#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k3a n LYS 2 N 0.00 0.20 -1.55 3.17 5.02 -1.26 -4.97 118.16 118.77 2k3a n LYS 2 Ca 0.00 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.20 2k3a n LYS 2 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 34.98 2k3a n LYS 2 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2k3a n LYS 3 N 0.00 -0.66 -1.36 1.97 4.76 -1.26 -5.00 118.16 116.60 2k3a n LYS 3 Ca 0.00 0.70 -0.32 0.00 -2.87 0.00 0.00 58.31 55.82 2k3a n LYS 3 Cb 0.00 -4.62 0.09 0.00 -1.84 0.00 0.00 35.03 28.66 2k3a n LYS 3 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2k3a s LEU 4 N -2.23 3.16 -0.18 -0.35 1.02 -1.26 -5.06 118.68 113.79 2k3a s LEU 4 Ca 0.00 2.01 -0.07 0.00 0.02 0.00 0.00 54.13 56.09 2k3a s LEU 4 Cb 0.00 -4.55 0.08 0.00 0.02 0.00 0.00 46.19 41.74 2k3a s LEU 4 CO 0.00 -2.09 0.38 0.54 0.02 0.00 0.00 176.35 175.20 2k3a s VAL 5 N -2.55 -0.47 0.33 -1.59 0.11 -1.26 -5.16 120.40 109.82 2k3a s VAL 5 Ca 0.66 0.18 -0.14 0.00 -2.93 0.00 0.00 61.98 59.74 2k3a s VAL 5 Cb -0.21 -0.60 -0.09 0.00 -1.53 0.00 0.00 36.38 33.95 2k3a s VAL 5 CO 0.50 0.07 0.74 0.42 -3.33 0.00 0.00 175.10 173.51 2k3a s THR 6 N 2.30 4.69 0.47 5.04 -4.23 -1.26 -5.07 115.64 117.58 2k3a s THR 6 Ca -0.03 0.91 -0.18 0.00 -1.18 0.00 0.00 61.69 61.22 2k3a s THR 6 Cb -0.11 -3.62 -0.09 0.00 1.34 0.00 0.00 72.50 70.01 2k3a s THR 6 CO -0.12 -0.23 0.95 0.00 -0.54 0.00 0.00 174.62 174.68 2k3a s ALA 7 N -2.04 3.09 0.08 3.99 0.00 -1.26 -5.09 121.76 120.53 2k3a s ALA 7 Ca 0.54 0.23 -0.07 0.00 0.00 0.00 0.00 51.96 52.66 2k3a s ALA 7 Cb -0.10 -3.08 -0.01 0.00 0.00 0.00 0.00 23.12 19.92 2k3a s ALA 7 CO 0.19 -0.06 0.14 -0.08 0.00 0.00 0.00 175.76 175.95 2k3a s THR 8 N -2.42 0.16 -0.18 0.00 -1.32 -1.26 -5.17 115.64 105.46 2k3a s THR 8 Ca 0.59 -1.31 -0.08 0.00 -1.21 0.00 0.00 61.69 59.69 2k3a s THR 8 Cb -0.10 -1.36 0.07 0.00 -1.51 0.00 0.00 72.50 69.61 2k3a s THR 8 CO 0.24 -0.72 0.40 -0.89 -2.21 0.00 0.00 174.62 171.44 2k3a s THR 9 N -3.83 -0.34 -0.16 5.08 2.01 -1.26 -5.15 115.64 112.00 2k3a s THR 9 Ca 0.05 0.14 0.01 0.00 0.31 0.00 0.00 61.69 62.21 2k3a s THR 9 Cb 0.05 -0.62 0.02 0.00 0.01 0.00 0.00 72.50 71.96 2k3a s THR 9 CO -0.11 0.06 -0.20 -0.76 -0.69 0.00 0.00 174.62 172.93 2k3a s LEU 10 N 2.03 2.05 -0.15 4.42 1.43 -1.26 -5.11 118.68 122.09 2k3a s LEU 10 Ca -0.05 -0.61 -0.29 0.00 -1.03 0.00 0.00 54.13 52.15 2k3a s LEU 10 Cb -0.10 -1.42 -0.01 0.00 0.03 0.00 0.00 46.19 44.69 2k3a s LEU 10 CO -0.12 0.02 1.13 -0.89 0.23 0.00 0.00 176.35 176.71 2k3a s THR 11 N 1.16 4.51 -0.59 5.49 2.01 -1.26 -4.99 115.64 121.97 2k3a s THR 11 Ca 0.01 1.81 -0.28 0.00 0.31 0.00 0.00 61.69 63.54 2k3a s THR 11 Cb -0.14 -4.17 0.02 0.00 0.01 0.00 0.00 72.50 68.23 2k3a s THR 11 CO -0.09 -0.09 1.29 0.00 -0.69 0.00 0.00 174.62 175.03 2k3a s ALA 12 N 2.84 2.90 -1.14 7.40 0.00 -1.26 -4.96 121.76 127.54 2k3a s ALA 12 Ca 0.50 -0.81 -0.18 0.00 0.00 0.00 0.00 51.96 51.47 2k3a s ALA 12 Cb -0.19 -4.08 0.10 0.00 0.00 0.00 0.00 23.12 18.95 2k3a s ALA 12 CO 0.14 -2.82 1.48 0.20 0.00 0.00 0.00 175.76 174.76 2k3a s GLY 13 N 3.59 1.81 0.86 0.00 0.00 -1.26 -5.00 107.32 107.32 2k3a s GLY 13 Ca 0.46 -2.86 -0.09 0.00 0.00 0.00 0.00 44.72 42.23 2k3a s GLY 13 CO 0.24 2.41 1.18 -0.26 0.00 0.00 0.00 173.10 176.68 2k3a s ILE 14 N 3.42 2.05 0.00 0.90 -4.36 -1.26 -5.10 121.20 116.85 2k3a s ILE 14 Ca 0.45 -0.27 0.00 0.00 -0.26 0.00 0.00 60.65 60.57 2k3a s ILE 14 Cb -0.00 -2.77 0.00 0.00 1.25 0.00 0.00 42.46 40.94 2k3a s ILE 14 CO -0.01 0.00 0.00 0.61 0.24 0.00 0.00 174.94 175.78 2k3a n GLY 15 N -3.36 3.32 3.35 6.27 0.00 -1.26 -5.18 105.19 108.33 2k3a n GLY 15 Ca 0.16 -1.05 -0.14 0.00 0.00 0.00 0.00 46.02 44.99 2k3a n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k3a s ALA 16 N -2.00 -1.16 -0.25 4.61 0.00 -1.26 -5.15 121.76 116.56 2k3a s ALA 16 Ca 0.00 0.53 -0.03 0.00 0.00 0.00 0.00 51.96 52.46 2k3a s ALA 16 Cb 0.00 0.26 0.11 0.00 0.00 0.00 0.00 23.12 23.49 2k3a s ALA 16 CO 0.00 -0.42 0.23 0.00 0.00 0.00 0.00 175.76 175.57 2k3a s ALA 17 N -2.09 -0.17 0.01 0.00 0.00 -1.26 -5.14 121.76 113.11 2k3a s ALA 17 Ca -0.08 -0.21 -0.30 0.00 0.00 0.00 0.00 51.96 51.38 2k3a s ALA 17 Cb -0.01 -1.51 -0.04 0.00 0.00 0.00 0.00 23.12 21.56 2k3a s ALA 17 CO 0.01 -1.48 1.10 0.42 0.00 0.00 0.00 175.76 175.82 2k3a s ILE 18 N 2.30 4.43 0.02 0.00 -1.09 -1.26 -5.05 121.20 120.54 2k3a s ILE 18 Ca 0.08 1.74 0.03 0.00 -2.23 0.00 0.00 60.65 60.27 2k3a s ILE 18 Cb -0.15 -4.12 -0.01 0.00 -1.58 0.00 0.00 42.46 36.60 2k3a s ILE 18 CO -0.24 0.11 -0.10 0.68 -1.23 0.00 0.00 174.94 174.16 2k3a s VAL 19 N 1.27 0.75 0.00 2.92 -7.23 -1.26 -5.13 120.40 111.73 2k3a s VAL 19 Ca 0.55 -0.69 0.00 0.00 -1.81 0.00 0.00 61.98 60.03 2k3a s VAL 19 Cb -0.25 -0.69 0.00 0.00 0.56 0.00 0.00 36.38 36.00 2k3a s VAL 19 CO 0.27 0.01 0.00 0.61 -0.31 0.00 0.00 175.10 175.68 2k3a n GLY 20 N 2.29 3.76 3.18 2.32 0.00 -1.26 -5.18 105.19 110.30 2k3a n GLY 20 Ca -0.17 -0.40 -0.13 0.00 0.00 0.00 0.00 46.02 45.32 2k3a n GLY 20 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2k3a s LEU 21 N 0.00 2.46 0.00 0.99 1.43 -1.26 -5.15 118.68 117.16 2k3a s LEU 21 Ca 0.00 -0.91 -0.19 0.00 -1.03 0.00 0.00 54.13 52.00 2k3a s LEU 21 Cb 0.00 -0.23 -0.06 0.00 0.03 0.00 0.00 46.19 45.94 2k3a s LEU 21 CO 0.00 -0.35 0.53 -0.62 0.23 0.00 0.00 176.35 176.14 2k3a s ASP 22 N -2.77 6.92 -0.01 2.29 2.15 -1.26 -4.98 116.67 119.01 2k3a s ASP 22 Ca 0.09 1.09 0.18 0.00 0.43 0.00 0.00 52.55 54.35 2k3a s ASP 22 Cb 0.01 -2.33 -0.19 0.00 -0.30 0.00 0.00 42.92 40.11 2k3a s ASP 22 CO -0.02 0.19 0.61 1.57 -0.17 0.00 0.00 175.17 177.35 2k3a n HIS 23 N 2.38 0.60 -2.68 -5.34 -0.00 -1.26 -5.05 115.22 103.88 2k3a n HIS 23 Ca -0.09 0.20 -0.02 0.00 -0.00 0.00 0.00 57.72 57.80 2k3a n HIS 23 Cb 0.51 -0.96 0.00 0.00 -0.00 0.00 0.00 29.99 29.54 2k3a n HIS 23 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2k3a n GLY 24 N 1.44 -1.09 3.71 1.57 0.00 -1.26 -4.97 105.19 104.58 2k3a n GLY 24 Ca -0.13 0.55 -0.42 0.00 0.00 0.00 0.00 46.02 46.02 2k3a n GLY 24 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2k3a s ASN 25 N -2.62 7.30 0.34 1.61 0.01 -1.26 -5.04 114.94 115.28 2k3a s ASN 25 Ca 0.07 1.72 0.04 0.00 -0.71 0.00 0.00 52.86 53.98 2k3a s ASN 25 Cb -0.02 -2.57 0.04 0.00 0.41 0.00 0.00 41.25 39.11 2k3a s ASN 25 CO 0.60 -0.32 0.35 -0.62 -1.51 0.00 0.00 177.10 175.60 2k3a n GLU 26 N 4.00 0.90 0.00 -0.60 1.02 -1.26 -4.00 120.64 120.69 2k3a n GLU 26 Ca 0.07 -1.97 0.00 0.00 -0.02 0.00 0.00 57.16 55.24 2k3a n GLU 26 Cb 0.50 0.06 0.00 0.00 -0.02 0.00 0.00 31.44 31.97 2k3a n GLU 26 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2k3a n ALA 27 N -2.45 0.00 -1.40 0.62 0.00 -1.26 -1.77 120.51 114.26 2k3a n ALA 27 Ca -0.09 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.04 2k3a n ALA 27 Cb 0.37 0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.89 2k3a n ALA 27 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2k3a s ASP 28 N 0.00 4.89 -0.10 0.00 -1.08 -1.26 -4.24 116.67 114.88 2k3a s ASP 28 Ca 0.00 1.74 0.18 0.00 -0.52 0.00 0.00 52.55 53.95 2k3a s ASP 28 Cb 0.00 -2.51 0.67 0.00 -1.46 0.00 0.00 42.92 39.62 2k3a s ASP 28 CO 0.00 -1.78 1.58 0.00 0.52 0.00 0.00 175.17 175.50 2k3a n ALA 29 N -3.33 2.94 -1.55 3.66 0.00 -1.26 -3.88 120.51 117.10 2k3a n ALA 29 Ca 0.08 -1.59 -0.23 0.00 0.00 0.00 0.00 53.44 51.70 2k3a n ALA 29 Cb 0.53 -0.94 -0.08 0.00 0.00 0.00 0.00 19.45 18.96 2k3a n ALA 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k3a n ALA 30 N 1.03 0.56 -2.60 0.00 0.00 -1.26 -4.78 120.51 113.46 2k3a n ALA 30 Ca 0.24 -1.10 -0.42 0.00 0.00 0.00 0.00 53.44 52.16 2k3a n ALA 30 Cb 0.83 -3.08 -0.03 0.00 0.00 0.00 0.00 19.45 17.17 2k3a n ALA 30 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 2k3a s GLU 31 N 8.51 3.44 0.00 0.00 -1.05 -1.26 -4.36 118.70 123.99 2k3a s GLU 31 Ca 1.03 0.08 0.00 0.00 -0.15 0.00 0.00 54.97 55.93 2k3a s GLU 31 Cb -0.32 -4.04 0.00 0.00 -0.44 0.00 0.00 34.13 29.34 2k3a s GLU 31 CO 0.23 -1.67 0.28 0.94 0.95 0.00 0.00 175.26 175.98 2k3a n GLN 32 N 8.28 0.00 -3.84 -4.83 -0.06 -1.26 -5.06 117.38 110.61 2k3a n GLN 32 Ca 0.06 0.31 -0.07 0.00 -2.00 0.00 0.00 57.00 55.31 2k3a n GLN 32 Cb 0.49 -0.98 -0.01 0.00 -4.06 0.00 0.00 30.24 25.68 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 -1.18 0.00 -0.26 1.69 -1.32 -1.26 -5.11 115.64 108.20 2k3a s THR 33 Ca 0.00 -0.96 0.03 0.00 -1.21 0.00 0.00 61.69 59.55 2k3a s THR 33 Cb 0.00 -2.24 0.06 0.00 -1.51 0.00 0.00 72.50 68.81 2k3a s THR 33 CO 0.00 0.00 -0.11 -1.58 -2.21 0.00 0.00 174.62 170.72 2k3a s GLN 34 N -3.43 2.22 -0.58 7.08 0.74 -1.26 -4.64 119.66 119.79 2k3a s GLN 34 Ca 0.12 -1.36 -0.26 0.00 0.05 0.00 0.00 55.36 53.91 2k3a s GLN 34 Cb -0.05 -2.90 -0.04 0.00 1.10 0.00 0.00 33.01 31.12 2k3a s GLN 34 CO 0.08 -0.58 2.09 -1.25 -0.55 0.00 0.00 175.29 175.07 2k3a s PRO 35 N 1.10 2.40 -0.38 1.67 0.04 -1.22 -4.92 135.00 133.68 2k3a s PRO 35 Ca -0.09 0.89 -0.28 0.00 0.04 0.00 0.00 61.00 61.56 2k3a s PRO 35 Cb -0.20 -4.49 -0.01 0.00 0.04 0.00 0.00 34.50 29.84 2k3a s PRO 35 CO -0.05 -3.00 1.64 0.95 0.04 0.00 0.00 177.00 176.58 2k3a s THR 36 N 10.44 3.64 0.35 1.26 -4.23 -1.26 -4.90 115.64 120.94 2k3a s THR 36 Ca 0.79 0.64 0.04 0.00 -1.18 0.00 0.00 61.69 61.98 2k3a s THR 36 Cb -0.14 -3.89 -0.05 0.00 1.34 0.00 0.00 72.50 69.75 2k3a s THR 36 CO 0.22 -0.59 0.07 0.54 -0.54 0.00 0.00 174.62 174.32 2k3a s ASN 37 N 5.29 2.59 -0.96 3.99 6.03 -1.26 -5.08 114.94 125.54 2k3a s ASN 37 Ca 0.71 -1.45 -0.24 0.00 -1.03 0.00 0.00 52.86 50.86 2k3a s ASN 37 Cb -0.18 0.05 0.01 0.00 -3.03 0.00 0.00 41.25 38.09 2k3a s ASN 37 CO 0.33 -0.68 1.67 -1.10 -2.03 0.00 0.00 177.10 175.29 2k3a s GLN 38 N -3.85 3.13 0.26 3.55 -1.52 -1.26 -4.96 119.66 115.01 2k3a s GLN 38 Ca 0.33 -0.73 0.02 0.00 -1.95 0.00 0.00 55.36 53.02 2k3a s GLN 38 Cb 0.07 -5.21 -0.03 0.00 -0.22 0.00 0.00 33.01 27.62 2k3a s GLN 38 CO 0.15 -2.72 0.43 -1.54 -0.25 0.00 0.00 175.29 171.36 2k3a s SER 39 N 6.32 6.33 0.53 5.90 1.04 -1.26 -5.10 113.70 127.46 2k3a s SER 39 Ca 0.57 0.31 -0.16 0.00 0.48 0.00 0.00 55.95 57.14 2k3a s SER 39 Cb -0.03 -1.97 -0.07 0.00 0.10 0.00 0.00 66.02 64.05 2k3a s SER 39 CO -0.05 -0.14 1.00 0.42 0.98 0.00 0.00 173.24 175.45 2k3a s THR 40 N -2.06 4.36 -1.46 2.02 -4.23 -1.26 -4.95 115.64 108.07 2k3a s THR 40 Ca 0.37 1.13 -0.13 0.00 -1.18 0.00 0.00 61.69 61.88 2k3a s THR 40 Cb -0.10 -3.64 -0.01 0.00 1.34 0.00 0.00 72.50 70.09 2k3a s THR 40 CO 0.31 -0.65 2.43 0.35 -0.54 0.00 0.00 174.62 176.52 2k3a n THR 41 N -1.70 3.59 -3.50 3.99 -2.24 -1.26 -4.75 114.28 108.42 2k3a n THR 41 Ca 0.07 -2.76 -0.26 0.00 -2.27 0.00 0.00 64.05 58.83 2k3a n THR 41 Cb 0.54 -2.58 -0.14 0.00 -2.10 0.00 0.00 70.33 66.05 2k3a n THR 41 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2k3a s GLN 42 N 3.00 0.23 0.37 -0.78 -0.21 -1.26 -5.15 119.66 115.86 2k3a s GLN 42 Ca 0.54 -0.47 -0.24 0.00 0.02 0.00 0.00 55.36 55.21 2k3a s GLN 42 Cb 0.15 -1.05 -0.10 0.00 1.00 0.00 0.00 33.01 33.01 2k3a s GLN 42 CO -0.07 -1.03 0.95 -1.12 -2.12 0.00 0.00 175.29 171.90 2k3a s SER 43 N 2.12 7.15 0.40 5.90 0.01 -1.26 -4.82 113.70 123.20 2k3a s SER 43 Ca 0.09 1.79 0.08 0.00 1.31 0.00 0.00 55.95 59.22 2k3a s SER 43 Cb -0.16 -2.56 -0.03 0.00 0.21 0.00 0.00 66.02 63.48 2k3a s SER 43 CO -0.35 -0.21 0.32 0.28 0.41 0.00 0.00 173.24 173.70 2k3a s THR 44 N -1.85 2.79 -0.13 1.44 -1.32 -1.14 -5.06 115.64 110.37 2k3a s THR 44 Ca 0.55 -1.42 0.11 0.00 -1.21 0.00 0.00 61.69 59.73 2k3a s THR 44 Cb -0.15 -3.03 -0.16 0.00 -1.51 0.00 0.00 72.50 67.65 2k3a s THR 44 CO 0.20 -0.04 0.03 -0.24 -2.21 0.00 0.00 174.62 172.35 2k3a n SER 45 N -1.45 1.77 0.00 8.08 2.88 -1.26 -5.06 113.62 118.58 2k3a n SER 45 Ca 0.02 -0.01 0.00 0.00 -1.33 0.00 0.00 58.87 57.55 2k3a n SER 45 Cb 0.62 0.75 0.00 0.00 -0.75 0.00 0.00 64.21 64.83 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 2.21 -0.11 3.23 0.46 0.00 -1.25 -4.86 105.19 104.88 2k3a n GLY 46 Ca -0.22 -1.00 0.04 0.00 0.00 0.00 0.00 46.02 44.83 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 -0.32 0.67 1.61 0.15 0.39 -4.73 113.70 107.47 2k3a s SER 47 Ca 0.00 0.34 -0.14 0.00 0.70 0.00 0.00 55.95 56.85 2k3a s SER 47 Cb 0.00 1.32 0.00 0.00 -1.71 0.00 0.00 66.02 65.64 2k3a s SER 47 CO 0.00 -0.06 1.10 -0.44 1.20 0.00 0.00 173.24 175.04 2k3a s SER 48 N 2.49 5.11 0.04 5.45 0.01 -1.26 -4.64 113.70 120.90 2k3a s SER 48 Ca -0.02 1.95 0.00 0.00 1.31 0.00 0.00 55.95 59.19 2k3a s SER 48 Cb -0.05 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.63 2k3a s SER 48 CO -0.14 -1.63 0.00 0.00 0.41 0.00 0.00 173.24 171.88 2k3a n ALA 49 N -2.54 -2.51 -1.73 1.44 0.00 -1.26 -4.92 120.51 109.00 2k3a n ALA 49 Ca 0.10 0.25 -0.42 0.00 0.00 0.00 0.00 53.44 53.37 2k3a n ALA 49 Cb 0.52 -0.82 -0.03 0.00 0.00 0.00 0.00 19.45 19.12 2k3a n ALA 49 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2k3a n ASN 50 N 0.94 3.97 -2.12 0.00 2.85 -0.73 -4.89 115.26 115.28 2k3a n ASN 50 Ca 0.00 1.08 -0.27 0.00 -0.11 0.00 0.00 54.58 55.29 2k3a n ASN 50 Cb 0.00 -1.58 0.12 0.00 1.24 0.00 0.00 39.78 39.55 2k3a n ASN 50 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 2k3a n LEU 51 N 3.48 6.67 0.00 1.20 4.77 -1.26 -4.65 117.00 127.21 2k3a n LEU 51 Ca 0.14 -4.09 0.00 0.00 -0.03 0.00 0.00 56.01 52.03 2k3a n LEU 51 Cb 0.35 -0.82 0.00 0.00 -2.33 0.00 0.00 43.42 40.62 2k3a n LEU 51 CO 0.64 1.41 0.00 -1.22 -1.33 0.00 0.00 177.39 176.88 2k3a n TYR 52 N -0.99 0.00 -3.64 -1.77 4.01 -1.26 -5.09 117.16 108.43 2k3a n TYR 52 Ca 0.56 0.00 -0.02 0.00 -0.16 0.00 0.00 57.90 58.28 2k3a n TYR 52 Cb 1.03 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 40.02 2k3a n TYR 52 CO 0.00 0.00 0.00 -0.08 -0.46 0.00 0.00 176.86 176.32 2k3a s THR 53 N 0.00 0.00 -0.14 -0.72 -1.32 -1.26 -5.14 115.64 107.06 2k3a s THR 53 Ca 0.00 0.00 -0.29 0.00 -1.21 0.00 0.00 61.69 60.19 2k3a s THR 53 Cb 0.00 -1.00 -0.01 0.00 -1.51 0.00 0.00 72.50 69.98 2k3a s THR 53 CO 0.00 0.00 0.98 0.00 -2.21 0.00 0.00 174.62 173.39 2k3a s ALA 54 N -1.00 3.47 0.00 11.08 0.00 -1.26 -3.94 121.76 130.11 2k3a s ALA 54 Ca 0.08 0.29 0.00 0.00 0.00 0.00 0.00 51.96 52.33 2k3a s ALA 54 Cb -0.01 -3.42 0.00 0.00 0.00 0.00 0.00 23.12 19.69 2k3a s ALA 54 CO -0.08 -0.68 0.00 0.41 0.00 0.00 0.00 175.76 175.41 2k3a n GLY 55 N 3.18 1.81 3.21 0.00 0.00 -1.26 -5.14 105.19 106.99 2k3a n GLY 55 Ca 0.09 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.03 0.94 0.32 1.61 -1.52 -1.25 -5.04 119.66 114.69 2k3a s GLN 56 Ca 0.00 -1.11 0.02 0.00 -1.95 0.00 0.00 55.36 52.32 2k3a s GLN 56 Cb 0.00 -0.90 0.54 0.00 -0.22 0.00 0.00 33.01 32.43 2k3a s GLN 56 CO 0.00 0.19 1.88 0.00 -0.25 0.00 0.00 175.29 177.11 2k3a h THR 58 N 0.68 0.69 0.03 0.00 1.35 -1.94 -1.05 112.91 112.68 2k3a h THR 58 Ca 0.16 -0.19 -0.00 0.00 -0.55 0.00 0.00 66.41 65.82 2k3a h THR 58 Cb 0.23 1.12 0.00 0.00 -1.73 0.00 0.00 68.15 67.77 2k3a h THR 58 CO -0.01 0.05 -0.02 -0.25 -0.25 0.00 0.00 175.52 175.05 2k3a h TRP 59 N 0.00 -0.04 0.03 4.73 7.01 -1.44 -3.24 115.95 123.00 2k3a h TRP 59 Ca -0.00 -0.00 0.02 0.00 2.11 0.00 0.00 58.89 61.02 2k3a h TRP 59 Cb 0.11 0.01 -0.03 0.00 -2.10 0.00 0.00 29.16 27.15 2k3a h TRP 59 CO 0.00 0.38 -0.18 -0.92 -2.79 0.00 0.00 178.44 174.94 2k3a h TYR 60 N -0.99 -0.46 -0.28 2.65 3.20 -1.00 -2.01 116.97 118.07 2k3a h TYR 60 Ca -0.00 0.01 0.03 0.00 3.14 0.00 0.00 58.73 61.91 2k3a h TYR 60 Cb 0.44 0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.90 2k3a h TYR 60 CO 0.11 -0.26 0.19 0.28 -1.64 0.00 0.00 178.16 176.85 2k3a h VAL 61 N -0.30 1.00 -0.47 1.81 2.07 -1.39 -0.57 116.25 118.40 2k3a h VAL 61 Ca 0.05 -0.09 -0.04 0.00 0.82 0.00 0.00 66.70 67.43 2k3a h VAL 61 Cb 0.36 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 2k3a h VAL 61 CO -0.15 0.05 0.11 0.22 0.02 0.00 0.00 177.57 177.82 2k3a h TYR 62 N 0.26 0.73 -0.26 1.57 5.03 -1.40 -0.74 116.97 122.16 2k3a h TYR 62 Ca 0.12 -0.06 -0.09 0.00 2.58 0.00 0.00 58.73 61.28 2k3a h TYR 62 Cb 0.15 -0.22 -0.01 0.00 1.55 0.00 0.00 36.73 38.21 2k3a h TYR 62 CO -0.00 0.62 -0.17 0.22 -1.32 0.00 0.00 178.16 177.51 2k3a h ASP 63 N 0.69 0.60 0.09 -2.11 3.58 -0.71 -0.29 116.42 118.26 2k3a h ASP 63 Ca 0.16 -0.44 -0.06 0.00 0.42 0.00 0.00 57.03 57.11 2k3a h ASP 63 Cb 0.26 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 41.14 2k3a h ASP 63 CO -0.00 0.91 -0.18 0.11 -2.88 0.00 0.00 179.24 177.19 2k3a h LYS 64 N 0.29 0.19 -0.26 0.28 1.79 -0.96 -2.21 116.57 115.70 2k3a h LYS 64 Ca 0.05 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2k3a h LYS 64 Cb 0.70 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.33 2k3a h LYS 64 CO 0.05 0.38 0.00 1.55 -1.08 0.00 0.00 179.45 180.34 2k3a n VAL 65 N -4.24 0.34 -1.28 0.50 3.14 -0.32 -4.75 118.33 111.73 2k3a n VAL 65 Ca -0.01 -0.38 -0.10 0.00 -2.96 0.00 0.00 64.34 60.89 2k3a n VAL 65 Cb 0.30 0.24 -0.04 0.00 -1.06 0.00 0.00 33.84 33.27 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 1.03 1.05 2.51 7.55 0.00 -0.83 -1.99 105.19 114.52 2k3a n GLY 66 Ca 0.12 -0.28 -0.07 0.00 0.00 0.00 0.00 46.02 45.80 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 0.82 0.00 -0.02 0.00 -0.13 -4.57 105.19 100.23 2k3a n GLY 67 Ca -0.10 -0.20 0.10 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.40 0.00 -4.88 1.61 3.02 -0.84 -0.46 115.26 113.31 2k3a n ASN 68 Ca -0.07 0.02 -0.37 0.00 -0.03 0.00 0.00 54.58 54.13 2k3a n ASN 68 Cb 0.38 -0.29 -0.06 0.00 -0.61 0.00 0.00 39.78 39.20 2k3a n ASN 68 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 2k3a s ILE 69 N -2.59 5.41 -0.07 2.41 -4.36 -1.26 -3.82 121.20 116.93 2k3a s ILE 69 Ca 0.19 0.27 -0.30 0.00 -0.26 0.00 0.00 60.65 60.55 2k3a s ILE 69 Cb 0.14 -3.47 -0.03 0.00 1.25 0.00 0.00 42.46 40.34 2k3a s ILE 69 CO 0.31 0.57 1.17 -0.83 0.24 0.00 0.00 174.94 176.40 2k3a s GLY 70 N -1.17 2.13 -1.04 6.27 0.00 -1.26 -3.93 107.32 108.32 2k3a s GLY 70 Ca 0.18 0.58 -0.24 0.00 0.00 0.00 0.00 44.72 45.24 2k3a s GLY 70 CO 0.08 2.17 1.96 1.44 0.00 0.00 0.00 173.10 178.75 2k3a n SER 71 N 5.20 2.38 -0.17 1.64 7.64 -1.26 -3.96 113.62 125.08 2k3a n SER 71 Ca 0.11 -2.62 0.00 0.00 1.01 0.00 0.00 58.87 57.36 2k3a n SER 71 Cb 0.47 -1.60 0.00 0.00 -1.01 0.00 0.00 64.21 62.07 2k3a n SER 71 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 2k3a n THR 72 N 7.95 0.00 -0.06 0.44 5.66 -1.26 -4.93 114.28 122.09 2k3a n THR 72 Ca 0.44 0.00 -0.14 0.00 -3.05 0.00 0.00 64.05 61.31 2k3a n THR 72 Cb 0.46 0.33 -0.14 0.00 -1.55 0.00 0.00 70.33 69.43 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 0.61 -0.34 1.09 8.01 -1.25 -5.05 117.44 120.51 2k3a n TRP 73 Ca 0.00 0.18 0.00 0.00 -1.31 0.00 0.00 57.50 56.37 2k3a n TRP 73 Cb 0.53 -1.10 0.00 0.00 -2.01 0.00 0.00 31.31 28.73 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 1.85 0.33 3.76 6.99 0.00 -1.26 -4.43 105.19 112.43 2k3a n GLY 74 Ca -0.30 -0.77 -0.35 0.00 0.00 0.00 0.00 46.02 44.60 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 5.24 0.42 1.61 -0.87 -1.26 -4.87 114.94 111.21 2k3a s ASN 75 Ca 0.00 2.26 0.12 0.00 -1.57 0.00 0.00 52.86 53.67 2k3a s ASN 75 Cb 0.00 -2.58 0.98 0.00 -0.02 0.00 0.00 41.25 39.63 2k3a s ASN 75 CO 0.00 -1.55 1.99 0.00 -2.57 0.00 0.00 177.10 174.97 2k3a h ALA 76 N 0.72 1.94 0.00 0.60 0.00 -1.58 -0.88 119.26 120.06 2k3a h ALA 76 Ca -0.49 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.36 2k3a h ALA 76 Cb 1.28 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 2k3a h ALA 76 CO 0.55 -0.06 -0.21 -2.95 0.00 0.00 0.00 179.25 176.59 2k3a h ASN 77 N 0.46 0.00 1.12 0.00 7.08 -1.45 -2.31 115.58 120.48 2k3a h ASN 77 Ca 0.26 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.48 2k3a h ASN 77 Cb 0.42 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.66 2k3a h ASN 77 CO -0.07 0.21 -0.34 -3.20 -2.08 0.00 0.00 177.43 171.95 2k3a n ASN 78 N -4.02 0.72 0.08 6.14 5.15 -0.34 -4.38 115.26 118.62 2k3a n ASN 78 Ca -0.02 0.31 -0.12 0.00 -0.60 0.00 0.00 54.58 54.15 2k3a n ASN 78 Cb 0.28 -0.26 -0.07 0.00 -0.53 0.00 0.00 39.78 39.19 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 -1.16 -0.75 1.20 4.06 -1.36 -0.37 115.95 117.58 2k3a h TRP 79 Ca 0.00 0.03 0.10 0.00 2.06 0.00 0.00 58.89 61.08 2k3a h TRP 79 Cb 0.73 0.49 -0.07 0.00 -1.00 0.00 0.00 29.16 29.31 2k3a h TRP 79 CO 0.00 -0.45 0.39 0.00 -3.56 0.00 0.00 178.44 174.82 2k3a h ALA 80 N -0.79 1.05 -0.15 1.49 0.00 -1.76 0.33 119.26 119.43 2k3a h ALA 80 Ca -0.00 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 2k3a h ALA 80 Cb 0.57 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 2k3a h ALA 80 CO -0.22 -0.02 0.09 0.77 0.00 0.00 0.00 179.25 179.87 2k3a h SER 81 N 0.64 0.18 0.74 0.00 0.02 -1.73 -2.66 113.55 110.75 2k3a h SER 81 Ca 0.37 -0.05 -0.16 0.00 -0.84 0.00 0.00 61.79 61.11 2k3a h SER 81 Cb 0.39 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 62.86 2k3a h SER 81 CO -0.27 0.17 -0.75 0.00 -1.14 0.00 0.00 176.83 174.84 2k3a h ALA 82 N 1.01 0.75 0.66 3.77 0.00 -0.54 -2.66 119.26 122.25 2k3a h ALA 82 Ca 0.05 -0.68 -0.03 0.00 0.00 0.00 0.00 54.91 54.25 2k3a h ALA 82 Cb 0.03 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2k3a h ALA 82 CO -0.01 0.94 -0.44 0.00 0.00 0.00 0.00 179.25 179.74 2k3a h ALA 83 N 1.24 -1.09 -0.64 0.00 0.00 -0.24 0.22 119.26 118.75 2k3a h ALA 83 Ca -0.01 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 2k3a h ALA 83 Cb 1.33 0.56 -0.03 0.00 0.00 0.00 0.00 17.79 19.65 2k3a h ALA 83 CO 0.10 -1.13 0.29 0.66 0.00 0.00 0.00 179.25 179.17 2k3a h SER 84 N -1.04 0.83 -0.58 0.00 4.64 -1.53 0.26 113.55 116.13 2k3a h SER 84 Ca -0.08 -0.09 -0.06 0.00 -0.47 0.00 0.00 61.79 61.08 2k3a h SER 84 Cb 0.85 -0.21 -0.03 0.00 -0.31 0.00 0.00 62.40 62.71 2k3a h SER 84 CO 0.06 0.71 0.14 -1.28 -0.87 0.00 0.00 176.83 175.59 2k3a h SER 85 N 0.91 0.91 0.56 4.97 0.87 -1.32 -2.91 113.55 117.53 2k3a h SER 85 Ca 0.22 -0.18 0.00 0.00 -1.23 0.00 0.00 61.79 60.60 2k3a h SER 85 Cb 0.12 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 61.84 2k3a h SER 85 CO -0.03 0.89 -0.04 0.00 -0.53 0.00 0.00 176.83 177.12 2k3a n ALA 86 N -2.46 2.57 0.00 6.23 0.00 0.77 -4.88 120.51 122.74 2k3a n ALA 86 Ca 0.04 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.31 2k3a n ALA 86 Cb 0.25 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.26 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 1.31 0.85 3.82 0.00 0.00 -0.94 -4.97 105.19 105.26 2k3a n GLY 87 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 2k3a n GLY 87 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2k3a s TYR 88 N -2.00 2.58 -0.35 1.61 1.51 0.87 -4.82 117.35 116.75 2k3a s TYR 88 Ca 0.00 0.81 -0.01 0.00 -1.01 0.00 0.00 57.07 56.86 2k3a s TYR 88 Cb 0.00 -3.44 0.09 0.00 -0.11 0.00 0.00 41.96 38.50 2k3a s TYR 88 CO 0.00 -2.24 0.09 0.99 -1.11 0.00 0.00 175.55 173.28 2k3a s THR 89 N -3.37 2.92 -0.28 -0.71 2.01 -0.50 -3.99 115.64 111.72 2k3a s THR 89 Ca 0.64 -1.89 -0.10 0.00 0.31 0.00 0.00 61.69 60.65 2k3a s THR 89 Cb -0.13 -2.92 -0.04 0.00 0.01 0.00 0.00 72.50 69.42 2k3a s THR 89 CO 0.52 -0.46 0.15 -0.69 -0.69 0.00 0.00 174.62 173.46 2k3a s VAL 90 N 1.12 4.96 0.19 3.82 1.01 -1.26 0.54 120.40 130.78 2k3a s VAL 90 Ca 0.04 0.00 -0.05 0.00 0.00 0.00 0.00 61.98 61.97 2k3a s VAL 90 Cb -0.21 -3.37 -0.03 0.00 0.00 0.00 0.00 36.38 32.77 2k3a s VAL 90 CO -0.04 0.25 0.21 0.20 0.00 0.00 0.00 175.10 175.72 2k3a s ASN 91 N 1.70 0.11 -0.02 3.32 0.01 -0.25 -4.95 114.94 114.85 2k3a s ASN 91 Ca 0.07 -1.19 0.07 0.00 -0.71 0.00 0.00 52.86 51.10 2k3a s ASN 91 Cb -0.16 0.42 0.23 0.00 0.41 0.00 0.00 41.25 42.15 2k3a s ASN 91 CO 0.08 -0.89 1.11 0.59 -1.51 0.00 0.00 177.10 176.48 2k3a n ASN 92 N -0.26 1.62 -4.59 -1.22 4.13 -1.26 -0.82 115.26 112.85 2k3a n ASN 92 Ca -0.01 -2.08 -0.42 0.00 1.68 0.00 0.00 54.58 53.74 2k3a n ASN 92 Cb 0.64 -0.27 -0.03 0.00 -1.54 0.00 0.00 39.78 38.59 2k3a n ASN 92 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 2k3a s SER 93 N -0.81 5.69 -0.02 6.41 0.15 -1.26 -4.88 113.70 118.98 2k3a s SER 93 Ca 0.17 1.40 0.04 0.00 0.70 0.00 0.00 55.95 58.25 2k3a s SER 93 Cb 0.10 -2.52 0.13 0.00 -1.71 0.00 0.00 66.02 62.02 2k3a s SER 93 CO 0.10 -1.86 0.95 -0.81 1.20 0.00 0.00 173.24 172.82 2k3a n PRO 94 N 8.58 1.48 -1.82 5.44 -0.04 -1.26 -4.79 135.00 142.58 2k3a n PRO 94 Ca 0.25 -0.53 -0.37 0.00 -0.04 0.00 0.00 63.50 62.81 2k3a n PRO 94 Cb 0.47 -1.32 0.06 0.00 -0.04 0.00 0.00 33.50 32.66 2k3a n PRO 94 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 2k3a s GLU 95 N -1.62 2.74 0.71 0.54 2.56 -1.26 -4.80 118.70 117.57 2k3a s GLU 95 Ca 0.10 2.02 -0.16 0.00 0.00 0.00 0.00 54.97 56.93 2k3a s GLU 95 Cb 0.06 -1.92 0.03 0.00 2.00 0.00 0.00 34.13 34.30 2k3a s GLU 95 CO 0.05 -1.44 1.26 0.00 -0.56 0.00 0.00 175.26 174.56 2k3a s ALA 96 N -1.43 2.16 0.00 6.30 0.00 -1.26 -3.84 121.76 123.69 2k3a s ALA 96 Ca 0.80 1.06 0.00 0.00 0.00 0.00 0.00 51.96 53.82 2k3a s ALA 96 Cb -0.36 -3.53 0.00 0.00 0.00 0.00 0.00 23.12 19.24 2k3a s ALA 96 CO 0.39 -1.87 0.00 0.41 0.00 0.00 0.00 175.76 174.69 2k3a n GLY 97 N 0.71 0.76 3.25 0.00 0.00 0.01 -3.45 105.19 106.47 2k3a n GLY 97 Ca 0.15 -0.63 -0.15 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.62 1.83 -0.27 1.61 1.04 -1.25 -4.47 113.70 109.57 2k3a s SER 98 Ca 0.00 -0.98 -0.09 0.00 0.48 0.00 0.00 55.95 55.36 2k3a s SER 98 Cb 0.00 -0.02 -0.04 0.00 0.10 0.00 0.00 66.02 66.06 2k3a s SER 98 CO 0.00 -0.30 0.13 -0.63 0.98 0.00 0.00 173.24 173.41 2k3a s ILE 99 N -3.16 4.75 -0.16 -1.02 1.09 -1.07 -0.67 121.20 120.97 2k3a s ILE 99 Ca 0.16 -0.04 -0.14 0.00 -1.10 0.00 0.00 60.65 59.52 2k3a s ILE 99 Cb 0.01 -3.26 -0.05 0.00 -1.06 0.00 0.00 42.46 38.11 2k3a s ILE 99 CO 0.01 0.28 0.30 -1.48 -0.10 0.00 0.00 174.94 173.95 2k3a s LEU 100 N 1.68 4.25 -0.22 2.97 2.34 -0.79 -0.23 118.68 128.67 2k3a s LEU 100 Ca 0.07 0.52 -0.15 0.00 0.06 0.00 0.00 54.13 54.62 2k3a s LEU 100 Cb -0.16 -2.38 -0.04 0.00 -0.56 0.00 0.00 46.19 43.05 2k3a s LEU 100 CO 0.07 0.10 0.35 -1.58 -1.06 0.00 0.00 176.35 174.23 2k3a s GLN 101 N 0.45 4.13 -0.41 1.48 0.74 0.56 -2.64 119.66 123.97 2k3a s GLN 101 Ca 0.17 0.09 -0.12 0.00 0.05 0.00 0.00 55.36 55.55 2k3a s GLN 101 Cb -0.13 -3.56 0.05 0.00 1.10 0.00 0.00 33.01 30.47 2k3a s GLN 101 CO 0.04 -0.06 0.27 0.45 -0.55 0.00 0.00 175.29 175.44 2k3a s SER 102 N 1.15 5.84 0.00 6.67 0.15 0.13 -2.75 113.70 124.89 2k3a s SER 102 Ca 0.16 -1.19 0.24 0.00 0.70 0.00 0.00 55.95 55.86 2k3a s SER 102 Cb -0.15 -2.06 1.41 0.00 -1.71 0.00 0.00 66.02 63.50 2k3a s SER 102 CO 0.08 -0.49 1.90 0.35 1.20 0.00 0.00 173.24 176.28 2k3a n THR 103 N 5.04 0.00 0.24 6.45 -2.24 -1.26 -0.76 114.28 121.75 2k3a n THR 103 Ca -0.11 0.00 0.14 0.00 -2.27 0.00 0.00 64.05 61.80 2k3a n THR 103 Cb 0.45 -0.38 0.42 0.00 -2.10 0.00 0.00 70.33 68.72 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 3.72 0.99 -2.22 6.98 0.00 -1.94 -3.45 119.26 123.34 2k3a h ALA 104 Ca 0.00 -0.04 -0.47 0.00 0.00 0.00 0.00 54.91 54.40 2k3a h ALA 104 Cb 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2k3a h ALA 104 CO 0.00 0.05 -0.40 0.20 0.00 0.00 0.00 179.25 179.10 2k3a s GLY 105 N -4.21 1.26 0.15 0.00 0.00 -1.25 -5.02 107.32 98.25 2k3a s GLY 105 Ca 0.04 -1.17 -0.31 0.00 0.00 0.00 0.00 44.72 43.27 2k3a s GLY 105 CO 0.61 -1.18 1.61 -0.32 0.00 0.00 0.00 173.10 173.82 2k3a s GLY 106 N -3.94 1.51 0.00 0.20 0.00 -1.26 -0.86 107.32 102.97 2k3a s GLY 106 Ca 0.35 1.38 0.00 0.00 0.00 0.00 0.00 44.72 46.44 2k3a s GLY 106 CO 0.30 2.72 0.00 -1.72 0.00 0.00 0.00 173.10 174.40 2k3a n TYR 107 N 4.30 0.00 -0.27 1.90 4.01 -1.26 -4.78 117.16 121.06 2k3a n TYR 107 Ca 0.15 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 57.92 2k3a n TYR 107 Cb 0.38 -0.83 -0.01 0.00 -0.31 0.00 0.00 39.34 38.58 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 -1.55 -1.88 3.19 2.72 0.00 -0.04 -1.34 105.19 106.29 2k3a n GLY 108 Ca 0.00 -1.44 -0.13 0.00 0.00 0.00 0.00 46.02 44.46 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 -1.96 -0.12 0.02 1.61 2.46 0.06 -4.52 115.29 112.85 2k3a s HIS 109 Ca 0.00 0.17 -0.02 0.00 0.47 0.00 0.00 55.06 55.68 2k3a s HIS 109 Cb 0.00 0.05 -0.02 0.00 -0.13 0.00 0.00 32.58 32.48 2k3a s HIS 109 CO 0.00 -0.34 0.02 0.14 -2.47 0.00 0.00 174.74 172.10 2k3a s VAL 110 N -1.23 0.12 0.21 0.89 -7.23 -1.26 0.17 120.40 112.07 2k3a s VAL 110 Ca -0.13 -0.99 -0.10 0.00 -1.81 0.00 0.00 61.98 58.94 2k3a s VAL 110 Cb -0.06 -0.54 -0.01 0.00 0.56 0.00 0.00 36.38 36.34 2k3a s VAL 110 CO 0.03 -0.55 0.37 0.00 -0.31 0.00 0.00 175.10 174.65 2k3a s ALA 111 N -1.90 -0.05 -0.19 1.32 0.00 -1.08 -4.83 121.76 115.02 2k3a s ALA 111 Ca -0.11 -0.92 -0.08 0.00 0.00 0.00 0.00 51.96 50.85 2k3a s ALA 111 Cb -0.06 1.01 -0.04 0.00 0.00 0.00 0.00 23.12 24.03 2k3a s ALA 111 CO -0.02 -0.74 0.08 -0.47 0.00 0.00 0.00 175.76 174.60 2k3a s TYR 112 N -4.00 3.28 -0.45 0.00 5.04 -1.21 -1.88 117.35 118.13 2k3a s TYR 112 Ca 0.21 0.12 -0.28 0.00 -2.44 0.00 0.00 57.07 54.68 2k3a s TYR 112 Cb 0.02 -2.10 0.03 0.00 0.35 0.00 0.00 41.96 40.25 2k3a s TYR 112 CO 0.05 0.18 1.10 0.08 -1.34 0.00 0.00 175.55 175.61 2k3a s VAL 113 N 0.39 4.29 -0.10 3.14 1.01 0.16 -0.97 120.40 128.31 2k3a s VAL 113 Ca 0.04 1.22 -0.20 0.00 0.00 0.00 0.00 61.98 63.04 2k3a s VAL 113 Cb -0.12 -4.55 -0.27 0.00 0.00 0.00 0.00 36.38 31.43 2k3a s VAL 113 CO -0.00 -0.91 0.65 -0.33 0.00 0.00 0.00 175.10 174.50 2k3a h GLU 114 N 9.05 0.20 -2.11 2.72 4.39 -1.52 0.06 114.58 127.37 2k3a h GLU 114 Ca -0.23 -0.34 -0.06 0.00 0.34 0.00 0.00 59.36 59.07 2k3a h GLU 114 Cb 1.06 0.13 -0.19 0.00 -0.10 0.00 0.00 28.75 29.64 2k3a h GLU 114 CO 1.10 1.16 0.13 1.21 -1.16 0.00 0.00 179.01 181.45 2k3a s ASN 115 N -6.88 -0.63 -0.11 1.42 2.47 -1.19 -4.63 114.94 105.39 2k3a s ASN 115 Ca -0.19 0.76 -0.02 0.00 0.42 0.00 0.00 52.86 53.84 2k3a s ASN 115 Cb 0.02 0.65 -0.03 0.00 -1.45 0.00 0.00 41.25 40.45 2k3a s ASN 115 CO 0.75 -0.54 -0.05 -0.69 -3.72 0.00 0.00 177.10 172.85 2k3a s VAL 116 N -0.97 3.81 0.35 -5.21 1.01 -1.26 -0.95 120.40 117.18 2k3a s VAL 116 Ca -0.10 -0.41 0.01 0.00 0.00 0.00 0.00 61.98 61.48 2k3a s VAL 116 Cb -0.01 -2.61 -0.03 0.00 0.00 0.00 0.00 36.38 33.73 2k3a s VAL 116 CO 0.08 0.55 0.55 0.20 0.00 0.00 0.00 175.10 176.47 2k3a s ASN 117 N -0.20 6.22 0.61 3.32 0.01 -0.33 -4.98 114.94 119.59 2k3a s ASN 117 Ca 0.03 0.36 0.37 0.00 -0.71 0.00 0.00 52.86 52.91 2k3a s ASN 117 Cb -0.13 -1.91 2.01 0.00 0.41 0.00 0.00 41.25 41.63 2k3a s ASN 117 CO 0.03 -0.34 2.26 -1.28 -1.51 0.00 0.00 177.10 176.26 2k3a h SER 118 N 0.74 0.00 0.59 -1.22 0.87 -2.00 -0.32 113.55 112.21 2k3a h SER 118 Ca -0.49 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.07 2k3a h SER 118 Cb 1.23 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.19 2k3a h SER 118 CO 0.60 0.02 0.00 0.44 -0.53 0.00 0.00 176.83 177.36 2k3a h ASP 119 N 0.00 0.00 0.00 6.23 5.19 -2.04 -3.46 116.42 122.35 2k3a h ASP 119 Ca -0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2k3a h ASP 119 Cb 0.09 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.60 2k3a h ASP 119 CO 0.00 0.00 0.00 0.61 -3.12 0.00 0.00 179.24 176.73 2k3a n GLY 120 N -0.30 1.83 3.77 2.75 0.00 -0.13 -4.84 105.19 108.27 2k3a n GLY 120 Ca 0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.06 6.92 -0.18 1.61 0.01 -1.26 -4.05 113.70 114.70 2k3a s SER 121 Ca 0.00 2.34 -0.06 0.00 1.31 0.00 0.00 55.95 59.54 2k3a s SER 121 Cb 0.00 -2.62 -0.03 0.00 0.21 0.00 0.00 66.02 63.57 2k3a s SER 121 CO 0.00 -0.39 0.02 -0.69 0.41 0.00 0.00 173.24 172.59 2k3a s VAL 122 N -1.28 4.34 -0.31 3.43 1.01 0.48 -1.18 120.40 126.89 2k3a s VAL 122 Ca 0.50 -0.19 -0.18 0.00 0.00 0.00 0.00 61.98 62.11 2k3a s VAL 122 Cb -0.32 -2.95 -0.02 0.00 0.00 0.00 0.00 36.38 33.10 2k3a s VAL 122 CO 0.41 0.46 0.50 -1.61 0.00 0.00 0.00 175.10 174.86 2k3a s GLU 123 N 0.57 3.83 0.06 2.72 2.02 -0.12 -0.36 118.70 127.41 2k3a s GLU 123 Ca 0.01 0.04 0.05 0.00 0.02 0.00 0.00 54.97 55.09 2k3a s GLU 123 Cb -0.14 -3.74 -0.04 0.00 0.10 0.00 0.00 34.13 30.32 2k3a s GLU 123 CO 0.02 -0.50 -0.06 0.14 0.02 0.00 0.00 175.26 174.87 2k3a s VAL 124 N 2.35 3.66 -0.23 2.63 -7.23 -0.22 -1.29 120.40 120.06 2k3a s VAL 124 Ca 0.19 -0.98 -0.10 0.00 -1.81 0.00 0.00 61.98 59.28 2k3a s VAL 124 Cb -0.15 -2.67 -0.05 0.00 0.56 0.00 0.00 36.38 34.07 2k3a s VAL 124 CO 0.12 0.23 0.14 -0.94 -0.31 0.00 0.00 175.10 174.34 2k3a s SER 125 N -1.90 5.96 0.40 4.85 1.04 -0.14 -1.07 113.70 122.84 2k3a s SER 125 Ca 0.21 0.07 0.05 0.00 0.48 0.00 0.00 55.95 56.76 2k3a s SER 125 Cb -0.11 -2.07 -0.02 0.00 0.10 0.00 0.00 66.02 63.92 2k3a s SER 125 CO 0.12 0.07 0.17 -0.62 0.98 0.00 0.00 173.24 173.96 2k3a n GLU 126 N 4.27 0.55 -3.71 4.02 1.02 -0.32 -3.29 120.64 123.18 2k3a n GLU 126 Ca -0.15 -3.49 -0.22 0.00 -0.02 0.00 0.00 57.16 53.28 2k3a n GLU 126 Cb 0.52 2.01 -0.18 0.00 -0.02 0.00 0.00 31.44 33.78 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 -3.55 0.29 0.08 3.49 -2.45 -1.26 -1.01 119.30 114.89 2k3a s MET 127 Ca 0.23 0.16 0.00 0.00 -1.25 0.00 0.00 55.69 54.83 2k3a s MET 127 Cb 0.01 -0.95 0.00 0.00 1.25 0.00 0.00 34.83 35.14 2k3a s MET 127 CO 0.17 -0.37 0.00 0.09 1.05 0.00 0.00 175.02 175.96 2k3a n ASN 128 N 5.21 0.48 0.12 1.11 5.03 -1.26 -4.92 115.26 121.03 2k3a n ASN 128 Ca -0.06 0.12 0.00 0.00 0.87 0.00 0.00 54.58 55.51 2k3a n ASN 128 Cb 0.50 -0.11 0.00 0.00 -1.02 0.00 0.00 39.78 39.15 2k3a n ASN 128 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2k3a n TYR 129 N -3.06 -3.31 -1.63 3.10 4.19 -1.26 -5.10 117.16 110.09 2k3a n TYR 129 Ca 0.00 0.76 -0.51 0.00 3.31 0.00 0.00 57.90 61.46 2k3a n TYR 129 Cb 0.00 2.09 -0.06 0.00 0.49 0.00 0.00 39.34 41.86 2k3a n TYR 129 CO 0.00 0.00 0.00 -1.71 0.91 0.00 0.00 176.86 176.06 2k3a n ASN 130 N -3.00 2.81 0.00 2.98 5.15 -1.26 -3.58 115.26 118.36 2k3a n ASN 130 Ca 0.00 0.84 0.00 0.00 -0.60 0.00 0.00 54.58 54.82 2k3a n ASN 130 Cb 0.00 -1.28 0.00 0.00 -0.53 0.00 0.00 39.78 37.97 2k3a n ASN 130 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2k3a n GLY 131 N 4.94 2.23 0.00 8.20 0.00 -1.26 -4.57 105.19 114.72 2k3a n GLY 131 Ca 0.29 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.68 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 0.00 -0.45 0.35 -0.02 0.00 -1.23 -4.83 105.19 99.01 2k3a n GLY 132 Ca 0.00 -1.31 0.14 0.00 0.00 0.00 0.00 46.02 44.85 2k3a n GLY 132 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2k3a h PRO 133 N 0.58 0.26 0.00 1.61 0.11 -1.98 -3.12 132.00 129.46 2k3a h PRO 133 Ca 0.00 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 66.07 2k3a h PRO 133 Cb 0.00 -0.06 -0.06 0.00 0.11 0.00 0.00 31.00 30.99 2k3a h PRO 133 CO 0.00 0.17 -0.46 1.97 -0.21 0.00 0.00 178.00 179.47 2k3a n PHE 134 N -4.45 0.00 -3.62 0.65 -1.74 -1.26 -4.65 117.46 102.38 2k3a n PHE 134 Ca 0.09 -0.40 -0.24 0.00 -0.56 0.00 0.00 57.45 56.34 2k3a n PHE 134 Cb 0.41 -0.10 -0.02 0.00 1.52 0.00 0.00 39.48 41.30 2k3a n PHE 134 CO 0.00 0.00 0.00 -1.12 -0.56 0.00 0.00 176.76 175.08 2k3a s SER 135 N -1.72 6.33 0.25 5.98 0.01 -1.18 -5.11 113.70 118.25 2k3a s SER 135 Ca 0.15 0.34 0.11 0.00 1.31 0.00 0.00 55.95 57.86 2k3a s SER 135 Cb 0.14 -1.98 -0.05 0.00 0.21 0.00 0.00 66.02 64.34 2k3a s SER 135 CO -0.02 -0.17 -0.20 -0.69 0.41 0.00 0.00 173.24 172.57 2k3a s VAL 136 N -2.11 2.36 -0.02 3.43 1.01 -1.26 -4.58 120.40 119.22 2k3a s VAL 136 Ca 0.38 -2.28 0.00 0.00 0.00 0.00 0.00 61.98 60.08 2k3a s VAL 136 Cb -0.10 -2.21 0.02 0.00 0.00 0.00 0.00 36.38 34.09 2k3a s VAL 136 CO 0.32 -0.34 0.01 -0.55 0.00 0.00 0.00 175.10 174.54 2k3a s SER 137 N -3.25 0.23 0.28 3.32 0.15 -0.18 -4.90 113.70 109.35 2k3a s SER 137 Ca 0.26 0.00 -0.03 0.00 0.70 0.00 0.00 55.95 56.88 2k3a s SER 137 Cb -0.05 -0.12 -0.05 0.00 -1.71 0.00 0.00 66.02 64.09 2k3a s SER 137 CO 0.13 -0.09 0.52 -1.61 1.20 0.00 0.00 173.24 173.39 2k3a s GLU 138 N 0.84 3.58 -0.07 5.44 8.01 -1.26 -1.17 118.70 134.06 2k3a s GLU 138 Ca -0.08 -0.13 -0.05 0.00 0.01 0.00 0.00 54.97 54.73 2k3a s GLU 138 Cb -0.11 -2.69 0.03 0.00 -4.31 0.00 0.00 34.13 27.05 2k3a s GLU 138 CO -0.02 0.24 0.17 1.03 0.01 0.00 0.00 175.26 176.69 2k3a s ARG 139 N -3.66 0.16 -0.60 1.61 0.52 -0.23 -4.95 118.95 111.80 2k3a s ARG 139 Ca 0.42 0.31 -0.19 0.00 -0.52 0.00 0.00 55.73 55.75 2k3a s ARG 139 Cb -0.11 -0.01 0.11 0.00 0.52 0.00 0.00 34.95 35.46 2k3a s ARG 139 CO 0.31 -0.08 0.70 0.99 0.02 0.00 0.00 175.30 177.24 2k3a s THR 140 N 0.55 4.85 0.03 0.02 2.01 -1.26 -1.05 115.64 120.78 2k3a s THR 140 Ca -0.04 -1.05 -0.24 0.00 0.31 0.00 0.00 61.69 60.67 2k3a s THR 140 Cb -0.05 -4.49 -0.05 0.00 0.01 0.00 0.00 72.50 67.92 2k3a s THR 140 CO -0.03 -1.12 0.74 -0.63 -0.69 0.00 0.00 174.62 172.90 2k3a s ILE 141 N 2.60 4.77 0.56 1.82 1.01 0.51 -4.88 121.20 127.59 2k3a s ILE 141 Ca 0.11 1.58 -0.20 0.00 0.00 0.00 0.00 60.65 62.14 2k3a s ILE 141 Cb -0.24 -4.09 -0.05 0.00 0.01 0.00 0.00 42.46 38.09 2k3a s ILE 141 CO 0.06 0.36 1.19 -0.44 0.00 0.00 0.00 174.94 176.11 2k3a s SER 142 N -0.01 5.47 0.24 3.58 0.01 -1.26 -0.38 113.70 121.35 2k3a s SER 142 Ca 0.38 2.34 -0.05 0.00 1.31 0.00 0.00 55.95 59.93 2k3a s SER 142 Cb -0.20 -2.60 0.42 0.00 0.21 0.00 0.00 66.02 63.85 2k3a s SER 142 CO 0.22 -1.40 1.76 0.00 0.41 0.00 0.00 173.24 174.23 2k3a h ALA 143 N 1.16 1.07 -0.90 1.44 0.00 -1.89 0.10 119.26 120.24 2k3a h ALA 143 Ca -0.50 0.08 0.07 0.00 0.00 0.00 0.00 54.91 54.56 2k3a h ALA 143 Cb 1.28 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 19.02 2k3a h ALA 143 CO 0.56 -0.12 0.58 0.78 0.00 0.00 0.00 179.25 181.06 2k3a h GLY 144 N 0.55 1.30 1.11 0.00 0.00 -1.92 0.27 103.07 104.39 2k3a h GLY 144 Ca 0.40 -0.41 -0.34 0.00 0.00 0.00 0.00 47.33 46.98 2k3a h GLY 144 CO -0.34 0.29 -1.61 -2.09 0.00 0.00 0.00 176.54 172.79 2k3a h GLU 145 N 1.00 0.43 -0.27 4.80 4.57 -1.66 -3.39 114.58 120.07 2k3a h GLU 145 Ca 0.39 -0.73 -0.13 0.00 -1.18 0.00 0.00 59.36 57.71 2k3a h GLU 145 Cb 0.22 0.27 -0.00 0.00 -0.16 0.00 0.00 28.75 29.08 2k3a h GLU 145 CO -0.15 1.34 -0.32 0.00 -1.18 0.00 0.00 179.01 178.70 2k3a h ALA 146 N 0.19 0.41 0.00 2.92 0.00 -0.56 -3.22 119.26 118.99 2k3a h ALA 146 Ca -0.29 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.20 2k3a h ALA 146 Cb 2.11 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.82 2k3a h ALA 146 CO 0.21 0.45 0.00 0.43 0.00 0.00 0.00 179.25 180.34 2k3a n SER 147 N -4.24 0.59 0.01 0.00 7.64 0.06 -0.96 113.62 116.73 2k3a n SER 147 Ca -0.04 0.69 0.13 0.00 1.01 0.00 0.00 58.87 60.65 2k3a n SER 147 Cb 0.49 -0.80 0.40 0.00 -1.01 0.00 0.00 64.21 63.29 2k3a n SER 147 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2k3a n SER 148 N -2.20 0.35 -4.85 6.43 7.64 -1.22 -4.88 113.62 114.90 2k3a n SER 148 Ca 0.01 0.14 -0.32 0.00 1.01 0.00 0.00 58.87 59.71 2k3a n SER 148 Cb 0.16 -0.12 -0.05 0.00 -1.01 0.00 0.00 64.21 63.18 2k3a n SER 148 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 2k3a s TYR 149 N -3.02 3.39 -0.39 1.43 2.02 -0.13 -5.03 117.35 115.62 2k3a s TYR 149 Ca 0.12 1.30 -0.22 0.00 -0.37 0.00 0.00 57.07 57.89 2k3a s TYR 149 Cb 0.17 -2.62 0.01 0.00 -0.40 0.00 0.00 41.96 39.13 2k3a s TYR 149 CO 0.63 -0.06 0.73 -0.80 -1.57 0.00 0.00 175.55 174.47 2k3a s ASN 150 N -2.57 6.46 -0.31 2.29 0.01 -1.11 -4.65 114.94 115.06 2k3a s ASN 150 Ca 0.56 0.11 -0.19 0.00 -0.71 0.00 0.00 52.86 52.63 2k3a s ASN 150 Cb -0.10 -2.37 -0.01 0.00 0.41 0.00 0.00 41.25 39.18 2k3a s ASN 150 CO 0.22 -0.75 0.55 -0.31 -1.51 0.00 0.00 177.10 175.30 2k3a s TYR 151 N 3.01 3.22 -0.01 2.20 1.51 -0.00 -0.32 117.35 126.96 2k3a s TYR 151 Ca 0.28 0.46 -0.25 0.00 -1.01 0.00 0.00 57.07 56.55 2k3a s TYR 151 Cb -0.13 -2.88 -0.04 0.00 -0.11 0.00 0.00 41.96 38.79 2k3a s TYR 151 CO 0.18 -0.43 0.77 0.42 -1.11 0.00 0.00 175.55 175.38 2k3a s ILE 152 N 2.44 4.88 0.09 2.71 1.09 0.68 -1.09 121.20 132.00 2k3a s ILE 152 Ca 0.22 1.62 0.10 0.00 -1.10 0.00 0.00 60.65 61.48 2k3a s ILE 152 Cb -0.15 -4.11 -0.04 0.00 -1.06 0.00 0.00 42.46 37.10 2k3a s ILE 152 CO 0.11 0.29 -0.26 -1.00 -0.10 0.00 0.00 174.94 173.98 2k3a s HIS 153 N 0.45 2.33 -0.15 3.97 3.76 0.19 -2.60 115.29 123.25 2k3a s HIS 153 Ca 0.40 -0.38 -0.07 0.00 -0.15 0.00 0.00 55.06 54.85 2k3a s HIS 153 Cb -0.19 -1.32 -0.04 0.00 1.11 0.00 0.00 32.58 32.13 2k3a s HIS 153 CO 0.22 0.25 0.11 -0.51 -0.85 0.00 0.00 174.74 173.95 2k3a s LEU 154 N -1.71 4.14 0.00 0.89 1.43 -1.26 -1.42 118.68 120.75 2k3a s LEU 154 Ca 0.13 0.29 0.16 0.00 -1.03 0.00 0.00 54.13 53.68 2k3a s LEU 154 Cb -0.10 -2.03 0.12 0.00 0.03 0.00 0.00 46.19 44.22 2k3a s LEU 154 CO 0.05 0.30 1.00 -3.20 0.23 0.00 0.00 176.35 174.72