#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 0.00 -1.51 3.17 4.01 -1.26 -4.92 118.16 117.65 2k3a n LYS 2 Ca 0.00 0.00 -0.48 0.00 -0.51 0.00 0.00 58.31 57.32 2k3a n LYS 2 Cb 0.00 0.00 -0.06 0.00 -0.51 0.00 0.00 35.03 34.46 2k3a n LYS 2 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 2k3a n LYS 3 N 0.00 1.41 -3.26 1.97 4.01 -1.26 -4.93 118.16 116.11 2k3a n LYS 3 Ca 0.00 0.40 -0.39 0.00 -0.51 0.00 0.00 58.31 57.80 2k3a n LYS 3 Cb 0.00 -2.70 -0.07 0.00 -0.51 0.00 0.00 35.03 31.75 2k3a n LYS 3 CO 0.00 0.00 0.00 -1.17 -1.11 0.00 0.00 177.40 175.12 2k3a s LEU 4 N 7.36 4.11 -0.82 -0.35 0.20 -1.26 -5.02 118.68 122.91 2k3a s LEU 4 Ca 1.06 0.61 -0.25 0.00 0.69 0.00 0.00 54.13 56.23 2k3a s LEU 4 Cb -0.70 -2.67 0.01 0.00 -0.43 0.00 0.00 46.19 42.40 2k3a s LEU 4 CO 0.45 -0.21 1.59 -0.69 -0.29 0.00 0.00 176.35 177.21 2k3a s VAL 5 N 1.83 3.63 -0.05 1.68 1.01 -1.26 -4.98 120.40 122.27 2k3a s VAL 5 Ca 0.23 -0.11 -0.27 0.00 0.00 0.00 0.00 61.98 61.83 2k3a s VAL 5 Cb -0.15 -4.55 -0.03 0.00 0.00 0.00 0.00 36.38 31.65 2k3a s VAL 5 CO 0.09 -1.48 0.87 -0.89 0.00 0.00 0.00 175.10 173.69 2k3a s THR 6 N 7.19 4.93 -0.38 3.92 2.01 -1.26 -5.03 115.64 127.02 2k3a s THR 6 Ca 0.52 1.80 -0.22 0.00 0.31 0.00 0.00 61.69 64.11 2k3a s THR 6 Cb -0.07 -4.20 0.01 0.00 0.01 0.00 0.00 72.50 68.25 2k3a s THR 6 CO 0.06 0.17 0.71 0.00 -0.69 0.00 0.00 174.62 174.87 2k3a s ALA 7 N 1.12 3.41 -1.00 7.40 0.00 -1.26 -4.93 121.76 126.50 2k3a s ALA 7 Ca 0.45 -0.85 0.04 0.00 0.00 0.00 0.00 51.96 51.60 2k3a s ALA 7 Cb -0.19 -3.30 0.20 0.00 0.00 0.00 0.00 23.12 19.82 2k3a s ALA 7 CO 0.22 -1.54 0.86 0.25 0.00 0.00 0.00 175.76 175.56 2k3a n THR 8 N 5.78 0.62 -1.89 0.00 -2.24 -1.26 -4.94 114.28 110.35 2k3a n THR 8 Ca 0.01 -0.33 -0.41 0.00 -2.27 0.00 0.00 64.05 61.05 2k3a n THR 8 Cb 0.48 -0.36 -0.01 0.00 -2.10 0.00 0.00 70.33 68.34 2k3a n THR 8 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2k3a s THR 9 N -1.49 2.28 -0.16 4.28 2.01 -1.26 -5.03 115.64 116.28 2k3a s THR 9 Ca 0.13 0.26 -0.04 0.00 0.31 0.00 0.00 61.69 62.35 2k3a s THR 9 Cb 0.10 -3.16 0.08 0.00 0.01 0.00 0.00 72.50 69.52 2k3a s THR 9 CO 0.05 0.05 0.25 -1.48 -0.69 0.00 0.00 174.62 172.80 2k3a s LEU 10 N -1.23 -0.26 -0.23 4.42 2.34 -1.26 -5.13 118.68 117.32 2k3a s LEU 10 Ca 0.57 0.32 -0.29 0.00 0.06 0.00 0.00 54.13 54.78 2k3a s LEU 10 Cb -0.45 0.62 0.01 0.00 -0.56 0.00 0.00 46.19 45.81 2k3a s LEU 10 CO 0.53 -0.27 1.06 -0.89 -1.06 0.00 0.00 176.35 175.72 2k3a s THR 11 N 2.40 4.64 -0.19 5.48 2.01 -1.26 -5.03 115.64 123.69 2k3a s THR 11 Ca 0.04 1.97 0.01 0.00 0.31 0.00 0.00 61.69 64.02 2k3a s THR 11 Cb -0.13 -4.29 0.04 0.00 0.01 0.00 0.00 72.50 68.12 2k3a s THR 11 CO -0.10 -0.20 -0.09 0.00 -0.69 0.00 0.00 174.62 173.54 2k3a s ALA 12 N 3.26 1.90 0.12 7.40 0.00 -1.26 -5.13 121.76 128.05 2k3a s ALA 12 Ca 0.45 -1.13 -0.12 0.00 0.00 0.00 0.00 51.96 51.16 2k3a s ALA 12 Cb -0.15 -1.24 -0.06 0.00 0.00 0.00 0.00 23.12 21.66 2k3a s ALA 12 CO 0.07 -0.80 0.48 0.20 0.00 0.00 0.00 175.76 175.71 2k3a s GLY 13 N 1.44 2.39 -0.15 0.00 0.00 -1.26 -5.09 107.32 104.65 2k3a s GLY 13 Ca -0.01 -0.26 -0.03 0.00 0.00 0.00 0.00 44.72 44.43 2k3a s GLY 13 CO -0.08 -0.01 -0.07 -1.50 0.00 0.00 0.00 173.10 171.44 2k3a s ILE 14 N -1.45 3.60 0.78 0.90 1.10 -1.26 -5.12 121.20 119.75 2k3a s ILE 14 Ca 0.36 -0.46 -0.06 0.00 -0.51 0.00 0.00 60.65 59.98 2k3a s ILE 14 Cb -0.14 -2.56 0.17 0.00 0.15 0.00 0.00 42.46 40.07 2k3a s ILE 14 CO 0.19 0.50 1.07 0.61 -2.11 0.00 0.00 174.94 175.19 2k3a n GLY 15 N 3.58 -0.11 3.01 1.50 0.00 -1.26 -5.12 105.19 106.80 2k3a n GLY 15 Ca -0.18 -1.91 -0.23 0.00 0.00 0.00 0.00 46.02 43.70 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 -3.45 1.11 -1.10 4.61 0.00 -1.26 -5.08 121.76 116.58 2k3a s ALA 16 Ca 0.66 -0.37 -0.17 0.00 0.00 0.00 0.00 51.96 52.08 2k3a s ALA 16 Cb -0.03 -0.48 0.13 0.00 0.00 0.00 0.00 23.12 22.74 2k3a s ALA 16 CO 0.45 0.12 1.37 0.00 0.00 0.00 0.00 175.76 177.70 2k3a s ALA 17 N 0.52 3.55 0.21 0.00 0.00 -1.26 -5.01 121.76 119.77 2k3a s ALA 17 Ca -0.10 -2.98 -0.13 0.00 0.00 0.00 0.00 51.96 48.75 2k3a s ALA 17 Cb -0.14 -4.22 -0.07 0.00 0.00 0.00 0.00 23.12 18.70 2k3a s ALA 17 CO 0.02 -3.01 0.59 0.96 0.00 0.00 0.00 175.76 174.33 2k3a s ILE 18 N 2.69 4.83 0.03 0.00 -0.00 -1.26 -5.10 121.20 122.39 2k3a s ILE 18 Ca 0.41 0.76 0.08 0.00 -0.00 0.00 0.00 60.65 61.90 2k3a s ILE 18 Cb -0.02 -3.68 -0.02 0.00 -0.00 0.00 0.00 42.46 38.73 2k3a s ILE 18 CO -0.03 0.06 -0.22 -0.69 -0.00 0.00 0.00 174.94 174.05 2k3a s VAL 19 N -1.68 1.80 -0.11 8.37 1.01 -1.26 -5.14 120.40 123.39 2k3a s VAL 19 Ca 0.44 -1.19 -0.01 0.00 0.00 0.00 0.00 61.98 61.22 2k3a s VAL 19 Cb -0.13 -1.54 -0.03 0.00 0.00 0.00 0.00 36.38 34.68 2k3a s VAL 19 CO 0.20 0.31 -0.06 -0.83 0.00 0.00 0.00 175.10 174.72 2k3a s GLY 20 N -1.06 1.70 0.49 4.51 0.00 -1.26 -5.13 107.32 106.59 2k3a s GLY 20 Ca 0.09 -0.86 -0.03 0.00 0.00 0.00 0.00 44.72 43.93 2k3a s GLY 20 CO 0.01 -0.40 0.76 1.08 0.00 0.00 0.00 173.10 174.54 2k3a s LEU 21 N -0.30 3.53 -0.19 0.66 2.01 -1.26 -5.09 118.68 118.04 2k3a s LEU 21 Ca 0.05 0.54 -0.09 0.00 0.01 0.00 0.00 54.13 54.63 2k3a s LEU 21 Cb -0.13 -3.41 -0.05 0.00 0.01 0.00 0.00 46.19 42.62 2k3a s LEU 21 CO 0.02 -0.78 0.10 -0.62 1.01 0.00 0.00 176.35 176.09 2k3a s ASP 22 N -4.22 6.00 -0.30 2.29 2.15 -1.26 -5.07 116.67 116.27 2k3a s ASP 22 Ca 0.49 0.18 -0.04 0.00 0.43 0.00 0.00 52.55 53.62 2k3a s ASP 22 Cb -0.10 -2.04 0.18 0.00 -0.30 0.00 0.00 42.92 40.66 2k3a s ASP 22 CO 0.41 0.19 0.68 -2.28 -0.17 0.00 0.00 175.17 174.00 2k3a s HIS 23 N 0.31 -1.40 0.00 -5.34 2.46 -1.26 -5.16 115.29 104.90 2k3a s HIS 23 Ca 0.06 1.62 0.00 0.00 0.47 0.00 0.00 55.06 57.21 2k3a s HIS 23 Cb -0.11 0.54 0.00 0.00 -0.13 0.00 0.00 32.58 32.88 2k3a s HIS 23 CO -0.01 -0.76 0.00 0.41 -2.47 0.00 0.00 174.74 171.91 2k3a n GLY 24 N 5.42 1.78 3.87 1.59 0.00 -1.26 -5.13 105.19 111.47 2k3a n GLY 24 Ca -0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.68 2k3a n GLY 24 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2k3a s ASN 25 N 0.73 6.59 0.69 1.61 3.04 -1.26 -5.10 114.94 121.25 2k3a s ASN 25 Ca 0.00 1.07 0.01 0.00 0.04 0.00 0.00 52.86 53.98 2k3a s ASN 25 Cb 0.00 -2.29 0.12 0.00 -1.54 0.00 0.00 41.25 37.54 2k3a s ASN 25 CO 0.00 -0.26 0.95 -1.83 -3.04 0.00 0.00 177.10 172.92 2k3a s GLU 26 N -3.39 1.80 0.34 0.43 1.03 -1.26 -5.13 118.70 112.52 2k3a s GLU 26 Ca 0.50 -1.20 0.08 0.00 0.03 0.00 0.00 54.97 54.38 2k3a s GLU 26 Cb -0.10 -2.39 -0.04 0.00 -0.80 0.00 0.00 34.13 30.79 2k3a s GLU 26 CO 0.26 -1.33 0.15 0.00 -1.33 0.00 0.00 175.26 173.00 2k3a s ALA 27 N -3.05 3.51 -0.12 -0.84 0.00 -1.26 -5.13 121.76 114.87 2k3a s ALA 27 Ca 0.65 -1.84 -0.05 0.00 0.00 0.00 0.00 51.96 50.72 2k3a s ALA 27 Cb -0.05 -0.72 -0.04 0.00 0.00 0.00 0.00 23.12 22.31 2k3a s ALA 27 CO 0.43 0.02 0.07 -0.51 0.00 0.00 0.00 175.76 175.77 2k3a s ASP 28 N -3.85 5.77 0.25 0.00 1.11 -1.26 -5.11 116.67 113.57 2k3a s ASP 28 Ca 0.38 0.26 -0.07 0.00 0.18 0.00 0.00 52.55 53.29 2k3a s ASP 28 Cb -0.02 -1.81 -0.06 0.00 1.07 0.00 0.00 42.92 42.10 2k3a s ASP 28 CO 0.23 0.35 0.54 0.00 1.18 0.00 0.00 175.17 177.47 2k3a s ALA 29 N -0.67 3.60 0.14 5.23 0.00 -1.26 -5.11 121.76 123.69 2k3a s ALA 29 Ca 0.12 -0.41 0.02 0.00 0.00 0.00 0.00 51.96 51.69 2k3a s ALA 29 Cb -0.12 -2.37 0.02 0.00 0.00 0.00 0.00 23.12 20.66 2k3a s ALA 29 CO 0.02 0.40 0.16 0.00 0.00 0.00 0.00 175.76 176.34 2k3a n ALA 30 N -0.47 0.26 -3.70 0.00 0.00 -1.26 -5.15 120.51 110.19 2k3a n ALA 30 Ca -0.01 -0.52 -0.11 0.00 0.00 0.00 0.00 53.44 52.81 2k3a n ALA 30 Cb 0.53 0.17 -0.11 0.00 0.00 0.00 0.00 19.45 20.04 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 -2.60 0.32 -0.21 0.00 -1.05 -1.26 -5.16 118.70 108.74 2k3a s GLU 31 Ca 0.12 0.73 -0.30 0.00 -0.15 0.00 0.00 54.97 55.37 2k3a s GLU 31 Cb -0.01 -0.03 0.15 0.00 -0.44 0.00 0.00 34.13 33.81 2k3a s GLU 31 CO 0.08 -0.17 1.17 1.14 0.95 0.00 0.00 175.26 178.42 2k3a s GLN 32 N 1.52 0.34 -0.63 -4.83 -2.07 -1.26 -5.11 119.66 107.62 2k3a s GLN 32 Ca -0.08 0.04 -0.25 0.00 -1.82 0.00 0.00 55.36 53.25 2k3a s GLN 32 Cb -0.09 0.16 0.05 0.00 -1.09 0.00 0.00 33.01 32.04 2k3a s GLN 32 CO -0.11 -0.12 1.04 0.95 -1.32 0.00 0.00 175.29 175.73 2k3a s THR 33 N -1.34 4.19 -0.29 3.63 -4.23 -1.26 -4.96 115.64 111.37 2k3a s THR 33 Ca 0.04 0.13 0.01 0.00 -1.18 0.00 0.00 61.69 60.69 2k3a s THR 33 Cb -0.01 -4.69 0.15 0.00 1.34 0.00 0.00 72.50 69.30 2k3a s THR 33 CO -0.04 -1.42 0.37 -1.58 -0.54 0.00 0.00 174.62 171.42 2k3a s GLN 34 N 4.45 0.40 -0.86 3.99 2.00 -1.26 -5.10 119.66 123.29 2k3a s GLN 34 Ca 0.29 -0.01 -0.25 0.00 -2.00 0.00 0.00 55.36 53.40 2k3a s GLN 34 Cb -0.13 -0.43 -0.06 0.00 0.80 0.00 0.00 33.01 33.19 2k3a s GLN 34 CO 0.16 -1.04 2.01 -2.14 -0.50 0.00 0.00 175.29 173.77 2k3a s PRO 35 N 2.43 2.43 -0.12 1.67 0.02 -1.26 -4.96 135.00 135.20 2k3a s PRO 35 Ca 0.10 -0.09 -0.15 0.00 0.02 0.00 0.00 61.00 60.88 2k3a s PRO 35 Cb -0.13 -4.96 -0.05 0.00 0.02 0.00 0.00 34.50 29.38 2k3a s PRO 35 CO -0.30 -3.47 0.36 0.95 -0.33 0.00 0.00 177.00 174.22 2k3a s THR 36 N 10.66 5.23 -0.23 0.99 -4.23 -1.26 -4.98 115.64 121.83 2k3a s THR 36 Ca 0.73 0.71 0.22 0.00 -1.18 0.00 0.00 61.69 62.17 2k3a s THR 36 Cb -0.08 -3.70 -0.01 0.00 1.34 0.00 0.00 72.50 70.05 2k3a s THR 36 CO 0.02 0.40 1.03 0.78 -0.54 0.00 0.00 174.62 176.32 2k3a h ASN 37 N 6.35 0.00 -2.80 3.99 4.21 -2.05 -3.48 115.58 121.80 2k3a h ASN 37 Ca -0.43 0.00 -0.46 0.00 1.21 0.00 0.00 56.30 56.62 2k3a h ASN 37 Cb 1.18 0.00 0.03 0.00 -1.12 0.00 0.00 38.32 38.41 2k3a h ASN 37 CO 0.73 0.06 -0.06 -1.10 -1.29 0.00 0.00 177.43 175.78 2k3a s GLN 38 N -3.31 2.98 -0.69 0.81 -1.52 -1.26 -5.03 119.66 111.63 2k3a s GLN 38 Ca -0.01 -0.48 -0.27 0.00 -1.95 0.00 0.00 55.36 52.65 2k3a s GLN 38 Cb 0.09 -2.52 0.02 0.00 -0.22 0.00 0.00 33.01 30.39 2k3a s GLN 38 CO 0.79 -0.37 1.32 0.45 -0.25 0.00 0.00 175.29 177.23 2k3a s SER 39 N -4.25 6.14 -0.25 5.90 0.15 -1.26 -4.99 113.70 115.14 2k3a s SER 39 Ca 0.50 -0.23 -0.26 0.00 0.70 0.00 0.00 55.95 56.66 2k3a s SER 39 Cb -0.10 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.66 2k3a s SER 39 CO 0.39 -1.81 0.91 0.42 1.20 0.00 0.00 173.24 174.35 2k3a s THR 40 N 5.88 4.76 0.19 6.45 -4.23 -1.26 -5.03 115.64 122.40 2k3a s THR 40 Ca 0.40 1.70 -0.30 0.00 -1.18 0.00 0.00 61.69 62.31 2k3a s THR 40 Cb -0.08 -4.20 -0.09 0.00 1.34 0.00 0.00 72.50 69.46 2k3a s THR 40 CO 0.18 -0.15 1.40 -0.89 -0.54 0.00 0.00 174.62 174.61 2k3a s THR 41 N 3.03 3.00 -0.70 3.99 2.01 -1.26 -4.87 115.64 120.83 2k3a s THR 41 Ca 0.38 0.79 -0.27 0.00 0.31 0.00 0.00 61.69 62.90 2k3a s THR 41 Cb -0.15 -3.50 -0.13 0.00 0.01 0.00 0.00 72.50 68.72 2k3a s THR 41 CO 0.08 0.10 2.50 1.67 -0.69 0.00 0.00 174.62 178.28 2k3a n GLN 42 N 2.99 0.62 -4.15 4.92 7.27 -1.26 -4.60 117.38 123.17 2k3a n GLN 42 Ca 0.08 -0.06 -0.15 0.00 0.07 0.00 0.00 57.00 56.94 2k3a n GLN 42 Cb 0.41 -2.73 -0.11 0.00 2.41 0.00 0.00 30.24 30.22 2k3a n GLN 42 CO 0.00 0.00 0.00 -1.12 0.07 0.00 0.00 177.06 176.01 2k3a s SER 43 N 10.64 1.37 0.96 1.69 0.01 -1.18 -4.84 113.70 122.36 2k3a s SER 43 Ca 1.12 -0.70 -0.16 0.00 1.31 0.00 0.00 55.95 57.52 2k3a s SER 43 Cb -0.56 0.00 0.19 0.00 0.21 0.00 0.00 66.02 65.86 2k3a s SER 43 CO 0.34 -0.20 1.27 0.42 0.41 0.00 0.00 173.24 175.47 2k3a s THR 44 N -1.91 1.96 -0.36 1.44 -4.23 0.15 -4.97 115.64 107.72 2k3a s THR 44 Ca 0.00 0.00 -0.00 0.00 -1.18 0.00 0.00 61.69 60.51 2k3a s THR 44 Cb -0.06 -2.93 0.12 0.00 1.34 0.00 0.00 72.50 70.97 2k3a s THR 44 CO 0.01 0.00 0.18 -0.94 -0.54 0.00 0.00 174.62 173.32 2k3a s SER 45 N -4.69 3.50 -1.20 3.99 1.04 -1.26 -4.92 113.70 110.15 2k3a s SER 45 Ca 0.71 -2.03 -0.05 0.00 0.48 0.00 0.00 55.95 55.06 2k3a s SER 45 Cb -0.06 -0.67 0.21 0.00 0.10 0.00 0.00 66.02 65.60 2k3a s SER 45 CO 0.53 -0.34 1.96 0.61 0.98 0.00 0.00 173.24 176.97 2k3a n GLY 46 N 4.30 5.28 3.55 7.32 0.00 -1.25 -4.99 105.19 119.39 2k3a n GLY 46 Ca 0.05 -2.29 -0.43 0.00 0.00 0.00 0.00 46.02 43.35 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 -0.28 6.42 0.08 1.61 0.15 -1.26 -3.06 113.70 117.36 2k3a s SER 47 Ca 0.42 -0.07 -0.12 0.00 0.70 0.00 0.00 55.95 56.89 2k3a s SER 47 Cb 0.14 -2.37 0.01 0.00 -1.71 0.00 0.00 66.02 62.08 2k3a s SER 47 CO -0.03 -0.86 0.28 -0.44 1.20 0.00 0.00 173.24 173.39 2k3a s SER 48 N 2.06 -0.05 0.93 5.45 0.01 0.57 -4.95 113.70 117.73 2k3a s SER 48 Ca 0.29 -0.41 -0.11 0.00 1.31 0.00 0.00 55.95 57.03 2k3a s SER 48 Cb -0.13 0.37 0.12 0.00 0.21 0.00 0.00 66.02 66.60 2k3a s SER 48 CO 0.21 -0.71 0.96 0.00 0.41 0.00 0.00 173.24 174.11 2k3a n ALA 49 N 0.15 -1.28 -1.58 1.44 0.00 -1.26 -4.31 120.51 113.67 2k3a n ALA 49 Ca -0.17 -0.58 -0.41 0.00 0.00 0.00 0.00 53.44 52.29 2k3a n ALA 49 Cb 0.62 -2.10 -0.03 0.00 0.00 0.00 0.00 19.45 17.94 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 -3.55 2.89 -1.34 0.00 2.85 -1.26 -4.81 115.26 110.04 2k3a n ASN 50 Ca 0.11 -0.06 0.12 0.00 -0.11 0.00 0.00 54.58 54.64 2k3a n ASN 50 Cb 0.52 -1.56 0.31 0.00 1.24 0.00 0.00 39.78 40.30 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 13.23 3.92 -4.94 1.20 4.77 -1.26 -4.99 117.00 128.93 2k3a n LEU 51 Ca 0.33 -1.95 -0.24 0.00 -0.03 0.00 0.00 56.01 54.12 2k3a n LEU 51 Cb 0.48 -0.47 -0.01 0.00 -2.33 0.00 0.00 43.42 41.09 2k3a n LEU 51 CO 0.68 0.97 0.15 -0.47 -1.33 0.00 0.00 177.39 177.39 2k3a s TYR 52 N -1.05 3.49 0.30 -1.77 6.14 -1.26 -5.06 117.35 118.14 2k3a s TYR 52 Ca 0.48 0.33 -0.29 0.00 0.64 0.00 0.00 57.07 58.23 2k3a s TYR 52 Cb 0.25 -1.87 -0.10 0.00 0.42 0.00 0.00 41.96 40.66 2k3a s TYR 52 CO 0.33 0.16 1.20 -0.08 0.64 0.00 0.00 175.55 177.80 2k3a s THR 53 N -2.26 3.15 -0.46 4.34 -1.32 -1.26 -4.96 115.64 112.86 2k3a s THR 53 Ca 0.40 1.14 -0.29 0.00 -1.21 0.00 0.00 61.69 61.73 2k3a s THR 53 Cb -0.10 -3.73 0.02 0.00 -1.51 0.00 0.00 72.50 67.19 2k3a s THR 53 CO 0.35 0.27 1.22 0.00 -2.21 0.00 0.00 174.62 174.25 2k3a s ALA 54 N -1.07 3.12 0.00 11.08 0.00 -1.26 -3.71 121.76 129.92 2k3a s ALA 54 Ca 0.47 -0.38 0.00 0.00 0.00 0.00 0.00 51.96 52.05 2k3a s ALA 54 Cb -0.35 -3.91 0.00 0.00 0.00 0.00 0.00 23.12 18.85 2k3a s ALA 54 CO 0.46 -2.31 0.00 0.41 0.00 0.00 0.00 175.76 174.32 2k3a n GLY 55 N 4.93 1.13 3.83 0.00 0.00 -1.26 -5.14 105.19 108.67 2k3a n GLY 55 Ca 0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 2k3a n GLY 55 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2k3a s GLN 56 N 0.00 4.14 0.41 1.61 -1.52 -1.24 -4.97 119.66 118.09 2k3a s GLN 56 Ca 0.00 0.94 0.09 0.00 -1.95 0.00 0.00 55.36 54.44 2k3a s GLN 56 Cb 0.00 -2.28 0.90 0.00 -0.22 0.00 0.00 33.01 31.41 2k3a s GLN 56 CO 0.00 0.04 2.03 0.00 -0.25 0.00 0.00 175.29 177.11 2k3a h THR 58 N 0.54 0.67 0.93 0.00 1.35 -1.93 -3.26 112.91 111.20 2k3a h THR 58 Ca 0.20 -0.53 -0.05 0.00 -0.55 0.00 0.00 66.41 65.49 2k3a h THR 58 Cb 0.15 1.33 0.01 0.00 -1.73 0.00 0.00 68.15 67.90 2k3a h THR 58 CO -0.05 0.13 -0.44 -0.25 -0.25 0.00 0.00 175.52 174.65 2k3a h TRP 59 N 0.00 -1.15 -0.04 4.73 7.01 -1.28 -1.52 115.95 123.69 2k3a h TRP 59 Ca -0.00 -0.03 -0.05 0.00 2.11 0.00 0.00 58.89 60.92 2k3a h TRP 59 Cb 0.32 0.38 -0.01 0.00 -2.10 0.00 0.00 29.16 27.75 2k3a h TRP 59 CO 0.00 -0.72 -0.19 0.10 -2.79 0.00 0.00 178.44 174.84 2k3a h TYR 60 N -1.30 0.06 -0.54 2.65 -0.00 -1.68 -2.10 116.97 114.06 2k3a h TYR 60 Ca -0.13 -0.01 -0.02 0.00 0.00 0.00 0.00 58.73 58.57 2k3a h TYR 60 Cb 0.95 -0.02 -0.02 0.00 0.00 0.00 0.00 36.73 37.64 2k3a h TYR 60 CO 0.01 0.26 0.25 0.28 -0.00 0.00 0.00 178.16 178.96 2k3a h VAL 61 N 0.06 1.20 -0.72 -0.90 2.07 -1.58 0.94 116.25 117.33 2k3a h VAL 61 Ca 0.01 -0.59 0.04 0.00 0.82 0.00 0.00 66.70 66.99 2k3a h VAL 61 Cb 0.38 0.60 -0.04 0.00 -1.52 0.00 0.00 31.29 30.71 2k3a h VAL 61 CO 0.03 0.23 0.47 0.22 0.02 0.00 0.00 177.57 178.54 2k3a h TYR 62 N 0.72 0.82 0.04 1.57 5.03 -0.59 -0.33 116.97 124.23 2k3a h TYR 62 Ca 0.18 0.02 -0.19 0.00 2.58 0.00 0.00 58.73 61.32 2k3a h TYR 62 Cb 0.13 -0.27 0.02 0.00 1.55 0.00 0.00 36.73 38.16 2k3a h TYR 62 CO -0.00 0.47 -0.76 0.22 -1.32 0.00 0.00 178.16 176.76 2k3a h ASP 63 N 0.84 0.61 -0.49 -2.11 3.58 -1.16 0.24 116.42 117.93 2k3a h ASP 63 Ca 0.29 -0.80 0.02 0.00 0.42 0.00 0.00 57.03 56.97 2k3a h ASP 63 Cb 0.10 -0.19 -0.03 0.00 1.72 0.00 0.00 39.33 40.94 2k3a h ASP 63 CO -0.09 1.33 0.33 0.11 -2.88 0.00 0.00 179.24 178.04 2k3a h LYS 64 N -0.04 0.56 -0.18 0.28 1.79 -0.45 -1.30 116.57 117.23 2k3a h LYS 64 Ca -0.11 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.33 2k3a h LYS 64 Cb 1.48 -0.13 0.00 0.00 -1.58 0.00 0.00 32.23 32.00 2k3a h LYS 64 CO 0.15 0.37 0.00 1.55 -1.08 0.00 0.00 179.45 180.44 2k3a n VAL 65 N -4.47 0.24 -1.15 0.50 3.14 -0.17 -4.88 118.33 111.54 2k3a n VAL 65 Ca 0.05 -0.24 -0.05 0.00 -2.96 0.00 0.00 64.34 61.14 2k3a n VAL 65 Cb 0.12 0.12 -0.02 0.00 -1.06 0.00 0.00 33.84 33.00 2k3a n VAL 65 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2k3a n GLY 66 N 0.82 0.70 2.42 7.55 0.00 -0.49 -2.90 105.19 113.29 2k3a n GLY 66 Ca 0.07 -0.23 -0.10 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.18 1.12 0.07 -0.02 0.00 0.07 -4.71 105.19 100.54 2k3a n GLY 67 Ca -0.05 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.19 0.14 -4.49 1.61 3.02 -1.14 -0.32 115.26 113.89 2k3a n ASN 68 Ca -0.10 -2.00 -0.28 0.00 -0.03 0.00 0.00 54.58 52.17 2k3a n ASN 68 Cb 0.40 -0.06 -0.11 0.00 -0.61 0.00 0.00 39.78 39.40 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 -1.87 2.77 -0.04 2.41 -4.36 -1.17 -3.82 121.20 115.11 2k3a s ILE 69 Ca 0.00 -1.75 -0.30 0.00 -0.26 0.00 0.00 60.65 58.34 2k3a s ILE 69 Cb 0.00 -2.33 -0.03 0.00 1.25 0.00 0.00 42.46 41.35 2k3a s ILE 69 CO 0.00 -0.05 1.12 -0.83 0.24 0.00 0.00 174.94 175.42 2k3a s GLY 70 N -2.56 2.33 0.60 6.27 0.00 -1.23 -4.66 107.32 108.06 2k3a s GLY 70 Ca 0.21 0.58 0.40 0.00 0.00 0.00 0.00 44.72 45.91 2k3a s GLY 70 CO 0.12 2.04 2.20 1.76 0.00 0.00 0.00 173.10 179.22 2k3a h SER 71 N 7.17 0.00 0.00 1.64 0.02 -1.94 -2.89 113.55 117.55 2k3a h SER 71 Ca -0.35 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.60 2k3a h SER 71 Cb 1.17 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.71 2k3a h SER 71 CO 0.84 0.00 0.00 1.07 -1.14 0.00 0.00 176.83 177.60 2k3a n THR 72 N -2.97 0.00 0.00 -2.27 5.66 -1.26 -3.34 114.28 110.11 2k3a n THR 72 Ca -0.02 0.00 -0.17 0.00 -3.05 0.00 0.00 64.05 60.81 2k3a n THR 72 Cb 0.12 -0.34 -0.13 0.00 -1.55 0.00 0.00 70.33 68.43 2k3a n THR 72 CO 0.00 0.00 0.00 -0.50 -3.05 0.00 0.00 175.07 171.52 2k3a h TRP 73 N 0.00 0.41 0.00 1.09 4.06 -1.90 -3.51 115.95 116.10 2k3a h TRP 73 Ca 0.00 -0.26 0.00 0.00 2.06 0.00 0.00 58.89 60.69 2k3a h TRP 73 Cb 0.00 -0.03 0.00 0.00 -1.00 0.00 0.00 29.16 28.13 2k3a h TRP 73 CO 0.00 1.14 0.00 0.41 -3.56 0.00 0.00 178.44 176.43 2k3a n GLY 74 N 1.39 0.70 3.91 1.49 0.00 -1.21 -4.64 105.19 106.82 2k3a n GLY 74 Ca -0.12 -1.44 -0.28 0.00 0.00 0.00 0.00 46.02 44.19 2k3a n GLY 74 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k3a s ASN 75 N -4.00 5.89 0.56 1.61 2.20 -1.26 -4.90 114.94 115.03 2k3a s ASN 75 Ca 0.00 0.89 0.24 0.00 -0.94 0.00 0.00 52.86 53.05 2k3a s ASN 75 Cb 0.00 -1.99 1.52 0.00 -2.00 0.00 0.00 41.25 38.77 2k3a s ASN 75 CO 0.00 -0.89 2.14 0.00 -2.94 0.00 0.00 177.10 175.41 2k3a h ALA 76 N -0.08 1.92 -0.43 3.54 0.00 -1.77 -0.68 119.26 121.76 2k3a h ALA 76 Ca -0.46 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.41 2k3a h ALA 76 Cb 1.23 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 2k3a h ALA 76 CO 0.61 -0.18 0.10 -0.97 0.00 0.00 0.00 179.25 178.81 2k3a h ASN 77 N 0.00 0.59 0.57 0.00 -0.73 -1.30 -3.10 115.58 111.62 2k3a h ASN 77 Ca 0.06 -0.09 -0.04 0.00 1.87 0.00 0.00 56.30 58.10 2k3a h ASN 77 Cb 0.29 -0.15 -0.01 0.00 0.27 0.00 0.00 38.32 38.72 2k3a h ASN 77 CO -0.00 0.60 -1.47 -3.20 -0.37 0.00 0.00 177.43 172.99 2k3a n ASN 78 N -4.31 0.52 -0.37 1.15 5.15 -0.33 -4.65 115.26 112.42 2k3a n ASN 78 Ca 0.03 0.21 -0.03 0.00 -0.60 0.00 0.00 54.58 54.18 2k3a n ASN 78 Cb 0.21 0.96 0.01 0.00 -0.53 0.00 0.00 39.78 40.43 2k3a n ASN 78 CO 0.00 0.00 0.00 0.79 1.40 0.00 0.00 177.26 179.45 2k3a n TRP 79 N -2.57 -0.07 -0.18 1.20 7.02 -0.81 -0.15 117.44 121.88 2k3a n TRP 79 Ca -0.04 1.17 -0.02 0.00 -1.02 0.00 0.00 57.50 57.58 2k3a n TRP 79 Cb 0.63 -0.79 0.18 0.00 -2.42 0.00 0.00 31.31 28.91 2k3a n TRP 79 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2k3a h ALA 80 N 1.12 1.25 -0.10 6.99 0.00 -1.83 0.20 119.26 126.90 2k3a h ALA 80 Ca 0.29 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 2k3a h ALA 80 Cb 0.53 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 2k3a h ALA 80 CO -0.93 0.55 -0.07 1.03 0.00 0.00 0.00 179.25 179.84 2k3a h SER 81 N 0.92 0.23 -0.88 0.00 0.87 -0.85 -2.20 113.55 111.65 2k3a h SER 81 Ca 0.22 -0.44 -0.02 0.00 -1.23 0.00 0.00 61.79 60.31 2k3a h SER 81 Cb 0.17 -0.06 -0.04 0.00 -0.44 0.00 0.00 62.40 62.03 2k3a h SER 81 CO -0.02 0.62 0.47 0.00 -0.53 0.00 0.00 176.83 177.38 2k3a h ALA 82 N 0.61 1.17 -0.16 6.23 0.00 -0.66 -0.29 119.26 126.16 2k3a h ALA 82 Ca 0.02 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 54.84 2k3a h ALA 82 Cb 0.55 -0.35 -0.05 0.00 0.00 0.00 0.00 17.79 17.93 2k3a h ALA 82 CO 0.02 0.66 -0.16 0.00 0.00 0.00 0.00 179.25 179.77 2k3a h ALA 83 N 1.27 -0.06 -0.52 0.00 0.00 -0.56 0.54 119.26 119.94 2k3a h ALA 83 Ca 0.31 0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.31 2k3a h ALA 83 Cb 0.05 0.34 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 2k3a h ALA 83 CO -0.05 -0.61 0.30 0.77 0.00 0.00 0.00 179.25 179.67 2k3a h SER 84 N -0.19 0.47 0.53 0.00 0.02 -1.04 0.18 113.55 113.52 2k3a h SER 84 Ca 0.11 0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 61.04 2k3a h SER 84 Cb 0.35 -0.09 -0.00 0.00 0.14 0.00 0.00 62.40 62.80 2k3a h SER 84 CO -0.27 0.33 -0.16 -1.28 -1.14 0.00 0.00 176.83 174.31 2k3a h SER 85 N 0.59 0.00 0.57 3.07 0.87 -0.40 -2.56 113.55 115.69 2k3a h SER 85 Ca 0.22 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.78 2k3a h SER 85 Cb 0.06 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.02 2k3a h SER 85 CO -0.11 0.16 -0.74 0.00 -0.53 0.00 0.00 176.83 175.61 2k3a n ALA 86 N -2.27 3.35 -0.56 6.23 0.00 0.18 -4.97 120.51 122.48 2k3a n ALA 86 Ca -0.01 -0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.08 2k3a n ALA 86 Cb 0.30 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.68 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 1.40 0.90 3.39 0.00 0.00 -0.38 -4.64 105.19 105.86 2k3a n GLY 87 Ca 0.04 -0.15 -0.22 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.52 -1.07 -3.75 1.61 4.02 0.50 -0.68 117.16 117.29 2k3a n TYR 88 Ca 0.00 -2.02 -0.38 0.00 -0.01 0.00 0.00 57.90 55.49 2k3a n TYR 88 Cb 0.12 -0.42 -0.12 0.00 -0.02 0.00 0.00 39.34 38.90 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 -2.37 3.71 -0.28 -0.72 2.01 -1.24 -4.59 115.64 112.17 2k3a s THR 89 Ca 0.34 -1.30 0.00 0.00 0.31 0.00 0.00 61.69 61.03 2k3a s THR 89 Cb -0.03 -3.18 0.05 0.00 0.01 0.00 0.00 72.50 69.35 2k3a s THR 89 CO 0.21 -0.28 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.12 2k3a s VAL 90 N 1.36 2.65 0.04 3.82 1.01 -1.26 -0.13 120.40 127.89 2k3a s VAL 90 Ca -0.00 -1.41 -0.00 0.00 0.00 0.00 0.00 61.98 60.56 2k3a s VAL 90 Cb -0.20 -2.50 -0.03 0.00 0.00 0.00 0.00 36.38 33.64 2k3a s VAL 90 CO 0.01 -0.02 -0.04 0.20 0.00 0.00 0.00 175.10 175.26 2k3a s ASN 91 N 1.21 0.51 0.00 3.32 0.01 -0.12 -4.93 114.94 114.93 2k3a s ASN 91 Ca -0.06 -0.79 0.00 0.00 -0.71 0.00 0.00 52.86 51.31 2k3a s ASN 91 Cb -0.19 0.14 0.00 0.00 0.41 0.00 0.00 41.25 41.61 2k3a s ASN 91 CO -0.03 -0.44 0.80 0.59 -1.51 0.00 0.00 177.10 176.50 2k3a n ASN 92 N 0.74 0.36 -4.64 -1.22 4.13 -1.26 -0.97 115.26 112.40 2k3a n ASN 92 Ca -0.18 -1.96 -0.43 0.00 1.68 0.00 0.00 54.58 53.69 2k3a n ASN 92 Cb 0.58 -0.18 -0.02 0.00 -1.54 0.00 0.00 39.78 38.62 2k3a n ASN 92 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 2k3a s SER 93 N -0.65 6.70 -0.54 6.41 1.04 -1.26 -4.74 113.70 120.67 2k3a s SER 93 Ca 0.00 1.51 -0.27 0.00 0.48 0.00 0.00 55.95 57.66 2k3a s SER 93 Cb 0.00 -2.54 -0.01 0.00 0.10 0.00 0.00 66.02 63.57 2k3a s SER 93 CO 0.00 -1.01 1.72 -2.16 0.98 0.00 0.00 173.24 172.78 2k3a s PRO 94 N 4.05 2.96 0.02 4.02 0.04 -1.26 -4.80 135.00 140.04 2k3a s PRO 94 Ca 0.60 0.74 -0.02 0.00 0.04 0.00 0.00 61.00 62.36 2k3a s PRO 94 Cb -0.21 -4.28 -0.02 0.00 0.04 0.00 0.00 34.50 30.04 2k3a s PRO 94 CO 0.22 -2.33 0.02 -2.00 0.04 0.00 0.00 177.00 172.95 2k3a s GLU 95 N 6.32 0.43 0.61 4.56 2.12 -1.26 -4.93 118.70 126.55 2k3a s GLU 95 Ca 0.66 -0.68 -0.16 0.00 0.36 0.00 0.00 54.97 55.15 2k3a s GLU 95 Cb -0.14 0.16 -0.02 0.00 0.26 0.00 0.00 34.13 34.38 2k3a s GLU 95 CO 0.25 -0.09 1.09 0.00 -0.54 0.00 0.00 175.26 175.97 2k3a s ALA 96 N -1.97 2.60 -0.69 6.30 0.00 -1.26 -3.77 121.76 122.97 2k3a s ALA 96 Ca -0.11 0.55 -0.02 0.00 0.00 0.00 0.00 51.96 52.38 2k3a s ALA 96 Cb -0.06 -3.30 0.00 0.00 0.00 0.00 0.00 23.12 19.77 2k3a s ALA 96 CO -0.02 -1.01 0.20 0.41 0.00 0.00 0.00 175.76 175.34 2k3a n GLY 97 N -0.54 0.13 3.14 0.00 0.00 -0.80 -4.99 105.19 102.12 2k3a n GLY 97 Ca 0.10 -0.42 -0.10 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.82 0.96 -0.18 1.61 0.01 -1.25 -4.04 113.70 107.99 2k3a s SER 98 Ca 0.10 -0.95 -0.05 0.00 1.31 0.00 0.00 55.95 56.36 2k3a s SER 98 Cb -0.04 0.11 -0.03 0.00 0.21 0.00 0.00 66.02 66.27 2k3a s SER 98 CO 0.12 -0.46 -0.00 -0.63 0.41 0.00 0.00 173.24 172.68 2k3a s ILE 99 N -3.42 4.06 -0.15 1.44 1.09 -0.83 -0.80 121.20 122.60 2k3a s ILE 99 Ca 0.08 -0.29 -0.14 0.00 -1.10 0.00 0.00 60.65 59.20 2k3a s ILE 99 Cb 0.04 -2.82 -0.05 0.00 -1.06 0.00 0.00 42.46 38.58 2k3a s ILE 99 CO -0.05 0.46 0.32 -1.48 -0.10 0.00 0.00 174.94 174.08 2k3a s LEU 100 N 0.65 4.25 -0.19 2.97 2.34 -1.07 -0.18 118.68 127.46 2k3a s LEU 100 Ca -0.01 0.55 -0.12 0.00 0.06 0.00 0.00 54.13 54.62 2k3a s LEU 100 Cb -0.14 -2.41 -0.05 0.00 -0.56 0.00 0.00 46.19 43.03 2k3a s LEU 100 CO 0.02 0.09 0.21 -1.58 -1.06 0.00 0.00 176.35 174.03 2k3a s GLN 101 N 0.44 4.21 -0.20 1.48 0.74 0.87 -3.51 119.66 123.70 2k3a s GLN 101 Ca 0.18 -0.09 -0.03 0.00 0.05 0.00 0.00 55.36 55.47 2k3a s GLN 101 Cb -0.13 -3.44 -0.21 0.00 1.10 0.00 0.00 33.01 30.33 2k3a s GLN 101 CO 0.05 0.24 0.04 0.45 -0.55 0.00 0.00 175.29 175.52 2k3a n SER 102 N 3.66 2.04 0.00 6.67 2.88 -0.08 -2.71 113.62 126.08 2k3a n SER 102 Ca -0.14 0.05 0.00 0.00 -1.33 0.00 0.00 58.87 57.45 2k3a n SER 102 Cb 0.52 -0.64 0.00 0.00 -0.75 0.00 0.00 64.21 63.34 2k3a n SER 102 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 2k3a n THR 103 N -3.43 0.00 -0.70 2.46 -2.24 -1.26 -4.86 114.28 104.25 2k3a n THR 103 Ca -0.40 0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 61.07 2k3a n THR 103 Cb 1.00 0.00 0.17 0.00 -2.10 0.00 0.00 70.33 69.40 2k3a n THR 103 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2k3a s ALA 104 N 0.00 1.45 0.00 6.98 0.00 -1.26 -3.05 121.76 125.88 2k3a s ALA 104 Ca 0.00 0.57 0.00 0.00 0.00 0.00 0.00 51.96 52.53 2k3a s ALA 104 Cb 0.00 -3.44 0.00 0.00 0.00 0.00 0.00 23.12 19.68 2k3a s ALA 104 CO 0.00 -2.77 0.00 0.41 0.00 0.00 0.00 175.76 173.40 2k3a n GLY 105 N 0.19 0.40 0.00 0.00 0.00 -1.26 -3.89 105.19 100.63 2k3a n GLY 105 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 -2.00 2.19 0.40 -0.02 0.00 -1.25 -4.69 105.19 99.82 2k3a n GLY 106 Ca 0.00 -0.73 0.13 0.00 0.00 0.00 0.00 46.02 45.42 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 0.07 0.00 1.61 4.01 -1.26 -4.92 117.16 116.67 2k3a n TYR 107 Ca 0.00 -0.04 0.00 0.00 -0.16 0.00 0.00 57.90 57.70 2k3a n TYR 107 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 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 1.10 -1.46 3.15 2.72 0.00 -1.17 -0.98 105.19 108.56 2k3a n GLY 108 Ca 0.18 -1.49 -0.17 0.00 0.00 0.00 0.00 46.02 44.54 2k3a n GLY 108 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2k3a s HIS 109 N -3.23 1.11 0.11 1.61 2.46 -1.26 -4.50 115.29 111.59 2k3a s HIS 109 Ca 0.00 -0.46 -0.07 0.00 0.47 0.00 0.00 55.06 55.00 2k3a s HIS 109 Cb 0.00 -0.63 -0.01 0.00 -0.13 0.00 0.00 32.58 31.81 2k3a s HIS 109 CO 0.00 0.03 0.19 0.14 -2.47 0.00 0.00 174.74 172.63 2k3a s VAL 110 N -1.26 0.13 0.18 0.89 -7.23 -1.26 -0.90 120.40 110.93 2k3a s VAL 110 Ca -0.03 -1.35 -0.18 0.00 -1.81 0.00 0.00 61.98 58.61 2k3a s VAL 110 Cb -0.10 -1.54 0.04 0.00 0.56 0.00 0.00 36.38 35.33 2k3a s VAL 110 CO 0.02 -0.57 0.51 0.00 -0.31 0.00 0.00 175.10 174.74 2k3a s ALA 111 N -3.91 -1.03 -0.19 1.32 0.00 -1.23 -4.77 121.76 111.95 2k3a s ALA 111 Ca 0.10 -0.09 -0.13 0.00 0.00 0.00 0.00 51.96 51.84 2k3a s ALA 111 Cb 0.05 0.82 -0.04 0.00 0.00 0.00 0.00 23.12 23.95 2k3a s ALA 111 CO -0.07 -0.77 0.29 -0.47 0.00 0.00 0.00 175.76 174.74 2k3a s TYR 112 N -3.84 3.40 -0.48 0.00 5.04 -1.15 -2.58 117.35 117.73 2k3a s TYR 112 Ca 0.07 0.50 -0.28 0.00 -2.44 0.00 0.00 57.07 54.91 2k3a s TYR 112 Cb -0.00 -2.37 0.01 0.00 0.35 0.00 0.00 41.96 39.95 2k3a s TYR 112 CO -0.06 0.12 1.38 0.08 -1.34 0.00 0.00 175.55 175.73 2k3a s VAL 113 N 0.87 3.89 0.02 3.14 1.01 0.02 0.07 120.40 129.43 2k3a s VAL 113 Ca 0.15 0.85 -0.21 0.00 0.00 0.00 0.00 61.98 62.78 2k3a s VAL 113 Cb -0.13 -4.34 -0.17 0.00 0.00 0.00 0.00 36.38 31.73 2k3a s VAL 113 CO 0.05 -0.95 1.25 -0.33 0.00 0.00 0.00 175.10 175.11 2k3a h GLU 114 N 10.70 0.36 -1.82 2.72 4.39 -1.00 -2.13 114.58 127.78 2k3a h GLU 114 Ca -0.27 -0.25 -0.00 0.00 0.34 0.00 0.00 59.36 59.19 2k3a h GLU 114 Cb 1.09 0.04 -0.21 0.00 -0.10 0.00 0.00 28.75 29.57 2k3a h GLU 114 CO 1.13 0.86 0.33 1.21 -1.16 0.00 0.00 179.01 181.38 2k3a s ASN 115 N -6.30 -0.55 -0.11 1.42 2.47 -1.17 -4.68 114.94 106.02 2k3a s ASN 115 Ca -0.14 0.63 0.04 0.00 0.42 0.00 0.00 52.86 53.80 2k3a s ASN 115 Cb 0.04 0.49 0.00 0.00 -1.45 0.00 0.00 41.25 40.34 2k3a s ASN 115 CO 0.77 -0.48 -0.23 -0.69 -3.72 0.00 0.00 177.10 172.75 2k3a s VAL 116 N -1.06 1.99 0.43 -5.21 1.01 -1.26 -0.87 120.40 115.43 2k3a s VAL 116 Ca -0.07 -0.97 -0.12 0.00 0.00 0.00 0.00 61.98 60.82 2k3a s VAL 116 Cb -0.00 -1.73 -0.07 0.00 0.00 0.00 0.00 36.38 34.57 2k3a s VAL 116 CO 0.06 0.54 0.83 0.20 0.00 0.00 0.00 175.10 176.73 2k3a s ASN 117 N 0.47 6.56 0.41 3.32 0.01 -0.62 -4.96 114.94 120.12 2k3a s ASN 117 Ca -0.16 1.26 0.10 0.00 -0.71 0.00 0.00 52.86 53.35 2k3a s ASN 117 Cb -0.17 -2.38 0.91 0.00 0.41 0.00 0.00 41.25 40.02 2k3a s ASN 117 CO 0.06 -0.45 2.00 -1.28 -1.51 0.00 0.00 177.10 175.92 2k3a h SER 118 N 1.19 0.47 -0.73 -1.22 0.87 -2.01 0.16 113.55 112.27 2k3a h SER 118 Ca -0.47 0.00 0.19 0.00 -1.23 0.00 0.00 61.79 60.28 2k3a h SER 118 Cb 1.19 -0.10 -0.04 0.00 -0.44 0.00 0.00 62.40 63.01 2k3a h SER 118 CO 0.63 0.30 0.51 -0.78 -0.53 0.00 0.00 176.83 176.97 2k3a h ASP 119 N 0.53 0.13 0.00 6.23 3.58 -2.05 -3.46 116.42 121.39 2k3a h ASP 119 Ca 0.25 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.71 2k3a h ASP 119 Cb 0.31 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.35 2k3a h ASP 119 CO -0.07 0.06 0.00 0.61 -2.88 0.00 0.00 179.24 176.96 2k3a n GLY 120 N -1.62 2.57 3.69 -0.78 0.00 0.54 -4.83 105.19 104.77 2k3a n GLY 120 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 2k3a n GLY 120 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2k3a s SER 121 N -1.66 6.47 -0.29 1.61 1.04 -1.26 -3.63 113.70 115.98 2k3a s SER 121 Ca 0.00 2.70 -0.10 0.00 0.48 0.00 0.00 55.95 59.03 2k3a s SER 121 Cb 0.00 -2.57 -0.02 0.00 0.10 0.00 0.00 66.02 63.53 2k3a s SER 121 CO 0.00 -0.97 0.15 -0.69 0.98 0.00 0.00 173.24 172.71 2k3a s VAL 122 N 2.55 4.75 -0.58 5.02 1.01 0.58 -1.59 120.40 132.13 2k3a s VAL 122 Ca 0.78 -0.19 -0.21 0.00 0.00 0.00 0.00 61.98 62.36 2k3a s VAL 122 Cb -0.45 -3.33 0.07 0.00 0.00 0.00 0.00 36.38 32.67 2k3a s VAL 122 CO 0.35 0.18 0.81 -1.61 0.00 0.00 0.00 175.10 174.83 2k3a s GLU 123 N 1.66 3.14 -0.22 2.72 2.02 -0.05 -0.73 118.70 127.24 2k3a s GLU 123 Ca 0.06 -0.85 -0.07 0.00 0.02 0.00 0.00 54.97 54.13 2k3a s GLU 123 Cb -0.16 -4.17 -0.03 0.00 0.10 0.00 0.00 34.13 29.87 2k3a s GLU 123 CO 0.07 -1.54 0.05 0.14 0.02 0.00 0.00 175.26 174.00 2k3a s VAL 124 N 3.36 4.29 -0.18 2.63 -7.23 0.25 -0.32 120.40 123.20 2k3a s VAL 124 Ca 0.19 -0.19 -0.28 0.00 -1.81 0.00 0.00 61.98 59.89 2k3a s VAL 124 Cb -0.18 -2.97 -0.00 0.00 0.56 0.00 0.00 36.38 33.78 2k3a s VAL 124 CO 0.11 0.39 0.98 -0.55 -0.31 0.00 0.00 175.10 175.73 2k3a s SER 125 N 1.17 7.10 -0.02 4.85 0.15 0.11 0.38 113.70 127.45 2k3a s SER 125 Ca 0.04 1.37 0.02 0.00 0.70 0.00 0.00 55.95 58.08 2k3a s SER 125 Cb -0.14 -2.52 -0.00 0.00 -1.71 0.00 0.00 66.02 61.64 2k3a s SER 125 CO 0.03 -0.55 -0.08 -1.83 1.20 0.00 0.00 173.24 172.01 2k3a s GLU 126 N 2.66 0.78 -0.18 5.44 -1.05 -0.40 -2.92 118.70 123.02 2k3a s GLU 126 Ca 0.44 -0.28 -0.29 0.00 -0.15 0.00 0.00 54.97 54.69 2k3a s GLU 126 Cb -0.16 -0.74 -0.00 0.00 -0.44 0.00 0.00 34.13 32.78 2k3a s GLU 126 CO 0.11 0.13 1.00 1.41 0.95 0.00 0.00 175.26 178.86 2k3a s MET 127 N 0.05 4.31 0.08 -4.83 -2.45 -1.26 -1.21 119.30 113.99 2k3a s MET 127 Ca -0.00 1.32 0.10 0.00 -1.25 0.00 0.00 55.69 55.86 2k3a s MET 127 Cb -0.06 -3.60 -0.19 0.00 1.25 0.00 0.00 34.83 32.23 2k3a s MET 127 CO -0.00 -0.49 1.10 -0.91 1.05 0.00 0.00 175.02 175.77 2k3a h ASN 128 N 7.33 0.00 0.00 1.11 -0.26 -1.04 -3.48 115.58 119.24 2k3a h ASN 128 Ca -0.24 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.50 2k3a h ASN 128 Cb 1.10 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.36 2k3a h ASN 128 CO 0.92 0.95 0.00 0.00 -1.06 0.00 0.00 177.43 178.24 2k3a n TYR 129 N -3.24 0.00 -1.53 1.19 9.36 -0.67 -4.87 117.16 117.40 2k3a n TYR 129 Ca -0.05 0.00 -0.25 0.00 3.32 0.00 0.00 57.90 60.92 2k3a n TYR 129 Cb 0.95 0.00 -0.13 0.00 -0.63 0.00 0.00 39.34 39.54 2k3a n TYR 129 CO 0.00 0.00 0.00 -1.71 0.22 0.00 0.00 176.86 175.37 2k3a n ASN 130 N 2.03 0.63 0.00 2.98 5.15 -1.26 -0.82 115.26 123.97 2k3a n ASN 130 Ca 0.00 -0.73 0.00 0.00 -0.60 0.00 0.00 54.58 53.25 2k3a n ASN 130 Cb 0.00 -1.17 0.00 0.00 -0.53 0.00 0.00 39.78 38.08 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 6.21 3.85 3.64 8.20 0.00 -1.26 -5.04 105.19 120.79 2k3a n GLY 131 Ca 0.55 -0.57 -0.02 0.00 0.00 0.00 0.00 46.02 45.98 2k3a n GLY 131 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2k3a s GLY 132 N 0.00 -0.35 0.47 -0.02 0.00 -0.00 -4.99 107.32 102.43 2k3a s GLY 132 Ca 0.00 0.72 0.19 0.00 0.00 0.00 0.00 44.72 45.63 2k3a s GLY 132 CO 0.00 0.18 2.02 -0.56 0.00 0.00 0.00 173.10 174.74 2k3a h PRO 133 N 2.00 0.00 0.00 2.90 0.13 -2.01 -2.74 132.00 132.28 2k3a h PRO 133 Ca -0.24 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.89 2k3a h PRO 133 Cb 1.21 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.33 2k3a h PRO 133 CO 0.27 0.17 -0.41 1.19 -0.23 0.00 0.00 178.00 178.98 2k3a n PHE 134 N -4.08 0.00 -1.90 1.56 3.72 -1.26 -4.95 117.46 110.55 2k3a n PHE 134 Ca -0.02 -1.39 -0.23 0.00 -0.05 0.00 0.00 57.45 55.76 2k3a n PHE 134 Cb 0.24 -0.23 -0.07 0.00 -0.94 0.00 0.00 39.48 38.48 2k3a n PHE 134 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 2k3a s SER 135 N -3.15 4.54 0.18 4.37 0.01 -1.04 -4.91 113.70 113.70 2k3a s SER 135 Ca 0.37 -1.13 0.07 0.00 1.31 0.00 0.00 55.95 56.56 2k3a s SER 135 Cb 0.35 -2.58 -0.04 0.00 0.21 0.00 0.00 66.02 63.96 2k3a s SER 135 CO -0.05 -3.52 0.05 -0.69 0.41 0.00 0.00 173.24 169.44 2k3a s VAL 136 N 12.72 3.95 -0.08 3.43 1.01 -1.26 -0.37 120.40 139.80 2k3a s VAL 136 Ca 0.74 -1.35 -0.06 0.00 0.00 0.00 0.00 61.98 61.31 2k3a s VAL 136 Cb -0.04 -3.01 0.03 0.00 0.00 0.00 0.00 36.38 33.35 2k3a s VAL 136 CO 0.11 -0.13 0.19 -0.44 0.00 0.00 0.00 175.10 174.83 2k3a s SER 137 N -3.07 -0.20 -0.86 3.32 0.01 -0.35 -4.88 113.70 107.67 2k3a s SER 137 Ca 0.29 0.39 -0.23 0.00 1.31 0.00 0.00 55.95 57.72 2k3a s SER 137 Cb -0.09 0.36 0.07 0.00 0.21 0.00 0.00 66.02 66.57 2k3a s SER 137 CO 0.20 -0.09 1.22 -1.61 0.41 0.00 0.00 173.24 173.37 2k3a s GLU 138 N 0.45 3.41 -0.37 12.44 8.01 -1.26 -1.27 118.70 140.11 2k3a s GLU 138 Ca -0.03 -1.06 -0.28 0.00 0.01 0.00 0.00 54.97 53.60 2k3a s GLU 138 Cb -0.04 -4.77 -0.01 0.00 -4.31 0.00 0.00 34.13 25.00 2k3a s GLU 138 CO -0.02 -1.99 1.69 0.50 0.01 0.00 0.00 175.26 175.45 2k3a s ARG 139 N 4.30 3.36 -0.74 1.61 3.52 0.16 -4.70 118.95 126.47 2k3a s ARG 139 Ca 0.35 1.24 -0.23 0.00 -0.13 0.00 0.00 55.73 56.96 2k3a s ARG 139 Cb -0.07 -4.16 0.06 0.00 -1.56 0.00 0.00 34.95 29.23 2k3a s ARG 139 CO -0.01 -1.83 1.11 0.99 -0.81 0.00 0.00 175.30 174.75 2k3a s THR 140 N 6.60 4.16 0.17 4.11 2.01 -1.26 -0.58 115.64 130.85 2k3a s THR 140 Ca 0.74 -0.29 -0.17 0.00 0.31 0.00 0.00 61.69 62.28 2k3a s THR 140 Cb -0.19 -4.79 -0.07 0.00 0.01 0.00 0.00 72.50 67.45 2k3a s THR 140 CO 0.33 -1.61 0.61 -0.63 -0.69 0.00 0.00 174.62 172.63 2k3a s ILE 141 N 4.47 4.74 0.51 1.82 1.01 0.09 -4.88 121.20 128.97 2k3a s ILE 141 Ca 0.29 1.03 -0.21 0.00 0.00 0.00 0.00 60.65 61.76 2k3a s ILE 141 Cb -0.12 -3.79 -0.06 0.00 0.01 0.00 0.00 42.46 38.49 2k3a s ILE 141 CO 0.08 0.26 1.16 -0.44 0.00 0.00 0.00 174.94 176.00 2k3a s SER 142 N -1.64 5.83 0.19 3.58 0.01 -1.26 -0.31 113.70 120.11 2k3a s SER 142 Ca 0.39 2.28 -0.15 0.00 1.31 0.00 0.00 55.95 59.78 2k3a s SER 142 Cb -0.16 -2.59 0.18 0.00 0.21 0.00 0.00 66.02 63.66 2k3a s SER 142 CO 0.20 -1.15 1.65 0.00 0.41 0.00 0.00 173.24 174.35 2k3a h ALA 143 N 1.54 0.36 -0.26 1.44 0.00 -1.88 0.21 119.26 120.67 2k3a h ALA 143 Ca -0.50 0.21 0.03 0.00 0.00 0.00 0.00 54.91 54.65 2k3a h ALA 143 Cb 1.26 0.40 -0.03 0.00 0.00 0.00 0.00 17.79 19.42 2k3a h ALA 143 CO 0.58 -0.43 0.05 0.78 0.00 0.00 0.00 179.25 180.23 2k3a h GLY 144 N 0.01 0.29 1.22 0.00 0.00 -1.92 -0.36 103.07 102.30 2k3a h GLY 144 Ca 0.26 -0.02 -0.16 0.00 0.00 0.00 0.00 47.33 47.41 2k3a h GLY 144 CO -0.55 -0.01 -0.44 -2.09 0.00 0.00 0.00 176.54 173.45 2k3a h GLU 145 N 0.15 0.84 -0.12 4.80 4.81 -1.81 -3.25 114.58 119.99 2k3a h GLU 145 Ca 0.12 -0.47 -0.01 0.00 -0.13 0.00 0.00 59.36 58.87 2k3a h GLU 145 Cb 0.12 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.52 2k3a h GLU 145 CO -0.16 1.11 0.05 0.00 -0.73 0.00 0.00 179.01 179.28 2k3a h ALA 146 N 0.82 0.16 0.00 2.92 0.00 -0.33 -2.53 119.26 120.29 2k3a h ALA 146 Ca 0.04 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2k3a h ALA 146 Cb 1.02 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.77 2k3a h ALA 146 CO 0.10 -0.25 0.00 0.43 0.00 0.00 0.00 179.25 179.53 2k3a n SER 147 N -4.90 0.54 0.00 0.00 7.64 -0.17 -1.45 113.62 115.29 2k3a n SER 147 Ca -0.05 0.73 0.10 0.00 1.01 0.00 0.00 58.87 60.66 2k3a n SER 147 Cb 0.12 -0.81 0.46 0.00 -1.01 0.00 0.00 64.21 62.97 2k3a n SER 147 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2k3a n SER 148 N -2.21 0.00 -4.82 6.43 2.88 -0.95 -4.81 113.62 110.13 2k3a n SER 148 Ca -0.01 0.32 -0.24 0.00 -1.33 0.00 0.00 58.87 57.61 2k3a n SER 148 Cb 0.06 -0.42 -0.05 0.00 -0.75 0.00 0.00 64.21 63.05 2k3a n SER 148 CO 0.00 0.00 0.00 -0.31 -1.23 0.00 0.00 175.04 173.50 2k3a s TYR 149 N -2.85 3.17 -0.34 0.66 2.02 -0.53 -5.02 117.35 114.46 2k3a s TYR 149 Ca 0.13 -0.04 -0.23 0.00 -0.37 0.00 0.00 57.07 56.56 2k3a s TYR 149 Cb 0.13 -1.48 0.01 0.00 -0.40 0.00 0.00 41.96 40.21 2k3a s TYR 149 CO 0.35 0.52 0.79 -0.80 -1.57 0.00 0.00 175.55 174.83 2k3a s ASN 150 N -3.41 6.60 -0.25 2.29 0.01 -1.10 -4.51 114.94 114.59 2k3a s ASN 150 Ca 0.32 0.50 -0.17 0.00 -0.71 0.00 0.00 52.86 52.80 2k3a s ASN 150 Cb -0.09 -2.40 -0.03 0.00 0.41 0.00 0.00 41.25 39.13 2k3a s ASN 150 CO 0.24 -0.68 0.47 -0.31 -1.51 0.00 0.00 177.10 175.31 2k3a s TYR 151 N 3.04 3.29 -0.42 2.20 1.51 -0.14 -0.09 117.35 126.74 2k3a s TYR 151 Ca 0.32 0.60 -0.22 0.00 -1.01 0.00 0.00 57.07 56.76 2k3a s TYR 151 Cb -0.14 -2.65 0.02 0.00 -0.11 0.00 0.00 41.96 39.08 2k3a s TYR 151 CO 0.15 -0.21 0.71 0.42 -1.11 0.00 0.00 175.55 175.52 2k3a s ILE 152 N 2.02 4.75 -0.12 2.71 1.09 0.75 -0.95 121.20 131.46 2k3a s ILE 152 Ca 0.20 0.38 -0.10 0.00 -1.10 0.00 0.00 60.65 60.03 2k3a s ILE 152 Cb -0.15 -4.24 -0.05 0.00 -1.06 0.00 0.00 42.46 36.96 2k3a s ILE 152 CO 0.09 -0.59 0.20 -1.00 -0.10 0.00 0.00 174.94 173.54 2k3a s HIS 153 N 3.03 3.56 -0.78 3.97 3.76 0.81 -1.96 115.29 127.68 2k3a s HIS 153 Ca 0.27 0.57 -0.17 0.00 -0.15 0.00 0.00 55.06 55.57 2k3a s HIS 153 Cb -0.13 -2.09 0.15 0.00 1.11 0.00 0.00 32.58 31.63 2k3a s HIS 153 CO 0.20 0.57 0.86 -0.51 -0.85 0.00 0.00 174.74 175.01 2k3a s LEU 154 N -0.57 5.79 0.00 0.89 1.43 -1.26 -3.73 118.68 121.24 2k3a s LEU 154 Ca 0.15 -2.09 0.19 0.00 -1.03 0.00 0.00 54.13 51.35 2k3a s LEU 154 Cb -0.13 -2.30 0.15 0.00 0.03 0.00 0.00 46.19 43.95 2k3a s LEU 154 CO 0.04 -0.90 1.11 0.59 0.23 0.00 0.00 176.35 177.42