#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 3.06 -0.20 3.17 -2.85 -1.26 -5.11 119.74 116.56 2k3a s LYS 2 Ca 0.00 -0.87 -0.00 0.00 -1.00 0.00 0.00 55.97 54.10 2k3a s LYS 2 Cb 0.00 -2.32 0.05 0.00 -2.06 0.00 0.00 37.83 33.50 2k3a s LYS 2 CO 0.00 0.19 -0.06 0.21 0.10 0.00 0.00 175.35 175.79 2k3a s LYS 3 N 0.33 1.56 0.62 1.78 2.47 -1.26 -5.14 119.74 120.10 2k3a s LYS 3 Ca -0.18 -0.72 -0.12 0.00 -1.56 0.00 0.00 55.97 53.39 2k3a s LYS 3 Cb -0.18 -2.28 -0.04 0.00 -1.46 0.00 0.00 37.83 33.87 2k3a s LYS 3 CO 0.09 -0.50 1.03 -0.51 0.16 0.00 0.00 175.35 175.62 2k3a s LEU 4 N 1.53 3.26 -0.01 5.43 1.43 -1.26 -5.09 118.68 123.97 2k3a s LEU 4 Ca -0.02 1.45 -0.01 0.00 -1.03 0.00 0.00 54.13 54.53 2k3a s LEU 4 Cb -0.17 -4.48 0.01 0.00 0.03 0.00 0.00 46.19 41.58 2k3a s LEU 4 CO -0.07 -0.89 0.02 0.54 0.23 0.00 0.00 176.35 176.18 2k3a s VAL 5 N -3.11 -0.01 -0.31 -1.59 0.11 -1.26 -5.05 120.40 109.19 2k3a s VAL 5 Ca 0.56 0.03 0.09 0.00 -2.93 0.00 0.00 61.98 59.73 2k3a s VAL 5 Cb -0.11 -0.05 0.58 0.00 -1.53 0.00 0.00 36.38 35.27 2k3a s VAL 5 CO 0.52 0.01 1.61 0.35 -3.33 0.00 0.00 175.10 174.25 2k3a n THR 6 N 3.21 2.70 -1.71 5.04 -2.24 -1.26 -4.97 114.28 115.04 2k3a n THR 6 Ca -0.14 -2.25 -0.21 0.00 -2.27 0.00 0.00 64.05 59.18 2k3a n THR 6 Cb 0.59 -0.35 -0.06 0.00 -2.10 0.00 0.00 70.33 68.41 2k3a n THR 6 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2k3a s ALA 7 N -3.15 1.14 0.03 6.98 0.00 -1.26 -4.89 121.76 120.62 2k3a s ALA 7 Ca 0.48 -0.85 -0.02 0.00 0.00 0.00 0.00 51.96 51.57 2k3a s ALA 7 Cb 0.42 -4.52 -0.02 0.00 0.00 0.00 0.00 23.12 18.99 2k3a s ALA 7 CO 0.06 -5.33 0.01 -0.08 0.00 0.00 0.00 175.76 170.42 2k3a s THR 8 N 12.95 0.14 -0.23 0.00 -1.32 -1.26 -5.15 115.64 120.78 2k3a s THR 8 Ca 0.86 -1.19 0.02 0.00 -1.21 0.00 0.00 61.69 60.17 2k3a s THR 8 Cb -0.12 -0.78 0.04 0.00 -1.51 0.00 0.00 72.50 70.14 2k3a s THR 8 CO 0.09 -0.66 -0.14 0.28 -2.21 0.00 0.00 174.62 171.98 2k3a s THR 9 N -2.43 2.08 -0.16 5.08 -1.32 -1.26 -5.08 115.64 112.55 2k3a s THR 9 Ca -0.07 -1.34 -0.04 0.00 -1.21 0.00 0.00 61.69 59.03 2k3a s THR 9 Cb -0.03 -2.08 0.06 0.00 -1.51 0.00 0.00 72.50 68.94 2k3a s THR 9 CO -0.04 0.19 0.07 -0.76 -2.21 0.00 0.00 174.62 171.87 2k3a s LEU 10 N 1.19 0.50 -0.03 9.08 1.43 -1.26 -5.15 118.68 124.45 2k3a s LEU 10 Ca -0.03 -0.57 -0.02 0.00 -1.03 0.00 0.00 54.13 52.47 2k3a s LEU 10 Cb -0.17 -0.31 -0.04 0.00 0.03 0.00 0.00 46.19 45.70 2k3a s LEU 10 CO -0.08 -0.33 0.11 -0.89 0.23 0.00 0.00 176.35 175.39 2k3a s THR 11 N 2.08 4.97 0.09 5.49 2.01 -1.26 -5.12 115.64 123.90 2k3a s THR 11 Ca 0.02 -0.25 0.00 0.00 0.31 0.00 0.00 61.69 61.77 2k3a s THR 11 Cb -0.16 -3.25 -0.04 0.00 0.01 0.00 0.00 72.50 69.06 2k3a s THR 11 CO -0.08 0.41 -0.03 0.00 -0.69 0.00 0.00 174.62 174.23 2k3a s ALA 12 N -1.17 0.84 0.00 7.40 0.00 -1.26 -5.17 121.76 122.40 2k3a s ALA 12 Ca 0.22 -1.35 0.00 0.00 0.00 0.00 0.00 51.96 50.83 2k3a s ALA 12 Cb -0.12 0.35 0.00 0.00 0.00 0.00 0.00 23.12 23.35 2k3a s ALA 12 CO 0.13 -0.33 0.00 0.41 0.00 0.00 0.00 175.76 175.97 2k3a n GLY 13 N -0.02 3.13 2.83 0.00 0.00 -1.26 -5.16 105.19 104.71 2k3a n GLY 13 Ca -0.11 -0.36 -0.19 0.00 0.00 0.00 0.00 46.02 45.36 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 -1.59 0.33 -0.29 -0.61 -0.00 -1.26 -5.13 121.20 112.64 2k3a s ILE 14 Ca 0.00 0.03 -0.11 0.00 -0.00 0.00 0.00 60.65 60.57 2k3a s ILE 14 Cb 0.00 -0.41 -0.03 0.00 -0.00 0.00 0.00 42.46 42.01 2k3a s ILE 14 CO 0.00 0.19 0.18 -0.83 -0.00 0.00 0.00 174.94 174.48 2k3a s GLY 15 N 1.16 1.90 0.11 6.27 0.00 -1.26 -5.09 107.32 110.41 2k3a s GLY 15 Ca -0.08 -1.19 -0.23 0.00 0.00 0.00 0.00 44.72 43.22 2k3a s GLY 15 CO -0.02 0.66 0.69 0.00 0.00 0.00 0.00 173.10 174.44 2k3a s ALA 16 N 1.71 3.49 -0.31 3.20 0.00 -1.26 -5.06 121.76 123.53 2k3a s ALA 16 Ca 0.06 0.22 -0.03 0.00 0.00 0.00 0.00 51.96 52.22 2k3a s ALA 16 Cb -0.16 -2.84 0.05 0.00 0.00 0.00 0.00 23.12 20.17 2k3a s ALA 16 CO 0.09 0.29 0.02 0.00 0.00 0.00 0.00 175.76 176.16 2k3a s ALA 17 N -0.92 2.86 0.11 0.00 0.00 -1.26 -5.11 121.76 117.45 2k3a s ALA 17 Ca 0.33 -1.77 -0.20 0.00 0.00 0.00 0.00 51.96 50.32 2k3a s ALA 17 Cb -0.21 -2.00 -0.07 0.00 0.00 0.00 0.00 23.12 20.84 2k3a s ALA 17 CO 0.23 -1.29 0.62 0.42 0.00 0.00 0.00 175.76 175.74 2k3a s ILE 18 N 1.27 4.67 -0.02 0.00 1.01 -1.26 -5.09 121.20 121.79 2k3a s ILE 18 Ca -0.04 1.27 0.07 0.00 0.00 0.00 0.00 60.65 61.94 2k3a s ILE 18 Cb -0.20 -3.92 -0.02 0.00 0.01 0.00 0.00 42.46 38.33 2k3a s ILE 18 CO -0.01 0.47 -0.23 0.68 0.00 0.00 0.00 174.94 175.86 2k3a s VAL 19 N -1.20 2.33 -0.17 2.92 -7.23 -1.26 -5.13 120.40 110.66 2k3a s VAL 19 Ca 0.33 -1.06 -0.01 0.00 -1.81 0.00 0.00 61.98 59.42 2k3a s VAL 19 Cb -0.19 -1.85 0.05 0.00 0.56 0.00 0.00 36.38 34.94 2k3a s VAL 19 CO 0.21 0.55 -0.01 -0.83 -0.31 0.00 0.00 175.10 174.70 2k3a s GLY 20 N -0.75 0.82 0.47 2.32 0.00 -1.26 -5.13 107.32 103.79 2k3a s GLY 20 Ca 0.11 -0.73 -0.20 0.00 0.00 0.00 0.00 44.72 43.89 2k3a s GLY 20 CO 0.00 1.16 1.01 1.08 0.00 0.00 0.00 173.10 176.35 2k3a s LEU 21 N 1.75 3.86 0.27 0.66 2.01 -1.26 -5.05 118.68 120.92 2k3a s LEU 21 Ca -0.00 1.85 -0.19 0.00 0.01 0.00 0.00 54.13 55.81 2k3a s LEU 21 Cb -0.16 -4.55 -0.09 0.00 0.01 0.00 0.00 46.19 41.40 2k3a s LEU 21 CO -0.07 -0.68 0.76 -1.81 1.01 0.00 0.00 176.35 175.56 2k3a s ASP 22 N -2.08 6.99 0.22 2.29 1.11 -1.26 -5.09 116.67 118.85 2k3a s ASP 22 Ca 0.66 1.43 0.05 0.00 0.18 0.00 0.00 52.55 54.87 2k3a s ASP 22 Cb -0.14 -2.43 -0.05 0.00 1.07 0.00 0.00 42.92 41.37 2k3a s ASP 22 CO 0.19 -0.07 -0.05 -1.00 1.18 0.00 0.00 175.17 175.41 2k3a s HIS 23 N -1.71 1.61 0.00 4.23 3.76 -1.26 -5.03 115.29 116.89 2k3a s HIS 23 Ca 0.48 -0.80 0.00 0.00 -0.15 0.00 0.00 55.06 54.59 2k3a s HIS 23 Cb -0.14 -0.89 0.00 0.00 1.11 0.00 0.00 32.58 32.66 2k3a s HIS 23 CO 0.20 0.10 0.00 0.41 -0.85 0.00 0.00 174.74 174.60 2k3a n GLY 24 N -0.41 0.78 3.05 -2.22 0.00 -1.26 -5.13 105.19 100.00 2k3a n GLY 24 Ca -0.07 -0.63 -0.31 0.00 0.00 0.00 0.00 46.02 45.01 2k3a n GLY 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k3a s ASN 25 N -0.19 3.04 0.85 1.61 4.22 -1.26 -5.13 114.94 118.08 2k3a s ASN 25 Ca 0.00 -0.65 -0.10 0.00 -2.14 0.00 0.00 52.86 49.96 2k3a s ASN 25 Cb 0.00 -1.31 0.10 0.00 1.28 0.00 0.00 41.25 41.32 2k3a s ASN 25 CO 0.00 -0.06 1.11 -1.61 -2.04 0.00 0.00 177.10 174.51 2k3a s GLU 26 N 1.38 1.62 -0.26 3.55 0.41 -1.26 -5.05 118.70 119.09 2k3a s GLU 26 Ca 0.03 1.30 -0.02 0.00 -0.41 0.00 0.00 54.97 55.88 2k3a s GLU 26 Cb -0.14 -1.81 0.08 0.00 -1.78 0.00 0.00 34.13 30.48 2k3a s GLU 26 CO -0.11 -2.13 0.06 0.00 -0.49 0.00 0.00 175.26 172.59 2k3a s ALA 27 N -2.79 1.31 0.64 5.21 0.00 -1.26 -5.14 121.76 119.72 2k3a s ALA 27 Ca 0.64 -1.24 -0.13 0.00 0.00 0.00 0.00 51.96 51.23 2k3a s ALA 27 Cb -0.20 -1.42 -0.02 0.00 0.00 0.00 0.00 23.12 21.48 2k3a s ALA 27 CO 0.57 -1.44 1.05 0.16 0.00 0.00 0.00 175.76 176.11 2k3a s ASP 28 N 1.72 5.65 -0.23 0.00 -4.77 -1.26 -5.08 116.67 112.71 2k3a s ASP 28 Ca 0.04 1.70 -0.27 0.00 -3.30 0.00 0.00 52.55 50.73 2k3a s ASP 28 Cb -0.17 -2.51 0.11 0.00 -1.09 0.00 0.00 42.92 39.25 2k3a s ASP 28 CO -0.18 -1.26 0.94 0.00 0.70 0.00 0.00 175.17 175.38 2k3a s ALA 29 N -2.75 -1.91 -1.57 2.11 0.00 -1.26 -4.99 121.76 111.39 2k3a s ALA 29 Ca 0.61 1.78 0.00 0.00 0.00 0.00 0.00 51.96 54.34 2k3a s ALA 29 Cb -0.15 -1.08 0.00 0.00 0.00 0.00 0.00 23.12 21.89 2k3a s ALA 29 CO 0.45 -0.28 0.00 0.00 0.00 0.00 0.00 175.76 175.93 2k3a n ALA 30 N 1.80 -0.23 -2.63 0.00 0.00 -1.26 -4.89 120.51 113.31 2k3a n ALA 30 Ca -0.13 0.24 -0.43 0.00 0.00 0.00 0.00 53.44 53.12 2k3a n ALA 30 Cb 0.56 -1.89 0.00 0.00 0.00 0.00 0.00 19.45 18.12 2k3a n ALA 30 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2k3a n GLU 31 N -1.39 3.28 0.00 0.00 2.13 -1.26 -4.21 120.64 119.19 2k3a n GLU 31 Ca -0.15 -3.47 0.00 0.00 0.66 0.00 0.00 57.16 54.20 2k3a n GLU 31 Cb 0.63 -3.24 0.00 0.00 0.27 0.00 0.00 31.44 29.10 2k3a n GLU 31 CO 0.00 0.00 0.00 0.94 -0.41 0.00 0.00 177.13 177.66 2k3a n GLN 32 N 6.62 1.02 -2.99 5.31 -0.06 -1.26 -5.00 117.38 121.02 2k3a n GLN 32 Ca 0.43 -0.09 -0.44 0.00 -2.00 0.00 0.00 57.00 54.90 2k3a n GLN 32 Cb 0.43 -0.43 -0.03 0.00 -4.06 0.00 0.00 30.24 26.16 2k3a n GLN 32 CO 0.00 0.00 0.00 -0.08 -0.20 0.00 0.00 177.06 176.78 2k3a s THR 33 N -0.17 4.84 -0.04 1.69 -1.32 -1.26 -5.02 115.64 114.36 2k3a s THR 33 Ca 0.00 -1.62 -0.30 0.00 -1.21 0.00 0.00 61.69 58.57 2k3a s THR 33 Cb 0.00 -4.72 -0.05 0.00 -1.51 0.00 0.00 72.50 66.22 2k3a s THR 33 CO 0.00 -1.42 1.53 -1.10 -2.21 0.00 0.00 174.62 171.42 2k3a s GLN 34 N 2.40 4.22 -0.69 7.08 1.11 -1.26 -4.90 119.66 127.62 2k3a s GLN 34 Ca 0.29 2.08 -0.17 0.00 0.01 0.00 0.00 55.36 57.56 2k3a s GLN 34 Cb -0.07 -3.80 -0.14 0.00 -1.01 0.00 0.00 33.01 27.99 2k3a s GLN 34 CO -0.08 -0.74 1.89 -0.35 0.01 0.00 0.00 175.29 176.02 2k3a n PRO 35 N 6.41 1.42 -2.15 2.91 -0.04 -1.26 -4.87 135.00 137.41 2k3a n PRO 35 Ca 0.16 -1.59 -0.30 0.00 -0.04 0.00 0.00 63.50 61.73 2k3a n PRO 35 Cb 0.43 -2.71 -0.05 0.00 -0.04 0.00 0.00 33.50 31.14 2k3a n PRO 35 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2k3a s THR 36 N 4.78 3.54 0.32 0.52 -4.23 -1.26 -4.92 115.64 114.39 2k3a s THR 36 Ca 0.51 -0.41 0.03 0.00 -1.18 0.00 0.00 61.69 60.63 2k3a s THR 36 Cb 0.13 -4.21 -0.05 0.00 1.34 0.00 0.00 72.50 69.71 2k3a s THR 36 CO 0.09 -1.14 0.11 0.20 -0.54 0.00 0.00 174.62 173.34 2k3a s ASN 37 N 7.42 1.93 0.00 3.99 0.01 -1.26 -5.04 114.94 121.99 2k3a s ASN 37 Ca 0.65 -1.48 0.14 0.00 -0.71 0.00 0.00 52.86 51.46 2k3a s ASN 37 Cb -0.06 0.22 0.11 0.00 0.41 0.00 0.00 41.25 41.93 2k3a s ASN 37 CO -0.01 -0.78 0.94 0.00 -1.51 0.00 0.00 177.10 175.74 2k3a n GLN 38 N -0.65 0.94 -3.72 -0.60 3.00 -1.26 -5.03 117.38 110.06 2k3a n GLN 38 Ca -0.02 -1.33 -0.34 0.00 -0.01 0.00 0.00 57.00 55.31 2k3a n GLN 38 Cb 0.66 -1.27 -0.05 0.00 0.00 0.00 0.00 30.24 29.58 2k3a n GLN 38 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.06 175.52 2k3a s SER 39 N -1.16 6.51 -0.13 1.08 1.04 -1.26 -5.10 113.70 114.68 2k3a s SER 39 Ca 0.16 0.58 -0.04 0.00 0.48 0.00 0.00 55.95 57.14 2k3a s SER 39 Cb 0.12 -2.09 0.06 0.00 0.10 0.00 0.00 66.02 64.20 2k3a s SER 39 CO 0.17 0.19 0.18 0.28 0.98 0.00 0.00 173.24 175.04 2k3a s THR 40 N -1.41 -0.27 -0.25 2.02 -1.32 -1.26 -5.14 115.64 108.00 2k3a s THR 40 Ca 0.32 0.16 -0.02 0.00 -1.21 0.00 0.00 61.69 60.94 2k3a s THR 40 Cb -0.13 -0.45 0.03 0.00 -1.51 0.00 0.00 72.50 70.44 2k3a s THR 40 CO 0.19 -0.00 -0.06 0.42 -2.21 0.00 0.00 174.62 172.96 2k3a s THR 41 N 2.29 2.87 -0.70 5.08 -4.23 -1.26 -5.06 115.64 114.63 2k3a s THR 41 Ca 0.04 -1.06 -0.10 0.00 -1.18 0.00 0.00 61.69 59.39 2k3a s THR 41 Cb -0.14 -2.48 0.18 0.00 1.34 0.00 0.00 72.50 71.41 2k3a s THR 41 CO -0.08 0.17 0.60 -1.10 -0.54 0.00 0.00 174.62 173.67 2k3a s GLN 42 N 1.32 3.11 -0.49 3.99 1.11 -1.26 -5.02 119.66 122.42 2k3a s GLN 42 Ca -0.00 -2.35 -0.06 0.00 0.01 0.00 0.00 55.36 52.96 2k3a s GLN 42 Cb -0.17 -4.15 0.13 0.00 -1.01 0.00 0.00 33.01 27.81 2k3a s GLN 42 CO -0.04 -1.25 0.32 -1.54 0.01 0.00 0.00 175.29 172.79 2k3a s SER 43 N 1.87 5.49 -0.02 5.90 1.04 -1.26 -4.92 113.70 121.79 2k3a s SER 43 Ca 0.15 -2.15 0.18 0.00 0.48 0.00 0.00 55.95 54.61 2k3a s SER 43 Cb -0.17 -1.92 -0.20 0.00 0.10 0.00 0.00 66.02 63.84 2k3a s SER 43 CO -0.05 -0.57 0.58 0.41 0.98 0.00 0.00 173.24 174.58 2k3a n THR 44 N 4.50 1.06 -2.03 2.02 -1.04 -1.26 -4.72 114.28 112.81 2k3a n THR 44 Ca -0.02 -0.70 -0.27 0.00 -2.04 0.00 0.00 64.05 61.02 2k3a n THR 44 Cb 0.41 -0.56 -0.06 0.00 -1.82 0.00 0.00 70.33 68.29 2k3a n THR 44 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 2k3a s SER 45 N -5.51 4.96 0.00 8.00 0.15 -1.26 -4.72 113.70 115.32 2k3a s SER 45 Ca -0.06 -1.35 0.00 0.00 0.70 0.00 0.00 55.95 55.25 2k3a s SER 45 Cb 0.09 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.82 2k3a s SER 45 CO 0.83 -3.09 0.00 0.61 1.20 0.00 0.00 173.24 172.79 2k3a n GLY 46 N 6.11 -2.48 3.95 9.45 0.00 -1.26 -4.40 105.19 116.57 2k3a n GLY 46 Ca 0.43 -1.26 0.04 0.00 0.00 0.00 0.00 46.02 45.24 2k3a n GLY 46 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2k3a n SER 47 N 2.42 -1.02 -0.14 1.61 3.41 -0.82 -4.96 113.62 114.13 2k3a n SER 47 Ca 0.00 -1.05 0.12 0.00 -0.26 0.00 0.00 58.87 57.68 2k3a n SER 47 Cb 0.00 1.54 0.30 0.00 -0.26 0.00 0.00 64.21 65.80 2k3a n SER 47 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2k3a n SER 48 N -1.00 0.83 -4.57 4.04 7.64 -1.26 -4.39 113.62 114.91 2k3a n SER 48 Ca 0.06 -0.64 -0.31 0.00 1.01 0.00 0.00 58.87 58.99 2k3a n SER 48 Cb 0.57 0.21 -0.05 0.00 -1.01 0.00 0.00 64.21 63.94 2k3a n SER 48 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2k3a s ALA 49 N -2.72 2.02 -0.34 -0.43 0.00 -1.26 -4.93 121.76 114.11 2k3a s ALA 49 Ca 0.18 -1.94 -0.29 0.00 0.00 0.00 0.00 51.96 49.91 2k3a s ALA 49 Cb 0.18 -4.59 -0.00 0.00 0.00 0.00 0.00 23.12 18.71 2k3a s ALA 49 CO 0.60 -4.60 1.45 1.21 0.00 0.00 0.00 175.76 174.43 2k3a s ASN 50 N 6.75 6.40 0.00 0.00 2.47 -1.26 -4.69 114.94 124.60 2k3a s ASN 50 Ca 0.64 1.13 0.27 0.00 0.42 0.00 0.00 52.86 55.32 2k3a s ASN 50 Cb -0.03 -2.54 0.92 0.00 -1.45 0.00 0.00 41.25 38.15 2k3a s ASN 50 CO 0.03 -1.33 1.70 0.18 -3.72 0.00 0.00 177.10 173.96 2k3a n LEU 51 N 8.55 0.26 -4.89 3.21 4.77 -1.26 -4.88 117.00 122.77 2k3a n LEU 51 Ca 0.17 0.23 -0.30 0.00 -0.03 0.00 0.00 56.01 56.09 2k3a n LEU 51 Cb 0.47 -0.36 0.17 0.00 -2.33 0.00 0.00 43.42 41.37 2k3a n LEU 51 CO 0.67 0.06 0.83 -0.31 -1.33 0.00 0.00 177.39 177.31 2k3a s TYR 52 N -2.95 1.74 0.15 -1.77 2.02 -1.26 -5.07 117.35 110.20 2k3a s TYR 52 Ca 0.14 0.43 0.10 0.00 -0.37 0.00 0.00 57.07 57.37 2k3a s TYR 52 Cb 0.18 -3.92 -0.04 0.00 -0.40 0.00 0.00 41.96 37.78 2k3a s TYR 52 CO 0.60 -2.63 -0.23 -0.08 -1.57 0.00 0.00 175.55 171.64 2k3a s THR 53 N -3.72 2.10 0.44 -0.71 -1.32 -1.26 -5.01 115.64 106.15 2k3a s THR 53 Ca 0.71 -1.83 -0.25 0.00 -1.21 0.00 0.00 61.69 59.11 2k3a s THR 53 Cb -0.06 -1.92 -0.09 0.00 -1.51 0.00 0.00 72.50 68.92 2k3a s THR 53 CO 0.53 -0.08 1.29 0.00 -2.21 0.00 0.00 174.62 174.15 2k3a n ALA 54 N 0.63 1.38 0.00 11.08 0.00 -1.26 -2.54 120.51 129.80 2k3a n ALA 54 Ca -0.16 0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.53 2k3a n ALA 54 Cb 0.55 -2.28 0.00 0.00 0.00 0.00 0.00 19.45 17.71 2k3a n ALA 54 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k3a n GLY 55 N 0.79 2.84 3.78 0.00 0.00 -1.26 -5.05 105.19 106.29 2k3a n GLY 55 Ca 0.07 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.74 4.53 0.53 1.61 -0.21 -1.05 -4.92 119.66 119.40 2k3a s GLN 56 Ca 0.00 1.15 0.18 0.00 0.02 0.00 0.00 55.36 56.71 2k3a s GLN 56 Cb 0.00 -3.12 1.34 0.00 1.00 0.00 0.00 33.01 32.23 2k3a s GLN 56 CO 0.00 0.49 2.16 0.00 -2.12 0.00 0.00 175.29 175.82 2k3a n THR 58 N -4.45 0.48 0.03 0.00 -2.24 -1.26 -4.20 114.28 102.64 2k3a n THR 58 Ca -0.03 0.05 -0.02 0.00 -2.27 0.00 0.00 64.05 61.77 2k3a n THR 58 Cb 0.09 -0.73 -0.01 0.00 -2.10 0.00 0.00 70.33 67.58 2k3a n THR 58 CO 0.00 0.00 0.00 -0.25 -0.57 0.00 0.00 175.07 174.25 2k3a h TRP 59 N 0.00 -0.15 0.00 4.78 7.01 -1.54 -3.37 115.95 122.69 2k3a h TRP 59 Ca 0.00 -0.00 -0.03 0.00 2.11 0.00 0.00 58.89 60.97 2k3a h TRP 59 Cb 0.46 0.05 -0.00 0.00 -2.10 0.00 0.00 29.16 27.56 2k3a h TRP 59 CO 0.00 -0.09 -0.12 0.10 -2.79 0.00 0.00 178.44 175.54 2k3a h TYR 60 N -0.77 0.00 -0.19 2.65 -0.00 -1.73 -2.73 116.97 114.19 2k3a h TYR 60 Ca -0.02 0.00 -0.01 0.00 0.00 0.00 0.00 58.73 58.71 2k3a h TYR 60 Cb 0.12 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 36.84 2k3a h TYR 60 CO 0.01 0.12 0.09 0.28 -0.00 0.00 0.00 178.16 178.66 2k3a h VAL 61 N 0.00 1.07 -0.46 -0.90 2.07 -1.73 -2.58 116.25 113.72 2k3a h VAL 61 Ca -0.00 -0.20 -0.02 0.00 0.82 0.00 0.00 66.70 67.30 2k3a h VAL 61 Cb 0.28 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 2k3a h VAL 61 CO 0.02 0.08 0.20 0.22 0.02 0.00 0.00 177.57 178.11 2k3a h TYR 62 N 0.26 0.67 -0.64 1.57 3.20 -1.65 -0.67 116.97 119.72 2k3a h TYR 62 Ca 0.07 -0.04 -0.06 0.00 3.14 0.00 0.00 58.73 61.83 2k3a h TYR 62 Cb 0.03 -0.21 -0.03 0.00 1.54 0.00 0.00 36.73 38.07 2k3a h TYR 62 CO 0.00 0.56 0.15 0.22 -1.64 0.00 0.00 178.16 177.45 2k3a h ASP 63 N 0.59 0.97 -0.18 -2.11 1.82 -1.66 -0.16 116.42 115.70 2k3a h ASP 63 Ca 0.15 -0.24 -0.02 0.00 -0.39 0.00 0.00 57.03 56.53 2k3a h ASP 63 Cb 0.15 -0.26 -0.01 0.00 0.68 0.00 0.00 39.33 39.89 2k3a h ASP 63 CO -0.02 0.96 0.05 0.11 -1.61 0.00 0.00 179.24 178.73 2k3a h LYS 64 N 0.95 0.36 -0.43 0.28 1.79 -1.06 -2.37 116.57 116.08 2k3a h LYS 64 Ca 0.20 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.62 2k3a h LYS 64 Cb 0.37 -0.07 0.00 0.00 -1.58 0.00 0.00 32.23 30.95 2k3a h LYS 64 CO 0.00 0.35 0.00 1.55 -1.08 0.00 0.00 179.45 180.27 2k3a n VAL 65 N -4.38 0.56 -0.98 0.50 3.14 -0.30 -4.94 118.33 111.94 2k3a n VAL 65 Ca 0.01 -0.69 0.00 0.00 -2.96 0.00 0.00 64.34 60.69 2k3a n VAL 65 Cb 0.17 0.65 0.00 0.00 -1.06 0.00 0.00 33.84 33.60 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 1.42 0.38 2.95 7.55 0.00 -0.89 -3.50 105.19 113.10 2k3a n GLY 66 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 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 -1.75 0.63 0.45 -0.02 0.00 -0.11 -4.80 105.19 99.59 2k3a n GLY 67 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.08 1.00 -0.06 1.61 3.02 -1.23 -1.94 115.26 117.58 2k3a n ASN 68 Ca 0.00 -2.04 -0.06 0.00 -0.03 0.00 0.00 54.58 52.46 2k3a n ASN 68 Cb 0.04 -0.40 -0.11 0.00 -0.61 0.00 0.00 39.78 38.70 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 -0.07 0.86 -0.76 2.41 -5.35 -1.26 -4.79 119.36 110.41 2k3a n ILE 69 Ca 0.01 -0.57 0.00 0.00 -0.27 0.00 0.00 62.75 61.93 2k3a n ILE 69 Cb 0.24 -0.56 0.00 0.00 -1.74 0.00 0.00 39.64 37.58 2k3a n ILE 69 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2k3a n GLY 70 N 2.10 -1.40 3.57 3.28 0.00 -1.19 -4.86 105.19 106.70 2k3a n GLY 70 Ca -0.21 -0.59 -0.32 0.00 0.00 0.00 0.00 46.02 44.90 2k3a n GLY 70 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2k3a s SER 71 N 0.00 5.59 0.00 1.61 1.04 -1.26 -4.24 113.70 116.43 2k3a s SER 71 Ca 0.00 -1.54 0.00 0.00 0.48 0.00 0.00 55.95 54.89 2k3a s SER 71 Cb 0.00 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.54 2k3a s SER 71 CO 0.00 -2.43 0.52 1.07 0.98 0.00 0.00 173.24 173.38 2k3a n THR 72 N 7.44 0.00 1.31 2.02 5.66 -1.26 -4.13 114.28 125.32 2k3a n THR 72 Ca 0.43 0.00 0.13 0.00 -3.05 0.00 0.00 64.05 61.56 2k3a n THR 72 Cb 0.47 0.16 0.43 0.00 -1.55 0.00 0.00 70.33 69.84 2k3a n THR 72 CO 0.00 0.00 0.00 0.79 -3.05 0.00 0.00 175.07 172.81 2k3a n TRP 73 N 0.00 0.00 -3.31 1.09 8.01 -1.26 -5.04 117.44 116.93 2k3a n TRP 73 Ca 0.00 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.19 2k3a n TRP 73 Cb 0.54 -0.11 0.00 0.00 -2.01 0.00 0.00 31.31 29.73 2k3a n TRP 73 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 2k3a n GLY 74 N 1.30 1.08 3.77 6.99 0.00 -1.26 -4.35 105.19 112.72 2k3a n GLY 74 Ca 0.14 -0.73 -0.33 0.00 0.00 0.00 0.00 46.02 45.10 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 5.13 0.47 1.61 -0.87 -1.26 -4.90 114.94 111.12 2k3a s ASN 75 Ca 0.00 1.97 0.17 0.00 -1.57 0.00 0.00 52.86 53.42 2k3a s ASN 75 Cb 0.00 -2.55 1.15 0.00 -0.02 0.00 0.00 41.25 39.84 2k3a s ASN 75 CO 0.00 -1.61 2.02 0.00 -2.57 0.00 0.00 177.10 174.94 2k3a h ALA 76 N -0.02 2.11 -0.35 0.60 0.00 -1.64 -0.41 119.26 119.55 2k3a h ALA 76 Ca -0.46 -0.01 0.10 0.00 0.00 0.00 0.00 54.91 54.53 2k3a h ALA 76 Cb 1.24 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 2k3a h ALA 76 CO 0.54 -0.22 0.28 -0.91 0.00 0.00 0.00 179.25 178.94 2k3a h ASN 77 N 0.24 0.00 0.55 0.00 2.35 -1.70 -2.17 115.58 114.86 2k3a h ASN 77 Ca 0.21 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.96 2k3a h ASN 77 Cb 0.52 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.89 2k3a h ASN 77 CO -0.04 0.00 -1.10 -3.20 -1.65 0.00 0.00 177.43 171.44 2k3a n ASN 78 N -4.21 0.60 0.03 5.81 5.15 -0.17 -4.63 115.26 117.84 2k3a n ASN 78 Ca 0.05 -0.03 -0.06 0.00 -0.60 0.00 0.00 54.58 53.94 2k3a n ASN 78 Cb 0.45 0.80 -0.04 0.00 -0.53 0.00 0.00 39.78 40.46 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 -0.63 -0.53 1.20 4.06 -1.37 0.22 115.95 118.90 2k3a h TRP 79 Ca 0.00 0.02 0.07 0.00 2.06 0.00 0.00 58.89 61.04 2k3a h TRP 79 Cb 0.83 0.27 -0.03 0.00 -1.00 0.00 0.00 29.16 29.23 2k3a h TRP 79 CO 0.00 -0.23 0.36 0.00 -3.56 0.00 0.00 178.44 175.00 2k3a h ALA 80 N -1.09 1.92 -0.11 1.49 0.00 -1.82 0.76 119.26 120.41 2k3a h ALA 80 Ca 0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 2k3a h ALA 80 Cb 0.29 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 2k3a h ALA 80 CO -0.14 -0.02 -0.02 1.03 0.00 0.00 0.00 179.25 180.10 2k3a h SER 81 N 0.44 0.21 -0.81 0.00 0.87 -1.73 -2.18 113.55 110.36 2k3a h SER 81 Ca 0.23 -0.36 -0.03 0.00 -1.23 0.00 0.00 61.79 60.40 2k3a h SER 81 Cb 0.35 -0.06 -0.04 0.00 -0.44 0.00 0.00 62.40 62.22 2k3a h SER 81 CO -0.06 0.52 0.39 0.00 -0.53 0.00 0.00 176.83 177.15 2k3a h ALA 82 N 0.69 1.05 -0.03 6.23 0.00 -0.13 -0.04 119.26 127.02 2k3a h ALA 82 Ca 0.03 -0.16 0.04 0.00 0.00 0.00 0.00 54.91 54.81 2k3a h ALA 82 Cb 0.43 -0.32 -0.05 0.00 0.00 0.00 0.00 17.79 17.85 2k3a h ALA 82 CO 0.01 0.61 -0.25 0.00 0.00 0.00 0.00 179.25 179.62 2k3a h ALA 83 N 1.20 -0.32 -0.94 0.00 0.00 -0.84 0.22 119.26 118.58 2k3a h ALA 83 Ca 0.28 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 2k3a h ALA 83 Cb 0.13 0.46 -0.05 0.00 0.00 0.00 0.00 17.79 18.33 2k3a h ALA 83 CO -0.03 -0.75 0.55 1.03 0.00 0.00 0.00 179.25 180.05 2k3a h SER 84 N -0.37 1.14 0.22 0.00 0.87 -1.15 0.14 113.55 114.40 2k3a h SER 84 Ca 0.07 -0.08 -0.03 0.00 -1.23 0.00 0.00 61.79 60.53 2k3a h SER 84 Cb 0.47 -0.29 -0.00 0.00 -0.44 0.00 0.00 62.40 62.14 2k3a h SER 84 CO -0.25 0.89 -0.14 -1.28 -0.53 0.00 0.00 176.83 175.52 2k3a h SER 85 N 1.30 0.00 0.65 6.23 0.87 -0.42 -1.84 113.55 120.35 2k3a h SER 85 Ca 0.34 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.90 2k3a h SER 85 Cb -0.03 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.93 2k3a h SER 85 CO -0.06 0.14 -0.56 0.00 -0.53 0.00 0.00 176.83 175.81 2k3a n ALA 86 N -2.40 3.25 -0.00 6.23 0.00 0.71 -4.95 120.51 123.34 2k3a n ALA 86 Ca -0.02 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.11 2k3a n ALA 86 Cb 0.22 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 18.53 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 1.43 0.88 3.64 0.00 0.00 -0.46 -5.07 105.19 105.60 2k3a n GLY 87 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.00 1.02 -0.76 1.61 1.51 0.38 -4.97 117.35 114.15 2k3a s TYR 88 Ca 0.00 0.62 -0.13 0.00 -1.01 0.00 0.00 57.07 56.54 2k3a s TYR 88 Cb 0.00 -3.44 0.20 0.00 -0.11 0.00 0.00 41.96 38.61 2k3a s TYR 88 CO 0.00 -3.53 0.69 0.99 -1.11 0.00 0.00 175.55 172.59 2k3a s THR 89 N -3.05 5.38 -0.73 -0.71 2.01 -1.15 -4.50 115.64 112.90 2k3a s THR 89 Ca 0.69 -2.32 -0.15 0.00 0.31 0.00 0.00 61.69 60.22 2k3a s THR 89 Cb -0.12 -4.36 0.19 0.00 0.01 0.00 0.00 72.50 68.22 2k3a s THR 89 CO 0.56 -0.99 0.68 -0.69 -0.69 0.00 0.00 174.62 173.50 2k3a s VAL 90 N 0.42 5.46 0.36 3.82 1.01 -1.26 -0.12 120.40 130.09 2k3a s VAL 90 Ca 0.15 -2.12 0.07 0.00 0.00 0.00 0.00 61.98 60.08 2k3a s VAL 90 Cb -0.15 -4.43 -0.07 0.00 0.00 0.00 0.00 36.38 31.73 2k3a s VAL 90 CO -0.06 -0.98 -0.01 0.20 0.00 0.00 0.00 175.10 174.24 2k3a s ASN 91 N 2.67 3.38 0.00 3.32 0.01 -0.10 -4.88 114.94 119.34 2k3a s ASN 91 Ca 0.13 -1.31 0.16 0.00 -0.71 0.00 0.00 52.86 51.13 2k3a s ASN 91 Cb -0.17 -0.29 0.68 0.00 0.41 0.00 0.00 41.25 41.88 2k3a s ASN 91 CO -0.05 -0.42 1.48 0.59 -1.51 0.00 0.00 177.10 177.20 2k3a n ASN 92 N -0.82 1.14 -4.60 -1.22 4.13 -1.26 -0.48 115.26 112.15 2k3a n ASN 92 Ca -0.04 -1.72 -0.42 0.00 1.68 0.00 0.00 54.58 54.07 2k3a n ASN 92 Cb 0.66 -0.09 -0.03 0.00 -1.54 0.00 0.00 39.78 38.77 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 -1.41 5.66 0.00 6.41 0.01 -1.26 -4.78 113.70 118.33 2k3a s SER 93 Ca 0.26 1.44 0.04 0.00 1.31 0.00 0.00 55.95 59.00 2k3a s SER 93 Cb 0.14 -2.52 0.21 0.00 0.21 0.00 0.00 66.02 64.06 2k3a s SER 93 CO 0.21 -1.87 1.09 -2.65 0.41 0.00 0.00 173.24 170.43 2k3a n PRO 94 N 8.59 0.96 -1.62 12.44 -0.02 -1.26 -4.79 135.00 149.30 2k3a n PRO 94 Ca 0.26 0.00 -0.40 0.00 -2.02 0.00 0.00 63.50 61.33 2k3a n PRO 94 Cb 0.47 -1.06 0.02 0.00 -0.02 0.00 0.00 33.50 32.91 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 -0.56 1.31 -1.72 -0.52 4.07 -1.26 -4.83 120.64 117.13 2k3a n GLU 95 Ca 0.03 0.48 -0.41 0.00 -0.06 0.00 0.00 57.16 57.19 2k3a n GLU 95 Cb 0.01 -2.13 0.01 0.00 -0.06 0.00 0.00 31.44 29.27 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 -0.80 1.59 -0.67 4.31 0.00 -1.26 -4.12 120.51 119.55 2k3a n ALA 96 Ca 0.10 0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.83 2k3a n ALA 96 Cb 0.42 -2.31 0.00 0.00 0.00 0.00 0.00 19.45 17.56 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 0.71 0.72 3.65 0.00 0.00 -1.08 -5.07 105.19 104.12 2k3a n GLY 97 Ca 0.05 -0.42 -0.08 0.00 0.00 0.00 0.00 46.02 45.57 2k3a n GLY 97 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2k3a s SER 98 N -2.11 -0.34 -0.15 1.61 0.15 -1.26 -4.63 113.70 106.97 2k3a s SER 98 Ca 0.00 -0.28 0.00 0.00 0.70 0.00 0.00 55.95 56.38 2k3a s SER 98 Cb 0.00 0.57 -0.00 0.00 -1.71 0.00 0.00 66.02 64.88 2k3a s SER 98 CO 0.00 -1.00 -0.16 -0.63 1.20 0.00 0.00 173.24 172.66 2k3a s ILE 99 N -3.56 2.63 -0.17 6.45 1.01 -0.88 -0.92 121.20 125.75 2k3a s ILE 99 Ca 0.07 -0.78 -0.10 0.00 0.00 0.00 0.00 60.65 59.84 2k3a s ILE 99 Cb -0.03 -2.10 -0.05 0.00 0.01 0.00 0.00 42.46 40.29 2k3a s ILE 99 CO -0.03 0.52 0.16 -1.48 0.00 0.00 0.00 174.94 174.11 2k3a s LEU 100 N 0.82 4.27 -0.16 2.97 2.34 -0.99 -0.48 118.68 127.45 2k3a s LEU 100 Ca -0.05 0.35 -0.07 0.00 0.06 0.00 0.00 54.13 54.41 2k3a s LEU 100 Cb -0.15 -2.13 -0.04 0.00 -0.56 0.00 0.00 46.19 43.31 2k3a s LEU 100 CO -0.00 0.24 0.09 -1.58 -1.06 0.00 0.00 176.35 174.04 2k3a s GLN 101 N -0.07 3.81 -0.26 1.48 0.74 0.34 -3.31 119.66 122.40 2k3a s GLN 101 Ca 0.11 -0.28 0.01 0.00 0.05 0.00 0.00 55.36 55.26 2k3a s GLN 101 Cb -0.12 -3.21 0.07 0.00 1.10 0.00 0.00 33.01 30.85 2k3a s GLN 101 CO 0.01 0.43 -0.04 0.45 -0.55 0.00 0.00 175.29 175.59 2k3a s SER 102 N -0.07 4.10 0.21 6.67 0.15 0.22 -3.06 113.70 121.92 2k3a s SER 102 Ca 0.08 -1.38 0.26 0.00 0.70 0.00 0.00 55.95 55.60 2k3a s SER 102 Cb -0.12 -1.28 0.85 0.00 -1.71 0.00 0.00 66.02 63.75 2k3a s SER 102 CO 0.01 -0.26 1.77 0.35 1.20 0.00 0.00 173.24 176.31 2k3a n THR 103 N 4.58 0.61 0.22 6.45 -2.24 -1.26 -0.20 114.28 122.44 2k3a n THR 103 Ca -0.10 -0.20 0.07 0.00 -2.27 0.00 0.00 64.05 61.55 2k3a n THR 103 Cb 0.43 -0.67 0.50 0.00 -2.10 0.00 0.00 70.33 68.50 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 2.50 1.36 0.00 6.98 0.00 -1.96 -3.36 119.26 124.79 2k3a h ALA 104 Ca 0.00 -0.23 -0.49 0.00 0.00 0.00 0.00 54.91 54.19 2k3a h ALA 104 Cb 0.68 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.43 2k3a h ALA 104 CO 0.00 0.32 2.58 0.41 0.00 0.00 0.00 179.25 182.56 2k3a n GLY 105 N -0.55 3.66 5.02 0.00 0.00 -1.24 -4.87 105.19 107.20 2k3a n GLY 105 Ca -0.02 -1.26 0.00 0.00 0.00 0.00 0.00 46.02 44.74 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 3.36 0.25 0.87 -0.02 0.00 -1.26 -1.12 105.19 107.26 2k3a n GLY 106 Ca 0.62 0.74 0.07 0.00 0.00 0.00 0.00 46.02 47.45 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 0.00 0.66 0.00 1.61 4.02 -1.26 -4.96 117.16 117.23 2k3a n TYR 107 Ca 0.00 -0.31 0.00 0.00 -0.01 0.00 0.00 57.90 57.58 2k3a n TYR 107 Cb 0.00 -0.04 0.00 0.00 -0.02 0.00 0.00 39.34 39.28 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 1.12 -0.92 2.87 2.72 0.00 -0.28 -1.93 105.19 108.77 2k3a n GLY 108 Ca 0.15 -1.62 -0.13 0.00 0.00 0.00 0.00 46.02 44.42 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 -2.69 -0.02 0.00 1.61 2.46 0.72 -4.59 115.29 112.78 2k3a s HIS 109 Ca 0.00 0.11 0.01 0.00 0.47 0.00 0.00 55.06 55.64 2k3a s HIS 109 Cb 0.00 -0.05 -0.01 0.00 -0.13 0.00 0.00 32.58 32.40 2k3a s HIS 109 CO 0.00 -0.04 -0.02 0.14 -2.47 0.00 0.00 174.74 172.35 2k3a s VAL 110 N 0.31 0.16 0.20 0.89 -7.23 -1.26 -0.61 120.40 112.85 2k3a s VAL 110 Ca -0.02 -0.25 -0.08 0.00 -1.81 0.00 0.00 61.98 59.82 2k3a s VAL 110 Cb -0.04 -0.17 -0.02 0.00 0.56 0.00 0.00 36.38 36.72 2k3a s VAL 110 CO -0.01 -0.06 0.30 0.00 -0.31 0.00 0.00 175.10 175.02 2k3a s ALA 111 N -0.31 0.26 -0.16 1.32 0.00 -1.21 -4.72 121.76 116.93 2k3a s ALA 111 Ca -0.02 -1.12 -0.08 0.00 0.00 0.00 0.00 51.96 50.74 2k3a s ALA 111 Cb -0.02 1.07 -0.04 0.00 0.00 0.00 0.00 23.12 24.12 2k3a s ALA 111 CO -0.00 -0.70 0.11 -0.47 0.00 0.00 0.00 175.76 174.70 2k3a s TYR 112 N -4.04 3.41 -0.46 0.00 5.04 -1.22 -2.34 117.35 117.75 2k3a s TYR 112 Ca 0.25 0.32 -0.29 0.00 -2.44 0.00 0.00 57.07 54.91 2k3a s TYR 112 Cb 0.03 -2.05 0.02 0.00 0.35 0.00 0.00 41.96 40.32 2k3a s TYR 112 CO 0.06 0.41 1.23 0.08 -1.34 0.00 0.00 175.55 175.99 2k3a s VAL 113 N -0.15 4.11 -0.07 3.14 1.01 -0.10 -0.84 120.40 127.50 2k3a s VAL 113 Ca 0.09 1.13 -0.22 0.00 0.00 0.00 0.00 61.98 62.99 2k3a s VAL 113 Cb -0.12 -4.48 -0.17 0.00 0.00 0.00 0.00 36.38 31.61 2k3a s VAL 113 CO 0.01 -0.93 0.84 -0.33 0.00 0.00 0.00 175.10 174.68 2k3a h GLU 114 N 9.69 -0.12 -2.31 2.72 4.39 -1.14 -2.85 114.58 124.95 2k3a h GLU 114 Ca -0.24 0.01 -0.07 0.00 0.34 0.00 0.00 59.36 59.39 2k3a h GLU 114 Cb 1.07 0.03 -0.21 0.00 -0.10 0.00 0.00 28.75 29.54 2k3a h GLU 114 CO 1.11 0.39 0.00 1.21 -1.16 0.00 0.00 179.01 180.57 2k3a s ASN 115 N -5.66 -0.58 -0.11 1.42 2.47 -1.07 -4.70 114.94 106.72 2k3a s ASN 115 Ca -0.13 0.97 -0.01 0.00 0.42 0.00 0.00 52.86 54.11 2k3a s ASN 115 Cb -0.00 0.96 -0.03 0.00 -1.45 0.00 0.00 41.25 40.74 2k3a s ASN 115 CO 0.51 -0.32 -0.07 -0.69 -3.72 0.00 0.00 177.10 172.80 2k3a s VAL 116 N -0.21 3.64 0.29 -5.21 1.01 -1.26 -0.84 120.40 117.82 2k3a s VAL 116 Ca -0.04 -0.48 -0.05 0.00 0.00 0.00 0.00 61.98 61.41 2k3a s VAL 116 Cb -0.03 -2.53 -0.05 0.00 0.00 0.00 0.00 36.38 33.77 2k3a s VAL 116 CO 0.03 0.55 0.56 0.20 0.00 0.00 0.00 175.10 176.44 2k3a s ASN 117 N -0.23 6.45 0.61 3.32 0.01 -0.48 -4.98 114.94 119.63 2k3a s ASN 117 Ca 0.03 0.72 0.32 0.00 -0.71 0.00 0.00 52.86 53.22 2k3a s ASN 117 Cb -0.13 -2.15 1.90 0.00 0.41 0.00 0.00 41.25 41.28 2k3a s ASN 117 CO 0.03 -0.20 2.24 0.28 -1.51 0.00 0.00 177.10 177.94 2k3a h SER 118 N 1.67 0.00 0.64 -1.22 0.02 -2.00 0.89 113.55 113.55 2k3a h SER 118 Ca -0.48 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.47 2k3a h SER 118 Cb 1.19 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.73 2k3a h SER 118 CO 0.66 0.00 0.00 0.47 -1.14 0.00 0.00 176.83 176.82 2k3a n ASP 119 N -3.68 0.22 0.00 3.07 8.00 -1.26 -4.88 116.55 118.03 2k3a n ASP 119 Ca -0.02 0.55 0.00 0.00 0.71 0.00 0.00 54.79 56.03 2k3a n ASP 119 Cb 0.13 -0.60 0.00 0.00 -0.02 0.00 0.00 41.12 40.63 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 0.17 2.66 3.70 0.44 0.00 0.31 -4.82 105.19 107.64 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 -1.25 6.61 -0.19 1.61 0.01 -1.26 -3.88 113.70 115.35 2k3a s SER 121 Ca 0.00 2.51 -0.08 0.00 1.31 0.00 0.00 55.95 59.69 2k3a s SER 121 Cb 0.00 -2.57 -0.04 0.00 0.21 0.00 0.00 66.02 63.62 2k3a s SER 121 CO 0.00 -0.86 0.07 -0.69 0.41 0.00 0.00 173.24 172.17 2k3a s VAL 122 N 2.22 4.87 -0.33 3.43 1.01 -0.52 -1.39 120.40 129.69 2k3a s VAL 122 Ca 0.73 -0.00 -0.09 0.00 0.00 0.00 0.00 61.98 62.61 2k3a s VAL 122 Cb -0.41 -3.20 0.01 0.00 0.00 0.00 0.00 36.38 32.79 2k3a s VAL 122 CO 0.32 0.46 0.14 -1.61 0.00 0.00 0.00 175.10 174.41 2k3a s GLU 123 N 0.39 3.02 0.29 2.72 2.02 -0.02 -0.18 118.70 126.94 2k3a s GLU 123 Ca 0.04 -0.93 0.07 0.00 0.02 0.00 0.00 54.97 54.17 2k3a s GLU 123 Cb -0.12 -3.55 -0.03 0.00 0.10 0.00 0.00 34.13 30.52 2k3a s GLU 123 CO -0.00 -0.54 0.21 0.14 0.02 0.00 0.00 175.26 175.09 2k3a s VAL 124 N 1.54 3.91 -0.08 2.63 -7.23 -0.55 -0.55 120.40 120.07 2k3a s VAL 124 Ca 0.02 -1.46 0.03 0.00 -1.81 0.00 0.00 61.98 58.77 2k3a s VAL 124 Cb -0.18 -3.24 -0.01 0.00 0.56 0.00 0.00 36.38 33.51 2k3a s VAL 124 CO 0.05 -0.27 -0.19 -0.94 -0.31 0.00 0.00 175.10 173.44 2k3a s SER 125 N -3.89 3.55 0.10 4.85 1.04 -0.02 -0.74 113.70 118.59 2k3a s SER 125 Ca 0.36 -0.40 0.06 0.00 0.48 0.00 0.00 55.95 56.45 2k3a s SER 125 Cb -0.07 -1.15 -0.03 0.00 0.10 0.00 0.00 66.02 64.87 2k3a s SER 125 CO 0.25 0.23 -0.15 -1.61 0.98 0.00 0.00 173.24 172.94 2k3a s GLU 126 N -0.05 0.94 -0.43 4.02 2.02 -0.24 -3.46 118.70 121.50 2k3a s GLU 126 Ca -0.05 -1.10 -0.20 0.00 0.02 0.00 0.00 54.97 53.63 2k3a s GLU 126 Cb -0.14 -0.92 0.02 0.00 0.10 0.00 0.00 34.13 33.19 2k3a s GLU 126 CO 0.04 0.19 0.63 1.41 0.02 0.00 0.00 175.26 177.56 2k3a s MET 127 N -2.18 3.29 -1.16 1.61 -2.45 -1.26 0.23 119.30 117.38 2k3a s MET 127 Ca 0.04 -0.37 -0.18 0.00 -1.25 0.00 0.00 55.69 53.92 2k3a s MET 127 Cb -0.08 -3.94 -0.04 0.00 1.25 0.00 0.00 34.83 32.02 2k3a s MET 127 CO 0.03 -0.99 2.01 -1.71 1.05 0.00 0.00 175.02 175.41 2k3a n ASN 128 N 6.21 3.46 0.34 1.11 2.85 -0.87 -4.73 115.26 123.62 2k3a n ASN 128 Ca -0.02 -2.78 0.23 0.00 -0.11 0.00 0.00 54.58 51.90 2k3a n ASN 128 Cb 0.48 -1.49 1.22 0.00 1.24 0.00 0.00 39.78 41.23 2k3a n ASN 128 CO 0.00 0.00 0.00 0.10 -2.11 0.00 0.00 177.26 175.25 2k3a h TYR 129 N 7.36 0.00 -0.43 1.20 -0.00 -1.86 0.56 116.97 123.80 2k3a h TYR 129 Ca 0.46 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 59.19 2k3a h TYR 129 Cb 0.72 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.45 2k3a h TYR 129 CO 1.35 0.00 0.00 0.27 -0.00 0.00 0.00 178.16 179.78 2k3a n ASN 130 N -3.10 3.61 0.10 0.10 6.94 -1.26 -4.33 115.26 117.31 2k3a n ASN 130 Ca -0.03 -2.39 0.00 0.00 -0.02 0.00 0.00 54.58 52.14 2k3a n ASN 130 Cb 0.07 -0.51 0.00 0.00 -2.36 0.00 0.00 39.78 36.98 2k3a n ASN 130 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2k3a n GLY 131 N 0.75 -1.07 2.91 4.83 0.00 -0.43 -5.04 105.19 107.14 2k3a n GLY 131 Ca 0.18 0.18 -0.29 0.00 0.00 0.00 0.00 46.02 46.08 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 -2.33 2.49 0.47 -0.02 0.00 0.18 -4.99 107.32 103.12 2k3a s GLY 132 Ca 0.00 -3.35 0.26 0.00 0.00 0.00 0.00 44.72 41.63 2k3a s GLY 132 CO 0.00 1.10 1.78 -2.55 0.00 0.00 0.00 173.10 173.42 2k3a h PRO 133 N 6.21 0.00 0.00 2.90 0.11 -1.75 -0.38 132.00 139.09 2k3a h PRO 133 Ca -0.01 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.10 2k3a h PRO 133 Cb 0.86 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.97 2k3a h PRO 133 CO 0.67 0.00 -0.07 1.19 -0.21 0.00 0.00 178.00 179.59 2k3a n PHE 134 N -2.52 0.00 -4.32 0.65 3.72 -1.26 -4.78 117.46 108.95 2k3a n PHE 134 Ca -0.02 -0.67 -0.26 0.00 -0.05 0.00 0.00 57.45 56.45 2k3a n PHE 134 Cb 0.19 -0.10 -0.13 0.00 -0.94 0.00 0.00 39.48 38.51 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 -1.95 2.82 -0.18 4.37 0.15 -0.15 -5.08 113.70 113.67 2k3a s SER 135 Ca 0.17 -0.71 -0.04 0.00 0.70 0.00 0.00 55.95 56.08 2k3a s SER 135 Cb 0.15 -0.17 -0.02 0.00 -1.71 0.00 0.00 66.02 64.27 2k3a s SER 135 CO 0.02 0.10 -0.04 -0.69 1.20 0.00 0.00 173.24 173.83 2k3a s VAL 136 N -1.13 3.70 0.37 4.45 1.01 -1.26 -2.06 120.40 125.48 2k3a s VAL 136 Ca 0.09 -0.41 0.08 0.00 0.00 0.00 0.00 61.98 61.74 2k3a s VAL 136 Cb -0.10 -2.64 -0.03 0.00 0.00 0.00 0.00 36.38 33.60 2k3a s VAL 136 CO 0.05 0.46 0.25 -0.55 0.00 0.00 0.00 175.10 175.31 2k3a s SER 137 N 0.78 4.87 -0.03 3.32 0.15 0.13 -4.90 113.70 118.02 2k3a s SER 137 Ca -0.01 -0.76 -0.03 0.00 0.70 0.00 0.00 55.95 55.84 2k3a s SER 137 Cb -0.15 -0.69 -0.04 0.00 -1.71 0.00 0.00 66.02 63.44 2k3a s SER 137 CO 0.02 -0.45 0.15 -1.61 1.20 0.00 0.00 173.24 172.54 2k3a s GLU 138 N -3.97 3.35 -0.18 5.44 8.01 -1.26 -1.07 118.70 129.02 2k3a s GLU 138 Ca 0.42 -0.32 -0.05 0.00 0.01 0.00 0.00 54.97 55.04 2k3a s GLU 138 Cb -0.02 -3.06 0.07 0.00 -4.31 0.00 0.00 34.13 26.81 2k3a s GLU 138 CO 0.25 0.69 0.12 0.50 0.01 0.00 0.00 175.26 176.83 2k3a s ARG 139 N -1.68 0.09 0.14 1.61 3.52 0.08 -4.95 118.95 117.76 2k3a s ARG 139 Ca 0.23 -0.02 -0.24 0.00 -0.13 0.00 0.00 55.73 55.57 2k3a s ARG 139 Cb -0.12 -1.67 -0.07 0.00 -1.56 0.00 0.00 34.95 31.52 2k3a s ARG 139 CO 0.14 -0.67 0.74 0.99 -0.81 0.00 0.00 175.30 175.69 2k3a s THR 140 N 2.18 4.47 0.10 4.11 2.01 -1.26 -1.47 115.64 125.78 2k3a s THR 140 Ca 0.03 1.62 0.09 0.00 0.31 0.00 0.00 61.69 63.74 2k3a s THR 140 Cb -0.16 -4.10 -0.03 0.00 0.01 0.00 0.00 72.50 68.22 2k3a s THR 140 CO -0.10 0.51 -0.23 -0.63 -0.69 0.00 0.00 174.62 173.48 2k3a s ILE 141 N -1.00 1.86 0.77 1.82 1.01 0.75 -4.98 121.20 121.44 2k3a s ILE 141 Ca 0.35 -1.55 -0.13 0.00 0.00 0.00 0.00 60.65 59.32 2k3a s ILE 141 Cb -0.22 -1.67 0.06 0.00 0.01 0.00 0.00 42.46 40.64 2k3a s ILE 141 CO 0.25 0.03 1.15 -0.44 0.00 0.00 0.00 174.94 175.93 2k3a s SER 142 N -1.82 4.09 0.04 3.58 0.01 -1.26 -1.45 113.70 116.90 2k3a s SER 142 Ca 0.09 2.16 -0.26 0.00 1.31 0.00 0.00 55.95 59.25 2k3a s SER 142 Cb -0.10 -2.56 -0.14 0.00 0.21 0.00 0.00 66.02 63.43 2k3a s SER 142 CO 0.04 -2.32 1.39 0.00 0.41 0.00 0.00 173.24 172.76 2k3a h ALA 143 N -0.78 -1.24 -0.86 1.44 0.00 -1.88 0.50 119.26 116.44 2k3a h ALA 143 Ca -0.46 -0.20 0.06 0.00 0.00 0.00 0.00 54.91 54.32 2k3a h ALA 143 Cb 1.27 0.37 -0.05 0.00 0.00 0.00 0.00 17.79 19.38 2k3a h ALA 143 CO 0.49 -1.17 0.56 0.78 0.00 0.00 0.00 179.25 179.90 2k3a h GLY 144 N -0.91 1.23 1.44 0.00 0.00 -1.94 -0.09 103.07 102.80 2k3a h GLY 144 Ca -0.09 -0.39 -0.11 0.00 0.00 0.00 0.00 47.33 46.74 2k3a h GLY 144 CO 0.14 0.30 -0.23 -2.09 0.00 0.00 0.00 176.54 174.66 2k3a h GLU 145 N 0.98 0.65 -0.17 4.80 4.81 -1.91 -3.03 114.58 120.71 2k3a h GLU 145 Ca 0.37 -0.25 -0.12 0.00 -0.13 0.00 0.00 59.36 59.22 2k3a h GLU 145 Cb 0.18 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.53 2k3a h GLU 145 CO -0.13 0.83 -0.37 0.00 -0.73 0.00 0.00 179.01 178.60 2k3a h ALA 146 N 1.18 0.28 0.00 2.92 0.00 0.78 -3.06 119.26 121.36 2k3a h ALA 146 Ca 0.08 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.55 2k3a h ALA 146 Cb 0.70 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.45 2k3a h ALA 146 CO 0.05 0.36 0.03 1.03 0.00 0.00 0.00 179.25 180.72 2k3a h SER 147 N 0.21 0.00 0.74 0.00 0.87 -0.97 0.06 113.55 114.46 2k3a h SER 147 Ca 0.00 0.00 -0.06 0.00 -1.23 0.00 0.00 61.79 60.51 2k3a h SER 147 Cb 0.97 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.93 2k3a h SER 147 CO 0.08 0.00 -0.27 -1.28 -0.53 0.00 0.00 176.83 174.84 2k3a h SER 148 N 0.00 0.00 -3.60 6.23 0.87 -1.42 -3.45 113.55 112.18 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 0.06 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.02 2k3a h SER 148 CO 0.00 0.27 0.06 -0.31 -0.53 0.00 0.00 176.83 176.32 2k3a s TYR 149 N -3.79 3.47 -0.26 2.24 2.02 0.01 -5.05 117.35 115.99 2k3a s TYR 149 Ca -0.01 0.97 -0.21 0.00 -0.37 0.00 0.00 57.07 57.46 2k3a s TYR 149 Cb 0.11 -2.38 -0.02 0.00 -0.40 0.00 0.00 41.96 39.28 2k3a s TYR 149 CO 0.65 -0.04 0.65 -0.80 -1.57 0.00 0.00 175.55 174.43 2k3a s ASN 150 N -3.12 6.59 -0.31 2.29 0.01 -1.17 -4.69 114.94 114.53 2k3a s ASN 150 Ca 0.50 0.71 -0.12 0.00 -0.71 0.00 0.00 52.86 53.24 2k3a s ASN 150 Cb -0.10 -2.35 -0.03 0.00 0.41 0.00 0.00 41.25 39.18 2k3a s ASN 150 CO 0.30 -0.39 0.20 -0.31 -1.51 0.00 0.00 177.10 175.40 2k3a s TYR 151 N 2.55 3.21 -0.24 2.20 1.51 0.37 -0.50 117.35 126.44 2k3a s TYR 151 Ca 0.27 -0.17 -0.19 0.00 -1.01 0.00 0.00 57.07 55.97 2k3a s TYR 151 Cb -0.15 -2.42 -0.03 0.00 -0.11 0.00 0.00 41.96 39.25 2k3a s TYR 151 CO 0.09 -0.31 0.55 0.42 -1.11 0.00 0.00 175.55 175.19 2k3a s ILE 152 N 1.71 5.05 0.22 2.71 1.09 0.36 -0.93 121.20 131.43 2k3a s ILE 152 Ca 0.06 0.98 0.09 0.00 -1.10 0.00 0.00 60.65 60.68 2k3a s ILE 152 Cb -0.17 -3.86 -0.04 0.00 -1.06 0.00 0.00 42.46 37.32 2k3a s ILE 152 CO 0.10 0.09 -0.05 -1.00 -0.10 0.00 0.00 174.94 173.98 2k3a s HIS 153 N 2.20 2.66 -0.20 3.97 3.76 0.83 -2.08 115.29 126.44 2k3a s HIS 153 Ca 0.23 -0.22 0.10 0.00 -0.15 0.00 0.00 55.06 55.03 2k3a s HIS 153 Cb -0.16 -1.24 -0.19 0.00 1.11 0.00 0.00 32.58 32.11 2k3a s HIS 153 CO 0.09 0.57 -0.04 1.28 -0.85 0.00 0.00 174.74 175.79 2k3a n LEU 154 N -0.44 1.16 0.00 0.89 4.77 -1.26 -2.91 117.00 119.21 2k3a n LEU 154 Ca -0.08 -0.05 0.00 0.00 -0.03 0.00 0.00 56.01 55.85 2k3a n LEU 154 Cb 0.57 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.62 2k3a n LEU 154 CO 0.38 0.62 0.00 0.59 -1.33 0.00 0.00 177.39 177.65