 -0.40 -0.12 0.00 -0.15 0.00 0.00 55.06 54.90 2k3a s HIS 153 Cb -0.20 -1.31 -0.05 0.00 1.11 0.00 0.00 32.58 32.13 2k3a s HIS 153 CO 0.24 0.13 0.20 -0.51 -0.85 0.00 0.00 174.74 173.95 2k3a s LEU 154 N -1.28 4.21 0.00 0.89 1.43 -1.26 -2.57 118.68 120.10 2k3a s LEU 154 Ca 0.11 0.32 0.28 0.00 -1.03 0.00 0.00 54.13 53.81 2k3a s LEU 154 Cb -0.10 -2.20 1.04 0.00 0.03 0.00 0.00 46.19 44.96 2k3a s LEU 154 CO 0.02 0.13 1.74 0.59 0.23 0.00 0.00 176.35 179.06