#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ik4 n LEU 1 N 0.00 0.19 -0.13 2.46 4.77 -1.26 -4.96 117.00 118.08 3ik4 n LEU 1 Ca 0.00 0.06 0.13 0.00 -0.03 0.00 0.00 56.01 56.18 3ik4 n LEU 1 Cb 0.00 -1.31 0.45 0.00 -2.33 0.00 0.00 43.42 40.23 3ik4 n LEU 1 CO 0.00 -2.91 0.71 -0.81 -1.33 0.00 0.00 177.39 173.05 3ik4 n PRO 2 N -4.36 0.54 -0.46 3.23 -0.04 -1.26 -2.60 135.00 130.04 3ik4 n PRO 2 Ca 0.06 -0.26 0.08 0.00 -0.04 0.00 0.00 63.50 63.34 3ik4 n PRO 2 Cb 0.54 -1.49 0.27 0.00 -0.04 0.00 0.00 33.50 32.77 3ik4 n PRO 2 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 3ik4 n THR 3 N -1.01 2.03 -2.41 0.52 -2.24 -1.26 -3.87 114.28 106.04 3ik4 n THR 3 Ca 0.11 -1.57 -0.42 0.00 -2.27 0.00 0.00 64.05 59.90 3ik4 n THR 3 Cb 0.32 -0.06 -0.03 0.00 -2.10 0.00 0.00 70.33 68.46 3ik4 n THR 3 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3ik4 s THR 4 N -2.34 3.95 -0.11 4.28 2.01 -1.07 -0.66 115.64 121.71 3ik4 s THR 4 Ca 0.41 1.44 -0.29 0.00 0.31 0.00 0.00 61.69 63.55 3ik4 s THR 4 Cb 0.30 -3.92 -0.04 0.00 0.01 0.00 0.00 72.50 68.86 3ik4 s THR 4 CO 0.13 0.13 1.51 -0.63 -0.69 0.00 0.00 174.62 175.07 3ik4 s ILE 5 N 0.87 3.85 0.00 1.82 1.01 0.01 -2.80 121.20 125.97 3ik4 s ILE 5 Ca 0.58 1.02 0.00 0.00 0.00 0.00 0.00 60.65 62.25 3ik4 s ILE 5 Cb -0.30 -3.68 0.00 0.00 0.01 0.00 0.00 42.46 38.49 3ik4 s ILE 5 CO 0.30 -0.11 0.00 0.00 0.00 0.00 0.00 174.94 175.13 3ik4 n GLN 6 N 6.98 0.00 -3.85 2.79 1.13 -0.69 -1.87 117.38 121.86 3ik4 n GLN 6 Ca 0.16 0.00 -0.30 0.00 -1.94 0.00 0.00 57.00 54.92 3ik4 n GLN 6 Cb 0.44 0.00 -0.04 0.00 0.11 0.00 0.00 30.24 30.75 3ik4 n GLN 6 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3ik4 s ALA 7 N -3.97 3.94 -0.17 -1.58 0.00 -1.26 -4.34 121.76 114.38 3ik4 s ALA 7 Ca 0.00 -0.83 -0.02 0.00 0.00 0.00 0.00 51.96 51.11 3ik4 s ALA 7 Cb 0.00 -1.89 -0.01 0.00 0.00 0.00 0.00 23.12 21.22 3ik4 s ALA 7 CO 0.00 0.69 -0.10 0.42 0.00 0.00 0.00 175.76 176.77 3ik4 s ILE 8 N -1.63 3.06 -0.35 0.00 1.01 -1.26 -3.69 121.20 118.33 3ik4 s ILE 8 Ca 0.36 -0.63 -0.13 0.00 0.00 0.00 0.00 60.65 60.25 3ik4 s ILE 8 Cb -0.12 -2.33 -0.01 0.00 0.01 0.00 0.00 42.46 40.01 3ik4 s ILE 8 CO 0.28 0.49 0.25 -0.94 0.00 0.00 0.00 174.94 175.01 3ik4 s SER 9 N 0.93 6.05 -0.22 3.58 1.04 -0.66 -4.97 113.70 119.44 3ik4 s SER 9 Ca -0.02 -0.54 -0.07 0.00 0.48 0.00 0.00 55.95 55.80 3ik4 s SER 9 Cb -0.15 -2.14 -0.03 0.00 0.10 0.00 0.00 66.02 63.80 3ik4 s SER 9 CO -0.00 -0.28 0.05 0.00 0.98 0.00 0.00 173.24 173.99 3ik4 s ALA 10 N 1.71 3.21 0.23 5.32 0.00 -1.26 -2.09 121.76 128.87 3ik4 s ALA 10 Ca 0.06 -0.98 0.09 0.00 0.00 0.00 0.00 51.96 51.13 3ik4 s ALA 10 Cb -0.18 -1.96 -0.05 0.00 0.00 0.00 0.00 23.12 20.93 3ik4 s ALA 10 CO 0.10 -0.20 -0.16 -1.83 0.00 0.00 0.00 175.76 173.67 3ik4 s GLU 11 N 1.08 1.45 0.04 0.00 -1.05 -0.77 -5.00 118.70 114.45 3ik4 s GLU 11 Ca 0.04 -1.65 -0.21 0.00 -0.15 0.00 0.00 54.97 53.00 3ik4 s GLU 11 Cb -0.14 -1.34 -0.06 0.00 -0.44 0.00 0.00 34.13 32.15 3ik4 s GLU 11 CO 0.03 0.23 0.61 0.00 0.95 0.00 0.00 175.26 177.09 3ik4 s ALA 12 N -2.81 3.51 -0.23 -0.84 0.00 -1.26 -0.63 121.76 119.51 3ik4 s ALA 12 Ca 0.25 0.08 -0.01 0.00 0.00 0.00 0.00 51.96 52.27 3ik4 s ALA 12 Cb -0.02 -2.74 0.07 0.00 0.00 0.00 0.00 23.12 20.42 3ik4 s ALA 12 CO 0.10 0.25 0.02 0.96 0.00 0.00 0.00 175.76 177.08 3ik4 s ILE 13 N -0.58 0.91 -0.27 0.00 -4.36 0.80 -4.85 121.20 112.85 3ik4 s ILE 13 Ca 0.31 -0.92 -0.09 0.00 -0.26 0.00 0.00 60.65 59.70 3ik4 s ILE 13 Cb -0.19 -1.39 -0.03 0.00 1.25 0.00 0.00 42.46 42.10 3ik4 s ILE 13 CO 0.19 -0.26 0.12 0.20 0.24 0.00 0.00 174.94 175.43 3ik4 s ASN 14 N 1.67 5.46 -0.10 4.36 0.01 -1.26 -1.35 114.94 123.72 3ik4 s ASN 14 Ca -0.01 -0.21 0.04 0.00 -0.71 0.00 0.00 52.86 51.97 3ik4 s ASN 14 Cb -0.18 -1.99 -0.00 0.00 0.41 0.00 0.00 41.25 39.49 3ik4 s ASN 14 CO -0.10 -0.07 -0.23 -0.76 -1.51 0.00 0.00 177.10 174.43 3ik4 s LEU 15 N 1.66 2.15 0.56 0.60 1.43 -1.12 -4.92 118.68 119.03 3ik4 s LEU 15 Ca 0.06 -0.53 -0.16 0.00 -1.03 0.00 0.00 54.13 52.46 3ik4 s LEU 15 Cb -0.16 -1.43 -0.05 0.00 0.03 0.00 0.00 46.19 44.58 3ik4 s LEU 15 CO 0.06 0.17 1.03 -2.16 0.23 0.00 0.00 176.35 175.68 3ik4 s PRO 16 N 0.31 3.57 0.00 1.29 0.04 -1.26 -2.14 135.00 136.81 3ik4 s PRO 16 Ca -0.17 1.14 0.00 0.00 0.04 0.00 0.00 61.00 62.01 3ik4 s PRO 16 Cb -0.18 -2.07 0.00 0.00 0.04 0.00 0.00 34.50 32.29 3ik4 s PRO 16 CO 0.08 -0.60 0.00 1.28 0.04 0.00 0.00 177.00 177.80 3ik4 n LEU 17 N -1.78 0.00 -0.00 -3.56 4.77 -0.92 -1.07 117.00 114.45 3ik4 n LEU 17 Ca 0.08 0.00 -0.00 0.00 -0.03 0.00 0.00 56.01 56.06 3ik4 n LEU 17 Cb 0.53 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.62 3ik4 n LEU 17 CO 0.46 0.00 -0.52 0.35 -1.33 0.00 0.00 177.39 176.36 3ik4 n THR 18 N 0.00 0.03 -2.87 -5.08 -2.24 -1.24 -3.94 114.28 98.94 3ik4 n THR 18 Ca 0.00 -0.01 -0.12 0.00 -2.27 0.00 0.00 64.05 61.65 3ik4 n THR 18 Cb 0.00 -0.56 0.05 0.00 -2.10 0.00 0.00 70.33 67.72 3ik4 n THR 18 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 3ik4 n GLU 19 N -2.53 1.02 0.00 -0.78 0.28 -1.26 -5.15 120.64 112.22 3ik4 n GLU 19 Ca -0.01 -2.43 0.00 0.00 -0.16 0.00 0.00 57.16 54.56 3ik4 n GLU 19 Cb 0.51 -1.17 0.00 0.00 1.43 0.00 0.00 31.44 32.21 3ik4 n GLU 19 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3ik4 n ALA 29 N 0.24 0.00 -3.89 -1.84 0.00 -1.26 -5.18 120.51 108.58 3ik4 n ALA 29 Ca 0.11 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.24 3ik4 n ALA 29 Cb 0.70 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.99 3ik4 n ALA 29 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3ik4 s VAL 30 N 0.00 1.88 -0.49 0.00 1.01 -1.26 -2.15 120.40 119.39 3ik4 s VAL 30 Ca 0.00 -0.85 -0.18 0.00 0.00 0.00 0.00 61.98 60.95 3ik4 s VAL 30 Cb 0.00 -1.70 0.06 0.00 0.00 0.00 0.00 36.38 34.73 3ik4 s VAL 30 CO 0.00 0.51 0.56 0.00 0.00 0.00 0.00 175.10 176.17 3ik4 s ALA 31 N 1.14 3.43 -1.24 5.51 0.00 -0.91 -4.93 121.76 124.76 3ik4 s ALA 31 Ca -0.00 -1.78 -0.19 0.00 0.00 0.00 0.00 51.96 49.99 3ik4 s ALA 31 Cb -0.14 -3.26 0.06 0.00 0.00 0.00 0.00 23.12 19.78 3ik4 s ALA 31 CO -0.07 -1.90 1.69 0.00 0.00 0.00 0.00 175.76 175.48 3ik4 s ALA 32 N 2.38 3.13 0.33 0.00 0.00 -1.26 -2.81 121.76 123.52 3ik4 s ALA 32 Ca 0.13 -2.75 0.06 0.00 0.00 0.00 0.00 51.96 49.40 3ik4 s ALA 32 Cb -0.20 -4.63 -0.01 0.00 0.00 0.00 0.00 23.12 18.28 3ik4 s ALA 32 CO 0.11 -3.45 0.45 -0.80 0.00 0.00 0.00 175.76 172.08 3ik4 s ASN 33 N 4.50 5.97 -0.14 0.00 0.01 -0.46 -4.43 114.94 120.40 3ik4 s ASN 33 Ca 0.53 -0.18 0.02 0.00 -0.71 0.00 0.00 52.86 52.52 3ik4 s ASN 33 Cb 0.03 -1.28 0.01 0.00 0.41 0.00 0.00 41.25 40.43 3ik4 s ASN 33 CO 0.04 -0.39 -0.18 -0.69 -1.51 0.00 0.00 177.10 174.37 3ik4 s VAL 34 N -2.16 1.80 -0.09 1.60 1.01 -0.40 -0.14 120.40 122.02 3ik4 s VAL 34 Ca 0.44 -0.81 -0.23 0.00 0.00 0.00 0.00 61.98 61.38 3ik4 s VAL 34 Cb -0.09 -1.62 -0.03 0.00 0.00 0.00 0.00 36.38 34.63 3ik4 s VAL 34 CO 0.31 0.50 0.68 -0.22 0.00 0.00 0.00 175.10 176.37 3ik4 s LEU 35 N 1.02 4.29 -0.16 3.92 2.96 0.20 -0.60 118.68 130.31 3ik4 s LEU 35 Ca -0.04 1.13 -0.04 0.00 -0.22 0.00 0.00 54.13 54.96 3ik4 s LEU 35 Cb -0.15 -3.04 -0.03 0.00 0.50 0.00 0.00 46.19 43.48 3ik4 s LEU 35 CO -0.04 -0.14 -0.04 -0.69 -1.32 0.00 0.00 176.35 174.12 3ik4 s VAL 36 N 0.96 3.81 -0.25 1.68 1.01 -0.26 -1.85 120.40 125.50 3ik4 s VAL 36 Ca 0.36 -0.38 -0.00 0.00 0.00 0.00 0.00 61.98 61.95 3ik4 s VAL 36 Cb -0.17 -2.68 0.07 0.00 0.00 0.00 0.00 36.38 33.61 3ik4 s VAL 36 CO 0.16 0.48 0.01 -0.54 0.00 0.00 0.00 175.10 175.22 3ik4 s LYS 37 N 0.50 1.16 0.01 2.72 1.02 -0.89 -0.23 119.74 124.03 3ik4 s LYS 37 Ca -0.03 -0.96 -0.18 0.00 0.02 0.00 0.00 55.97 54.82 3ik4 s LYS 37 Cb -0.14 -2.39 -0.06 0.00 -0.52 0.00 0.00 37.83 34.72 3ik4 s LYS 37 CO 0.03 -0.73 0.50 0.14 -0.92 0.00 0.00 175.35 174.37 3ik4 s VAL 38 N 1.51 4.93 -0.12 3.17 -7.23 -0.24 -1.65 120.40 120.77 3ik4 s VAL 38 Ca 0.01 1.05 0.01 0.00 -1.81 0.00 0.00 61.98 61.24 3ik4 s VAL 38 Cb -0.18 -3.83 0.02 0.00 0.56 0.00 0.00 36.38 32.95 3ik4 s VAL 38 CO -0.11 0.51 -0.15 -1.10 -0.31 0.00 0.00 175.10 173.94 3ik4 s GLN 39 N -0.72 2.27 0.21 4.82 -0.21 -1.24 -2.23 119.66 122.55 3ik4 s GLN 39 Ca 0.27 -0.57 0.01 0.00 0.02 0.00 0.00 55.36 55.09 3ik4 s GLN 39 Cb -0.18 -1.97 -0.04 0.00 1.00 0.00 0.00 33.01 31.82 3ik4 s GLN 39 CO 0.16 -0.12 0.37 -0.51 -2.12 0.00 0.00 175.29 173.07 3ik4 s LEU 40 N 1.14 4.25 -1.32 2.90 1.02 -1.24 -1.71 118.68 123.72 3ik4 s LEU 40 Ca -0.03 0.30 -0.09 0.00 0.02 0.00 0.00 54.13 54.33 3ik4 s LEU 40 Cb -0.14 -3.07 -0.10 0.00 0.02 0.00 0.00 46.19 42.90 3ik4 s LEU 40 CO -0.04 -0.05 2.86 0.00 0.02 0.00 0.00 176.35 179.14 3ik4 n ALA 41 N -0.85 6.89 -1.81 4.21 0.00 -1.12 -2.89 120.51 124.95 3ik4 n ALA 41 Ca -0.06 -3.05 0.00 0.00 0.00 0.00 0.00 53.44 50.33 3ik4 n ALA 41 Cb 0.55 -3.19 0.00 0.00 0.00 0.00 0.00 19.45 16.80 3ik4 n ALA 41 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3ik4 n ASP 42 N 3.57 0.00 0.00 0.00 5.75 -1.25 -4.25 116.55 120.37 3ik4 n ASP 42 Ca 0.68 -0.90 0.00 0.00 -0.01 0.00 0.00 54.79 54.57 3ik4 n ASP 42 Cb 0.28 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.37 3ik4 n ASP 42 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3ik4 n GLY 43 N 0.00 0.98 3.82 6.12 0.00 -1.14 -5.09 105.19 109.89 3ik4 n GLY 43 Ca 0.00 -0.02 -0.38 0.00 0.00 0.00 0.00 46.02 45.62 3ik4 n GLY 43 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ik4 s THR 44 N -2.00 4.88 -0.35 2.61 -4.23 -1.26 -5.02 115.64 110.27 3ik4 s THR 44 Ca 0.00 1.02 -0.02 0.00 -1.18 0.00 0.00 61.69 61.51 3ik4 s THR 44 Cb 0.00 -3.80 0.08 0.00 1.34 0.00 0.00 72.50 70.11 3ik4 s THR 44 CO 0.00 0.56 0.09 -0.22 -0.54 0.00 0.00 174.62 174.51 3ik4 s LEU 45 N -1.11 4.51 -0.30 4.79 2.96 -1.26 -3.66 118.68 124.61 3ik4 s LEU 45 Ca 0.27 -1.61 -0.09 0.00 -0.22 0.00 0.00 54.13 52.47 3ik4 s LEU 45 Cb -0.18 -1.76 -0.01 0.00 0.50 0.00 0.00 46.19 44.73 3ik4 s LEU 45 CO 0.16 -0.38 0.14 -0.83 -1.32 0.00 0.00 176.35 174.12 3ik4 s GLY 46 N 1.47 1.85 -0.10 7.98 0.00 -0.95 -4.55 107.32 113.01 3ik4 s GLY 46 Ca 0.01 -1.33 -0.04 0.00 0.00 0.00 0.00 44.72 43.35 3ik4 s GLY 46 CO -0.02 0.66 0.07 1.08 0.00 0.00 0.00 173.10 174.89 3ik4 s LEU 47 N 1.61 3.98 0.11 0.66 1.43 -1.25 -1.08 118.68 124.15 3ik4 s LEU 47 Ca 0.05 0.31 -0.00 0.00 -1.03 0.00 0.00 54.13 53.45 3ik4 s LEU 47 Cb -0.17 -1.94 -0.04 0.00 0.03 0.00 0.00 46.19 44.07 3ik4 s LEU 47 CO 0.06 0.39 0.01 -0.83 0.23 0.00 0.00 176.35 176.21 3ik4 s GLY 48 N -0.96 0.87 -0.03 -3.19 0.00 0.68 -3.30 107.32 101.39 3ik4 s GLY 48 Ca 0.14 -1.41 0.01 0.00 0.00 0.00 0.00 44.72 43.47 3ik4 s GLY 48 CO 0.03 -1.39 -0.05 1.85 0.00 0.00 0.00 173.10 173.54 3ik4 s GLU 49 N -3.96 0.72 -0.11 2.90 2.12 -1.26 -1.10 118.70 118.01 3ik4 s GLU 49 Ca 0.18 -0.14 -0.02 0.00 0.36 0.00 0.00 54.97 55.34 3ik4 s GLU 49 Cb 0.07 -0.73 -0.03 0.00 0.26 0.00 0.00 34.13 33.70 3ik4 s GLU 49 CO -0.02 -0.01 -0.01 0.00 -0.54 0.00 0.00 175.26 174.68 3ik4 s ALA 50 N 0.56 3.18 -0.40 6.30 0.00 0.23 -3.33 121.76 128.30 3ik4 s ALA 50 Ca -0.07 -0.82 0.06 0.00 0.00 0.00 0.00 51.96 51.13 3ik4 s ALA 50 Cb -0.11 -1.50 0.20 0.00 0.00 0.00 0.00 23.12 21.71 3ik4 s ALA 50 CO 0.00 0.46 0.42 0.00 0.00 0.00 0.00 175.76 176.64 3ik4 n ALA 51 N 2.63 2.61 -1.63 0.00 0.00 -1.26 -1.27 120.51 121.58 3ik4 n ALA 51 Ca -0.18 -3.19 -0.32 0.00 0.00 0.00 0.00 53.44 49.75 3ik4 n ALA 51 Cb 0.53 -0.79 0.03 0.00 0.00 0.00 0.00 19.45 19.22 3ik4 n ALA 51 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3ik4 s PRO 52 N -0.44 3.18 -0.14 0.00 0.04 -1.26 -4.65 135.00 131.72 3ik4 s PRO 52 Ca 0.34 1.08 -0.05 0.00 0.04 0.00 0.00 61.00 62.41 3ik4 s PRO 52 Cb 0.09 -2.02 -0.03 0.00 0.04 0.00 0.00 34.50 32.58 3ik4 s PRO 52 CO -0.16 -0.91 0.02 0.12 0.04 0.00 0.00 177.00 176.10 3ik4 s PHE 53 N -2.73 3.17 0.05 0.56 2.19 -1.25 -4.88 117.98 115.10 3ik4 s PHE 53 Ca 0.61 0.02 -0.04 0.00 0.33 0.00 0.00 56.93 57.85 3ik4 s PHE 53 Cb -0.15 -1.95 -0.03 0.00 -1.31 0.00 0.00 43.02 39.59 3ik4 s PHE 53 CO 0.45 0.22 0.04 -2.30 1.83 0.00 0.00 175.22 175.46 3ik4 n PRO 54 N 3.03 0.00 -1.51 10.12 -0.02 -1.26 -3.87 135.00 141.49 3ik4 n PRO 54 Ca -0.18 0.00 -0.13 0.00 -2.02 0.00 0.00 63.50 61.18 3ik4 n PRO 54 Cb 0.53 -0.16 -0.11 0.00 -0.02 0.00 0.00 33.50 33.74 3ik4 n PRO 54 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ik4 n ALA 55 N -0.11 0.22 -3.24 3.55 0.00 -1.26 -4.52 120.51 115.15 3ik4 n ALA 55 Ca 0.02 -2.11 -0.15 0.00 0.00 0.00 0.00 53.44 51.20 3ik4 n ALA 55 Cb 0.05 -3.06 -0.06 0.00 0.00 0.00 0.00 19.45 16.39 3ik4 n ALA 55 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3ik4 s VAL 56 N 15.67 -0.36 -1.48 0.00 0.11 -1.26 -4.88 120.40 128.20 3ik4 s VAL 56 Ca 0.73 -1.27 -0.12 0.00 -2.93 0.00 0.00 61.98 58.39 3ik4 s VAL 56 Cb -0.04 -0.61 0.06 0.00 -1.53 0.00 0.00 36.38 34.25 3ik4 s VAL 56 CO 0.17 -0.57 1.06 -1.20 -3.33 0.00 0.00 175.10 171.22 3ik4 n SER 57 N 3.71 -5.39 -3.62 3.54 7.64 -1.26 -4.99 113.62 113.24 3ik4 n SER 57 Ca 0.16 -0.69 -0.12 0.00 1.01 0.00 0.00 58.87 59.23 3ik4 n SER 57 Cb 0.49 -4.28 -0.05 0.00 -1.01 0.00 0.00 64.21 59.36 3ik4 n SER 57 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 3ik4 s GLY 58 N -3.30 1.02 0.61 0.23 0.00 -1.26 -5.15 107.32 99.47 3ik4 s GLY 58 Ca 0.64 -1.22 -0.08 0.00 0.00 0.00 0.00 44.72 44.06 3ik4 s GLY 58 CO 0.79 -0.84 0.95 -0.54 0.00 0.00 0.00 173.10 173.47 3ik4 s GLU 59 N -3.50 3.08 0.37 2.90 2.02 -1.25 -4.64 118.70 117.67 3ik4 s GLU 59 Ca 0.27 0.24 0.08 0.00 0.02 0.00 0.00 54.97 55.57 3ik4 s GLU 59 Cb -0.00 -2.20 -0.07 0.00 0.10 0.00 0.00 34.13 31.96 3ik4 s GLU 59 CO 0.14 -0.70 -0.03 0.95 0.02 0.00 0.00 175.26 175.64 3ik4 s THR 60 N -3.07 2.00 0.14 3.63 -4.23 -1.26 -3.85 115.64 109.00 3ik4 s THR 60 Ca 0.54 -2.09 -0.18 0.00 -1.18 0.00 0.00 61.69 58.79 3ik4 s THR 60 Cb -0.11 -2.81 -0.02 0.00 1.34 0.00 0.00 72.50 70.90 3ik4 s THR 60 CO 0.48 -0.10 1.79 -0.61 -0.54 0.00 0.00 174.62 175.65 3ik4 h GLN 61 N 1.93 0.40 -0.19 3.99 4.15 -1.90 0.52 115.11 124.00 3ik4 h GLN 61 Ca -0.43 -0.02 -0.16 0.00 0.77 0.00 0.00 58.65 58.81 3ik4 h GLN 61 Cb 1.24 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 28.84 3ik4 h GLN 61 CO 0.75 0.26 -0.54 1.15 -1.93 0.00 0.00 178.83 178.53 3ik4 h THR 62 N 0.41 1.32 -0.12 2.39 2.02 -1.97 -1.49 112.91 115.46 3ik4 h THR 62 Ca 0.12 -1.78 -0.05 0.00 0.77 0.00 0.00 66.41 65.47 3ik4 h THR 62 Cb -0.03 1.76 -0.01 0.00 -1.74 0.00 0.00 68.15 68.12 3ik4 h THR 62 CO -0.04 0.55 -0.14 1.23 0.37 0.00 0.00 175.52 177.50 3ik4 h GLY 63 N 1.06 0.21 0.55 2.16 0.00 -1.92 -2.76 103.07 102.36 3ik4 h GLY 63 Ca 0.01 -0.13 -0.06 0.00 0.00 0.00 0.00 47.33 47.16 3ik4 h GLY 63 CO 0.10 0.12 -0.19 -0.84 0.00 0.00 0.00 176.54 175.73 3ik4 h THR 64 N 0.19 1.46 -0.30 4.70 2.02 -0.65 -3.16 112.91 117.18 3ik4 h THR 64 Ca 0.04 -1.65 0.07 0.00 0.77 0.00 0.00 66.41 65.63 3ik4 h THR 64 Cb 0.36 2.42 -0.07 0.00 -1.74 0.00 0.00 68.15 69.13 3ik4 h THR 64 CO 0.02 0.46 -0.13 0.28 0.37 0.00 0.00 175.52 176.52 3ik4 h SER 65 N -0.35 -0.45 -0.90 4.18 0.02 -1.16 -1.29 113.55 113.60 3ik4 h SER 65 Ca -0.01 0.11 0.01 0.00 -0.84 0.00 0.00 61.79 61.06 3ik4 h SER 65 Cb 0.84 0.25 -0.04 0.00 0.14 0.00 0.00 62.40 63.59 3ik4 h SER 65 CO 0.04 -0.17 0.60 0.00 -1.14 0.00 0.00 176.83 176.16 3ik4 h ALA 66 N 1.17 1.36 -0.48 3.77 0.00 -1.62 -2.54 119.26 120.91 3ik4 h ALA 66 Ca 0.15 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.89 3ik4 h ALA 66 Cb 0.32 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3ik4 h ALA 66 CO -0.35 0.60 -0.13 0.00 0.00 0.00 0.00 179.25 179.37 3ik4 h ALA 67 N 1.44 0.86 -0.57 0.00 0.00 -1.39 -2.74 119.26 116.85 3ik4 h ALA 67 Ca 0.33 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3ik4 h ALA 67 Cb -0.14 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.44 3ik4 h ALA 67 CO -0.07 0.64 0.37 0.82 0.00 0.00 0.00 179.25 181.02 3ik4 h ILE 68 N 0.81 1.15 0.00 0.00 2.04 -0.83 -1.24 117.51 119.43 3ik4 h ILE 68 Ca 0.13 -0.29 -0.07 0.00 1.00 0.00 0.00 64.86 65.63 3ik4 h ILE 68 Cb 0.66 0.32 -0.01 0.00 -0.74 0.00 0.00 36.82 37.05 3ik4 h ILE 68 CO 0.05 0.15 -0.31 -0.33 0.00 0.00 0.00 178.15 177.70 3ik4 h GLU 69 N 0.78 0.00 -0.20 2.37 4.39 -1.47 0.90 114.58 121.34 3ik4 h GLU 69 Ca 0.21 0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.74 3ik4 h GLU 69 Cb -0.08 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.58 3ik4 h GLU 69 CO -0.04 0.31 -0.54 0.00 -1.16 0.00 0.00 179.01 177.58 3ik4 h ARG 70 N 0.00 0.72 0.00 2.33 3.08 -1.16 -3.28 114.38 116.07 3ik4 h ARG 70 Ca -0.00 -0.50 -0.03 0.00 0.07 0.00 0.00 59.98 59.52 3ik4 h ARG 70 Cb 0.78 0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.91 3ik4 h ARG 70 CO 0.04 1.13 -0.13 -0.07 -1.07 0.00 0.00 179.97 179.87 3ik4 h LEU 71 N 0.43 0.00 -1.69 3.04 3.38 -0.90 -3.26 115.31 116.31 3ik4 h LEU 71 Ca -0.01 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 3ik4 h LEU 71 Cb 1.15 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.90 3ik4 h LEU 71 CO 0.12 0.13 -0.19 -0.61 0.09 0.00 0.00 178.44 177.98 3ik4 h GLN 72 N 0.00 0.00 -0.03 1.13 4.15 -0.89 -2.52 115.11 116.95 3ik4 h GLN 72 Ca -0.00 0.00 -0.10 0.00 0.77 0.00 0.00 58.65 59.32 3ik4 h GLN 72 Cb 1.02 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.69 3ik4 h GLN 72 CO 0.02 0.19 -0.46 1.03 -1.93 0.00 0.00 178.83 177.68 3ik4 h SER 73 N 0.00 0.07 1.73 -0.69 0.87 -1.68 -0.51 113.55 113.35 3ik4 h SER 73 Ca -0.00 -0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.53 3ik4 h SER 73 Cb 0.39 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.33 3ik4 h SER 73 CO 0.02 0.52 -0.02 0.45 -0.53 0.00 0.00 176.83 177.27 3ik4 h HIS 74 N 0.06 0.00 0.00 2.24 3.86 -1.65 -3.30 115.15 116.36 3ik4 h HIS 74 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3ik4 h HIS 74 Cb 0.83 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.30 3ik4 h HIS 74 CO 0.00 0.00 -0.98 1.28 0.86 0.00 0.00 177.93 179.10 3ik4 n LEU 75 N -2.70 0.92 -4.70 2.43 4.77 -0.88 -4.82 117.00 112.03 3ik4 n LEU 75 Ca 0.05 -0.43 -0.42 0.00 -0.03 0.00 0.00 56.01 55.17 3ik4 n LEU 75 Cb 0.48 -0.03 -0.03 0.00 -2.33 0.00 0.00 43.42 41.52 3ik4 n LEU 75 CO 0.32 0.23 1.21 -0.76 -1.33 0.00 0.00 177.39 177.06 3ik4 s LEU 76 N -3.05 4.35 0.00 2.23 1.43 -0.25 -3.55 118.68 119.83 3ik4 s LEU 76 Ca 0.08 2.36 0.00 0.00 -1.03 0.00 0.00 54.13 55.53 3ik4 s LEU 76 Cb 0.16 -3.57 0.00 0.00 0.03 0.00 0.00 46.19 42.81 3ik4 s LEU 76 CO 0.85 -0.79 0.00 0.61 0.23 0.00 0.00 176.35 177.26 3ik4 n GLY 77 N 3.77 2.93 3.83 -3.19 0.00 -0.78 -5.01 105.19 106.74 3ik4 n GLY 77 Ca 0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 3ik4 n GLY 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ik4 s ALA 78 N -2.09 3.01 0.03 4.61 0.00 -1.23 -4.61 121.76 121.48 3ik4 s ALA 78 Ca 0.00 0.28 -0.30 0.00 0.00 0.00 0.00 51.96 51.94 3ik4 s ALA 78 Cb 0.00 -3.15 -0.05 0.00 0.00 0.00 0.00 23.12 19.92 3ik4 s ALA 78 CO 0.00 -0.22 1.19 0.34 0.00 0.00 0.00 175.76 177.07 3ik4 s ASP 79 N -2.76 7.08 0.49 0.00 3.68 -1.26 -0.81 116.67 123.09 3ik4 s ASP 79 Ca 0.61 1.96 0.30 0.00 2.13 0.00 0.00 52.55 57.55 3ik4 s ASP 79 Cb -0.11 -2.57 1.07 0.00 -1.45 0.00 0.00 42.92 39.86 3ik4 s ASP 79 CO 0.27 -0.49 1.87 1.62 0.13 0.00 0.00 175.17 178.57 3ik4 h VAL 80 N 4.64 0.00 0.00 1.11 3.04 -1.23 -2.88 116.25 120.93 3ik4 h VAL 80 Ca -0.40 -0.62 0.00 0.00 -1.01 0.00 0.00 66.70 64.67 3ik4 h VAL 80 Cb 1.20 1.60 0.00 0.00 -2.01 0.00 0.00 31.29 32.08 3ik4 h VAL 80 CO 0.82 0.00 0.00 0.54 -1.01 0.00 0.00 177.57 177.92 3ik4 n ARG 81 N -3.01 0.05 -1.25 4.17 1.74 -1.26 -2.13 116.66 114.97 3ik4 n ARG 81 Ca 0.02 0.39 -0.31 0.00 -0.77 0.00 0.00 57.85 57.18 3ik4 n ARG 81 Cb 0.36 -1.61 0.08 0.00 -1.02 0.00 0.00 32.46 30.26 3ik4 n ARG 81 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3ik4 n GLY 82 N -0.57 5.52 0.36 -0.13 0.00 -1.09 -4.81 105.19 104.47 3ik4 n GLY 82 Ca 0.02 -2.06 0.12 0.00 0.00 0.00 0.00 46.02 44.10 3ik4 n GLY 82 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 173.32 173.43 3ik4 h TRP 83 N 1.88 0.46 -0.37 1.61 5.08 -1.68 -0.04 115.95 122.89 3ik4 h TRP 83 Ca 0.55 0.01 -0.15 0.00 1.08 0.00 0.00 58.89 60.38 3ik4 h TRP 83 Cb 0.88 -0.15 -0.01 0.00 -3.00 0.00 0.00 29.16 26.89 3ik4 h TRP 83 CO 1.33 0.21 -0.37 0.00 -1.28 0.00 0.00 178.44 178.33 3ik4 h ARG 84 N 0.43 0.90 -0.40 0.12 3.08 -1.89 -2.25 114.38 114.37 3ik4 h ARG 84 Ca 0.29 -0.48 -0.12 0.00 0.07 0.00 0.00 59.98 59.75 3ik4 h ARG 84 Cb 0.57 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.62 3ik4 h ARG 84 CO -0.08 1.13 -0.22 -0.22 -1.07 0.00 0.00 179.97 179.50 3ik4 h LYS 85 N 0.71 0.79 -0.32 0.04 3.64 -1.62 -2.13 116.57 117.67 3ik4 h LYS 85 Ca 0.06 -0.32 -0.05 0.00 -1.27 0.00 0.00 60.65 59.07 3ik4 h LYS 85 Cb 0.97 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.74 3ik4 h LYS 85 CO 0.09 0.94 0.02 -0.07 -2.27 0.00 0.00 179.45 178.16 3ik4 h LEU 86 N 0.69 0.54 -1.39 5.20 3.38 -1.07 -1.82 115.31 120.85 3ik4 h LEU 86 Ca 0.10 -0.29 -0.06 0.00 0.09 0.00 0.00 57.88 57.71 3ik4 h LEU 86 Cb 0.74 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 3ik4 h LEU 86 CO 0.06 0.70 -0.24 0.00 0.09 0.00 0.00 178.44 179.05 3ik4 h ALA 87 N 0.86 1.49 -0.24 1.53 0.00 -1.38 -0.69 119.26 120.83 3ik4 h ALA 87 Ca 0.09 -0.25 -0.16 0.00 0.00 0.00 0.00 54.91 54.60 3ik4 h ALA 87 Cb 0.41 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3ik4 h ALA 87 CO 0.01 0.37 -0.49 0.00 0.00 0.00 0.00 179.25 179.14 3ik4 h ALA 88 N 1.67 0.69 -0.32 0.00 0.00 -1.20 -2.28 119.26 117.82 3ik4 h ALA 88 Ca 0.02 -0.49 -0.14 0.00 0.00 0.00 0.00 54.91 54.30 3ik4 h ALA 88 Cb 0.48 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 3ik4 h ALA 88 CO 0.03 0.68 -0.37 0.52 0.00 0.00 0.00 179.25 180.11 3ik4 h MET 89 N 0.52 0.76 -0.71 0.00 2.07 -0.94 -2.52 114.93 114.11 3ik4 h MET 89 Ca 0.02 -0.38 -0.01 0.00 -2.07 0.00 0.00 59.70 57.27 3ik4 h MET 89 Cb 1.04 0.00 -0.03 0.00 -1.87 0.00 0.00 31.60 30.74 3ik4 h MET 89 CO 0.10 1.00 0.42 -0.07 1.07 0.00 0.00 176.91 179.43 3ik4 h LEU 90 N 0.63 0.86 -0.53 1.22 3.38 -1.08 -1.75 115.31 118.04 3ik4 h LEU 90 Ca 0.06 -0.07 -0.07 0.00 0.09 0.00 0.00 57.88 57.88 3ik4 h LEU 90 Cb 0.92 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.43 3ik4 h LEU 90 CO 0.08 0.67 0.05 -0.78 0.09 0.00 0.00 178.44 178.55 3ik4 h ASP 91 N 0.97 0.88 -0.70 -0.43 -0.00 -1.33 -0.97 116.42 114.83 3ik4 h ASP 91 Ca 0.25 -0.28 -0.07 0.00 -0.00 0.00 0.00 57.03 56.93 3ik4 h ASP 91 Cb -0.02 -0.24 -0.03 0.00 -0.00 0.00 0.00 39.33 39.05 3ik4 h ASP 91 CO -0.05 0.95 0.16 -0.74 -0.00 0.00 0.00 179.24 179.56 3ik4 h HIS 92 N 0.79 1.19 -0.10 0.28 2.76 -1.36 -2.65 115.15 116.05 3ik4 h HIS 92 Ca 0.16 -0.15 -0.10 0.00 -2.20 0.00 0.00 60.37 58.08 3ik4 h HIS 92 Cb 0.47 -0.33 0.00 0.00 1.55 0.00 0.00 27.41 29.09 3ik4 h HIS 92 CO 0.03 0.97 -0.34 0.00 -1.30 0.00 0.00 177.93 177.30 3ik4 h ALA 93 N 1.09 0.18 -1.19 5.26 0.00 -1.13 -3.42 119.26 120.06 3ik4 h ALA 93 Ca 0.22 -0.44 -0.41 0.00 0.00 0.00 0.00 54.91 54.28 3ik4 h ALA 93 Cb 0.39 -0.02 -0.29 0.00 0.00 0.00 0.00 17.79 17.87 3ik4 h ALA 93 CO 0.00 0.24 -0.87 -1.91 0.00 0.00 0.00 179.25 176.71 3ik4 n GLU 94 N -4.39 0.82 -0.31 0.00 4.07 -0.38 -5.00 120.64 115.45 3ik4 n GLU 94 Ca -0.08 -2.67 0.03 0.00 -0.06 0.00 0.00 57.16 54.38 3ik4 n GLU 94 Cb 0.50 -1.35 0.22 0.00 -0.06 0.00 0.00 31.44 30.75 3ik4 n GLU 94 CO 0.00 0.00 0.00 1.25 -0.06 0.00 0.00 177.13 178.32 3ik4 h HIS 95 N 3.68 1.08 0.00 4.31 -0.00 -1.65 -2.19 115.15 120.39 3ik4 h HIS 95 Ca -0.01 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.39 3ik4 h HIS 95 Cb 0.97 -0.36 0.00 0.00 -0.00 0.00 0.00 27.41 28.02 3ik4 h HIS 95 CO 0.28 0.58 0.00 0.39 -0.00 0.00 0.00 177.93 179.19 3ik4 n GLU 96 N -4.48 0.02 -2.89 5.26 4.71 -1.26 -3.67 120.64 118.33 3ik4 n GLU 96 Ca 0.13 0.27 -0.41 0.00 -0.01 0.00 0.00 57.16 57.14 3ik4 n GLU 96 Cb 0.17 -1.50 0.01 0.00 -1.01 0.00 0.00 31.44 29.11 3ik4 n GLU 96 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3ik4 n ALA 97 N -1.47 5.45 -0.05 0.62 0.00 -0.82 -4.81 120.51 119.42 3ik4 n ALA 97 Ca 0.03 -4.74 -0.04 0.00 0.00 0.00 0.00 53.44 48.69 3ik4 n ALA 97 Cb 0.14 -2.19 0.17 0.00 0.00 0.00 0.00 19.45 17.57 3ik4 n ALA 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ik4 h ALA 98 N 4.88 1.07 -0.25 0.00 0.00 -1.81 -2.43 119.26 120.73 3ik4 h ALA 98 Ca 0.32 -0.31 -0.17 0.00 0.00 0.00 0.00 54.91 54.74 3ik4 h ALA 98 Cb 0.51 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3ik4 h ALA 98 CO 1.25 0.57 -0.51 0.00 0.00 0.00 0.00 179.25 180.56 3ik4 h ALA 99 N 1.25 0.39 0.52 0.00 0.00 -1.85 -2.73 119.26 116.84 3ik4 h ALA 99 Ca 0.10 -0.50 -0.03 0.00 0.00 0.00 0.00 54.91 54.48 3ik4 h ALA 99 Cb 0.59 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.32 3ik4 h ALA 99 CO 0.04 0.58 -0.25 0.00 0.00 0.00 0.00 179.25 179.63 3ik4 h ALA 100 N 0.64 -0.69 -0.03 0.00 0.00 -1.87 -3.08 119.26 114.23 3ik4 h ALA 100 Ca 0.01 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 3ik4 h ALA 100 Cb 1.12 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 19.18 3ik4 h ALA 100 CO 0.11 -0.85 -0.12 0.00 0.00 0.00 0.00 179.25 178.39 3ik4 h ARG 101 N -0.77 0.04 0.04 0.00 3.08 -1.53 -2.46 114.38 112.78 3ik4 h ARG 101 Ca -0.07 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 59.97 3ik4 h ARG 101 Cb 0.57 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.61 3ik4 h ARG 101 CO 0.12 0.16 -0.02 0.00 -1.07 0.00 0.00 179.97 179.16 3ik4 h GLY 103 N -0.15 1.03 1.16 0.00 0.00 -1.40 0.29 103.07 104.01 3ik4 h GLY 103 Ca -0.01 -0.44 -0.13 0.00 0.00 0.00 0.00 47.33 46.76 3ik4 h GLY 103 CO 0.01 0.43 -0.19 1.41 0.00 0.00 0.00 176.54 178.19 3ik4 h LEU 104 N 0.98 0.98 -0.39 3.11 3.38 -1.31 -1.89 115.31 120.16 3ik4 h LEU 104 Ca 0.25 -0.36 -0.12 0.00 0.09 0.00 0.00 57.88 57.74 3ik4 h LEU 104 Cb -0.00 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.47 3ik4 h LEU 104 CO -0.04 1.14 -0.24 -0.33 0.09 0.00 0.00 178.44 179.06 3ik4 h GLU 105 N 0.84 0.85 -0.48 1.13 5.08 -0.19 -2.28 114.58 119.53 3ik4 h GLU 105 Ca 0.11 -0.39 -0.03 0.00 -1.00 0.00 0.00 59.36 58.05 3ik4 h GLU 105 Cb 0.76 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.97 3ik4 h GLU 105 CO 0.06 1.03 0.16 0.52 -1.00 0.00 0.00 179.01 179.78 3ik4 h MET 106 N 0.66 0.69 0.39 2.33 2.86 -0.43 -2.43 114.93 119.00 3ik4 h MET 106 Ca 0.08 -0.11 -0.02 0.00 -2.06 0.00 0.00 59.70 57.59 3ik4 h MET 106 Cb 0.80 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 32.35 3ik4 h MET 106 CO 0.07 0.60 -0.19 0.00 1.06 0.00 0.00 176.91 178.45 3ik4 h ALA 107 N 1.49 -0.52 -0.12 6.32 0.00 -1.20 -2.49 119.26 122.74 3ik4 h ALA 107 Ca 0.16 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 3ik4 h ALA 107 Cb 0.19 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 3ik4 h ALA 107 CO -0.01 -0.61 -0.01 0.52 0.00 0.00 0.00 179.25 179.13 3ik4 h MET 108 N -0.87 0.17 0.04 0.00 2.07 -1.38 -0.23 114.93 114.73 3ik4 h MET 108 Ca -0.05 -0.02 -0.28 0.00 -2.07 0.00 0.00 59.70 57.28 3ik4 h MET 108 Cb 0.54 -0.03 0.02 0.00 -1.87 0.00 0.00 31.60 30.26 3ik4 h MET 108 CO 0.09 0.21 -1.11 -0.07 1.07 0.00 0.00 176.91 177.09 3ik4 h LEU 109 N 0.17 0.88 -1.00 1.22 3.38 -1.49 -1.71 115.31 116.75 3ik4 h LEU 109 Ca 0.04 -0.74 -0.10 0.00 0.09 0.00 0.00 57.88 57.17 3ik4 h LEU 109 Cb 0.15 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 3ik4 h LEU 109 CO 0.00 1.54 -0.42 -0.78 0.09 0.00 0.00 178.44 178.88 3ik4 h ASP 110 N 0.34 0.18 -0.17 -0.43 3.58 -1.17 -1.73 116.42 117.03 3ik4 h ASP 110 Ca -0.15 -0.07 -0.01 0.00 0.42 0.00 0.00 57.03 57.22 3ik4 h ASP 110 Cb 1.77 -0.05 -0.01 0.00 1.72 0.00 0.00 39.33 42.76 3ik4 h ASP 110 CO 0.21 0.58 0.07 0.00 -2.88 0.00 0.00 179.24 177.22 3ik4 h ALA 111 N 1.43 0.21 0.10 -0.78 0.00 -1.03 -2.67 119.26 116.53 3ik4 h ALA 111 Ca 0.01 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 3ik4 h ALA 111 Cb 0.80 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.52 3ik4 h ALA 111 CO 0.06 -0.20 -0.05 1.25 0.00 0.00 0.00 179.25 180.32 3ik4 h LEU 112 N 0.12 -0.11 -0.75 0.00 5.85 -1.11 -2.54 115.31 116.78 3ik4 h LEU 112 Ca 0.06 -0.07 -0.09 0.00 0.84 0.00 0.00 57.88 58.61 3ik4 h LEU 112 Cb 0.16 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 3ik4 h LEU 112 CO -0.00 0.00 -0.45 0.71 -0.34 0.00 0.00 178.44 178.36 3ik4 h THR 113 N -0.21 0.98 -0.01 1.05 1.35 -1.40 -2.76 112.91 111.90 3ik4 h THR 113 Ca -0.01 -1.77 -0.21 0.00 -0.55 0.00 0.00 66.41 63.87 3ik4 h THR 113 Cb 0.17 2.06 -0.00 0.00 -1.73 0.00 0.00 68.15 68.65 3ik4 h THR 113 CO 0.02 0.44 -0.88 0.03 -0.25 0.00 0.00 175.52 174.88 3ik4 h ARG 114 N 0.00 0.33 0.08 4.72 3.08 -1.45 0.32 114.38 121.47 3ik4 h ARG 114 Ca -0.00 -0.34 0.02 0.00 0.07 0.00 0.00 59.98 59.72 3ik4 h ARG 114 Cb 1.03 0.09 -0.03 0.00 0.08 0.00 0.00 29.97 31.14 3ik4 h ARG 114 CO 0.06 1.03 -0.22 1.25 -1.07 0.00 0.00 179.97 181.01 3ik4 h HIS 115 N 0.20 -0.59 -0.05 3.04 2.76 -1.32 -2.91 115.15 116.28 3ik4 h HIS 115 Ca -0.06 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.13 3ik4 h HIS 115 Cb 1.50 0.25 0.00 0.00 1.55 0.00 0.00 27.41 30.71 3ik4 h HIS 115 CO 0.05 -0.31 0.00 0.66 -1.30 0.00 0.00 177.93 177.02 3ik4 n TYR 116 N -5.35 0.07 -1.84 5.26 4.01 -1.05 -4.89 117.16 113.37 3ik4 n TYR 116 Ca -0.06 -0.03 -0.16 0.00 -0.16 0.00 0.00 57.90 57.48 3ik4 n TYR 116 Cb 0.26 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.25 3ik4 n TYR 116 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 3ik4 n HIS 117 N -0.45 -0.34 -4.06 -0.72 8.25 -0.88 -5.00 115.22 112.02 3ik4 n HIS 117 Ca 0.11 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.22 3ik4 n HIS 117 Cb 0.11 -3.05 -0.10 0.00 1.12 0.00 0.00 29.99 28.07 3ik4 n HIS 117 CO 0.00 0.00 0.00 1.41 0.64 0.00 0.00 176.34 178.39 3ik4 s MET 118 N -4.01 3.87 0.49 -0.41 0.00 0.11 -4.52 119.30 114.82 3ik4 s MET 118 Ca 0.00 -0.36 -0.23 0.00 0.00 0.00 0.00 55.69 55.11 3ik4 s MET 118 Cb 0.00 -3.16 -0.07 0.00 0.00 0.00 0.00 34.83 31.61 3ik4 s MET 118 CO 0.00 0.32 1.26 -2.14 0.00 0.00 0.00 175.02 174.46 3ik4 s PRO 119 N 0.23 3.54 0.34 4.11 0.02 -1.26 -1.08 135.00 140.91 3ik4 s PRO 119 Ca 0.03 2.01 0.05 0.00 0.02 0.00 0.00 61.00 63.10 3ik4 s PRO 119 Cb -0.12 -2.39 0.63 0.00 0.02 0.00 0.00 34.50 32.63 3ik4 s PRO 119 CO 0.01 -0.79 1.89 -0.07 -0.33 0.00 0.00 177.00 177.70 3ik4 h LEU 120 N 1.90 0.49 -1.40 -5.54 3.38 -1.72 -0.95 115.31 111.47 3ik4 h LEU 120 Ca -0.50 -0.08 -0.06 0.00 0.09 0.00 0.00 57.88 57.32 3ik4 h LEU 120 Cb 1.27 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.88 3ik4 h LEU 120 CO 0.59 0.54 -0.30 1.12 0.09 0.00 0.00 178.44 180.49 3ik4 h HIS 121 N 0.50 0.00 -0.03 1.13 2.07 -1.82 0.13 115.15 117.13 3ik4 h HIS 121 Ca 0.11 0.00 -0.08 0.00 -2.85 0.00 0.00 60.37 57.55 3ik4 h HIS 121 Cb 0.30 0.00 0.01 0.00 2.57 0.00 0.00 27.41 30.28 3ik4 h HIS 121 CO 0.01 0.30 -0.31 0.28 -3.07 0.00 0.00 177.93 175.14 3ik4 h VAL 122 N 0.00 1.48 -0.82 6.12 2.07 -1.75 0.91 116.25 124.27 3ik4 h VAL 122 Ca -0.00 -1.84 0.18 0.00 0.82 0.00 0.00 66.70 65.86 3ik4 h VAL 122 Cb 0.58 2.54 -0.11 0.00 -1.52 0.00 0.00 31.29 32.78 3ik4 h VAL 122 CO 0.04 0.52 0.30 0.15 0.02 0.00 0.00 177.57 178.59 3ik4 h PHE 123 N -0.32 0.49 -0.00 1.57 3.04 -0.77 -1.66 116.94 119.30 3ik4 h PHE 123 Ca -0.03 0.04 0.00 0.00 3.98 0.00 0.00 57.97 61.96 3ik4 h PHE 123 Cb 1.00 -0.09 0.00 0.00 2.56 0.00 0.00 35.95 39.42 3ik4 h PHE 123 CO 0.15 -0.04 -0.05 1.19 -2.02 0.00 0.00 178.31 177.55 3ik4 n PHE 124 N -5.07 0.00 0.00 0.41 0.99 0.40 -4.90 117.46 109.29 3ik4 n PHE 124 Ca 0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.63 3ik4 n PHE 124 Cb 0.54 -0.29 0.00 0.00 -1.00 0.00 0.00 39.48 38.72 3ik4 n PHE 124 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3ik4 n GLY 125 N 1.33 0.97 2.34 1.37 0.00 -0.63 -3.43 105.19 107.15 3ik4 n GLY 125 Ca 0.13 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.03 3ik4 n GLY 125 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ik4 n GLY 126 N 0.00 1.23 0.28 -0.02 0.00 0.30 -4.90 105.19 102.08 3ik4 n GLY 126 Ca 0.00 -0.46 -0.09 0.00 0.00 0.00 0.00 46.02 45.47 3ik4 n GLY 126 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3ik4 h VAL 127 N 0.00 1.27 -3.47 1.61 2.07 -1.41 -3.47 116.25 112.84 3ik4 h VAL 127 Ca -0.25 -1.29 -0.03 0.00 0.82 0.00 0.00 66.70 65.95 3ik4 h VAL 127 Cb 0.81 1.07 -0.09 0.00 -1.52 0.00 0.00 31.29 31.56 3ik4 h VAL 127 CO 0.36 0.45 -0.04 -0.94 0.02 0.00 0.00 177.57 177.42 3ik4 s SER 128 N -6.70 -0.15 -0.14 0.57 1.04 -0.37 -5.00 113.70 102.94 3ik4 s SER 128 Ca -0.10 -0.76 0.18 0.00 0.48 0.00 0.00 55.95 55.74 3ik4 s SER 128 Cb 0.13 0.60 0.44 0.00 0.10 0.00 0.00 66.02 67.29 3ik4 s SER 128 CO 0.85 -1.14 1.18 2.29 0.98 0.00 0.00 173.24 177.41 3ik4 n LYS 129 N -0.37 1.20 -3.74 4.02 2.85 -1.26 -3.78 118.16 117.08 3ik4 n LYS 129 Ca -0.04 -2.91 -0.13 0.00 -1.05 0.00 0.00 58.31 54.18 3ik4 n LYS 129 Cb 0.62 -1.05 -0.14 0.00 -0.65 0.00 0.00 35.03 33.81 3ik4 n LYS 129 CO 0.00 0.00 0.00 -1.14 -0.05 0.00 0.00 177.40 176.21 3ik4 s GLN 130 N -2.06 0.15 0.12 -1.58 0.74 -1.26 -0.25 119.66 115.53 3ik4 s GLN 130 Ca 0.37 0.44 0.03 0.00 0.05 0.00 0.00 55.36 56.24 3ik4 s GLN 130 Cb 0.38 -0.14 -0.04 0.00 1.10 0.00 0.00 33.01 34.30 3ik4 s GLN 130 CO -0.09 -0.16 -0.08 -0.51 -0.55 0.00 0.00 175.29 173.90 3ik4 s LEU 131 N 1.16 2.51 -0.29 3.68 1.43 -0.86 -4.91 118.68 121.40 3ik4 s LEU 131 Ca -0.09 -1.01 0.03 0.00 -1.03 0.00 0.00 54.13 52.03 3ik4 s LEU 131 Cb -0.11 -0.18 0.08 0.00 0.03 0.00 0.00 46.19 46.02 3ik4 s LEU 131 CO -0.07 -0.42 -0.03 -0.70 0.23 0.00 0.00 176.35 175.36 3ik4 s GLU 132 N -3.80 1.78 0.40 1.70 2.56 -1.26 -0.46 118.70 119.62 3ik4 s GLU 132 Ca 0.14 -1.50 -0.04 0.00 0.00 0.00 0.00 54.97 53.57 3ik4 s GLU 132 Cb 0.04 -2.94 -0.04 0.00 2.00 0.00 0.00 34.13 33.20 3ik4 s GLU 132 CO -0.02 -0.74 0.68 -0.08 -0.56 0.00 0.00 175.26 174.53 3ik4 s THR 133 N 1.08 4.97 0.64 -1.70 -1.32 0.10 -4.33 115.64 115.10 3ik4 s THR 133 Ca 0.00 0.03 0.00 0.00 -1.21 0.00 0.00 61.69 60.51 3ik4 s THR 133 Cb -0.19 -3.83 0.08 0.00 -1.51 0.00 0.00 72.50 67.05 3ik4 s THR 133 CO -0.07 -0.64 0.90 1.51 -2.21 0.00 0.00 174.62 174.10 3ik4 s ASP 134 N -3.82 4.79 -0.04 8.08 3.84 -0.35 -4.49 116.67 124.69 3ik4 s ASP 134 Ca 0.45 -0.18 0.05 0.00 -0.00 0.00 0.00 52.55 52.87 3ik4 s ASP 134 Cb -0.10 -0.44 -0.01 0.00 -1.38 0.00 0.00 42.92 41.00 3ik4 s ASP 134 CO 0.38 -1.53 -0.18 -0.32 -0.00 0.00 0.00 175.17 173.53 3ik4 s MET 135 N -4.97 1.73 0.01 2.11 1.75 -0.99 -4.50 119.30 114.43 3ik4 s MET 135 Ca 0.62 -0.63 -0.25 0.00 -1.25 0.00 0.00 55.69 54.18 3ik4 s MET 135 Cb -0.08 -1.54 -0.05 0.00 2.84 0.00 0.00 34.83 36.00 3ik4 s MET 135 CO 0.42 0.29 0.75 0.99 -0.65 0.00 0.00 175.02 176.82 3ik4 s THR 136 N -0.10 4.84 -0.19 10.11 2.01 -1.26 -0.89 115.64 130.17 3ik4 s THR 136 Ca -0.01 1.58 -0.29 0.00 0.31 0.00 0.00 61.69 63.28 3ik4 s THR 136 Cb -0.10 -4.10 -0.00 0.00 0.01 0.00 0.00 72.50 68.31 3ik4 s THR 136 CO 0.01 0.32 1.15 -0.63 -0.69 0.00 0.00 174.62 174.79 3ik4 s ILE 137 N 0.25 4.48 -0.90 1.82 1.01 -0.01 -4.93 121.20 122.91 3ik4 s ILE 137 Ca 0.39 1.79 0.00 0.00 0.00 0.00 0.00 60.65 62.82 3ik4 s ILE 137 Cb -0.20 -4.15 0.28 0.00 0.01 0.00 0.00 42.46 38.40 3ik4 s ILE 137 CO 0.22 -0.14 1.15 1.07 0.00 0.00 0.00 174.94 177.23 3ik4 n THR 138 N 5.28 4.03 -4.57 2.92 5.66 -1.26 -4.54 114.28 121.81 3ik4 n THR 138 Ca 0.13 -5.61 -0.26 0.00 -3.05 0.00 0.00 64.05 55.26 3ik4 n THR 138 Cb 0.46 -2.11 -0.10 0.00 -1.55 0.00 0.00 70.33 67.03 3ik4 n THR 138 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3ik4 s ALA 139 N -2.59 3.01 0.00 1.79 0.00 -1.26 -5.04 121.76 117.68 3ik4 s ALA 139 Ca 0.34 -1.64 0.00 0.00 0.00 0.00 0.00 51.96 50.66 3ik4 s ALA 139 Cb 0.08 0.43 0.00 0.00 0.00 0.00 0.00 23.12 23.63 3ik4 s ALA 139 CO 0.05 -0.21 0.00 0.41 0.00 0.00 0.00 175.76 176.01 3ik4 n GLY 140 N -0.91 0.27 0.89 0.00 0.00 -1.26 -5.00 105.19 99.18 3ik4 n GLY 140 Ca -0.07 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.89 3ik4 n GLY 140 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3ik4 n ASP 141 N 0.00 0.08 0.25 1.61 5.68 -1.26 -4.83 116.55 118.07 3ik4 n ASP 141 Ca 0.00 -1.14 0.16 0.00 -0.50 0.00 0.00 54.79 53.31 3ik4 n ASP 141 Cb 0.00 -0.22 0.69 0.00 -1.14 0.00 0.00 41.12 40.45 3ik4 n ASP 141 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 3ik4 h GLU 142 N 0.00 0.00 -0.05 0.11 9.09 -1.93 -2.57 114.58 119.23 3ik4 h GLU 142 Ca -0.09 0.00 -0.11 0.00 0.05 0.00 0.00 59.36 59.21 3ik4 h GLU 142 Cb 0.28 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 27.38 3ik4 h GLU 142 CO 0.07 0.00 -0.40 0.28 0.05 0.00 0.00 179.01 179.02 3ik4 h VAL 143 N 0.00 1.43 0.00 -1.06 2.07 -1.95 -2.83 116.25 113.91 3ik4 h VAL 143 Ca 0.00 -1.85 -0.13 0.00 0.82 0.00 0.00 66.70 65.55 3ik4 h VAL 143 Cb 0.42 2.43 -0.02 0.00 -1.52 0.00 0.00 31.29 32.60 3ik4 h VAL 143 CO 0.00 0.53 -0.61 0.45 0.02 0.00 0.00 177.57 177.97 3ik4 h HIS 144 N -0.16 0.00 -0.14 1.57 3.86 -1.90 -3.00 115.15 115.40 3ik4 h HIS 144 Ca -0.04 0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.11 3ik4 h HIS 144 Cb 1.07 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.54 3ik4 h HIS 144 CO 0.14 0.61 -0.16 0.00 0.86 0.00 0.00 177.93 179.38 3ik4 h ALA 145 N 1.39 0.20 -0.96 2.45 0.00 -1.54 -0.67 119.26 120.13 3ik4 h ALA 145 Ca -0.01 -0.33 0.07 0.00 0.00 0.00 0.00 54.91 54.64 3ik4 h ALA 145 Cb 1.20 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.88 3ik4 h ALA 145 CO 0.08 0.10 0.62 0.00 0.00 0.00 0.00 179.25 180.04 3ik4 h ALA 146 N 0.59 1.34 -0.40 0.00 0.00 -1.54 0.35 119.26 119.60 3ik4 h ALA 146 Ca 0.02 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 3ik4 h ALA 146 Cb 0.70 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 3ik4 h ALA 146 CO 0.04 0.38 -0.24 0.00 0.00 0.00 0.00 179.25 179.44 3ik4 h ALA 147 N 1.45 0.84 -0.53 0.00 0.00 -1.45 -1.18 119.26 118.39 3ik4 h ALA 147 Ca 0.42 -0.38 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 3ik4 h ALA 147 Cb 0.19 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3ik4 h ALA 147 CO -0.18 0.64 0.12 0.77 0.00 0.00 0.00 179.25 180.60 3ik4 h SER 148 N 0.69 0.82 -0.57 0.00 0.02 -0.54 -2.40 113.55 111.58 3ik4 h SER 148 Ca 0.09 -0.24 -0.06 0.00 -0.84 0.00 0.00 61.79 60.74 3ik4 h SER 148 Cb 0.76 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 63.06 3ik4 h SER 148 CO 0.06 0.85 0.14 0.00 -1.14 0.00 0.00 176.83 176.74 3ik4 h ALA 149 N 1.00 1.11 -0.59 3.77 0.00 -0.80 -1.92 119.26 121.84 3ik4 h ALA 149 Ca 0.17 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 3ik4 h ALA 149 Cb 0.36 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 3ik4 h ALA 149 CO 0.00 0.59 0.24 0.87 0.00 0.00 0.00 179.25 180.96 3ik4 h LYS 150 N 0.91 0.87 -0.41 0.00 1.79 -1.12 -2.79 116.57 115.83 3ik4 h LYS 150 Ca 0.19 -0.15 -0.10 0.00 -2.18 0.00 0.00 60.65 58.41 3ik4 h LYS 150 Cb 0.33 -0.14 -0.01 0.00 -1.58 0.00 0.00 32.23 30.83 3ik4 h LYS 150 CO 0.00 0.74 -0.15 0.00 -1.08 0.00 0.00 179.45 178.96 3ik4 h ALA 151 N 1.09 0.56 -0.53 3.86 0.00 -1.24 -2.16 119.26 120.85 3ik4 h ALA 151 Ca 0.20 -0.35 0.02 0.00 0.00 0.00 0.00 54.91 54.77 3ik4 h ALA 151 Cb 0.19 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 3ik4 h ALA 151 CO -0.02 0.49 0.33 0.82 0.00 0.00 0.00 179.25 180.87 3ik4 h ILE 152 N 0.63 1.09 0.00 0.00 2.04 -1.32 -0.27 117.51 119.68 3ik4 h ILE 152 Ca 0.10 -0.23 -0.10 0.00 1.00 0.00 0.00 64.86 65.63 3ik4 h ILE 152 Cb 0.70 0.36 -0.01 0.00 -0.74 0.00 0.00 36.82 37.13 3ik4 h ILE 152 CO 0.05 0.12 -0.45 -0.07 0.00 0.00 0.00 178.15 177.80 3ik4 h LEU 153 N 0.67 0.00 -0.67 1.44 4.07 -1.48 -2.75 115.31 116.59 3ik4 h LEU 153 Ca 0.20 0.00 -0.14 0.00 0.08 0.00 0.00 57.88 58.02 3ik4 h LEU 153 Cb -0.03 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.70 3ik4 h LEU 153 CO -0.07 0.45 -0.60 0.00 -1.08 0.00 0.00 178.44 177.15 3ik4 h ALA 154 N 1.55 0.87 0.00 1.53 0.00 -0.95 -3.09 119.26 119.16 3ik4 h ALA 154 Ca -0.00 -0.54 -0.00 0.00 0.00 0.00 0.00 54.91 54.36 3ik4 h ALA 154 Cb 0.95 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.65 3ik4 h ALA 154 CO 0.06 0.73 -0.02 -0.09 0.00 0.00 0.00 179.25 179.93 3ik4 h ARG 155 N 0.16 0.00 0.00 0.00 2.43 -0.81 -3.47 114.38 112.69 3ik4 h ARG 155 Ca -0.01 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 3ik4 h ARG 155 Cb 1.10 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.65 3ik4 h ARG 155 CO 0.09 0.02 0.00 0.41 -1.51 0.00 0.00 179.97 178.98 3ik4 n GLY 156 N 0.09 1.49 3.71 2.80 0.00 -1.13 -4.41 105.19 107.73 3ik4 n GLY 156 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 3ik4 n GLY 156 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ik4 s ILE 157 N -2.18 3.05 0.02 -0.61 1.01 -1.06 -4.08 121.20 117.36 3ik4 s ILE 157 Ca 0.00 0.70 -0.11 0.00 0.00 0.00 0.00 60.65 61.24 3ik4 s ILE 157 Cb 0.00 -3.45 -0.32 0.00 0.01 0.00 0.00 42.46 38.70 3ik4 s ILE 157 CO 0.00 0.04 0.95 0.11 0.00 0.00 0.00 174.94 176.04 3ik4 h LYS 158 N 7.15 0.42 -6.57 2.79 6.56 -1.87 -3.37 116.57 121.68 3ik4 h LYS 158 Ca -0.42 -0.72 -0.65 0.00 -1.06 0.00 0.00 60.65 57.80 3ik4 h LYS 158 Cb 1.20 0.27 -0.18 0.00 -0.57 0.00 0.00 32.23 32.95 3ik4 h LYS 158 CO 0.90 1.33 -0.81 -1.54 -2.06 0.00 0.00 179.45 177.27 3ik4 s SER 159 N -7.36 3.54 0.02 0.86 1.04 -1.26 -4.12 113.70 106.42 3ik4 s SER 159 Ca -0.09 -0.85 0.06 0.00 0.48 0.00 0.00 55.95 55.56 3ik4 s SER 159 Cb 0.05 -0.31 -0.02 0.00 0.10 0.00 0.00 66.02 65.84 3ik4 s SER 159 CO 0.91 0.11 -0.19 -0.51 0.98 0.00 0.00 173.24 174.54 3ik4 s ILE 160 N -1.73 1.49 -0.14 -1.02 -1.16 -0.87 -2.34 121.20 115.43 3ik4 s ILE 160 Ca 0.22 -1.02 -0.08 0.00 -0.51 0.00 0.00 60.65 59.26 3ik4 s ILE 160 Cb -0.08 -1.29 -0.04 0.00 0.61 0.00 0.00 42.46 41.66 3ik4 s ILE 160 CO 0.11 0.24 0.13 -0.75 -2.81 0.00 0.00 174.94 171.85 3ik4 s LYS 161 N -0.92 3.65 -0.10 3.50 2.20 -0.07 -1.33 119.74 126.67 3ik4 s LYS 161 Ca 0.06 -0.18 0.00 0.00 -0.36 0.00 0.00 55.97 55.50 3ik4 s LYS 161 Cb -0.08 -3.24 0.02 0.00 -1.51 0.00 0.00 37.83 33.03 3ik4 s LYS 161 CO 0.01 0.62 -0.08 0.54 -0.36 0.00 0.00 175.35 176.09 3ik4 s VAL 162 N -0.59 0.97 -0.26 4.02 0.11 0.23 -0.83 120.40 124.05 3ik4 s VAL 162 Ca 0.13 -0.28 -0.18 0.00 -2.93 0.00 0.00 61.98 58.71 3ik4 s VAL 162 Cb -0.12 -0.98 -0.03 0.00 -1.53 0.00 0.00 36.38 33.73 3ik4 s VAL 162 CO 0.02 0.35 0.52 -0.75 -3.33 0.00 0.00 175.10 171.91 3ik4 s LYS 163 N 1.48 4.07 0.25 1.54 2.47 -1.26 -0.62 119.74 127.68 3ik4 s LYS 163 Ca 0.00 0.33 0.08 0.00 -1.56 0.00 0.00 55.97 54.82 3ik4 s LYS 163 Cb -0.13 -3.65 -0.04 0.00 -1.46 0.00 0.00 37.83 32.55 3ik4 s LYS 163 CO -0.05 -0.35 0.12 0.95 0.16 0.00 0.00 175.35 176.18 3ik4 s THR 164 N 2.30 4.10 0.02 3.43 -4.23 -0.22 -4.96 115.64 116.09 3ik4 s THR 164 Ca 0.21 -1.56 -0.07 0.00 -1.18 0.00 0.00 61.69 59.10 3ik4 s THR 164 Cb -0.16 -3.20 -0.30 0.00 1.34 0.00 0.00 72.50 70.19 3ik4 s THR 164 CO 0.09 -0.34 0.93 0.00 -0.54 0.00 0.00 174.62 174.76 3ik4 h ALA 165 N 1.70 0.14 0.00 3.99 0.00 -1.86 -3.40 119.26 119.83 3ik4 h ALA 165 Ca -0.47 -1.01 0.00 0.00 0.00 0.00 0.00 54.91 53.43 3ik4 h ALA 165 Cb 1.24 0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.25 3ik4 h ALA 165 CO 0.61 1.01 0.00 0.41 0.00 0.00 0.00 179.25 181.27 3ik4 n GLY 166 N 1.67 0.93 0.11 0.00 0.00 -1.26 -4.19 105.19 102.44 3ik4 n GLY 166 Ca -0.16 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.71 3ik4 n GLY 166 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3ik4 h VAL 167 N 0.00 0.82 -3.76 1.61 -1.51 -1.94 -3.33 116.25 108.13 3ik4 h VAL 167 Ca 0.00 -2.57 -0.64 0.00 -1.23 0.00 0.00 66.70 62.26 3ik4 h VAL 167 Cb 0.00 2.53 -0.38 0.00 -2.13 0.00 0.00 31.29 31.32 3ik4 h VAL 167 CO 0.00 0.74 -0.79 -0.62 -1.23 0.00 0.00 177.57 175.67 3ik4 s ASP 168 N -6.69 4.21 0.41 4.19 2.15 -1.26 -5.02 116.67 114.66 3ik4 s ASP 168 Ca -0.13 -1.34 0.11 0.00 0.43 0.00 0.00 52.55 51.62 3ik4 s ASP 168 Cb 0.07 -1.39 0.85 0.00 -0.30 0.00 0.00 42.92 42.15 3ik4 s ASP 168 CO 0.81 -0.22 1.94 -0.37 -0.17 0.00 0.00 175.17 177.16 3ik4 h VAL 169 N 6.72 1.16 0.06 1.11 -1.51 -1.93 -2.55 116.25 119.32 3ik4 h VAL 169 Ca -0.18 -0.73 -0.24 0.00 -1.23 0.00 0.00 66.70 64.32 3ik4 h VAL 169 Cb 1.05 1.25 0.00 0.00 -2.13 0.00 0.00 31.29 31.46 3ik4 h VAL 169 CO 0.44 0.22 -1.08 0.00 -1.23 0.00 0.00 177.57 175.93 3ik4 h ALA 170 N 1.70 0.26 -0.35 5.19 0.00 -1.99 -2.84 119.26 121.23 3ik4 h ALA 170 Ca 0.03 -0.79 -0.13 0.00 0.00 0.00 0.00 54.91 54.01 3ik4 h ALA 170 Cb 0.35 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3ik4 h ALA 170 CO 0.02 0.90 -0.32 -0.92 0.00 0.00 0.00 179.25 178.93 3ik4 h TYR 171 N 0.14 0.90 -0.51 0.00 3.20 -1.94 -1.23 116.97 117.54 3ik4 h TYR 171 Ca -0.10 -0.24 -0.09 0.00 3.14 0.00 0.00 58.73 61.44 3ik4 h TYR 171 Cb 1.76 -0.20 -0.02 0.00 1.54 0.00 0.00 36.73 39.80 3ik4 h TYR 171 CO 0.06 0.99 -0.05 -0.44 -1.64 0.00 0.00 178.16 177.08 3ik4 h ASP 172 N 0.65 0.88 -0.23 -2.11 3.32 -1.53 -2.35 116.42 115.04 3ik4 h ASP 172 Ca 0.07 -0.25 -0.15 0.00 0.02 0.00 0.00 57.03 56.72 3ik4 h ASP 172 Cb 0.86 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 40.17 3ik4 h ASP 172 CO 0.08 0.97 -0.39 -0.07 -1.72 0.00 0.00 179.24 178.10 3ik4 h LEU 173 N 0.82 0.82 -0.99 1.55 3.38 -1.37 -1.70 115.31 117.83 3ik4 h LEU 173 Ca 0.14 -0.37 -0.09 0.00 0.09 0.00 0.00 57.88 57.65 3ik4 h LEU 173 Cb 0.56 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 3ik4 h LEU 173 CO 0.03 1.12 -0.23 0.00 0.09 0.00 0.00 178.44 179.45 3ik4 h ALA 174 N 0.92 1.15 -0.11 1.53 0.00 -1.13 0.49 119.26 122.11 3ik4 h ALA 174 Ca 0.05 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.60 3ik4 h ALA 174 Cb 0.94 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 3ik4 h ALA 174 CO 0.09 0.54 -0.06 0.00 0.00 0.00 0.00 179.25 179.82 3ik4 h ARG 175 N 0.41 0.23 -0.18 0.00 3.08 -1.39 -2.68 114.38 113.85 3ik4 h ARG 175 Ca 0.06 -0.10 -0.05 0.00 0.07 0.00 0.00 59.98 59.96 3ik4 h ARG 175 Cb 0.63 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.66 3ik4 h ARG 175 CO 0.05 0.58 -0.13 -0.07 -1.07 0.00 0.00 179.97 179.32 3ik4 h LEU 176 N -0.13 0.27 -0.20 3.04 3.38 -0.95 0.11 115.31 120.83 3ik4 h LEU 176 Ca 0.02 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 3ik4 h LEU 176 Cb 0.52 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 3ik4 h LEU 176 CO 0.02 0.44 0.07 0.03 0.09 0.00 0.00 178.44 179.08 3ik4 h ARG 177 N 0.27 0.31 -0.50 1.13 3.08 -0.07 -1.47 114.38 117.14 3ik4 h ARG 177 Ca 0.05 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.02 3ik4 h ARG 177 Cb 0.41 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.39 3ik4 h ARG 177 CO 0.02 0.41 0.26 0.00 -1.07 0.00 0.00 179.97 179.59 3ik4 h ALA 178 N 0.89 0.64 -0.58 0.04 0.00 -1.10 0.98 119.26 120.12 3ik4 h ALA 178 Ca 0.07 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 3ik4 h ALA 178 Cb 0.22 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3ik4 h ALA 178 CO -0.00 0.18 0.16 0.82 0.00 0.00 0.00 179.25 180.41 3ik4 h ILE 179 N 0.66 1.24 -0.09 0.00 2.04 -0.98 -1.61 117.51 118.77 3ik4 h ILE 179 Ca 0.17 -0.85 -0.15 0.00 1.00 0.00 0.00 64.86 65.03 3ik4 h ILE 179 Cb 0.08 0.70 -0.01 0.00 -0.74 0.00 0.00 36.82 36.84 3ik4 h ILE 179 CO -0.03 0.32 -0.60 -0.74 0.00 0.00 0.00 178.15 177.10 3ik4 h HIS 180 N 0.83 0.39 -0.54 1.37 2.76 -1.06 -1.49 115.15 117.41 3ik4 h HIS 180 Ca 0.18 -0.15 -0.05 0.00 -2.20 0.00 0.00 60.37 58.15 3ik4 h HIS 180 Cb 0.31 -0.07 -0.02 0.00 1.55 0.00 0.00 27.41 29.18 3ik4 h HIS 180 CO 0.02 0.83 0.13 0.37 -1.30 0.00 0.00 177.93 177.98 3ik4 h GLN 181 N 0.23 0.87 0.00 5.26 4.15 -0.63 -2.40 115.11 122.59 3ik4 h GLN 181 Ca -0.01 -0.21 -0.10 0.00 0.77 0.00 0.00 58.65 59.10 3ik4 h GLN 181 Cb 1.11 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 28.68 3ik4 h GLN 181 CO 0.10 0.82 -0.49 0.00 -1.93 0.00 0.00 178.83 177.33 3ik4 h ALA 182 N 1.01 0.83 -2.24 3.38 0.00 -1.23 -3.39 119.26 117.63 3ik4 h ALA 182 Ca 0.17 -0.45 -0.55 0.00 0.00 0.00 0.00 54.91 54.08 3ik4 h ALA 182 Cb 0.34 -0.08 -0.36 0.00 0.00 0.00 0.00 17.79 17.70 3ik4 h ALA 182 CO 0.00 0.61 -0.93 0.00 0.00 0.00 0.00 179.25 178.94 3ik4 s ALA 183 N -3.33 1.05 -0.35 0.00 0.00 -0.57 -4.54 121.76 114.02 3ik4 s ALA 183 Ca 0.01 -2.24 0.27 0.00 0.00 0.00 0.00 51.96 50.00 3ik4 s ALA 183 Cb 0.10 -1.69 0.92 0.00 0.00 0.00 0.00 23.12 22.45 3ik4 s ALA 183 CO 0.72 -2.00 1.79 -1.00 0.00 0.00 0.00 175.76 175.27 3ik4 h PRO 184 N 5.63 0.00 -0.34 0.00 0.13 -1.63 -3.10 132.00 132.69 3ik4 h PRO 184 Ca 0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.37 3ik4 h PRO 184 Cb 0.93 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.06 3ik4 h PRO 184 CO 0.33 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 178.35 3ik4 n THR 185 N -2.68 0.43 -3.55 1.56 -2.24 -1.26 -4.91 114.28 101.64 3ik4 n THR 185 Ca 0.03 -0.64 -0.38 0.00 -2.27 0.00 0.00 64.05 60.79 3ik4 n THR 185 Cb 0.36 0.81 -0.10 0.00 -2.10 0.00 0.00 70.33 69.29 3ik4 n THR 185 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ik4 s ALA 186 N -1.57 3.55 0.47 6.98 0.00 -1.17 -4.97 121.76 125.05 3ik4 s ALA 186 Ca 0.37 -0.99 -0.23 0.00 0.00 0.00 0.00 51.96 51.11 3ik4 s ALA 186 Cb 0.21 -2.52 -0.07 0.00 0.00 0.00 0.00 23.12 20.74 3ik4 s ALA 186 CO 0.30 -0.52 1.19 -1.25 0.00 0.00 0.00 175.76 175.47 3ik4 s PRO 187 N 1.73 3.68 -0.17 0.00 0.04 -1.26 -4.83 135.00 134.19 3ik4 s PRO 187 Ca 0.09 1.83 -0.00 0.00 0.04 0.00 0.00 61.00 62.96 3ik4 s PRO 187 Cb -0.16 -2.39 0.00 0.00 0.04 0.00 0.00 34.50 32.00 3ik4 s PRO 187 CO 0.10 -0.63 -0.14 -0.51 0.04 0.00 0.00 177.00 175.85 3ik4 s LEU 188 N -3.09 2.49 -0.31 -3.56 1.43 -0.70 -2.04 118.68 112.91 3ik4 s LEU 188 Ca 0.65 -0.48 -0.15 0.00 -1.03 0.00 0.00 54.13 53.12 3ik4 s LEU 188 Cb -0.30 -1.58 -0.03 0.00 0.03 0.00 0.00 46.19 44.32 3ik4 s LEU 188 CO 0.36 0.05 0.35 -0.63 0.23 0.00 0.00 176.35 176.71 3ik4 s ILE 189 N 1.00 5.19 -0.32 -0.59 1.09 -0.44 -0.25 121.20 126.86 3ik4 s ILE 189 Ca -0.02 0.26 -0.11 0.00 -1.10 0.00 0.00 60.65 59.69 3ik4 s ILE 189 Cb -0.15 -3.74 -0.01 0.00 -1.06 0.00 0.00 42.46 37.51 3ik4 s ILE 189 CO -0.03 0.04 0.18 -0.69 -0.10 0.00 0.00 174.94 174.35 3ik4 s VAL 190 N 2.01 4.81 -0.57 2.92 1.01 0.03 -0.61 120.40 130.01 3ik4 s VAL 190 Ca 0.12 -0.39 -0.19 0.00 0.00 0.00 0.00 61.98 61.52 3ik4 s VAL 190 Cb -0.16 -3.48 0.09 0.00 0.00 0.00 0.00 36.38 32.83 3ik4 s VAL 190 CO 0.11 0.02 0.70 -0.62 0.00 0.00 0.00 175.10 175.31 3ik4 s ASP 191 N 1.64 6.19 0.49 3.32 2.15 0.21 0.39 116.67 131.08 3ik4 s ASP 191 Ca 0.05 -1.25 0.27 0.00 0.43 0.00 0.00 52.55 52.05 3ik4 s ASP 191 Cb -0.17 -2.31 1.20 0.00 -0.30 0.00 0.00 42.92 41.34 3ik4 s ASP 191 CO 0.08 -1.07 1.94 1.23 -0.17 0.00 0.00 175.17 177.18 3ik4 h GLY 192 N 9.98 0.00 -6.41 2.66 0.00 -1.20 -0.55 103.07 107.54 3ik4 h GLY 192 Ca -0.29 0.00 -0.48 0.00 0.00 0.00 0.00 47.33 46.56 3ik4 h GLY 192 CO 1.07 0.00 -0.87 -2.01 0.00 0.00 0.00 176.54 174.72 3ik4 n ASN 193 N -3.39 -0.57 -0.75 0.19 5.15 -1.00 -2.07 115.26 112.80 3ik4 n ASN 193 Ca -0.00 -0.97 -0.09 0.00 -0.60 0.00 0.00 54.58 52.92 3ik4 n ASN 193 Cb 0.34 -3.27 -0.04 0.00 -0.53 0.00 0.00 39.78 36.28 3ik4 n ASN 193 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3ik4 h GLY 195 N 0.00 0.00 -1.81 0.00 0.00 -1.29 -3.32 103.07 96.65 3ik4 h GLY 195 Ca -0.19 0.00 -0.47 0.00 0.00 0.00 0.00 47.33 46.67 3ik4 h GLY 195 CO 0.28 0.00 0.07 -0.19 0.00 0.00 0.00 176.54 176.71 3ik4 s TYR 196 N -3.30 3.22 0.00 5.60 2.02 -0.44 -4.08 117.35 120.37 3ik4 s TYR 196 Ca 0.02 0.47 0.00 0.00 -0.37 0.00 0.00 57.07 57.18 3ik4 s TYR 196 Cb 0.10 -2.60 0.00 0.00 -0.40 0.00 0.00 41.96 39.06 3ik4 s TYR 196 CO 0.76 -0.67 0.00 -0.40 -1.57 0.00 0.00 175.55 173.67 3ik4 n ASP 197 N -2.40 1.08 -0.01 2.29 3.85 -1.26 -4.43 116.55 115.66 3ik4 n ASP 197 Ca 0.04 -0.61 -0.13 0.00 -0.71 0.00 0.00 54.79 53.38 3ik4 n ASP 197 Cb 0.58 0.00 -0.09 0.00 -1.35 0.00 0.00 41.12 40.26 3ik4 n ASP 197 CO 0.00 0.00 0.00 0.58 -1.01 0.00 0.00 177.20 176.77 3ik4 h VAL 198 N 0.33 1.30 -0.11 2.12 2.07 -1.96 -2.12 116.25 117.88 3ik4 h VAL 198 Ca 0.00 -0.92 -0.16 0.00 0.82 0.00 0.00 66.70 66.44 3ik4 h VAL 198 Cb 0.00 1.86 -0.01 0.00 -1.52 0.00 0.00 31.29 31.62 3ik4 h VAL 198 CO 0.00 0.25 -0.62 1.05 0.02 0.00 0.00 177.57 178.26 3ik4 h GLU 199 N -0.30 0.38 -0.28 1.57 4.11 -1.99 -2.78 114.58 115.29 3ik4 h GLU 199 Ca 0.01 -0.27 -0.13 0.00 0.07 0.00 0.00 59.36 59.04 3ik4 h GLU 199 Cb 0.40 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 3ik4 h GLU 199 CO 0.00 0.88 -0.35 0.00 0.07 0.00 0.00 179.01 179.61 3ik4 h ARG 200 N 0.28 0.63 -0.32 1.06 3.08 -1.97 -2.05 114.38 115.09 3ik4 h ARG 200 Ca -0.01 -0.30 -0.05 0.00 0.07 0.00 0.00 59.98 59.69 3ik4 h ARG 200 Cb 1.16 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 31.19 3ik4 h ARG 200 CO 0.11 0.89 -0.01 0.00 -1.07 0.00 0.00 179.97 179.89 3ik4 h ALA 201 N 1.08 0.43 -0.07 0.04 0.00 -1.35 -1.74 119.26 117.65 3ik4 h ALA 201 Ca 0.05 -0.25 -0.10 0.00 0.00 0.00 0.00 54.91 54.62 3ik4 h ALA 201 Cb 0.85 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 3ik4 h ALA 201 CO 0.07 0.20 -0.43 -0.07 0.00 0.00 0.00 179.25 179.02 3ik4 h LEU 202 N 0.37 0.16 -0.40 0.00 3.38 -1.49 -1.07 115.31 116.25 3ik4 h LEU 202 Ca 0.09 -0.07 -0.10 0.00 0.09 0.00 0.00 57.88 57.89 3ik4 h LEU 202 Cb 0.46 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 3ik4 h LEU 202 CO 0.02 0.57 -0.16 0.00 0.09 0.00 0.00 178.44 178.96 3ik4 h ALA 203 N 1.44 0.56 -0.14 1.53 0.00 -1.30 -0.99 119.26 120.35 3ik4 h ALA 203 Ca 0.01 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.57 3ik4 h ALA 203 Cb 0.81 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 3ik4 h ALA 203 CO 0.06 0.48 0.09 0.35 0.00 0.00 0.00 179.25 180.24 3ik4 h PHE 204 N 0.62 0.18 0.41 0.00 3.04 -1.06 -2.76 116.94 117.37 3ik4 h PHE 204 Ca 0.09 0.00 -0.02 0.00 3.98 0.00 0.00 57.97 62.03 3ik4 h PHE 204 Cb 0.71 -0.06 0.00 0.00 2.56 0.00 0.00 35.95 39.16 3ik4 h PHE 204 CO 0.05 0.12 -0.20 0.00 -2.02 0.00 0.00 178.31 176.26 3ik4 h ALA 206 N -0.35 2.37 -0.05 0.00 0.00 -1.27 0.10 119.26 120.07 3ik4 h ALA 206 Ca -0.06 -0.01 -0.24 0.00 0.00 0.00 0.00 54.91 54.60 3ik4 h ALA 206 Cb 0.54 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.36 3ik4 h ALA 206 CO 0.09 -0.52 -0.93 0.00 0.00 0.00 0.00 179.25 177.90 3ik4 h ALA 207 N 1.74 0.27 -0.52 0.00 0.00 -1.40 0.51 119.26 119.86 3ik4 h ALA 207 Ca 0.25 -0.67 -0.05 0.00 0.00 0.00 0.00 54.91 54.44 3ik4 h ALA 207 Cb 0.88 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 3ik4 h ALA 207 CO -0.02 0.72 0.12 0.00 0.00 0.00 0.00 179.25 180.07 3ik4 h LYS 209 N 0.76 0.90 0.00 0.00 3.64 -0.85 0.28 116.57 121.30 3ik4 h LYS 209 Ca 0.17 -0.40 -0.08 0.00 -1.27 0.00 0.00 60.65 59.07 3ik4 h LYS 209 Cb 0.29 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.07 3ik4 h LYS 209 CO -0.00 1.05 -0.40 0.00 -2.27 0.00 0.00 179.45 177.82 3ik4 h ALA 210 N 0.83 1.26 -0.37 5.00 0.00 -0.42 -3.17 119.26 122.39 3ik4 h ALA 210 Ca 0.09 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3ik4 h ALA 210 Cb 0.78 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.51 3ik4 h ALA 210 CO 0.06 0.50 0.00 0.39 0.00 0.00 0.00 179.25 180.20 3ik4 n GLU 211 N -3.95 3.27 -4.04 0.00 1.02 -0.04 -4.97 120.64 111.94 3ik4 n GLU 211 Ca -0.02 -2.73 -0.32 0.00 -0.02 0.00 0.00 57.16 54.07 3ik4 n GLU 211 Cb 0.45 -1.79 0.00 0.00 -0.02 0.00 0.00 31.44 30.08 3ik4 n GLU 211 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 3ik4 n SER 212 N 0.05 -3.83 -4.65 1.62 3.41 -1.01 -4.94 113.62 104.27 3ik4 n SER 212 Ca 0.21 -0.89 -0.42 0.00 -0.26 0.00 0.00 58.87 57.51 3ik4 n SER 212 Cb 0.84 -3.39 -0.03 0.00 -0.26 0.00 0.00 64.21 61.37 3ik4 n SER 212 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3ik4 s ILE 213 N -3.35 4.75 -0.22 -1.33 1.01 0.97 -4.94 121.20 118.10 3ik4 s ILE 213 Ca 0.63 1.83 -0.06 0.00 0.00 0.00 0.00 60.65 63.05 3ik4 s ILE 213 Cb -0.33 -4.23 -0.24 0.00 0.01 0.00 0.00 42.46 37.67 3ik4 s ILE 213 CO 0.87 -0.13 3.46 -0.81 0.00 0.00 0.00 174.94 178.33 3ik4 n PRO 214 N 6.16 2.18 -1.89 2.79 -0.04 -1.26 -4.66 135.00 138.28 3ik4 n PRO 214 Ca 0.09 -1.14 -0.42 0.00 -0.04 0.00 0.00 63.50 61.99 3ik4 n PRO 214 Cb 0.47 -2.10 -0.03 0.00 -0.04 0.00 0.00 33.50 31.80 3ik4 n PRO 214 CO 0.00 0.00 0.00 1.41 -0.04 0.00 0.00 175.50 176.87 3ik4 s MET 215 N 1.22 4.18 -0.03 0.54 1.75 -1.26 -1.72 119.30 123.98 3ik4 s MET 215 Ca 0.66 2.37 0.16 0.00 -1.25 0.00 0.00 55.69 57.63 3ik4 s MET 215 Cb 0.29 -3.69 -0.25 0.00 2.84 0.00 0.00 34.83 34.02 3ik4 s MET 215 CO -0.01 -0.78 0.34 1.55 -0.65 0.00 0.00 175.02 175.47 3ik4 n VAL 216 N 4.88 0.08 -3.67 10.11 3.14 0.65 -4.88 118.33 128.65 3ik4 n VAL 216 Ca 0.17 -0.40 -0.13 0.00 -2.96 0.00 0.00 64.34 61.02 3ik4 n VAL 216 Cb 0.40 0.07 -0.08 0.00 -1.06 0.00 0.00 33.84 33.17 3ik4 n VAL 216 CO 0.00 0.00 0.00 -0.22 -6.46 0.00 0.00 176.83 170.15 3ik4 s LEU 217 N -4.22 -0.33 -0.37 6.55 2.96 -1.20 -4.39 118.68 117.68 3ik4 s LEU 217 Ca -0.06 1.22 -0.03 0.00 -0.22 0.00 0.00 54.13 55.04 3ik4 s LEU 217 Cb 0.10 2.05 0.09 0.00 0.50 0.00 0.00 46.19 48.93 3ik4 s LEU 217 CO 0.68 -0.21 0.14 0.12 -1.32 0.00 0.00 176.35 175.76 3ik4 s PHE 218 N 0.47 3.47 -0.13 5.38 5.36 0.07 -0.79 117.98 131.82 3ik4 s PHE 218 Ca -0.01 -2.18 -0.23 0.00 -0.96 0.00 0.00 56.93 53.55 3ik4 s PHE 218 Cb -0.04 -2.85 -0.03 0.00 -0.34 0.00 0.00 43.02 39.76 3ik4 s PHE 218 CO -0.01 -0.91 0.71 -2.00 -1.46 0.00 0.00 175.22 171.55 3ik4 s GLU 219 N 1.20 4.34 -0.32 10.12 2.12 0.16 -1.04 118.70 135.27 3ik4 s GLU 219 Ca 0.04 0.83 -0.02 0.00 0.36 0.00 0.00 54.97 56.18 3ik4 s GLU 219 Cb -0.22 -3.52 0.00 0.00 0.26 0.00 0.00 34.13 30.66 3ik4 s GLU 219 CO -0.03 -0.12 0.22 0.94 -0.54 0.00 0.00 175.26 175.74 3ik4 n GLN 220 N 4.50 -0.59 0.21 4.30 -0.06 0.22 -0.93 117.38 125.03 3ik4 n GLN 220 Ca -0.00 0.19 0.09 0.00 -2.00 0.00 0.00 57.00 55.28 3ik4 n GLN 220 Cb 0.50 -0.74 0.43 0.00 -4.06 0.00 0.00 30.24 26.37 3ik4 n GLN 220 CO 0.00 0.00 0.00 -1.00 -0.20 0.00 0.00 177.06 175.86 3ik4 h PRO 221 N 0.58 0.00 -6.18 3.69 0.13 -1.84 -0.92 132.00 127.46 3ik4 h PRO 221 Ca -0.24 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.30 3ik4 h PRO 221 Cb 0.52 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 31.53 3ik4 h PRO 221 CO 0.14 0.26 -0.69 -0.51 -0.23 0.00 0.00 178.00 176.98 3ik4 s LEU 222 N -6.91 2.90 0.78 1.56 1.02 -1.26 -1.33 118.68 115.44 3ik4 s LEU 222 Ca 0.00 -0.86 -0.15 0.00 0.02 0.00 0.00 54.13 53.14 3ik4 s LEU 222 Cb 0.11 -1.40 -0.01 0.00 0.02 0.00 0.00 46.19 44.91 3ik4 s LEU 222 CO 0.65 -0.01 0.59 -2.65 0.02 0.00 0.00 176.35 174.95 3ik4 n PRO 223 N -0.78 0.18 -0.17 1.29 -0.02 -1.25 -4.24 135.00 130.01 3ik4 n PRO 223 Ca -0.06 0.11 -0.05 0.00 -2.02 0.00 0.00 63.50 61.49 3ik4 n PRO 223 Cb 0.60 -1.92 0.05 0.00 -0.02 0.00 0.00 33.50 32.21 3ik4 n PRO 223 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 3ik4 h ARG 224 N -0.67 0.53 0.00 -0.52 2.43 -1.95 -3.02 114.38 111.17 3ik4 h ARG 224 Ca -0.45 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.69 3ik4 h ARG 224 Cb 1.33 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.76 3ik4 h ARG 224 CO 0.41 0.35 0.00 -0.85 -1.51 0.00 0.00 179.97 178.37 3ik4 n GLU 225 N -4.85 0.18 -2.56 0.20 0.00 -1.26 -3.97 120.64 108.37 3ik4 n GLU 225 Ca 0.04 0.10 -0.43 0.00 0.00 0.00 0.00 57.16 56.87 3ik4 n GLU 225 Cb 0.11 -1.50 0.00 0.00 0.00 0.00 0.00 31.44 30.06 3ik4 n GLU 225 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 3ik4 n ASP 226 N -1.38 5.25 -0.05 -1.84 4.64 -1.14 -4.80 116.55 117.23 3ik4 n ASP 226 Ca 0.08 -3.11 -0.11 0.00 -1.38 0.00 0.00 54.79 50.28 3ik4 n ASP 226 Cb 0.21 -1.48 0.02 0.00 -1.04 0.00 0.00 41.12 38.83 3ik4 n ASP 226 CO 0.00 0.00 0.00 -0.50 -0.82 0.00 0.00 177.20 175.88 3ik4 h TRP 227 N 6.06 0.89 -0.15 -0.67 4.06 -1.84 -2.13 115.95 122.18 3ik4 h TRP 227 Ca 0.35 -0.29 -0.09 0.00 2.06 0.00 0.00 58.89 60.92 3ik4 h TRP 227 Cb 0.69 -0.18 0.00 0.00 -1.00 0.00 0.00 29.16 28.67 3ik4 h TRP 227 CO 1.18 1.06 -0.26 0.00 -3.56 0.00 0.00 178.44 176.87 3ik4 h ALA 228 N 0.88 0.23 -0.71 1.49 0.00 -1.95 -2.04 119.26 117.17 3ik4 h ALA 228 Ca 0.03 -0.39 -0.02 0.00 0.00 0.00 0.00 54.91 54.53 3ik4 h ALA 228 Cb 1.05 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.77 3ik4 h ALA 228 CO 0.10 0.21 0.37 0.78 0.00 0.00 0.00 179.25 180.71 3ik4 h GLY 229 N 0.04 1.07 0.79 0.00 0.00 -1.96 0.18 103.07 103.20 3ik4 h GLY 229 Ca 0.01 -0.51 0.04 0.00 0.00 0.00 0.00 47.33 46.87 3ik4 h GLY 229 CO 0.06 0.49 0.38 -0.33 0.00 0.00 0.00 176.54 177.13 3ik4 h MET 230 N 0.98 0.70 -0.09 4.80 2.07 -1.41 -0.61 114.93 121.38 3ik4 h MET 230 Ca 0.25 -0.04 -0.04 0.00 -2.07 0.00 0.00 59.70 57.80 3ik4 h MET 230 Cb 0.07 -0.16 -0.01 0.00 -1.87 0.00 0.00 31.60 29.64 3ik4 h MET 230 CO -0.04 0.46 -0.11 0.00 1.07 0.00 0.00 176.91 178.29 3ik4 h ALA 231 N 1.30 1.65 -0.02 6.32 0.00 -0.84 -2.29 119.26 125.39 3ik4 h ALA 231 Ca 0.27 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 3ik4 h ALA 231 Cb 0.09 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3ik4 h ALA 231 CO -0.14 0.26 -0.15 1.96 0.00 0.00 0.00 179.25 181.18 3ik4 h GLN 232 N 0.13 0.14 -0.59 0.00 1.08 0.34 -2.67 115.11 113.54 3ik4 h GLN 232 Ca 0.03 -0.12 0.05 0.00 -1.45 0.00 0.00 58.65 57.16 3ik4 h GLN 232 Cb 0.29 0.03 -0.05 0.00 -0.05 0.00 0.00 27.48 27.69 3ik4 h GLN 232 CO 0.02 0.80 0.31 0.28 -0.95 0.00 0.00 178.83 179.29 3ik4 h VAL 233 N -0.47 0.96 -0.99 -0.54 2.07 -1.15 0.22 116.25 116.35 3ik4 h VAL 233 Ca -0.01 -0.20 0.02 0.00 0.82 0.00 0.00 66.70 67.32 3ik4 h VAL 233 Cb 0.83 0.31 -0.05 0.00 -1.52 0.00 0.00 31.29 30.86 3ik4 h VAL 233 CO 0.03 0.11 0.66 0.74 0.02 0.00 0.00 177.57 179.13 3ik4 h THR 234 N 0.59 1.24 0.11 2.57 2.02 -1.47 0.13 112.91 118.10 3ik4 h THR 234 Ca 0.26 -0.46 -0.28 0.00 0.77 0.00 0.00 66.41 66.70 3ik4 h THR 234 Cb 0.16 -0.21 0.02 0.00 -1.74 0.00 0.00 68.15 66.38 3ik4 h THR 234 CO -0.17 0.24 -1.21 0.00 0.37 0.00 0.00 175.52 174.75 3ik4 h ALA 235 N 1.39 0.07 0.00 6.16 0.00 -1.08 -3.42 119.26 122.39 3ik4 h ALA 235 Ca 0.37 -0.79 -0.38 0.00 0.00 0.00 0.00 54.91 54.11 3ik4 h ALA 235 Cb -0.12 0.07 -0.07 0.00 0.00 0.00 0.00 17.79 17.67 3ik4 h ALA 235 CO -0.09 0.77 -2.42 0.94 0.00 0.00 0.00 179.25 178.45 3ik4 n GLN 236 N -3.72 0.68 0.13 0.00 -0.06 0.73 -4.59 117.38 110.55 3ik4 n GLN 236 Ca -0.12 0.06 0.02 0.00 -2.00 0.00 0.00 57.00 54.97 3ik4 n GLN 236 Cb 0.98 -1.52 0.39 0.00 -4.06 0.00 0.00 30.24 26.03 3ik4 n GLN 236 CO 0.00 0.00 0.00 0.66 -0.20 0.00 0.00 177.06 177.52 3ik4 h SER 237 N 0.00 0.18 0.00 1.69 4.64 -0.93 -3.47 113.55 115.67 3ik4 h SER 237 Ca -0.56 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 60.72 3ik4 h SER 237 Cb 2.10 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 64.14 3ik4 h SER 237 CO -0.02 0.37 0.00 0.61 -0.87 0.00 0.00 176.83 176.92 3ik4 n GLY 238 N -0.83 0.74 3.43 -0.77 0.00 -1.26 -4.63 105.19 101.87 3ik4 n GLY 238 Ca -0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 3ik4 n GLY 238 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3ik4 s PHE 239 N -2.67 2.44 0.27 1.61 0.40 -1.26 -5.11 117.98 113.66 3ik4 s PHE 239 Ca 0.00 -0.32 -0.31 0.00 -0.60 0.00 0.00 56.93 55.71 3ik4 s PHE 239 Cb 0.00 -1.36 -0.13 0.00 0.51 0.00 0.00 43.02 42.05 3ik4 s PHE 239 CO 0.00 0.30 1.50 0.00 0.70 0.00 0.00 175.22 177.72 3ik4 n ALA 240 N 1.17 1.82 -3.08 5.36 0.00 -1.26 -4.82 120.51 119.70 3ik4 n ALA 240 Ca -0.17 0.39 -0.32 0.00 0.00 0.00 0.00 53.44 53.35 3ik4 n ALA 240 Cb 0.52 -2.37 -0.16 0.00 0.00 0.00 0.00 19.45 17.45 3ik4 n ALA 240 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3ik4 s VAL 241 N -0.02 2.30 -0.08 0.00 1.01 -1.26 -0.75 120.40 121.59 3ik4 s VAL 241 Ca 0.66 -0.95 -0.03 0.00 0.00 0.00 0.00 61.98 61.66 3ik4 s VAL 241 Cb -0.57 -1.89 -0.04 0.00 0.00 0.00 0.00 36.38 33.88 3ik4 s VAL 241 CO 0.49 0.56 0.06 0.00 0.00 0.00 0.00 175.10 176.21 3ik4 s ALA 242 N 0.22 3.53 -0.20 5.51 0.00 -0.21 0.11 121.76 130.73 3ik4 s ALA 242 Ca -0.14 -0.76 -0.09 0.00 0.00 0.00 0.00 51.96 50.97 3ik4 s ALA 242 Cb -0.17 -1.66 -0.05 0.00 0.00 0.00 0.00 23.12 21.25 3ik4 s ALA 242 CO 0.07 0.62 0.11 0.00 0.00 0.00 0.00 175.76 176.56 3ik4 s ALA 243 N -0.99 3.59 0.00 0.00 0.00 0.24 -0.61 121.76 124.00 3ik4 s ALA 243 Ca 0.16 -0.72 0.00 0.00 0.00 0.00 0.00 51.96 51.40 3ik4 s ALA 243 Cb -0.12 -2.09 0.00 0.00 0.00 0.00 0.00 23.12 20.91 3ik4 s ALA 243 CO 0.05 0.15 0.00 -3.47 0.00 0.00 0.00 175.76 172.49 3ik4 n ASP 244 N 3.55 0.00 0.27 0.00 2.03 -1.26 -1.07 116.55 120.07 3ik4 n ASP 244 Ca -0.16 0.00 0.10 0.00 0.52 0.00 0.00 54.79 55.25 3ik4 n ASP 244 Cb 0.52 -0.01 0.73 0.00 -0.72 0.00 0.00 41.12 41.64 3ik4 n ASP 244 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 3ik4 h GLU 245 N 0.00 0.00 0.00 -0.67 3.07 -1.93 -0.19 114.58 114.85 3ik4 h GLU 245 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3ik4 h GLU 245 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 3ik4 h GLU 245 CO 0.00 0.02 -0.14 0.43 -1.40 0.00 0.00 179.01 177.92 3ik4 n SER 246 N -4.25 0.31 -3.90 1.42 7.64 -1.26 -4.40 113.62 109.18 3ik4 n SER 246 Ca -0.03 0.35 -0.29 0.00 1.01 0.00 0.00 58.87 59.92 3ik4 n SER 246 Cb 0.10 -0.38 -0.13 0.00 -1.01 0.00 0.00 64.21 62.80 3ik4 n SER 246 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3ik4 s ALA 247 N -3.03 3.51 -0.17 -0.43 0.00 -0.08 -4.70 121.76 116.86 3ik4 s ALA 247 Ca 0.12 -3.55 0.03 0.00 0.00 0.00 0.00 51.96 48.57 3ik4 s ALA 247 Cb 0.17 -2.14 -0.04 0.00 0.00 0.00 0.00 23.12 21.11 3ik4 s ALA 247 CO 0.59 -2.06 0.15 0.54 0.00 0.00 0.00 175.76 174.98 3ik4 n ARG 248 N 2.48 5.78 -4.12 0.00 5.12 -1.26 -4.78 116.66 119.88 3ik4 n ARG 248 Ca 0.14 -0.01 -0.11 0.00 -1.93 0.00 0.00 57.85 55.94 3ik4 n ARG 248 Cb 0.34 -0.67 -0.08 0.00 -1.16 0.00 0.00 32.46 30.89 3ik4 n ARG 248 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 3ik4 s SER 249 N -1.31 0.07 0.33 0.55 1.04 -1.26 -4.50 113.70 108.63 3ik4 s SER 249 Ca 0.01 -1.21 0.14 0.00 0.48 0.00 0.00 55.95 55.37 3ik4 s SER 249 Cb 0.03 0.45 0.57 0.00 0.10 0.00 0.00 66.02 67.16 3ik4 s SER 249 CO 0.14 -0.93 1.71 0.00 0.98 0.00 0.00 173.24 175.14 3ik4 h ALA 250 N 2.51 1.10 -0.29 5.32 0.00 -1.94 -2.30 119.26 123.66 3ik4 h ALA 250 Ca -0.33 -0.43 -0.12 0.00 0.00 0.00 0.00 54.91 54.03 3ik4 h ALA 250 Cb 1.25 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 3ik4 h ALA 250 CO 0.47 0.60 -0.31 1.25 0.00 0.00 0.00 179.25 181.26 3ik4 h HIS 251 N 0.00 0.69 -0.02 0.00 -0.00 -1.99 -1.83 115.15 112.02 3ik4 h HIS 251 Ca -0.00 -0.17 -0.00 0.00 -0.00 0.00 0.00 60.37 60.19 3ik4 h HIS 251 Cb 0.91 -0.16 -0.00 0.00 -0.00 0.00 0.00 27.41 28.15 3ik4 h HIS 251 CO 0.00 0.84 0.01 -0.44 -0.00 0.00 0.00 177.93 178.34 3ik4 h ASP 252 N 0.52 0.02 -0.88 3.26 3.45 -1.80 -1.77 116.42 119.21 3ik4 h ASP 252 Ca 0.06 -0.12 -0.02 0.00 0.43 0.00 0.00 57.03 57.39 3ik4 h ASP 252 Cb 0.79 -0.01 -0.04 0.00 -0.56 0.00 0.00 39.33 39.51 3ik4 h ASP 252 CO 0.06 0.14 0.49 0.58 -1.57 0.00 0.00 179.24 178.94 3ik4 h VAL 253 N -0.09 1.25 -0.33 -1.35 2.07 -1.36 0.21 116.25 116.65 3ik4 h VAL 253 Ca 0.01 -0.62 0.01 0.00 0.82 0.00 0.00 66.70 66.92 3ik4 h VAL 253 Cb 0.12 0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 29.92 3ik4 h VAL 253 CO -0.00 0.28 0.20 -0.07 0.02 0.00 0.00 177.57 178.00 3ik4 h LEU 254 N 1.23 0.32 -0.77 2.57 3.38 -1.29 -0.73 115.31 120.02 3ik4 h LEU 254 Ca 0.31 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.24 3ik4 h LEU 254 Cb 0.01 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 3ik4 h LEU 254 CO -0.05 0.23 0.32 -0.09 0.09 0.00 0.00 178.44 178.94 3ik4 h ARG 255 N 0.40 1.15 -0.76 1.13 2.43 -0.55 -1.68 114.38 116.50 3ik4 h ARG 255 Ca 0.13 -0.20 -0.02 0.00 -0.81 0.00 0.00 59.98 59.08 3ik4 h ARG 255 Cb -0.01 -0.19 -0.04 0.00 -0.42 0.00 0.00 29.97 29.32 3ik4 h ARG 255 CO -0.05 0.93 0.40 0.82 -1.51 0.00 0.00 179.97 180.55 3ik4 h ILE 256 N 1.11 1.23 -0.58 1.20 2.04 -0.34 -0.94 117.51 121.23 3ik4 h ILE 256 Ca 0.26 -0.60 -0.03 0.00 1.00 0.00 0.00 64.86 65.48 3ik4 h ILE 256 Cb 0.20 0.24 -0.03 0.00 -0.74 0.00 0.00 36.82 36.50 3ik4 h ILE 256 CO -0.02 0.26 0.23 0.00 0.00 0.00 0.00 178.15 178.62 3ik4 h ALA 257 N 1.21 0.75 -0.41 1.87 0.00 -0.96 -0.01 119.26 121.71 3ik4 h ALA 257 Ca 0.26 -0.17 -0.13 0.00 0.00 0.00 0.00 54.91 54.88 3ik4 h ALA 257 Cb 0.06 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3ik4 h ALA 257 CO -0.04 0.37 -0.24 0.00 0.00 0.00 0.00 179.25 179.34 3ik4 h ARG 258 N 0.80 0.88 0.00 0.00 3.08 -0.90 -3.34 114.38 114.90 3ik4 h ARG 258 Ca 0.19 -0.41 -0.28 0.00 0.07 0.00 0.00 59.98 59.56 3ik4 h ARG 258 Cb 0.21 -0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.19 3ik4 h ARG 258 CO -0.02 1.06 -1.77 0.39 -1.07 0.00 0.00 179.97 178.56 3ik4 n GLU 259 N -4.18 0.64 -1.90 0.04 1.02 -0.40 -4.99 120.64 110.88 3ik4 n GLU 259 Ca -0.01 0.23 0.00 0.00 -0.02 0.00 0.00 57.16 57.36 3ik4 n GLU 259 Cb 0.46 -1.75 0.00 0.00 -0.02 0.00 0.00 31.44 30.13 3ik4 n GLU 259 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3ik4 n GLY 260 N 1.55 0.70 0.16 0.62 0.00 -0.03 -4.94 105.19 103.25 3ik4 n GLY 260 Ca -0.18 -0.72 -0.06 0.00 0.00 0.00 0.00 46.02 45.06 3ik4 n GLY 260 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3ik4 h THR 261 N 0.00 0.87 -4.08 2.61 2.02 -1.81 -3.38 112.91 109.14 3ik4 h THR 261 Ca 0.00 -0.09 -0.11 0.00 0.77 0.00 0.00 66.41 66.98 3ik4 h THR 261 Cb 0.88 0.59 -0.15 0.00 -1.74 0.00 0.00 68.15 67.73 3ik4 h THR 261 CO 0.00 0.05 -0.56 0.00 0.37 0.00 0.00 175.52 175.38 3ik4 s ALA 262 N -6.16 0.23 -0.82 6.16 0.00 -1.26 -3.53 121.76 116.39 3ik4 s ALA 262 Ca -0.13 -0.99 0.22 0.00 0.00 0.00 0.00 51.96 51.06 3ik4 s ALA 262 Cb 0.12 0.38 -0.17 0.00 0.00 0.00 0.00 23.12 23.45 3ik4 s ALA 262 CO 0.71 -0.43 0.89 -1.13 0.00 0.00 0.00 175.76 175.80 3ik4 n SER 263 N 0.03 0.78 -3.97 0.00 3.41 0.12 -4.86 113.62 109.13 3ik4 n SER 263 Ca -0.14 -0.72 -0.15 0.00 -0.26 0.00 0.00 58.87 57.60 3ik4 n SER 263 Cb 0.62 1.08 -0.14 0.00 -0.26 0.00 0.00 64.21 65.51 3ik4 n SER 263 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3ik4 s VAL 264 N -3.10 0.39 -0.25 -3.33 1.01 -0.19 -0.44 120.40 114.49 3ik4 s VAL 264 Ca 0.05 -0.42 -0.05 0.00 0.00 0.00 0.00 61.98 61.56 3ik4 s VAL 264 Cb 0.16 -0.37 -0.00 0.00 0.00 0.00 0.00 36.38 36.16 3ik4 s VAL 264 CO 0.86 -0.03 0.02 -0.63 0.00 0.00 0.00 175.10 175.32 3ik4 s ILE 265 N -0.44 3.69 -0.43 2.22 -1.09 0.50 -0.59 121.20 125.07 3ik4 s ILE 265 Ca -0.01 -0.54 -0.28 0.00 -2.23 0.00 0.00 60.65 57.58 3ik4 s ILE 265 Cb -0.04 -2.78 0.03 0.00 -1.58 0.00 0.00 42.46 38.09 3ik4 s ILE 265 CO -0.00 0.28 1.09 0.21 -1.23 0.00 0.00 174.94 175.29 3ik4 s ASN 266 N 1.50 6.70 -0.15 3.58 3.84 -0.23 -0.25 114.94 129.92 3ik4 s ASN 266 Ca 0.04 0.59 -0.21 0.00 0.21 0.00 0.00 52.86 53.50 3ik4 s ASN 266 Cb -0.15 -2.53 -0.03 0.00 -0.55 0.00 0.00 41.25 37.98 3ik4 s ASN 266 CO -0.00 -1.12 0.60 -0.63 -2.79 0.00 0.00 177.10 173.16 3ik4 s ILE 267 N 4.13 5.07 -0.27 -5.21 1.09 0.10 -4.72 121.20 121.40 3ik4 s ILE 267 Ca 0.46 1.17 -0.01 0.00 -1.10 0.00 0.00 60.65 61.17 3ik4 s ILE 267 Cb -0.09 -3.93 0.08 0.00 -1.06 0.00 0.00 42.46 37.46 3ik4 s ILE 267 CO 0.26 0.19 0.05 -0.54 -0.10 0.00 0.00 174.94 174.80 3ik4 s LYS 268 N 1.36 0.95 0.54 2.79 1.02 -1.26 -1.27 119.74 123.87 3ik4 s LYS 268 Ca 0.30 -0.96 0.23 0.00 0.02 0.00 0.00 55.97 55.56 3ik4 s LYS 268 Cb -0.16 -2.24 1.48 0.00 -0.52 0.00 0.00 37.83 36.39 3ik4 s LYS 268 CO 0.12 -0.82 2.15 -0.07 -0.92 0.00 0.00 175.35 175.82 3ik4 h LEU 269 N 8.06 0.00 -1.69 3.17 3.38 -1.84 -0.75 115.31 125.64 3ik4 h LEU 269 Ca -0.14 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.79 3ik4 h LEU 269 Cb 1.05 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.80 3ik4 h LEU 269 CO 0.43 0.05 -0.16 -0.03 0.09 0.00 0.00 178.44 178.82 3ik4 h MET 270 N 0.00 0.00 0.00 1.13 4.05 -1.88 0.18 114.93 118.41 3ik4 h MET 270 Ca -0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 3ik4 h MET 270 Cb 0.11 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.91 3ik4 h MET 270 CO 0.01 0.16 -1.05 1.63 0.23 0.00 0.00 176.91 177.88 3ik4 n LYS 271 N -4.34 0.15 0.00 0.39 4.76 -0.30 -3.01 118.16 115.81 3ik4 n LYS 271 Ca -0.03 -0.02 0.00 0.00 -2.87 0.00 0.00 58.31 55.39 3ik4 n LYS 271 Cb 0.23 -1.52 0.00 0.00 -1.84 0.00 0.00 35.03 31.89 3ik4 n LYS 271 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3ik4 n ALA 272 N -1.67 1.98 0.00 7.82 0.00 -1.16 -4.89 120.51 122.60 3ik4 n ALA 272 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 3ik4 n ALA 272 Cb 0.38 0.41 0.00 0.00 0.00 0.00 0.00 19.45 20.25 3ik4 n ALA 272 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ik4 n GLY 273 N 3.24 2.26 0.07 0.00 0.00 0.63 -4.66 105.19 106.72 3ik4 n GLY 273 Ca 0.00 -2.05 -0.12 0.00 0.00 0.00 0.00 46.02 43.86 3ik4 n GLY 273 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3ik4 h VAL 274 N 0.00 1.49 -0.14 1.61 2.07 -1.87 -2.14 116.25 117.28 3ik4 h VAL 274 Ca 0.00 -2.06 -0.07 0.00 0.82 0.00 0.00 66.70 65.39 3ik4 h VAL 274 Cb 0.00 2.79 -0.01 0.00 -1.52 0.00 0.00 31.29 32.55 3ik4 h VAL 274 CO 0.00 0.50 -0.22 0.00 0.02 0.00 0.00 177.57 177.87 3ik4 h ALA 275 N -0.13 1.39 -0.16 1.67 0.00 -1.97 -0.95 119.26 119.12 3ik4 h ALA 275 Ca -0.00 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.60 3ik4 h ALA 275 Cb 0.82 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 3ik4 h ALA 275 CO 0.00 0.43 -0.06 1.49 0.00 0.00 0.00 179.25 181.11 3ik4 h GLU 276 N 0.22 0.32 -0.88 0.00 4.57 -1.83 -2.87 114.58 114.11 3ik4 h GLU 276 Ca 0.04 -0.13 0.11 0.00 -1.18 0.00 0.00 59.36 58.20 3ik4 h GLU 276 Cb 0.51 -0.01 -0.07 0.00 -0.16 0.00 0.00 28.75 29.02 3ik4 h GLU 276 CO 0.03 0.62 0.57 0.78 -1.18 0.00 0.00 179.01 179.83 3ik4 h GLY 277 N 0.01 1.23 0.95 1.92 0.00 -0.94 -1.61 103.07 104.63 3ik4 h GLY 277 Ca 0.04 -0.34 -0.01 0.00 0.00 0.00 0.00 47.33 47.02 3ik4 h GLY 277 CO 0.02 0.16 0.19 1.41 0.00 0.00 0.00 176.54 178.32 3ik4 h LEU 278 N 0.80 0.52 -0.44 3.11 3.38 -1.08 -1.26 115.31 120.33 3ik4 h LEU 278 Ca 0.42 -0.13 -0.07 0.00 0.09 0.00 0.00 57.88 58.19 3ik4 h LEU 278 Cb 0.52 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 3ik4 h LEU 278 CO -0.18 0.51 -0.00 0.11 0.09 0.00 0.00 178.44 178.96 3ik4 h LYS 279 N 0.51 0.79 -0.69 1.13 1.57 -1.26 -2.19 116.57 116.42 3ik4 h LYS 279 Ca 0.14 -0.25 0.09 0.00 -1.87 0.00 0.00 60.65 58.76 3ik4 h LYS 279 Cb 0.12 -0.07 -0.07 0.00 0.08 0.00 0.00 32.23 32.29 3ik4 h LYS 279 CO -0.02 0.85 0.33 0.52 -0.57 0.00 0.00 179.45 180.56 3ik4 h MET 280 N 0.63 0.54 -0.40 3.15 2.86 -1.17 -1.88 114.93 118.67 3ik4 h MET 280 Ca 0.13 -0.03 0.02 0.00 -2.06 0.00 0.00 59.70 57.75 3ik4 h MET 280 Cb 0.50 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 32.01 3ik4 h MET 280 CO 0.02 0.36 0.24 0.82 1.06 0.00 0.00 176.91 179.41 3ik4 h ILE 281 N 0.56 1.04 -0.65 -1.22 2.04 -1.02 -2.44 117.51 115.82 3ik4 h ILE 281 Ca 0.34 -0.16 -0.03 0.00 1.00 0.00 0.00 64.86 66.01 3ik4 h ILE 281 Cb 0.37 0.52 -0.03 0.00 -0.74 0.00 0.00 36.82 36.94 3ik4 h ILE 281 CO -0.28 0.09 0.29 0.00 0.00 0.00 0.00 178.15 178.25 3ik4 h ALA 282 N 1.18 0.84 -0.37 1.87 0.00 -0.80 -2.15 119.26 119.82 3ik4 h ALA 282 Ca 0.16 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 3ik4 h ALA 282 Cb 0.01 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 3ik4 h ALA 282 CO -0.07 0.43 0.00 0.82 0.00 0.00 0.00 179.25 180.43 3ik4 h ILE 283 N 0.90 1.26 -0.15 0.00 2.04 -1.34 -2.44 117.51 117.78 3ik4 h ILE 283 Ca 0.22 -0.98 -0.00 0.00 1.00 0.00 0.00 64.86 65.09 3ik4 h ILE 283 Cb 0.16 1.16 -0.01 0.00 -0.74 0.00 0.00 36.82 37.40 3ik4 h ILE 283 CO -0.02 0.33 0.09 0.00 0.00 0.00 0.00 178.15 178.55 3ik4 h ALA 284 N 0.87 0.19 -0.82 1.87 0.00 -1.31 0.12 119.26 120.19 3ik4 h ALA 284 Ca 0.11 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 3ik4 h ALA 284 Cb 0.46 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 3ik4 h ALA 284 CO 0.02 -0.29 0.35 1.96 0.00 0.00 0.00 179.25 181.29 3ik4 h GLN 285 N 0.17 1.21 -0.70 0.00 4.20 -1.40 0.34 115.11 118.93 3ik4 h GLN 285 Ca 0.05 -0.21 -0.04 0.00 0.06 0.00 0.00 58.65 58.52 3ik4 h GLN 285 Cb 0.03 -0.20 -0.03 0.00 0.30 0.00 0.00 27.48 27.58 3ik4 h GLN 285 CO -0.01 0.96 0.28 0.00 -0.67 0.00 0.00 178.83 179.39 3ik4 h ALA 286 N 1.19 1.17 -0.08 3.87 0.00 -1.14 -2.84 119.26 121.43 3ik4 h ALA 286 Ca 0.28 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3ik4 h ALA 286 Cb 0.19 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3ik4 h ALA 286 CO -0.03 0.60 0.00 0.00 0.00 0.00 0.00 179.25 179.82 3ik4 n ALA 287 N -2.44 2.54 -1.23 0.00 0.00 0.00 -4.93 120.51 114.46 3ik4 n ALA 287 Ca 0.06 -0.51 -0.08 0.00 0.00 0.00 0.00 53.44 52.92 3ik4 n ALA 287 Cb 0.18 -1.11 -0.03 0.00 0.00 0.00 0.00 19.45 18.49 3ik4 n ALA 287 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ik4 n GLY 288 N 1.18 0.98 3.75 0.00 0.00 -0.42 -5.01 105.19 105.68 3ik4 n GLY 288 Ca 0.18 -0.67 -0.40 0.00 0.00 0.00 0.00 46.02 45.13 3ik4 n GLY 288 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ik4 s LEU 289 N -1.79 4.58 0.78 0.99 1.43 0.11 -4.99 118.68 119.79 3ik4 s LEU 289 Ca 0.00 2.14 -0.11 0.00 -1.03 0.00 0.00 54.13 55.13 3ik4 s LEU 289 Cb 0.00 -3.62 0.06 0.00 0.03 0.00 0.00 46.19 42.66 3ik4 s LEU 289 CO 0.00 -0.05 1.08 -0.83 0.23 0.00 0.00 176.35 176.79 3ik4 s GLY 290 N -0.89 1.65 -0.06 -3.19 0.00 0.41 -4.27 107.32 100.98 3ik4 s GLY 290 Ca 0.44 0.07 0.04 0.00 0.00 0.00 0.00 44.72 45.27 3ik4 s GLY 290 CO 0.37 0.45 -0.18 1.08 0.00 0.00 0.00 173.10 174.82 3ik4 s LEU 291 N -5.86 1.90 -0.02 0.66 1.43 -1.26 -0.37 118.68 115.16 3ik4 s LEU 291 Ca 0.61 -0.40 0.07 0.00 -1.03 0.00 0.00 54.13 53.38 3ik4 s LEU 291 Cb -0.16 -1.07 -0.02 0.00 0.03 0.00 0.00 46.19 44.98 3ik4 s LEU 291 CO 0.56 0.14 -0.23 -0.32 0.23 0.00 0.00 176.35 176.72 3ik4 s MET 292 N 0.21 1.93 -0.13 1.70 -2.45 0.65 -1.66 119.30 119.55 3ik4 s MET 292 Ca -0.09 -0.83 -0.00 0.00 -1.25 0.00 0.00 55.69 53.52 3ik4 s MET 292 Cb -0.14 -1.84 -0.01 0.00 1.25 0.00 0.00 34.83 34.09 3ik4 s MET 292 CO 0.04 0.48 -0.13 -1.50 1.05 0.00 0.00 175.02 174.97 3ik4 s ILE 293 N -0.50 3.07 0.00 10.11 1.10 -0.28 0.00 121.20 134.70 3ik4 s ILE 293 Ca 0.08 -0.65 0.00 0.00 -0.51 0.00 0.00 60.65 59.56 3ik4 s ILE 293 Cb -0.09 -2.29 0.00 0.00 0.15 0.00 0.00 42.46 40.22 3ik4 s ILE 293 CO -0.00 0.52 0.00 0.61 -2.11 0.00 0.00 174.94 173.96 3ik4 n GLY 294 N 3.58 4.68 0.00 1.50 0.00 -0.39 -0.67 105.19 113.88 3ik4 n GLY 294 Ca -0.18 -1.08 0.00 0.00 0.00 0.00 0.00 46.02 44.76 3ik4 n GLY 294 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ik4 n GLY 295 N 0.00 0.91 0.00 -0.02 0.00 -1.26 -4.49 105.19 100.32 3ik4 n GLY 295 Ca 0.00 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.20 3ik4 n GLY 295 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3ik4 n MET 296 N 0.00 3.55 -2.87 1.61 2.81 -1.26 -4.99 117.12 115.97 3ik4 n MET 296 Ca 0.00 0.00 -0.43 0.00 -1.81 0.00 0.00 57.70 55.46 3ik4 n MET 296 Cb 0.00 0.00 -0.04 0.00 -0.71 0.00 0.00 33.22 32.47 3ik4 n MET 296 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 3ik4 s VAL 297 N 2.79 4.41 0.08 2.03 1.01 -1.26 -4.89 120.40 124.56 3ik4 s VAL 297 Ca 0.00 -0.65 0.05 0.00 0.00 0.00 0.00 61.98 61.38 3ik4 s VAL 297 Cb 0.00 -4.71 -0.03 0.00 0.00 0.00 0.00 36.38 31.64 3ik4 s VAL 297 CO 0.00 -1.48 -0.14 -1.61 0.00 0.00 0.00 175.10 171.87 3ik4 s GLU 298 N 3.76 0.84 0.00 2.72 2.02 -1.26 -4.88 118.70 121.90 3ik4 s GLU 298 Ca 0.25 -0.99 0.00 0.00 0.02 0.00 0.00 54.97 54.25 3ik4 s GLU 298 Cb -0.14 -0.83 0.00 0.00 0.10 0.00 0.00 34.13 33.26 3ik4 s GLU 298 CO 0.05 0.18 0.00 0.45 0.02 0.00 0.00 175.26 175.96 3ik4 n SER 299 N 1.19 -0.19 0.12 -0.19 2.88 -1.26 -3.59 113.62 112.59 3ik4 n SER 299 Ca -0.21 -0.90 0.12 0.00 -1.33 0.00 0.00 58.87 56.55 3ik4 n SER 299 Cb 0.54 0.00 0.47 0.00 -0.75 0.00 0.00 64.21 64.47 3ik4 n SER 299 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3ik4 n ILE 300 N -2.09 0.76 0.09 2.46 3.06 -1.26 -2.70 119.36 119.69 3ik4 n ILE 300 Ca 0.00 0.10 -0.13 0.00 -2.50 0.00 0.00 62.75 60.22 3ik4 n ILE 300 Cb 0.00 -1.01 -0.08 0.00 0.54 0.00 0.00 39.64 39.09 3ik4 n ILE 300 CO 0.00 0.00 0.00 0.25 -2.50 0.00 0.00 176.55 174.30 3ik4 h LEU 301 N 0.00 -0.21 -0.39 9.51 5.85 -1.99 -0.34 115.31 127.74 3ik4 h LEU 301 Ca 0.00 -0.23 -0.17 0.00 0.84 0.00 0.00 57.88 58.31 3ik4 h LEU 301 Cb 0.46 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.52 3ik4 h LEU 301 CO 0.00 0.14 -0.80 0.00 -0.34 0.00 0.00 178.44 177.43 3ik4 h ALA 302 N 0.16 0.65 0.02 1.25 0.00 -1.93 -3.09 119.26 116.32 3ik4 h ALA 302 Ca -0.02 -0.71 -0.21 0.00 0.00 0.00 0.00 54.91 53.97 3ik4 h ALA 302 Cb 0.43 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 3ik4 h ALA 302 CO 0.04 0.94 -0.96 0.52 0.00 0.00 0.00 179.25 179.79 3ik4 h MET 303 N 0.05 0.11 -0.12 0.00 2.86 -1.55 -2.55 114.93 113.73 3ik4 h MET 303 Ca -0.02 -0.15 -0.17 0.00 -2.06 0.00 0.00 59.70 57.30 3ik4 h MET 303 Cb 1.41 0.05 -0.00 0.00 0.06 0.00 0.00 31.60 33.11 3ik4 h MET 303 CO 0.11 0.98 -0.66 0.77 1.06 0.00 0.00 176.91 179.17 3ik4 h SER 304 N 0.05 0.53 -0.27 1.22 0.02 -1.13 -1.40 113.55 112.57 3ik4 h SER 304 Ca -0.04 -0.32 0.02 0.00 -0.84 0.00 0.00 61.79 60.61 3ik4 h SER 304 Cb 1.64 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 64.00 3ik4 h SER 304 CO 0.14 1.05 0.11 0.15 -1.14 0.00 0.00 176.83 177.14 3ik4 h PHE 305 N 0.33 0.21 -0.40 3.45 3.04 -1.49 0.35 116.94 122.43 3ik4 h PHE 305 Ca -0.02 0.01 -0.01 0.00 3.98 0.00 0.00 57.97 61.94 3ik4 h PHE 305 Cb 1.22 -0.05 -0.02 0.00 2.56 0.00 0.00 35.95 39.66 3ik4 h PHE 305 CO 0.04 0.11 0.21 0.77 -2.02 0.00 0.00 178.31 177.42 3ik4 h SER 306 N 0.25 0.50 -0.92 0.41 0.02 -1.37 -1.82 113.55 110.62 3ik4 h SER 306 Ca 0.12 -0.10 0.04 0.00 -0.84 0.00 0.00 61.79 61.01 3ik4 h SER 306 Cb 0.06 -0.13 -0.05 0.00 0.14 0.00 0.00 62.40 62.42 3ik4 h SER 306 CO -0.10 0.45 0.60 0.00 -1.14 0.00 0.00 176.83 176.64 3ik4 h ALA 307 N 1.07 1.44 -0.61 3.77 0.00 -1.01 0.43 119.26 124.34 3ik4 h ALA 307 Ca 0.14 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 3ik4 h ALA 307 Cb 0.07 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 3ik4 h ALA 307 CO -0.02 0.46 0.29 -0.91 0.00 0.00 0.00 179.25 179.08 3ik4 h ASN 308 N 1.13 0.79 -0.09 0.00 2.35 -0.60 -1.43 115.58 117.73 3ik4 h ASN 308 Ca 0.37 -0.13 -0.02 0.00 -0.55 0.00 0.00 56.30 55.97 3ik4 h ASN 308 Cb 0.06 -0.20 -0.00 0.00 0.05 0.00 0.00 38.32 38.22 3ik4 h ASN 308 CO -0.12 0.70 -0.02 0.25 -1.65 0.00 0.00 177.43 176.59 3ik4 h LEU 309 N 0.83 0.16 -0.26 1.61 5.85 -0.79 -0.47 115.31 122.23 3ik4 h LEU 309 Ca 0.21 -0.36 -0.16 0.00 0.84 0.00 0.00 57.88 58.41 3ik4 h LEU 309 Cb 0.12 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.10 3ik4 h LEU 309 CO -0.03 0.48 -0.48 0.00 -0.34 0.00 0.00 178.44 178.08 3ik4 h ALA 310 N 0.69 0.41 -0.17 1.25 0.00 -0.91 0.22 119.26 120.75 3ik4 h ALA 310 Ca 0.02 -0.49 -0.12 0.00 0.00 0.00 0.00 54.91 54.33 3ik4 h ALA 310 Cb 0.41 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3ik4 h ALA 310 CO 0.01 0.58 -0.35 0.00 0.00 0.00 0.00 179.25 179.49 3ik4 h ALA 311 N 0.66 0.27 -0.17 0.00 0.00 -1.36 -0.59 119.26 118.06 3ik4 h ALA 311 Ca 0.02 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.48 3ik4 h ALA 311 Cb 1.08 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 3ik4 h ALA 311 CO 0.11 0.33 0.06 0.78 0.00 0.00 0.00 179.25 180.52 3ik4 h GLY 312 N 0.18 0.29 1.09 0.00 0.00 -1.06 -0.96 103.07 102.62 3ik4 h GLY 312 Ca 0.00 -0.17 -0.12 0.00 0.00 0.00 0.00 47.33 47.05 3ik4 h GLY 312 CO 0.08 0.16 -0.14 -0.57 0.00 0.00 0.00 176.54 176.06 3ik4 h ASN 313 N 0.11 1.02 -4.08 0.19 -0.73 -0.57 -1.56 115.58 109.96 3ik4 h ASN 313 Ca 0.06 -0.37 0.00 0.00 1.87 0.00 0.00 56.30 57.86 3ik4 h ASN 313 Cb 0.22 -0.28 0.00 0.00 0.27 0.00 0.00 38.32 38.53 3ik4 h ASN 313 CO -0.00 1.15 0.00 0.61 -0.37 0.00 0.00 177.43 178.82 3ik4 n GLY 314 N -0.21 -1.41 2.20 1.57 0.00 -0.23 -4.79 105.19 102.32 3ik4 n GLY 314 Ca 0.01 -1.56 -0.03 0.00 0.00 0.00 0.00 46.02 44.44 3ik4 n GLY 314 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ik4 n GLY 315 N -1.53 0.61 3.65 -0.02 0.00 -1.26 -4.94 105.19 101.70 3ik4 n GLY 315 Ca 0.00 -0.45 -0.38 0.00 0.00 0.00 0.00 46.02 45.19 3ik4 n GLY 315 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3ik4 s PHE 316 N -2.00 3.32 -0.38 1.61 0.08 -1.26 -4.33 117.98 115.03 3ik4 s PHE 316 Ca 0.00 0.42 0.22 0.00 0.12 0.00 0.00 56.93 57.70 3ik4 s PHE 316 Cb 0.00 -2.44 -0.08 0.00 -0.57 0.00 0.00 43.02 39.93 3ik4 s PHE 316 CO 0.00 -0.03 0.88 -0.25 -0.10 0.00 0.00 175.22 175.72 3ik4 n ASP 317 N 4.60 0.52 -3.92 1.36 8.00 -0.66 -4.87 116.55 121.58 3ik4 n ASP 317 Ca -0.11 -0.05 -0.28 0.00 0.71 0.00 0.00 54.79 55.06 3ik4 n ASP 317 Cb 0.51 1.03 -0.17 0.00 -0.02 0.00 0.00 41.12 42.48 3ik4 n ASP 317 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3ik4 s PHE 318 N -3.32 1.73 -0.24 1.24 0.08 -0.95 -5.05 117.98 111.48 3ik4 s PHE 318 Ca -0.00 -1.00 -0.02 0.00 0.12 0.00 0.00 56.93 56.02 3ik4 s PHE 318 Cb 0.13 -1.34 0.01 0.00 -0.57 0.00 0.00 43.02 41.25 3ik4 s PHE 318 CO 0.83 -0.59 -0.06 0.42 -0.10 0.00 0.00 175.22 175.72 3ik4 s ILE 319 N 1.63 3.04 -0.58 0.64 -1.09 -1.26 -1.12 121.20 122.45 3ik4 s ILE 319 Ca 0.03 -0.82 0.06 0.00 -2.23 0.00 0.00 60.65 57.69 3ik4 s ILE 319 Cb -0.14 -2.47 0.28 0.00 -1.58 0.00 0.00 42.46 38.54 3ik4 s ILE 319 CO -0.08 0.29 0.76 -0.67 -1.23 0.00 0.00 174.94 174.01 3ik4 n ASP 320 N 4.72 3.33 -3.57 3.58 4.64 0.16 -1.21 116.55 128.19 3ik4 n ASP 320 Ca -0.17 -3.38 -0.27 0.00 -1.38 0.00 0.00 54.79 49.58 3ik4 n ASP 320 Cb 0.49 -0.64 -0.09 0.00 -1.04 0.00 0.00 41.12 39.83 3ik4 n ASP 320 CO 0.00 0.00 0.00 0.18 -0.82 0.00 0.00 177.20 176.56 3ik4 n LEU 321 N 0.64 2.97 0.00 -2.67 4.77 -1.26 -4.27 117.00 117.18 3ik4 n LEU 321 Ca 0.29 -5.24 0.00 0.00 -0.03 0.00 0.00 56.01 51.03 3ik4 n LEU 321 Cb 0.43 -0.53 0.00 0.00 -2.33 0.00 0.00 43.42 41.00 3ik4 n LEU 321 CO 0.35 1.94 0.11 -0.90 -1.33 0.00 0.00 177.39 177.56 3ik4 n ASP 322 N 1.40 0.44 0.06 -1.43 3.85 -1.26 -4.80 116.55 114.81 3ik4 n ASP 322 Ca 0.26 -0.72 0.10 0.00 -0.71 0.00 0.00 54.79 53.72 3ik4 n ASP 322 Cb 0.40 0.50 0.55 0.00 -1.35 0.00 0.00 41.12 41.23 3ik4 n ASP 322 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.20 176.90 3ik4 h THR 323 N 0.03 0.97 0.00 2.12 1.35 -1.89 -0.26 112.91 115.23 3ik4 h THR 323 Ca 0.00 -0.09 0.00 0.00 -0.55 0.00 0.00 66.41 65.77 3ik4 h THR 323 Cb 0.01 0.68 0.00 0.00 -1.73 0.00 0.00 68.15 67.12 3ik4 h THR 323 CO 0.00 0.05 0.00 -0.65 -0.25 0.00 0.00 175.52 174.67 3ik4 h PRO 324 N 0.26 0.00 0.00 4.72 0.11 -1.84 -2.16 132.00 133.09 3ik4 h PRO 324 Ca 0.15 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 66.16 3ik4 h PRO 324 Cb 0.26 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.36 3ik4 h PRO 324 CO -0.03 0.00 -0.47 -0.07 -0.21 0.00 0.00 178.00 177.22 3ik4 h LEU 325 N 0.00 0.00 -3.96 2.35 3.38 -1.40 -3.03 115.31 112.65 3ik4 h LEU 325 Ca 0.00 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.39 3ik4 h LEU 325 Cb 0.01 0.00 -0.29 0.00 0.09 0.00 0.00 40.66 40.47 3ik4 h LEU 325 CO 0.00 0.47 0.74 0.49 0.09 0.00 0.00 178.44 180.23 3ik4 n PHE 326 N -3.58 3.07 -4.22 1.13 3.01 -0.82 -4.91 117.46 111.14 3ik4 n PHE 326 Ca -0.00 -2.32 -0.26 0.00 1.01 0.00 0.00 57.45 55.87 3ik4 n PHE 326 Cb 0.57 -1.15 -0.17 0.00 -0.01 0.00 0.00 39.48 38.72 3ik4 n PHE 326 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 3ik4 s ILE 327 N -3.87 1.10 -0.06 4.37 1.01 -1.15 -3.61 121.20 119.00 3ik4 s ILE 327 Ca 0.59 -0.39 -0.03 0.00 0.00 0.00 0.00 60.65 60.82 3ik4 s ILE 327 Cb 0.48 -1.06 -0.01 0.00 0.01 0.00 0.00 42.46 41.88 3ik4 s ILE 327 CO 0.06 0.37 -0.05 0.00 0.00 0.00 0.00 174.94 175.31 3ik4 h ALA 328 N 7.61 0.00 -3.13 9.38 0.00 -1.22 -3.47 119.26 128.43 3ik4 h ALA 328 Ca -0.31 -0.21 -0.66 0.00 0.00 0.00 0.00 54.91 53.72 3ik4 h ALA 328 Cb 1.16 0.14 -0.30 0.00 0.00 0.00 0.00 17.79 18.79 3ik4 h ALA 328 CO 0.45 0.14 -0.79 -1.21 0.00 0.00 0.00 179.25 177.84 3ik4 s GLU 329 N -1.47 3.22 -0.06 0.00 0.41 -1.25 -5.03 118.70 114.52 3ik4 s GLU 329 Ca -0.04 -0.73 -0.05 0.00 -0.41 0.00 0.00 54.97 53.74 3ik4 s GLU 329 Cb 0.01 -2.71 0.02 0.00 -1.78 0.00 0.00 34.13 29.67 3ik4 s GLU 329 CO 0.06 -0.06 0.15 -3.38 -0.49 0.00 0.00 175.26 171.54 3ik4 s HIS 330 N 1.03 -0.17 -1.03 1.61 -3.43 -1.26 -4.20 115.29 107.85 3ik4 s HIS 330 Ca -0.01 0.43 0.00 0.00 -0.80 0.00 0.00 55.06 54.68 3ik4 s HIS 330 Cb -0.15 0.03 0.00 0.00 -1.43 0.00 0.00 32.58 31.03 3ik4 s HIS 330 CO -0.03 -0.10 0.52 -0.35 -2.00 0.00 0.00 174.74 172.78 3ik4 n PRO 331 N 3.30 1.02 -4.20 -0.38 -0.04 -1.26 -4.84 135.00 128.60 3ik4 n PRO 331 Ca -0.16 -0.02 -0.29 0.00 -0.04 0.00 0.00 63.50 62.99 3ik4 n PRO 331 Cb 0.57 -1.49 -0.09 0.00 -0.04 0.00 0.00 33.50 32.45 3ik4 n PRO 331 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 3ik4 s PHE 332 N -1.04 2.81 0.23 0.54 0.40 -1.26 -3.67 117.98 115.99 3ik4 s PHE 332 Ca 0.00 -0.12 0.01 0.00 -0.60 0.00 0.00 56.93 56.21 3ik4 s PHE 332 Cb 0.00 -1.45 -0.04 0.00 0.51 0.00 0.00 43.02 42.05 3ik4 s PHE 332 CO 0.00 0.46 0.14 0.96 0.70 0.00 0.00 175.22 177.47 3ik4 s ILE 333 N -1.33 0.15 0.00 0.64 -4.36 -0.85 -4.96 121.20 110.50 3ik4 s ILE 333 Ca 0.23 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.62 3ik4 s ILE 333 Cb -0.11 -2.53 0.00 0.00 1.25 0.00 0.00 42.46 41.07 3ik4 s ILE 333 CO 0.16 0.00 0.00 0.61 0.24 0.00 0.00 174.94 175.95 3ik4 n GLY 334 N -0.37 1.68 7.00 6.27 0.00 -1.26 -2.62 105.19 115.89 3ik4 n GLY 334 Ca 0.02 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.68 3ik4 n GLY 334 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ik4 n GLY 335 N 0.00 0.62 3.77 -0.02 0.00 -0.73 -4.61 105.19 104.22 3ik4 n GLY 335 Ca 0.00 -0.75 -0.38 0.00 0.00 0.00 0.00 46.02 44.89 3ik4 n GLY 335 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3ik4 s PHE 336 N 0.00 3.70 -0.61 1.61 -0.12 -1.26 -4.88 117.98 116.43 3ik4 s PHE 336 Ca 0.00 1.79 -0.22 0.00 -0.05 0.00 0.00 56.93 58.46 3ik4 s PHE 336 Cb 0.00 -2.97 0.07 0.00 -0.63 0.00 0.00 43.02 39.49 3ik4 s PHE 336 CO 0.00 0.15 0.86 0.00 -0.05 0.00 0.00 175.22 176.18 3ik4 s ALA 337 N -1.52 3.22 -0.26 1.99 0.00 -0.07 -4.88 121.76 120.24 3ik4 s ALA 337 Ca 0.49 -1.80 -0.19 0.00 0.00 0.00 0.00 51.96 50.46 3ik4 s ALA 337 Cb -0.21 -3.70 -0.03 0.00 0.00 0.00 0.00 23.12 19.18 3ik4 s ALA 337 CO 0.26 -2.52 0.55 -1.14 0.00 0.00 0.00 175.76 172.91 3ik4 s GLN 338 N 3.58 4.09 -0.21 0.00 0.74 -1.26 -1.42 119.66 125.18 3ik4 s GLN 338 Ca 0.20 0.39 0.00 0.00 0.05 0.00 0.00 55.36 56.00 3ik4 s GLN 338 Cb -0.18 -3.65 0.05 0.00 1.10 0.00 0.00 33.01 30.34 3ik4 s GLN 338 CO 0.11 -0.36 -0.05 0.95 -0.55 0.00 0.00 175.29 175.39 3ik4 s THR 339 N 2.32 1.33 0.00 -0.34 -4.23 -0.71 -5.02 115.64 109.00 3ik4 s THR 339 Ca 0.23 -0.97 0.00 0.00 -1.18 0.00 0.00 61.69 59.76 3ik4 s THR 339 Cb -0.16 -1.58 0.00 0.00 1.34 0.00 0.00 72.50 72.11 3ik4 s THR 339 CO 0.09 -0.02 0.00 0.61 -0.54 0.00 0.00 174.62 174.76 3ik4 n GLY 340 N 4.76 0.67 0.11 3.99 0.00 -1.26 -2.82 105.19 110.65 3ik4 n GLY 340 Ca -0.12 -0.65 0.11 0.00 0.00 0.00 0.00 46.02 45.35 3ik4 n GLY 340 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ik4 n GLY 341 N 0.00 -0.82 3.66 -0.02 0.00 -1.26 -4.58 105.19 102.17 3ik4 n GLY 341 Ca 0.00 -0.56 -0.43 0.00 0.00 0.00 0.00 46.02 45.03 3ik4 n GLY 341 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ik4 s THR 342 N -2.87 4.32 -0.43 2.61 2.01 -1.13 -0.72 115.64 119.43 3ik4 s THR 342 Ca 0.11 1.59 -0.13 0.00 0.31 0.00 0.00 61.69 63.57 3ik4 s THR 342 Cb 0.17 -4.05 0.06 0.00 0.01 0.00 0.00 72.50 68.69 3ik4 s THR 342 CO 0.77 -0.16 0.32 -0.76 -0.69 0.00 0.00 174.62 174.10 3ik4 s LEU 343 N 3.52 5.29 -0.29 4.42 1.43 0.39 -1.74 118.68 131.70 3ik4 s LEU 343 Ca 0.53 -1.23 -0.14 0.00 -1.03 0.00 0.00 54.13 52.26 3ik4 s LEU 343 Cb -0.21 -2.11 -0.03 0.00 0.03 0.00 0.00 46.19 43.87 3ik4 s LEU 343 CO 0.14 -0.55 0.35 -1.58 0.23 0.00 0.00 176.35 174.94 3ik4 s GLN 344 N 1.59 3.88 0.37 1.70 2.00 -0.51 -2.02 119.66 126.67 3ik4 s GLN 344 Ca 0.04 -0.13 0.01 0.00 -2.00 0.00 0.00 55.36 53.28 3ik4 s GLN 344 Cb -0.22 -3.70 -0.02 0.00 0.80 0.00 0.00 33.01 29.87 3ik4 s GLN 344 CO 0.06 -0.34 0.57 -0.51 -0.50 0.00 0.00 175.29 174.57 3ik4 s LEU 345 N 2.02 3.92 0.26 3.68 1.02 0.66 -0.89 118.68 129.36 3ik4 s LEU 345 Ca 0.13 0.33 0.02 0.00 0.02 0.00 0.00 54.13 54.63 3ik4 s LEU 345 Cb -0.16 -3.20 -0.04 0.00 0.02 0.00 0.00 46.19 42.81 3ik4 s LEU 345 CO 0.11 -0.41 0.16 0.00 0.02 0.00 0.00 176.35 176.23 3ik4 s ALA 346 N -2.35 1.62 -1.27 4.21 0.00 -1.26 -4.88 121.76 117.83 3ik4 s ALA 346 Ca 0.42 -1.80 -0.14 0.00 0.00 0.00 0.00 51.96 50.45 3ik4 s ALA 346 Cb -0.10 1.28 0.13 0.00 0.00 0.00 0.00 23.12 24.43 3ik4 s ALA 346 CO 0.36 -0.56 1.69 -0.25 0.00 0.00 0.00 175.76 177.00 3ik4 n ASP 347 N -0.72 4.98 -4.05 0.00 10.43 -1.26 -4.90 116.55 121.03 3ik4 n ASP 347 Ca 0.02 -2.98 -0.19 0.00 2.57 0.00 0.00 54.79 54.21 3ik4 n ASP 347 Cb 0.65 -1.60 -0.14 0.00 1.84 0.00 0.00 41.12 41.87 3ik4 n ASP 347 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 3ik4 s VAL 348 N 2.10 0.81 0.35 2.53 1.01 -1.26 -5.03 120.40 120.91 3ik4 s VAL 348 Ca 0.45 -0.55 -0.27 0.00 0.00 0.00 0.00 61.98 61.61 3ik4 s VAL 348 Cb 0.03 -0.70 -0.12 0.00 0.00 0.00 0.00 36.38 35.60 3ik4 s VAL 348 CO 0.01 0.14 1.20 0.00 0.00 0.00 0.00 175.10 176.45 3ik4 n ALA 349 N 2.60 0.87 -0.51 5.51 0.00 -1.26 -4.02 120.51 123.69 3ik4 n ALA 349 Ca -0.15 0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.63 3ik4 n ALA 349 Cb 0.56 -2.19 0.00 0.00 0.00 0.00 0.00 19.45 17.82 3ik4 n ALA 349 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ik4 n GLY 350 N 0.91 0.15 0.17 0.00 0.00 -0.24 -3.78 105.19 102.40 3ik4 n GLY 350 Ca 0.06 -0.92 0.12 0.00 0.00 0.00 0.00 46.02 45.29 3ik4 n GLY 350 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 3ik4 h HIS 351 N 0.00 0.00 0.00 1.61 -0.00 -1.90 -2.65 115.15 112.21 3ik4 h HIS 351 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 3ik4 h HIS 351 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.41 3ik4 h HIS 351 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.93 178.34 3ik4 n GLY 352 N 1.16 0.43 3.64 6.13 0.00 -1.25 -4.70 105.19 110.60 3ik4 n GLY 352 Ca 0.05 -1.00 -0.34 0.00 0.00 0.00 0.00 46.02 44.73 3ik4 n GLY 352 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3ik4 s VAL 353 N -2.00 4.00 -0.05 1.61 -7.23 -1.26 -1.77 120.40 113.70 3ik4 s VAL 353 Ca 0.00 -0.49 -0.04 0.00 -1.81 0.00 0.00 61.98 59.64 3ik4 s VAL 353 Cb 0.00 -2.70 0.01 0.00 0.56 0.00 0.00 36.38 34.25 3ik4 s VAL 353 CO 0.00 0.51 0.12 0.20 -0.31 0.00 0.00 175.10 175.62 3ik4 s ASN 354 N -1.13 -0.12 0.23 4.85 0.01 -1.08 -4.97 114.94 112.74 3ik4 s ASN 354 Ca 0.15 0.24 -0.30 0.00 -0.71 0.00 0.00 52.86 52.24 3ik4 s ASN 354 Cb -0.11 0.22 -0.09 0.00 0.41 0.00 0.00 41.25 41.68 3ik4 s ASN 354 CO 0.05 -0.06 1.10 -0.76 -1.51 0.00 0.00 177.10 175.92 3ik4 s LEU 355 N 0.22 4.53 0.00 0.60 1.43 -1.26 -2.01 118.68 122.18 3ik4 s LEU 355 Ca -0.01 2.18 0.00 0.00 -1.03 0.00 0.00 54.13 55.27 3ik4 s LEU 355 Cb -0.02 -3.62 0.00 0.00 0.03 0.00 0.00 46.19 42.58 3ik4 s LEU 355 CO -0.01 -0.17 0.02 -1.84 0.23 0.00 0.00 176.35 174.58 3ik4 n GLU 356 N 1.75 1.03 0.00 1.70 0.28 -1.24 -5.01 120.64 119.16 3ik4 n GLU 356 Ca 0.01 -2.86 0.00 0.00 -0.16 0.00 0.00 57.16 54.14 3ik4 n GLU 356 Cb 0.45 0.74 0.00 0.00 1.43 0.00 0.00 31.44 34.06 3ik4 n GLU 356 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38