#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 0.39 -0.21 0.03 -0.14 -1.26 -5.16 119.74 113.39 2k3a s LYS 2 Ca 0.00 -0.49 -0.07 0.00 -1.36 0.00 0.00 55.97 54.05 2k3a s LYS 2 Cb 0.00 0.15 0.09 0.00 -1.68 0.00 0.00 37.83 36.40 2k3a s LYS 2 CO 0.00 -0.08 0.45 0.21 -0.76 0.00 0.00 175.35 175.17 2k3a s LYS 3 N -1.39 0.36 0.11 1.68 2.20 -1.26 -5.16 119.74 116.29 2k3a s LYS 3 Ca -0.15 1.09 0.10 0.00 -0.36 0.00 0.00 55.97 56.65 2k3a s LYS 3 Cb -0.09 0.39 -0.04 0.00 -1.51 0.00 0.00 37.83 36.59 2k3a s LYS 3 CO 0.00 -0.24 -0.26 -0.51 -0.36 0.00 0.00 175.35 173.99 2k3a s LEU 4 N 2.59 2.28 -0.19 5.43 1.43 -1.26 -5.16 118.68 123.81 2k3a s LEU 4 Ca -0.03 -0.70 -0.28 0.00 -1.03 0.00 0.00 54.13 52.10 2k3a s LEU 4 Cb -0.12 -1.18 0.09 0.00 0.03 0.00 0.00 46.19 45.01 2k3a s LEU 4 CO -0.14 0.18 0.79 0.54 0.23 0.00 0.00 176.35 177.95 2k3a s VAL 5 N -1.01 0.00 -0.66 -1.59 0.11 -1.26 -5.11 120.40 110.87 2k3a s VAL 5 Ca 0.12 0.00 -0.18 0.00 -2.93 0.00 0.00 61.98 59.00 2k3a s VAL 5 Cb -0.10 -1.00 0.13 0.00 -1.53 0.00 0.00 36.38 33.88 2k3a s VAL 5 CO 0.05 0.00 0.73 -0.89 -3.33 0.00 0.00 175.10 171.66 2k3a s THR 6 N -0.32 5.01 -2.15 5.04 2.01 -1.26 -4.93 115.64 119.03 2k3a s THR 6 Ca -0.03 -1.40 0.24 0.00 0.31 0.00 0.00 61.69 60.81 2k3a s THR 6 Cb -0.03 -4.50 0.60 0.00 0.01 0.00 0.00 72.50 68.58 2k3a s THR 6 CO 0.03 -1.12 1.79 0.00 -0.69 0.00 0.00 174.62 174.63 2k3a n ALA 7 N 5.78 2.60 -1.32 7.40 0.00 -1.26 -4.91 120.51 128.81 2k3a n ALA 7 Ca -0.02 -0.29 -0.30 0.00 0.00 0.00 0.00 53.44 52.82 2k3a n ALA 7 Cb 0.44 -1.27 0.10 0.00 0.00 0.00 0.00 19.45 18.71 2k3a n ALA 7 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 2k3a s THR 8 N -1.95 3.15 -0.17 0.00 -1.32 -1.26 -5.08 115.64 109.00 2k3a s THR 8 Ca 0.35 0.37 -0.16 0.00 -1.21 0.00 0.00 61.69 61.05 2k3a s THR 8 Cb 0.17 -2.93 0.05 0.00 -1.51 0.00 0.00 72.50 68.28 2k3a s THR 8 CO 0.28 -0.49 0.46 -0.89 -2.21 0.00 0.00 174.62 171.77 2k3a s THR 9 N -2.97 -0.00 -0.32 5.08 2.01 -1.26 -5.15 115.64 113.03 2k3a s THR 9 Ca 0.61 0.01 -0.08 0.00 0.31 0.00 0.00 61.69 62.54 2k3a s THR 9 Cb -0.17 -0.64 0.02 0.00 0.01 0.00 0.00 72.50 71.71 2k3a s THR 9 CO 0.56 0.00 0.13 -0.76 -0.69 0.00 0.00 174.62 173.86 2k3a s LEU 10 N 0.32 4.19 -0.26 4.42 1.02 -1.26 -5.07 118.68 122.04 2k3a s LEU 10 Ca -0.01 -0.81 0.01 0.00 0.02 0.00 0.00 54.13 53.35 2k3a s LEU 10 Cb -0.03 -1.94 0.07 0.00 0.02 0.00 0.00 46.19 44.31 2k3a s LEU 10 CO -0.00 -0.26 -0.03 -0.89 0.02 0.00 0.00 176.35 175.19 2k3a s THR 11 N 1.52 1.68 -0.28 5.49 2.01 -1.26 -5.09 115.64 119.71 2k3a s THR 11 Ca 0.02 -1.48 -0.25 0.00 0.31 0.00 0.00 61.69 60.28 2k3a s THR 11 Cb -0.18 -2.00 0.16 0.00 0.01 0.00 0.00 72.50 70.49 2k3a s THR 11 CO 0.04 -0.23 1.23 0.00 -0.69 0.00 0.00 174.62 174.97 2k3a s ALA 12 N 1.29 -2.09 0.00 7.40 0.00 -1.26 -5.17 121.76 121.94 2k3a s ALA 12 Ca -0.02 1.77 0.00 0.00 0.00 0.00 0.00 51.96 53.71 2k3a s ALA 12 Cb -0.19 -1.56 0.00 0.00 0.00 0.00 0.00 23.12 21.38 2k3a s ALA 12 CO -0.08 -0.18 0.00 0.41 0.00 0.00 0.00 175.76 175.91 2k3a n GLY 13 N 1.78 0.24 3.65 0.00 0.00 -1.26 -5.17 105.19 104.42 2k3a n GLY 13 Ca -0.11 0.70 -0.35 0.00 0.00 0.00 0.00 46.02 46.26 2k3a n GLY 13 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2k3a s ILE 14 N 0.00 4.39 -0.55 -0.61 2.07 -1.26 -5.07 121.20 120.17 2k3a s ILE 14 Ca 0.00 -0.20 0.04 0.00 -1.41 0.00 0.00 60.65 59.08 2k3a s ILE 14 Cb 0.00 -2.89 0.16 0.00 0.13 0.00 0.00 42.46 39.86 2k3a s ILE 14 CO 0.00 0.56 0.38 -0.83 -1.91 0.00 0.00 174.94 173.13 2k3a s GLY 15 N -0.40 2.11 0.04 1.50 0.00 -1.26 -5.11 107.32 104.20 2k3a s GLY 15 Ca 0.08 -3.12 -0.22 0.00 0.00 0.00 0.00 44.72 41.46 2k3a s GLY 15 CO 0.02 1.49 0.67 0.00 0.00 0.00 0.00 173.10 175.28 2k3a s ALA 16 N -0.53 3.45 -0.30 3.20 0.00 -1.26 -5.04 121.76 121.28 2k3a s ALA 16 Ca 0.25 0.15 -0.02 0.00 0.00 0.00 0.00 51.96 52.34 2k3a s ALA 16 Cb -0.08 -2.85 0.19 0.00 0.00 0.00 0.00 23.12 20.38 2k3a s ALA 16 CO -0.13 0.16 0.77 0.00 0.00 0.00 0.00 175.76 176.56 2k3a s ALA 17 N -0.30 -2.92 0.70 0.00 0.00 -1.26 -5.18 121.76 112.81 2k3a s ALA 17 Ca 0.34 1.35 0.01 0.00 0.00 0.00 0.00 51.96 53.66 2k3a s ALA 17 Cb -0.20 -2.53 0.13 0.00 0.00 0.00 0.00 23.12 20.52 2k3a s ALA 17 CO 0.20 -1.74 0.97 0.96 0.00 0.00 0.00 175.76 176.16 2k3a s ILE 18 N 2.89 2.10 -0.04 0.00 -5.25 -1.26 -5.12 121.20 114.51 2k3a s ILE 18 Ca 0.15 -0.67 0.05 0.00 -0.99 0.00 0.00 60.65 59.19 2k3a s ILE 18 Cb -0.09 -2.43 -0.02 0.00 2.95 0.00 0.00 42.46 42.87 2k3a s ILE 18 CO -0.22 0.00 -0.18 -0.69 -1.79 0.00 0.00 174.94 172.06 2k3a s VAL 19 N -3.08 2.72 -0.30 8.37 1.01 -1.26 -5.11 120.40 122.76 2k3a s VAL 19 Ca 0.66 -0.86 -0.11 0.00 0.00 0.00 0.00 61.98 61.68 2k3a s VAL 19 Cb -0.05 -2.03 0.17 0.00 0.00 0.00 0.00 36.38 34.47 2k3a s VAL 19 CO 0.44 0.58 0.87 -0.83 0.00 0.00 0.00 175.10 176.16 2k3a s GLY 20 N -0.70 -0.48 -0.03 4.51 0.00 -1.26 -5.17 107.32 104.19 2k3a s GLY 20 Ca 0.11 2.62 0.04 0.00 0.00 0.00 0.00 44.72 47.49 2k3a s GLY 20 CO 0.00 3.38 -0.15 1.08 0.00 0.00 0.00 173.10 177.42 2k3a s LEU 21 N 2.73 2.74 0.40 0.66 2.01 -1.26 -5.12 118.68 120.83 2k3a s LEU 21 Ca 0.02 -0.24 -0.24 0.00 0.01 0.00 0.00 54.13 53.68 2k3a s LEU 21 Cb -0.10 -1.57 -0.09 0.00 0.01 0.00 0.00 46.19 44.44 2k3a s LEU 21 CO -0.17 0.32 1.02 -0.62 1.01 0.00 0.00 176.35 177.91 2k3a s ASP 22 N -0.94 6.84 -0.21 2.29 2.15 -1.26 -5.06 116.67 120.49 2k3a s ASP 22 Ca 0.13 1.96 -0.04 0.00 0.43 0.00 0.00 52.55 55.03 2k3a s ASP 22 Cb -0.11 -2.58 0.10 0.00 -0.30 0.00 0.00 42.92 40.04 2k3a s ASP 22 CO 0.02 -0.43 0.31 -1.38 -0.17 0.00 0.00 175.17 173.52 2k3a s HIS 23 N -1.73 -0.57 -0.20 -5.34 -3.43 -1.26 -5.02 115.29 97.74 2k3a s HIS 23 Ca 0.58 0.71 0.15 0.00 -0.80 0.00 0.00 55.06 55.69 2k3a s HIS 23 Cb -0.20 -0.10 0.45 0.00 -1.43 0.00 0.00 32.58 31.31 2k3a s HIS 23 CO 0.25 -0.60 1.35 0.41 -2.00 0.00 0.00 174.74 174.15 2k3a n GLY 24 N 5.35 4.57 3.96 -1.38 0.00 -1.26 -5.04 105.19 111.39 2k3a n GLY 24 Ca -0.05 -1.14 -0.22 0.00 0.00 0.00 0.00 46.02 44.61 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 -2.43 5.64 0.24 1.61 4.22 -1.26 -5.12 114.94 117.84 2k3a s ASN 25 Ca 0.40 0.17 -0.20 0.00 -2.14 0.00 0.00 52.86 51.09 2k3a s ASN 25 Cb 0.35 -1.29 0.07 0.00 1.28 0.00 0.00 41.25 41.65 2k3a s ASN 25 CO 0.04 -0.85 0.95 -1.83 -2.04 0.00 0.00 177.10 173.37 2k3a s GLU 26 N -4.62 1.58 0.01 3.55 -1.05 -1.26 -5.20 118.70 111.72 2k3a s GLU 26 Ca 0.51 -1.00 -0.29 0.00 -0.15 0.00 0.00 54.97 54.04 2k3a s GLU 26 Cb -0.10 0.45 0.11 0.00 -0.44 0.00 0.00 34.13 34.15 2k3a s GLU 26 CO 0.38 -0.74 1.17 0.00 0.95 0.00 0.00 175.26 177.02 2k3a s ALA 27 N -2.36 -2.04 -0.10 -0.84 0.00 -1.26 -5.14 121.76 110.03 2k3a s ALA 27 Ca 0.19 0.64 -0.26 0.00 0.00 0.00 0.00 51.96 52.53 2k3a s ALA 27 Cb -0.03 0.39 -0.03 0.00 0.00 0.00 0.00 23.12 23.45 2k3a s ALA 27 CO 0.07 -0.99 0.82 0.16 0.00 0.00 0.00 175.76 175.82 2k3a s ASP 28 N -2.86 7.06 -0.08 0.00 -4.77 -1.26 -5.05 116.67 109.71 2k3a s ASP 28 Ca 0.13 1.29 -0.11 0.00 -3.30 0.00 0.00 52.55 50.56 2k3a s ASP 28 Cb 0.02 -2.47 -0.05 0.00 -1.09 0.00 0.00 42.92 39.34 2k3a s ASP 28 CO -0.02 -0.27 0.26 0.00 0.70 0.00 0.00 175.17 175.84 2k3a s ALA 29 N 1.45 3.77 0.14 2.11 0.00 -1.26 -5.08 121.76 122.89 2k3a s ALA 29 Ca 0.41 -0.45 -0.25 0.00 0.00 0.00 0.00 51.96 51.67 2k3a s ALA 29 Cb -0.18 -2.19 0.07 0.00 0.00 0.00 0.00 23.12 20.82 2k3a s ALA 29 CO 0.18 0.50 0.83 0.00 0.00 0.00 0.00 175.76 177.27 2k3a s ALA 30 N -0.88 -1.60 -0.61 0.00 0.00 -1.26 -5.03 121.76 112.38 2k3a s ALA 30 Ca 0.19 0.33 0.02 0.00 0.00 0.00 0.00 51.96 52.49 2k3a s ALA 30 Cb -0.14 0.67 0.11 0.00 0.00 0.00 0.00 23.12 23.76 2k3a s ALA 30 CO 0.08 -0.90 0.83 0.39 0.00 0.00 0.00 175.76 176.16 2k3a n GLU 31 N -0.39 1.44 -3.81 0.00 4.71 -1.26 -4.82 120.64 116.51 2k3a n GLU 31 Ca -0.08 -0.45 -0.27 0.00 -0.01 0.00 0.00 57.16 56.34 2k3a n GLU 31 Cb 0.61 -1.47 0.04 0.00 -1.01 0.00 0.00 31.44 29.62 2k3a n GLU 31 CO 0.00 0.00 0.00 1.04 0.09 0.00 0.00 177.13 178.26 2k3a n GLN 32 N 0.15 -5.77 -2.22 3.49 6.02 -1.26 -4.86 117.38 112.92 2k3a n GLN 32 Ca 0.06 0.64 -0.39 0.00 -0.01 0.00 0.00 57.00 57.30 2k3a n GLN 32 Cb 0.48 -5.49 -0.02 0.00 1.02 0.00 0.00 30.24 26.24 2k3a n GLN 32 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 2k3a n THR 33 N -4.63 3.17 -1.92 5.09 -2.24 -1.26 -4.63 114.28 107.85 2k3a n THR 33 Ca -0.05 -3.20 0.00 0.00 -2.27 0.00 0.00 64.05 58.53 2k3a n THR 33 Cb 0.57 -2.33 0.00 0.00 -2.10 0.00 0.00 70.33 66.47 2k3a n THR 33 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 2k3a n GLN 34 N 7.96 -3.83 -1.45 -0.78 -0.06 -1.26 -4.72 117.38 113.24 2k3a n GLN 34 Ca 0.48 2.90 -0.36 0.00 -2.00 0.00 0.00 57.00 58.03 2k3a n GLN 34 Cb 0.45 -3.49 -0.07 0.00 -4.06 0.00 0.00 30.24 23.07 2k3a n GLN 34 CO 0.00 0.00 0.00 -0.35 -0.20 0.00 0.00 177.06 176.51 2k3a n PRO 35 N 1.34 1.25 -2.17 3.69 -0.04 -1.26 -4.91 135.00 132.90 2k3a n PRO 35 Ca 0.00 -1.97 -0.43 0.00 -0.04 0.00 0.00 63.50 61.06 2k3a n PRO 35 Cb 0.00 -3.25 -0.02 0.00 -0.04 0.00 0.00 33.50 30.18 2k3a n PRO 35 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2k3a s THR 36 N 8.50 3.67 -0.37 0.52 2.01 -1.26 -4.30 115.64 124.41 2k3a s THR 36 Ca 0.65 0.67 -0.15 0.00 0.31 0.00 0.00 61.69 63.16 2k3a s THR 36 Cb 0.07 -3.94 0.02 0.00 0.01 0.00 0.00 72.50 68.67 2k3a s THR 36 CO 0.16 -0.62 0.42 -3.20 -0.69 0.00 0.00 174.62 170.69 2k3a n ASN 37 N 9.73 -7.45 0.06 3.53 5.15 -1.26 -5.02 115.26 120.01 2k3a n ASN 37 Ca 0.19 0.62 0.00 0.00 -0.60 0.00 0.00 54.58 54.80 2k3a n ASN 37 Cb 0.48 -4.43 0.00 0.00 -0.53 0.00 0.00 39.78 35.30 2k3a n ASN 37 CO 0.00 0.00 0.00 1.67 1.40 0.00 0.00 177.26 180.33 2k3a n GLN 38 N 0.09 0.00 -3.44 1.20 7.27 -1.26 -5.09 117.38 116.15 2k3a n GLN 38 Ca 0.05 0.00 -0.06 0.00 0.07 0.00 0.00 57.00 57.05 2k3a n GLN 38 Cb 0.39 -0.36 -0.07 0.00 2.41 0.00 0.00 30.24 32.61 2k3a n GLN 38 CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 2k3a s SER 39 N -5.56 -0.30 -0.10 1.69 0.15 -1.26 -5.02 113.70 103.31 2k3a s SER 39 Ca 0.00 0.69 0.07 0.00 0.70 0.00 0.00 55.95 57.41 2k3a s SER 39 Cb 0.00 1.46 -0.11 0.00 -1.71 0.00 0.00 66.02 65.67 2k3a s SER 39 CO 0.00 -0.26 0.00 1.07 1.20 0.00 0.00 173.24 175.25 2k3a n THR 40 N 5.39 0.64 -2.23 6.45 5.66 -1.26 -4.79 114.28 124.14 2k3a n THR 40 Ca -0.05 -0.36 -0.43 0.00 -3.05 0.00 0.00 64.05 60.16 2k3a n THR 40 Cb 0.50 -0.79 0.00 0.00 -1.55 0.00 0.00 70.33 68.49 2k3a n THR 40 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 2k3a n THR 41 N -2.44 3.88 0.53 1.09 -2.24 -1.26 -4.69 114.28 109.14 2k3a n THR 41 Ca -0.16 -3.81 0.13 0.00 -2.27 0.00 0.00 64.05 57.93 2k3a n THR 41 Cb 0.78 -2.47 0.32 0.00 -2.10 0.00 0.00 70.33 66.86 2k3a n THR 41 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 2k3a h GLN 42 N 6.45 0.00 -7.21 -0.78 4.20 -2.03 -3.46 115.11 112.28 2k3a h GLN 42 Ca 0.47 0.00 -0.50 0.00 0.06 0.00 0.00 58.65 58.68 2k3a h GLN 42 Cb 0.72 0.00 0.05 0.00 0.30 0.00 0.00 27.48 28.55 2k3a h GLN 42 CO 1.65 0.00 0.31 0.45 -0.67 0.00 0.00 178.83 180.57 2k3a s SER 43 N -4.83 6.23 -0.34 1.46 0.15 -1.26 -4.57 113.70 110.54 2k3a s SER 43 Ca 0.09 1.24 -0.17 0.00 0.70 0.00 0.00 55.95 57.81 2k3a s SER 43 Cb 0.11 -2.38 0.02 0.00 -1.71 0.00 0.00 66.02 62.06 2k3a s SER 43 CO 0.63 -0.77 0.39 0.35 1.20 0.00 0.00 173.24 175.04 2k3a n THR 44 N -2.58 -7.58 -3.50 6.45 -2.24 -1.26 -5.06 114.28 98.50 2k3a n THR 44 Ca 0.04 0.78 -0.16 0.00 -2.27 0.00 0.00 64.05 62.44 2k3a n THR 44 Cb 0.54 -5.37 -0.05 0.00 -2.10 0.00 0.00 70.33 63.36 2k3a n THR 44 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2k3a s SER 45 N -1.79 -0.61 0.00 3.42 1.04 -1.26 -5.06 113.70 109.44 2k3a s SER 45 Ca 0.20 0.49 0.00 0.00 0.48 0.00 0.00 55.95 57.11 2k3a s SER 45 Cb -0.03 0.55 0.00 0.00 0.10 0.00 0.00 66.02 66.63 2k3a s SER 45 CO 0.67 -0.71 0.00 0.61 0.98 0.00 0.00 173.24 174.79 2k3a n GLY 46 N 0.55 0.72 0.00 7.32 0.00 -1.26 -4.97 105.19 107.55 2k3a n GLY 46 Ca -0.18 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.13 2k3a n GLY 46 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2k3a n SER 47 N 1.69 0.00 -3.77 1.61 2.88 -1.26 -5.18 113.62 109.58 2k3a n SER 47 Ca 0.00 -0.73 -0.13 0.00 -1.33 0.00 0.00 58.87 56.68 2k3a n SER 47 Cb 0.00 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.34 2k3a n SER 47 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2k3a s SER 48 N -0.32 -0.28 -0.06 -3.46 1.04 -1.26 -5.10 113.70 104.25 2k3a s SER 48 Ca 0.00 0.54 -0.31 0.00 0.48 0.00 0.00 55.95 56.66 2k3a s SER 48 Cb 0.00 0.54 0.12 0.00 0.10 0.00 0.00 66.02 66.77 2k3a s SER 48 CO 0.00 -0.10 1.16 0.00 0.98 0.00 0.00 173.24 175.28 2k3a s ALA 49 N 0.26 -2.04 -0.58 5.32 0.00 -1.26 -5.11 121.76 118.35 2k3a s ALA 49 Ca -0.01 1.01 -0.26 0.00 0.00 0.00 0.00 51.96 52.70 2k3a s ALA 49 Cb -0.03 0.22 0.04 0.00 0.00 0.00 0.00 23.12 23.35 2k3a s ALA 49 CO -0.01 -0.83 1.07 -0.80 0.00 0.00 0.00 175.76 175.19 2k3a s ASN 50 N -2.60 6.37 0.00 0.00 -0.87 -1.26 -4.89 114.94 111.68 2k3a s ASN 50 Ca 0.11 -0.19 0.18 0.00 -1.57 0.00 0.00 52.86 51.38 2k3a s ASN 50 Cb 0.01 -2.49 1.05 0.00 -0.02 0.00 0.00 41.25 39.80 2k3a s ASN 50 CO -0.04 -1.38 1.49 0.18 -2.57 0.00 0.00 177.10 174.78 2k3a n LEU 51 N 8.00 0.00 0.00 0.60 7.99 -1.26 -4.78 117.00 127.55 2k3a n LEU 51 Ca 0.04 0.05 -0.15 0.00 -0.01 0.00 0.00 56.01 55.94 2k3a n LEU 51 Cb 0.48 -0.05 0.06 0.00 -0.11 0.00 0.00 43.42 43.80 2k3a n LEU 51 CO 0.67 -0.02 0.30 -1.22 -1.51 0.00 0.00 177.39 175.62 2k3a n TYR 52 N -1.05 -2.50 -4.42 -1.77 4.01 -1.26 -5.14 117.16 105.03 2k3a n TYR 52 Ca 0.13 -1.63 -0.24 0.00 -0.16 0.00 0.00 57.90 56.00 2k3a n TYR 52 Cb 0.07 -0.45 -0.11 0.00 -0.31 0.00 0.00 39.34 38.55 2k3a n TYR 52 CO 0.00 0.00 0.00 -0.08 -0.46 0.00 0.00 176.86 176.32 2k3a s THR 53 N -1.87 2.23 0.64 -0.72 -1.32 -1.26 -5.02 115.64 108.32 2k3a s THR 53 Ca 0.48 -2.18 -0.18 0.00 -1.21 0.00 0.00 61.69 58.60 2k3a s THR 53 Cb -0.04 -2.13 -0.02 0.00 -1.51 0.00 0.00 72.50 68.80 2k3a s THR 53 CO 0.31 -0.32 1.24 0.00 -2.21 0.00 0.00 174.62 173.63 2k3a n ALA 54 N -0.16 0.99 0.00 11.08 0.00 -1.26 -3.03 120.51 128.13 2k3a n ALA 54 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.35 2k3a n ALA 54 Cb 0.58 -2.29 0.00 0.00 0.00 0.00 0.00 19.45 17.74 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 0.99 3.24 3.82 0.00 0.00 0.13 -4.92 105.19 108.45 2k3a n GLY 55 Ca 0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.54 4.12 0.57 1.61 -1.52 -1.17 -4.97 119.66 117.75 2k3a s GLN 56 Ca 0.00 0.65 0.25 0.00 -1.95 0.00 0.00 55.36 54.31 2k3a s GLN 56 Cb 0.00 -3.09 1.60 0.00 -0.22 0.00 0.00 33.01 31.30 2k3a s GLN 56 CO 0.00 0.56 2.19 0.00 -0.25 0.00 0.00 175.29 177.79 2k3a h THR 58 N 0.00 0.00 0.38 0.00 1.35 -1.91 -3.31 112.91 109.42 2k3a h THR 58 Ca 0.02 -0.43 -0.01 0.00 -0.55 0.00 0.00 66.41 65.45 2k3a h THR 58 Cb 0.12 1.31 -0.00 0.00 -1.73 0.00 0.00 68.15 67.84 2k3a h THR 58 CO -0.00 0.00 -0.23 -0.25 -0.25 0.00 0.00 175.52 174.79 2k3a h TRP 59 N 0.00 -0.59 0.06 4.73 7.01 -1.41 -2.42 115.95 123.34 2k3a h TRP 59 Ca 0.00 -0.01 -0.24 0.00 2.11 0.00 0.00 58.89 60.75 2k3a h TRP 59 Cb 0.55 0.21 0.00 0.00 -2.10 0.00 0.00 29.16 27.82 2k3a h TRP 59 CO 0.00 -0.35 -1.08 0.10 -2.79 0.00 0.00 178.44 174.32 2k3a h TYR 60 N -0.58 0.51 -0.76 2.65 -0.00 -1.75 -3.32 116.97 113.73 2k3a h TYR 60 Ca -0.04 -0.32 0.02 0.00 -0.00 0.00 0.00 58.73 58.39 2k3a h TYR 60 Cb 0.47 -0.04 -0.04 0.00 -0.00 0.00 0.00 36.73 37.12 2k3a h TYR 60 CO -0.09 1.19 0.49 0.28 -0.00 0.00 0.00 178.16 180.03 2k3a h VAL 61 N 0.14 1.14 -0.75 -0.90 2.07 -1.63 -2.56 116.25 113.75 2k3a h VAL 61 Ca -0.10 -0.33 0.05 0.00 0.82 0.00 0.00 66.70 67.14 2k3a h VAL 61 Cb 1.76 0.08 -0.05 0.00 -1.52 0.00 0.00 31.29 31.57 2k3a h VAL 61 CO 0.18 0.18 0.49 0.22 0.02 0.00 0.00 177.57 178.66 2k3a h TYR 62 N 0.97 0.84 0.04 1.57 3.20 -1.52 -0.09 116.97 121.98 2k3a h TYR 62 Ca 0.30 0.02 -0.23 0.00 3.14 0.00 0.00 58.73 61.95 2k3a h TYR 62 Cb -0.03 -0.28 0.02 0.00 1.54 0.00 0.00 36.73 37.98 2k3a h TYR 62 CO -0.03 0.46 -0.93 0.22 -1.64 0.00 0.00 178.16 176.24 2k3a h ASP 63 N 0.84 0.74 0.27 -2.11 3.58 -1.66 0.24 116.42 118.32 2k3a h ASP 63 Ca 0.32 -0.79 -0.03 0.00 0.42 0.00 0.00 57.03 56.95 2k3a h ASP 63 Cb 0.18 -0.23 -0.00 0.00 1.72 0.00 0.00 39.33 40.99 2k3a h ASP 63 CO -0.10 1.44 -0.15 0.11 -2.88 0.00 0.00 179.24 177.66 2k3a h LYS 64 N 0.13 0.00 -0.17 0.28 1.79 -1.01 -1.31 116.57 116.29 2k3a h LYS 64 Ca -0.13 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.34 2k3a h LYS 64 Cb 1.63 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.28 2k3a h LYS 64 CO 0.18 0.15 0.00 1.55 -1.08 0.00 0.00 179.45 180.25 2k3a n VAL 65 N -3.95 0.21 -1.09 0.50 3.14 -0.10 -4.94 118.33 112.10 2k3a n VAL 65 Ca -0.02 -0.42 -0.03 0.00 -2.96 0.00 0.00 64.34 60.90 2k3a n VAL 65 Cb 0.24 0.63 -0.01 0.00 -1.06 0.00 0.00 33.84 33.64 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 1.24 0.51 2.39 7.55 0.00 -0.49 -2.97 105.19 113.42 2k3a n GLY 66 Ca 0.17 -0.14 -0.08 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.06 0.93 1.25 -0.02 0.00 0.06 -4.89 105.19 101.45 2k3a n GLY 67 Ca -0.03 -0.36 -0.05 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 -0.02 3.20 -4.19 1.61 3.02 -1.16 -4.84 115.26 112.88 2k3a n ASN 68 Ca -0.08 -2.33 -0.19 0.00 -0.03 0.00 0.00 54.58 51.96 2k3a n ASN 68 Cb 0.33 -0.58 -0.12 0.00 -0.61 0.00 0.00 39.78 38.81 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 -0.66 1.21 -0.60 2.41 -4.36 -1.26 -5.08 121.20 112.86 2k3a s ILE 69 Ca 0.11 -1.37 -0.26 0.00 -0.26 0.00 0.00 60.65 58.88 2k3a s ILE 69 Cb 0.09 -1.17 -0.06 0.00 1.25 0.00 0.00 42.46 42.58 2k3a s ILE 69 CO 0.02 -0.21 2.16 -0.83 0.24 0.00 0.00 174.94 176.32 2k3a s GLY 70 N -1.81 -0.19 0.00 6.27 0.00 -1.26 -4.82 107.32 105.52 2k3a s GLY 70 Ca -0.00 -0.44 0.00 0.00 0.00 0.00 0.00 44.72 44.28 2k3a s GLY 70 CO 0.03 3.82 0.92 -1.14 0.00 0.00 0.00 173.10 176.73 2k3a n SER 71 N 14.83 0.00 0.08 1.64 3.41 -1.26 -2.27 113.62 130.04 2k3a n SER 71 Ca 0.32 0.42 0.08 0.00 -0.26 0.00 0.00 58.87 59.43 2k3a n SER 71 Cb 0.52 -0.42 0.37 0.00 -0.26 0.00 0.00 64.21 64.42 2k3a n SER 71 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 2k3a n THR 72 N -1.42 1.11 0.42 6.66 5.66 -1.26 -3.52 114.28 121.93 2k3a n THR 72 Ca 0.00 0.37 -0.17 0.00 -3.05 0.00 0.00 64.05 61.20 2k3a n THR 72 Cb 0.01 -1.27 -0.08 0.00 -1.55 0.00 0.00 70.33 67.44 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 -1.01 0.00 1.09 6.55 -1.86 -3.48 115.95 117.24 2k3a h TRP 73 Ca 0.00 -0.02 0.00 0.00 0.95 0.00 0.00 58.89 59.82 2k3a h TRP 73 Cb 0.21 0.33 0.00 0.00 -0.86 0.00 0.00 29.16 28.84 2k3a h TRP 73 CO 0.00 -0.62 0.00 0.41 -1.05 0.00 0.00 178.44 177.18 2k3a n GLY 74 N -1.11 1.36 3.77 1.49 0.00 -1.23 -4.77 105.19 104.70 2k3a n GLY 74 Ca -0.14 -0.58 -0.41 0.00 0.00 0.00 0.00 46.02 44.90 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 6.51 0.25 1.61 -0.87 -1.26 -4.91 114.94 112.27 2k3a s ASN 75 Ca 0.00 2.87 -0.03 0.00 -1.57 0.00 0.00 52.86 54.13 2k3a s ASN 75 Cb 0.00 -2.66 0.47 0.00 -0.02 0.00 0.00 41.25 39.04 2k3a s ASN 75 CO 0.00 -0.73 1.75 0.00 -2.57 0.00 0.00 177.10 175.54 2k3a h ALA 76 N 3.13 1.12 -0.03 0.60 0.00 -1.82 -0.44 119.26 121.82 2k3a h ALA 76 Ca -0.50 0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.52 2k3a h ALA 76 Cb 1.23 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.06 2k3a h ALA 76 CO 0.64 -0.15 0.16 -2.95 0.00 0.00 0.00 179.25 176.96 2k3a h ASN 77 N 0.53 0.00 0.73 0.00 7.08 -1.38 -0.36 115.58 122.18 2k3a h ASN 77 Ca 0.42 0.00 -0.11 0.00 -3.08 0.00 0.00 56.30 53.53 2k3a h ASN 77 Cb 0.60 0.00 -0.02 0.00 -2.08 0.00 0.00 38.32 36.82 2k3a h ASN 77 CO -0.37 0.00 -1.35 -3.20 -2.08 0.00 0.00 177.43 170.43 2k3a n ASN 78 N -3.16 0.79 -0.35 6.14 5.15 -0.18 -4.43 115.26 119.22 2k3a n ASN 78 Ca -0.02 0.33 0.14 0.00 -0.60 0.00 0.00 54.58 54.43 2k3a n ASN 78 Cb 0.23 0.37 0.33 0.00 -0.53 0.00 0.00 39.78 40.18 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 1.03 0.42 1.20 4.06 -0.99 -0.93 115.95 120.74 2k3a h TRP 79 Ca -0.12 0.03 -0.02 0.00 2.06 0.00 0.00 58.89 60.85 2k3a h TRP 79 Cb 1.39 -0.30 0.00 0.00 -1.00 0.00 0.00 29.16 29.25 2k3a h TRP 79 CO 0.00 0.18 -0.20 0.00 -3.56 0.00 0.00 178.44 174.86 2k3a h ALA 80 N 1.66 -0.92 -0.42 1.49 0.00 -1.78 -0.17 119.26 119.13 2k3a h ALA 80 Ca 0.59 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 55.32 2k3a h ALA 80 Cb 0.97 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 2k3a h ALA 80 CO -0.41 -0.88 0.05 1.03 0.00 0.00 0.00 179.25 179.04 2k3a h SER 81 N -0.70 0.60 -0.37 0.00 0.87 -1.82 -1.88 113.55 110.25 2k3a h SER 81 Ca -0.06 -0.11 -0.05 0.00 -1.23 0.00 0.00 61.79 60.35 2k3a h SER 81 Cb 0.44 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.23 2k3a h SER 81 CO 0.10 0.64 0.05 0.00 -0.53 0.00 0.00 176.83 177.08 2k3a h ALA 82 N 1.44 0.50 0.13 6.23 0.00 -1.21 0.12 119.26 126.47 2k3a h ALA 82 Ca 0.13 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 2k3a h ALA 82 Cb 0.31 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2k3a h ALA 82 CO 0.01 0.22 -0.06 0.00 0.00 0.00 0.00 179.25 179.41 2k3a h ALA 83 N 0.90 -0.17 0.00 0.00 0.00 -0.75 0.14 119.26 119.39 2k3a h ALA 83 Ca 0.11 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 2k3a h ALA 83 Cb 0.39 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 2k3a h ALA 83 CO 0.01 -0.57 -0.18 0.66 0.00 0.00 0.00 179.25 179.17 2k3a h SER 84 N -0.22 0.00 0.41 0.00 4.64 -1.33 0.92 113.55 117.97 2k3a h SER 84 Ca -0.02 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 61.04 2k3a h SER 84 Cb 0.18 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.28 2k3a h SER 84 CO 0.03 0.18 -1.13 -1.28 -0.87 0.00 0.00 176.83 173.76 2k3a h SER 85 N 0.00 0.57 1.26 4.97 0.87 -0.71 -3.31 113.55 117.19 2k3a h SER 85 Ca -0.00 -0.52 -0.03 0.00 -1.23 0.00 0.00 61.79 60.00 2k3a h SER 85 Cb 0.35 -0.18 -0.00 0.00 -0.44 0.00 0.00 62.40 62.13 2k3a h SER 85 CO 0.02 1.36 -0.14 0.00 -0.53 0.00 0.00 176.83 177.54 2k3a h ALA 86 N 0.58 0.97 0.00 6.23 0.00 -0.22 -3.47 119.26 123.35 2k3a h ALA 86 Ca -0.13 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.65 2k3a h ALA 86 Cb 1.81 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.57 2k3a h ALA 86 CO 0.20 0.18 0.00 0.41 0.00 0.00 0.00 179.25 180.03 2k3a n GLY 87 N 0.45 1.12 1.45 0.00 0.00 -0.80 -5.09 105.19 102.32 2k3a n GLY 87 Ca 0.01 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.92 2k3a n GLY 87 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2k3a n TYR 88 N 0.00 -3.78 -3.97 1.61 4.02 0.25 -5.00 117.16 110.29 2k3a n TYR 88 Ca 0.00 -0.43 -0.31 0.00 -0.01 0.00 0.00 57.90 57.15 2k3a n TYR 88 Cb 0.00 -0.41 -0.15 0.00 -0.02 0.00 0.00 39.34 38.76 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 -2.01 2.21 -0.42 -0.72 2.01 -1.25 -4.55 115.64 110.92 2k3a s THR 89 Ca 0.29 -2.50 -0.14 0.00 0.31 0.00 0.00 61.69 59.65 2k3a s THR 89 Cb -0.01 -2.61 0.04 0.00 0.01 0.00 0.00 72.50 69.92 2k3a s THR 89 CO 0.21 -0.66 0.30 -0.69 -0.69 0.00 0.00 174.62 173.08 2k3a s VAL 90 N 0.67 5.00 0.01 3.82 1.01 -1.26 -0.41 120.40 129.24 2k3a s VAL 90 Ca 0.12 -0.86 -0.01 0.00 0.00 0.00 0.00 61.98 61.23 2k3a s VAL 90 Cb -0.21 -3.86 -0.01 0.00 0.00 0.00 0.00 36.38 32.30 2k3a s VAL 90 CO -0.07 -0.37 -0.00 0.20 0.00 0.00 0.00 175.10 174.86 2k3a s ASN 91 N 1.89 0.16 0.00 3.32 0.01 -0.40 -4.92 114.94 115.00 2k3a s ASN 91 Ca 0.04 -0.35 0.19 0.00 -0.71 0.00 0.00 52.86 52.03 2k3a s ASN 91 Cb -0.21 0.10 0.80 0.00 0.41 0.00 0.00 41.25 42.35 2k3a s ASN 91 CO 0.08 -0.24 1.59 0.59 -1.51 0.00 0.00 177.10 177.61 2k3a n ASN 92 N 1.91 0.00 -4.67 -1.22 4.13 -1.26 -0.64 115.26 113.51 2k3a n ASN 92 Ca -0.21 0.47 -0.46 0.00 1.68 0.00 0.00 54.58 56.06 2k3a n ASN 92 Cb 0.56 -0.49 -0.04 0.00 -1.54 0.00 0.00 39.78 38.27 2k3a n ASN 92 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 2k3a n SER 93 N -1.49 3.66 -4.65 6.41 7.64 -1.26 -4.71 113.62 119.21 2k3a n SER 93 Ca 0.05 0.94 -0.41 0.00 1.01 0.00 0.00 58.87 60.45 2k3a n SER 93 Cb 0.21 -1.42 -0.05 0.00 -1.01 0.00 0.00 64.21 61.95 2k3a n SER 93 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2k3a s PRO 94 N 4.27 4.21 0.08 1.43 0.04 -1.26 -4.76 135.00 139.00 2k3a s PRO 94 Ca 0.92 0.82 -0.20 0.00 0.04 0.00 0.00 61.00 62.58 2k3a s PRO 94 Cb -0.61 -3.61 0.05 0.00 0.04 0.00 0.00 34.50 30.36 2k3a s PRO 94 CO 0.49 -0.39 0.48 -2.00 0.04 0.00 0.00 177.00 175.62 2k3a s GLU 95 N 2.39 1.05 0.63 4.56 2.12 -1.26 -5.00 118.70 123.19 2k3a s GLU 95 Ca 0.33 -0.42 -0.17 0.00 0.36 0.00 0.00 54.97 55.07 2k3a s GLU 95 Cb -0.16 0.48 -0.02 0.00 0.26 0.00 0.00 34.13 34.69 2k3a s GLU 95 CO 0.09 -0.40 1.19 0.00 -0.54 0.00 0.00 175.26 175.60 2k3a s ALA 96 N -2.99 2.45 -0.13 6.30 0.00 -1.26 -3.99 121.76 122.14 2k3a s ALA 96 Ca -0.02 0.90 -0.01 0.00 0.00 0.00 0.00 51.96 52.83 2k3a s ALA 96 Cb 0.00 -3.43 0.00 0.00 0.00 0.00 0.00 23.12 19.69 2k3a s ALA 96 CO -0.06 -1.30 0.12 0.41 0.00 0.00 0.00 175.76 174.92 2k3a n GLY 97 N 0.30 0.74 3.29 0.00 0.00 -0.74 -5.04 105.19 103.74 2k3a n GLY 97 Ca 0.13 -0.56 -0.11 0.00 0.00 0.00 0.00 46.02 45.48 2k3a n GLY 97 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k3a s SER 98 N -3.05 -0.16 -0.21 1.61 0.01 -1.26 -4.20 113.70 106.45 2k3a s SER 98 Ca 0.05 -0.32 -0.08 0.00 1.31 0.00 0.00 55.95 56.91 2k3a s SER 98 Cb -0.02 0.42 -0.04 0.00 0.21 0.00 0.00 66.02 66.59 2k3a s SER 98 CO 0.07 -0.77 0.09 -0.63 0.41 0.00 0.00 173.24 172.42 2k3a s ILE 99 N -3.45 4.83 -0.24 1.44 1.09 -1.06 -0.59 121.20 123.22 2k3a s ILE 99 Ca 0.01 -0.01 -0.12 0.00 -1.10 0.00 0.00 60.65 59.44 2k3a s ILE 99 Cb 0.02 -3.22 -0.05 0.00 -1.06 0.00 0.00 42.46 38.15 2k3a s ILE 99 CO -0.09 0.40 0.21 -1.48 -0.10 0.00 0.00 174.94 173.88 2k3a s LEU 100 N 0.86 4.11 -0.19 2.97 2.34 -0.70 -0.25 118.68 127.83 2k3a s LEU 100 Ca 0.05 0.18 -0.03 0.00 0.06 0.00 0.00 54.13 54.38 2k3a s LEU 100 Cb -0.13 -2.19 -0.01 0.00 -0.56 0.00 0.00 46.19 43.29 2k3a s LEU 100 CO 0.03 0.02 -0.06 -1.58 -1.06 0.00 0.00 176.35 173.69 2k3a s GLN 101 N 1.21 3.44 -0.31 1.48 -0.44 0.51 -3.02 119.66 122.52 2k3a s GLN 101 Ca 0.10 -0.62 -0.06 0.00 -2.50 0.00 0.00 55.36 52.28 2k3a s GLN 101 Cb -0.14 -2.91 0.02 0.00 -1.64 0.00 0.00 33.01 28.34 2k3a s GLN 101 CO 0.06 -0.02 0.08 0.45 0.50 0.00 0.00 175.29 176.36 2k3a s SER 102 N 1.01 5.17 -1.41 6.67 0.15 -0.07 -1.01 113.70 124.21 2k3a s SER 102 Ca 0.00 -0.89 -0.14 0.00 0.70 0.00 0.00 55.95 55.62 2k3a s SER 102 Cb -0.15 -1.87 0.07 0.00 -1.71 0.00 0.00 66.02 62.36 2k3a s SER 102 CO 0.00 -0.24 2.10 0.35 1.20 0.00 0.00 173.24 176.64 2k3a n THR 103 N 4.84 3.67 0.17 6.45 -2.24 -1.26 -1.97 114.28 123.94 2k3a n THR 103 Ca -0.14 -3.40 0.04 0.00 -2.27 0.00 0.00 64.05 58.28 2k3a n THR 103 Cb 0.47 -2.54 0.24 0.00 -2.10 0.00 0.00 70.33 66.40 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 6.16 0.89 0.00 6.98 0.00 -1.95 -3.50 119.26 127.84 2k3a h ALA 104 Ca 0.52 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2k3a h ALA 104 Cb 0.67 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.39 2k3a h ALA 104 CO 1.78 0.54 0.00 0.41 0.00 0.00 0.00 179.25 181.98 2k3a n GLY 105 N 0.52 3.13 5.29 0.00 0.00 -1.26 -4.97 105.19 107.89 2k3a n GLY 105 Ca 0.00 -1.97 0.00 0.00 0.00 0.00 0.00 46.02 44.05 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 -0.65 1.01 0.18 -0.02 0.00 -1.26 -2.79 105.19 101.67 2k3a n GLY 106 Ca 0.00 0.34 -0.15 0.00 0.00 0.00 0.00 46.02 46.21 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 0.00 -1.78 1.61 4.01 -1.26 -4.92 117.16 114.82 2k3a n TYR 107 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 2k3a n TYR 107 Cb 0.00 -0.69 0.00 0.00 -0.31 0.00 0.00 39.34 38.34 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 2.41 -1.81 3.59 2.72 0.00 -1.12 -0.99 105.19 109.99 2k3a n GLY 108 Ca -0.33 -1.74 -0.15 0.00 0.00 0.00 0.00 46.02 43.79 2k3a n GLY 108 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2k3a s HIS 109 N 0.00 -0.74 -0.01 1.61 2.46 -0.83 -4.82 115.29 112.95 2k3a s HIS 109 Ca 0.00 1.71 -0.01 0.00 0.47 0.00 0.00 55.06 57.22 2k3a s HIS 109 Cb 0.00 0.29 0.00 0.00 -0.13 0.00 0.00 32.58 32.74 2k3a s HIS 109 CO 0.00 -0.42 0.03 0.14 -2.47 0.00 0.00 174.74 172.02 2k3a s VAL 110 N 0.02 0.01 0.07 0.89 -7.23 -1.26 -0.89 120.40 112.01 2k3a s VAL 110 Ca -0.02 -0.12 -0.15 0.00 -1.81 0.00 0.00 61.98 59.88 2k3a s VAL 110 Cb -0.04 -0.10 0.02 0.00 0.56 0.00 0.00 36.38 36.83 2k3a s VAL 110 CO 0.03 -0.07 0.34 0.00 -0.31 0.00 0.00 175.10 175.09 2k3a s ALA 111 N -0.19 -0.76 -0.18 1.32 0.00 -1.17 -4.80 121.76 116.00 2k3a s ALA 111 Ca -0.02 -0.02 -0.14 0.00 0.00 0.00 0.00 51.96 51.78 2k3a s ALA 111 Cb -0.02 0.43 -0.04 0.00 0.00 0.00 0.00 23.12 23.49 2k3a s ALA 111 CO -0.00 -0.49 0.31 -0.47 0.00 0.00 0.00 175.76 175.11 2k3a s TYR 112 N -2.99 3.43 -0.26 0.00 5.04 -1.22 -1.71 117.35 119.64 2k3a s TYR 112 Ca -0.02 0.57 -0.29 0.00 -2.44 0.00 0.00 57.07 54.89 2k3a s TYR 112 Cb 0.01 -2.38 0.01 0.00 0.35 0.00 0.00 41.96 39.95 2k3a s TYR 112 CO -0.06 0.17 1.06 0.08 -1.34 0.00 0.00 175.55 175.46 2k3a s VAL 113 N 0.70 4.61 -0.15 3.14 1.01 0.24 -0.32 120.40 129.64 2k3a s VAL 113 Ca 0.16 1.91 -0.18 0.00 0.00 0.00 0.00 61.98 63.88 2k3a s VAL 113 Cb -0.13 -4.33 -0.15 0.00 0.00 0.00 0.00 36.38 31.76 2k3a s VAL 113 CO 0.05 -0.28 0.32 -0.33 0.00 0.00 0.00 175.10 174.86 2k3a h GLU 114 N 7.70 0.00 -3.04 2.72 4.39 -1.21 -1.97 114.58 123.17 2k3a h GLU 114 Ca -0.20 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.42 2k3a h GLU 114 Cb 1.06 0.00 -0.17 0.00 -0.10 0.00 0.00 28.75 29.54 2k3a h GLU 114 CO 1.00 0.63 -0.14 1.21 -1.16 0.00 0.00 179.01 180.55 2k3a s ASN 115 N -6.16 -0.26 -0.09 1.42 2.47 -0.93 -4.60 114.94 106.79 2k3a s ASN 115 Ca -0.17 -0.00 0.03 0.00 0.42 0.00 0.00 52.86 53.14 2k3a s ASN 115 Cb 0.01 0.40 0.01 0.00 -1.45 0.00 0.00 41.25 40.22 2k3a s ASN 115 CO 0.44 -0.63 -0.19 -0.69 -3.72 0.00 0.00 177.10 172.31 2k3a s VAL 116 N -2.31 1.71 0.66 -5.21 1.01 -1.26 -0.16 120.40 114.83 2k3a s VAL 116 Ca -0.06 -0.81 -0.11 0.00 0.00 0.00 0.00 61.98 61.00 2k3a s VAL 116 Cb -0.01 -1.51 -0.02 0.00 0.00 0.00 0.00 36.38 34.84 2k3a s VAL 116 CO -0.01 0.48 1.05 0.20 0.00 0.00 0.00 175.10 176.81 2k3a s ASN 117 N 0.55 5.80 0.62 3.32 0.02 0.57 -4.95 114.94 120.87 2k3a s ASN 117 Ca -0.15 1.52 0.39 0.00 -1.02 0.00 0.00 52.86 53.60 2k3a s ASN 117 Cb -0.17 -2.48 1.98 0.00 0.02 0.00 0.00 41.25 40.60 2k3a s ASN 117 CO 0.05 -1.16 2.21 0.28 0.02 0.00 0.00 177.10 178.51 2k3a h SER 118 N -0.52 0.00 0.52 -1.22 0.02 -2.01 -0.72 113.55 109.62 2k3a h SER 118 Ca -0.44 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.49 2k3a h SER 118 Cb 1.20 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.74 2k3a h SER 118 CO 0.59 0.01 -0.09 0.44 -1.14 0.00 0.00 176.83 176.64 2k3a h ASP 119 N 0.00 0.00 0.00 3.07 3.32 -2.03 -3.46 116.42 117.32 2k3a h ASP 119 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2k3a h ASP 119 Cb 0.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.76 2k3a h ASP 119 CO 0.00 0.09 0.00 0.61 -1.72 0.00 0.00 179.24 178.22 2k3a n GLY 120 N -0.49 0.47 3.71 2.75 0.00 -0.28 -4.78 105.19 106.58 2k3a n GLY 120 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 2k3a n GLY 120 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k3a s SER 121 N -2.27 6.62 -0.34 1.61 0.01 -1.25 -4.18 113.70 113.89 2k3a s SER 121 Ca 0.00 2.56 -0.09 0.00 1.31 0.00 0.00 55.95 59.73 2k3a s SER 121 Cb 0.00 -2.59 0.03 0.00 0.21 0.00 0.00 66.02 63.67 2k3a s SER 121 CO 0.00 -0.81 0.15 -0.69 0.41 0.00 0.00 173.24 172.29 2k3a s VAL 122 N 1.39 4.22 -0.50 3.43 1.01 0.67 -0.31 120.40 130.31 2k3a s VAL 122 Ca 0.70 -0.88 -0.22 0.00 0.00 0.00 0.00 61.98 61.58 2k3a s VAL 122 Cb -0.42 -3.32 0.04 0.00 0.00 0.00 0.00 36.38 32.68 2k3a s VAL 122 CO 0.31 -0.14 0.75 -1.61 0.00 0.00 0.00 175.10 174.41 2k3a s GLU 123 N 1.50 3.27 0.47 2.72 2.02 0.77 -0.46 118.70 128.99 2k3a s GLU 123 Ca 0.01 -0.46 0.07 0.00 0.02 0.00 0.00 54.97 54.61 2k3a s GLU 123 Cb -0.19 -4.03 0.00 0.00 0.10 0.00 0.00 34.13 30.02 2k3a s GLU 123 CO 0.05 -1.24 0.37 0.14 0.02 0.00 0.00 175.26 174.60 2k3a s VAL 124 N 3.19 2.17 -0.14 2.63 -7.23 0.12 -0.69 120.40 120.44 2k3a s VAL 124 Ca 0.24 -1.45 0.01 0.00 -1.81 0.00 0.00 61.98 58.98 2k3a s VAL 124 Cb -0.15 -2.61 0.00 0.00 0.56 0.00 0.00 36.38 34.18 2k3a s VAL 124 CO 0.17 0.00 -0.18 -0.94 -0.31 0.00 0.00 175.10 173.84 2k3a s SER 125 N -4.18 3.43 0.14 4.85 1.04 0.56 -1.99 113.70 117.55 2k3a s SER 125 Ca 0.42 -0.52 0.00 0.00 0.48 0.00 0.00 55.95 56.33 2k3a s SER 125 Cb -0.02 -1.51 -0.00 0.00 0.10 0.00 0.00 66.02 64.59 2k3a s SER 125 CO 0.25 0.10 0.01 -0.62 0.98 0.00 0.00 173.24 173.95 2k3a n GLU 126 N 3.97 1.52 -4.46 4.02 1.02 0.15 -3.42 120.64 123.43 2k3a n GLU 126 Ca -0.19 -1.03 -0.22 0.00 -0.02 0.00 0.00 57.16 55.70 2k3a n GLU 126 Cb 0.52 0.32 -0.16 0.00 -0.02 0.00 0.00 31.44 32.10 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 -2.50 1.24 -0.16 3.49 -2.45 -1.26 -0.11 119.30 117.55 2k3a s MET 127 Ca 0.01 -0.34 -0.15 0.00 -1.25 0.00 0.00 55.69 53.96 2k3a s MET 127 Cb 0.00 -1.10 -0.23 0.00 1.25 0.00 0.00 34.83 34.75 2k3a s MET 127 CO 0.01 0.08 0.32 -0.97 1.05 0.00 0.00 175.02 175.50 2k3a h ASN 128 N 6.65 0.21 -3.61 1.11 -0.73 -1.94 -3.45 115.58 113.82 2k3a h ASN 128 Ca -0.33 -0.72 -0.63 0.00 1.87 0.00 0.00 56.30 56.48 2k3a h ASN 128 Cb 1.17 -0.07 -0.13 0.00 0.27 0.00 0.00 38.32 39.56 2k3a h ASN 128 CO 0.48 1.64 0.29 -0.31 -0.37 0.00 0.00 177.43 179.17 2k3a s TYR 129 N -2.45 3.03 0.35 0.67 2.02 -1.26 -4.95 117.35 114.77 2k3a s TYR 129 Ca -0.25 0.17 0.15 0.00 -0.37 0.00 0.00 57.07 56.77 2k3a s TYR 129 Cb 0.06 -3.53 1.06 0.00 -0.40 0.00 0.00 41.96 39.14 2k3a s TYR 129 CO 0.68 -0.91 1.70 -2.95 -1.57 0.00 0.00 175.55 172.50 2k3a h ASN 130 N 8.87 0.53 -0.81 2.29 7.08 -1.95 -2.90 115.58 128.70 2k3a h ASN 130 Ca -0.25 0.15 -0.33 0.00 -3.08 0.00 0.00 56.30 52.79 2k3a h ASN 130 Cb 1.09 0.08 -0.40 0.00 -2.08 0.00 0.00 38.32 37.01 2k3a h ASN 130 CO 0.93 -0.02 -1.15 0.61 -2.08 0.00 0.00 177.43 175.72 2k3a n GLY 131 N -1.35 1.83 0.00 9.14 0.00 -1.26 0.21 105.19 113.76 2k3a n GLY 131 Ca 0.30 -1.28 0.00 0.00 0.00 0.00 0.00 46.02 45.04 2k3a n GLY 131 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k3a n GLY 132 N -0.28 2.56 0.00 -0.02 0.00 -1.10 -5.07 105.19 101.28 2k3a n GLY 132 Ca 0.10 -1.94 0.00 0.00 0.00 0.00 0.00 46.02 44.18 2k3a n GLY 132 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2k3a n PRO 133 N 0.00 1.95 -0.13 1.61 -0.04 -1.26 -4.92 135.00 132.21 2k3a n PRO 133 Ca 0.00 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.47 2k3a n PRO 133 Cb 0.00 0.00 0.05 0.00 -0.04 0.00 0.00 33.50 33.51 2k3a n PRO 133 CO 0.00 0.00 0.00 1.97 -0.04 0.00 0.00 175.50 177.43 2k3a n PHE 134 N 0.00 0.29 -2.14 0.54 1.16 -1.26 -4.80 117.46 111.25 2k3a n PHE 134 Ca 0.00 -0.13 -0.30 0.00 -1.87 0.00 0.00 57.45 55.15 2k3a n PHE 134 Cb 0.00 -0.17 -0.05 0.00 -1.61 0.00 0.00 39.48 37.65 2k3a n PHE 134 CO 0.00 0.00 0.00 -1.12 -1.87 0.00 0.00 176.76 173.77 2k3a s SER 135 N -0.06 5.34 0.21 5.98 0.01 -1.26 -4.94 113.70 118.97 2k3a s SER 135 Ca 0.07 -1.46 -0.30 0.00 1.31 0.00 0.00 55.95 55.58 2k3a s SER 135 Cb 0.06 -2.58 -0.08 0.00 0.21 0.00 0.00 66.02 63.63 2k3a s SER 135 CO 0.02 -2.70 1.04 -0.69 0.41 0.00 0.00 173.24 171.32 2k3a s VAL 136 N 9.70 3.92 0.03 3.43 1.01 -1.26 -4.35 120.40 132.88 2k3a s VAL 136 Ca 0.66 1.78 -0.17 0.00 0.00 0.00 0.00 61.98 64.25 2k3a s VAL 136 Cb -0.02 -4.14 -0.06 0.00 0.00 0.00 0.00 36.38 32.17 2k3a s VAL 136 CO 0.07 0.36 0.50 -0.55 0.00 0.00 0.00 175.10 175.48 2k3a s SER 137 N -0.57 6.94 -0.03 3.32 0.15 0.85 -4.93 113.70 119.43 2k3a s SER 137 Ca 0.46 1.11 -0.16 0.00 0.70 0.00 0.00 55.95 58.06 2k3a s SER 137 Cb -0.28 -2.31 -0.05 0.00 -1.71 0.00 0.00 66.02 61.66 2k3a s SER 137 CO 0.35 0.28 0.44 -1.61 1.20 0.00 0.00 173.24 173.89 2k3a s GLU 138 N -0.99 4.06 -0.04 5.44 2.02 -1.26 -0.68 118.70 127.25 2k3a s GLU 138 Ca 0.27 0.44 -0.02 0.00 0.02 0.00 0.00 54.97 55.68 2k3a s GLU 138 Cb -0.18 -3.28 0.03 0.00 0.10 0.00 0.00 34.13 30.80 2k3a s GLU 138 CO 0.16 0.54 0.07 0.50 0.02 0.00 0.00 175.26 176.55 2k3a s ARG 139 N -0.62 -0.05 -0.54 1.61 6.06 -0.84 -4.94 118.95 119.64 2k3a s ARG 139 Ca 0.24 0.36 -0.11 0.00 -2.50 0.00 0.00 55.73 53.72 2k3a s ARG 139 Cb -0.16 -0.41 0.14 0.00 0.06 0.00 0.00 34.95 34.58 2k3a s ARG 139 CO 0.13 -0.28 0.44 0.99 -2.50 0.00 0.00 175.30 174.08 2k3a s THR 140 N 1.90 4.63 -0.02 4.11 2.01 -1.26 0.12 115.64 127.12 2k3a s THR 140 Ca 0.01 -1.83 -0.30 0.00 0.31 0.00 0.00 61.69 59.88 2k3a s THR 140 Cb -0.12 -4.00 -0.03 0.00 0.01 0.00 0.00 72.50 68.36 2k3a s THR 140 CO -0.03 -0.84 1.00 -0.63 -0.69 0.00 0.00 174.62 173.43 2k3a s ILE 141 N 1.24 4.80 0.50 1.82 1.01 0.39 -4.90 121.20 126.07 2k3a s ILE 141 Ca 0.07 2.02 -0.22 0.00 0.00 0.00 0.00 60.65 62.52 2k3a s ILE 141 Cb -0.25 -4.30 -0.06 0.00 0.01 0.00 0.00 42.46 37.86 2k3a s ILE 141 CO -0.01 0.12 1.21 -0.44 0.00 0.00 0.00 174.94 175.82 2k3a s SER 142 N 1.04 5.81 0.21 3.58 0.01 -1.26 -0.24 113.70 122.85 2k3a s SER 142 Ca 0.52 2.40 -0.10 0.00 1.31 0.00 0.00 55.95 60.07 2k3a s SER 142 Cb -0.21 -2.61 0.31 0.00 0.21 0.00 0.00 66.02 63.72 2k3a s SER 142 CO 0.26 -1.17 1.69 0.00 0.41 0.00 0.00 173.24 174.42 2k3a h ALA 143 N 1.68 0.68 -0.65 1.44 0.00 -1.87 0.14 119.26 120.69 2k3a h ALA 143 Ca -0.50 0.16 0.09 0.00 0.00 0.00 0.00 54.91 54.66 2k3a h ALA 143 Cb 1.27 0.24 -0.04 0.00 0.00 0.00 0.00 17.79 19.25 2k3a h ALA 143 CO 0.59 -0.35 0.43 0.78 0.00 0.00 0.00 179.25 180.70 2k3a h GLY 144 N 0.20 0.73 1.39 0.00 0.00 -1.92 -2.01 103.07 101.46 2k3a h GLY 144 Ca 0.32 -0.22 -0.29 0.00 0.00 0.00 0.00 47.33 47.15 2k3a h GLY 144 CO -0.46 0.14 -1.42 -2.09 0.00 0.00 0.00 176.54 172.71 2k3a h GLU 145 N 0.53 0.21 0.00 4.80 4.81 -1.44 -3.32 114.58 120.16 2k3a h GLU 145 Ca 0.30 -0.35 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 2k3a h GLU 145 Cb 0.46 0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.98 2k3a h GLU 145 CO -0.09 1.08 0.00 0.00 -0.73 0.00 0.00 179.01 179.26 2k3a n ALA 146 N -2.59 1.22 0.22 2.92 0.00 0.31 -2.08 120.51 120.52 2k3a n ALA 146 Ca -0.13 0.02 0.11 0.00 0.00 0.00 0.00 53.44 53.44 2k3a n ALA 146 Cb 1.03 -1.13 0.34 0.00 0.00 0.00 0.00 19.45 19.68 2k3a n ALA 146 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2k3a h SER 147 N 0.00 0.00 0.63 0.00 0.87 -1.61 -3.29 113.55 110.15 2k3a h SER 147 Ca 0.00 0.00 -0.27 0.00 -1.23 0.00 0.00 61.79 60.29 2k3a h SER 147 Cb 0.09 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.03 2k3a h SER 147 CO 0.00 0.13 -1.37 0.77 -0.53 0.00 0.00 176.83 175.83 2k3a h SER 148 N 0.00 0.23 -3.98 6.23 4.64 -1.67 -3.47 113.55 115.53 2k3a h SER 148 Ca -0.00 -0.31 -0.50 0.00 -0.47 0.00 0.00 61.79 60.51 2k3a h SER 148 Cb 0.89 -0.08 0.05 0.00 -0.31 0.00 0.00 62.40 62.95 2k3a h SER 148 CO 0.02 1.25 0.48 -0.31 -0.87 0.00 0.00 176.83 177.39 2k3a s TYR 149 N -2.64 2.98 -0.34 4.77 2.02 -1.24 -4.87 117.35 118.03 2k3a s TYR 149 Ca -0.05 1.56 -0.12 0.00 -0.37 0.00 0.00 57.07 58.09 2k3a s TYR 149 Cb 0.08 -3.34 -0.01 0.00 -0.40 0.00 0.00 41.96 38.29 2k3a s TYR 149 CO 0.84 -1.32 0.22 -0.80 -1.57 0.00 0.00 175.55 172.93 2k3a s ASN 150 N -1.34 5.91 -0.35 2.29 0.01 -0.18 -4.49 114.94 116.79 2k3a s ASN 150 Ca 0.61 -0.51 -0.20 0.00 -0.71 0.00 0.00 52.86 52.05 2k3a s ASN 150 Cb -0.28 -2.10 0.00 0.00 0.41 0.00 0.00 41.25 39.28 2k3a s ASN 150 CO 0.34 -0.25 0.63 -0.31 -1.51 0.00 0.00 177.10 176.01 2k3a s TYR 151 N 1.68 3.16 -0.53 2.20 1.51 0.19 -0.37 117.35 125.20 2k3a s TYR 151 Ca 0.05 0.36 -0.27 0.00 -1.01 0.00 0.00 57.07 56.21 2k3a s TYR 151 Cb -0.17 -3.11 0.03 0.00 -0.11 0.00 0.00 41.96 38.59 2k3a s TYR 151 CO 0.09 -0.61 1.09 0.42 -1.11 0.00 0.00 175.55 175.43 2k3a s ILE 152 N 2.68 4.21 -0.21 2.71 1.09 0.66 -1.28 121.20 131.07 2k3a s ILE 152 Ca 0.24 0.85 -0.14 0.00 -1.10 0.00 0.00 60.65 60.49 2k3a s ILE 152 Cb -0.15 -4.61 -0.04 0.00 -1.06 0.00 0.00 42.46 36.60 2k3a s ILE 152 CO 0.14 -1.13 0.34 -1.00 -0.10 0.00 0.00 174.94 173.19 2k3a s HIS 153 N 4.44 3.36 -0.75 3.97 3.76 0.45 -2.58 115.29 127.94 2k3a s HIS 153 Ca 0.41 0.52 -0.20 0.00 -0.15 0.00 0.00 55.06 55.64 2k3a s HIS 153 Cb -0.09 -2.46 0.11 0.00 1.11 0.00 0.00 32.58 31.26 2k3a s HIS 153 CO 0.26 0.02 0.95 -0.51 -0.85 0.00 0.00 174.74 174.61 2k3a s LEU 154 N 1.22 5.02 0.00 0.89 1.43 -1.26 -3.91 118.68 122.07 2k3a s LEU 154 Ca 0.16 -1.59 0.24 0.00 -1.03 0.00 0.00 54.13 51.91 2k3a s LEU 154 Cb -0.14 -2.37 1.44 0.00 0.03 0.00 0.00 46.19 45.15 2k3a s LEU 154 CO 0.07 -1.17 1.81 -0.46 0.23 0.00 0.00 176.35 176.82