#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ik4 s LEU 1 N 0.00 3.63 0.49 2.46 2.34 -1.26 -4.98 118.68 121.35 3ik4 s LEU 1 Ca 0.00 -0.26 0.43 0.00 0.06 0.00 0.00 54.13 54.36 3ik4 s LEU 1 Cb 0.00 -2.23 1.47 0.00 -0.56 0.00 0.00 46.19 44.87 3ik4 s LEU 1 CO 0.00 0.05 1.34 -0.81 -1.06 0.00 0.00 176.35 175.87 3ik4 n PRO 2 N -0.49 0.00 -0.90 1.48 -0.04 -1.26 0.69 135.00 134.48 3ik4 n PRO 2 Ca -0.08 0.94 0.06 0.00 -0.04 0.00 0.00 63.50 64.37 3ik4 n PRO 2 Cb 0.56 -2.18 0.39 0.00 -0.04 0.00 0.00 33.50 32.23 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 -3.63 2.78 -2.56 0.52 -2.24 -1.26 -2.12 114.28 105.78 3ik4 n THR 3 Ca 0.38 -1.46 -0.38 0.00 -2.27 0.00 0.00 64.05 60.32 3ik4 n THR 3 Cb 1.74 -0.29 -0.05 0.00 -2.10 0.00 0.00 70.33 69.63 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 -2.81 3.72 -0.49 4.28 2.01 0.22 -0.64 115.64 121.92 3ik4 s THR 4 Ca 0.54 1.49 -0.22 0.00 0.31 0.00 0.00 61.69 63.81 3ik4 s THR 4 Cb 0.42 -3.86 0.04 0.00 0.01 0.00 0.00 72.50 69.11 3ik4 s THR 4 CO 0.15 0.18 0.78 -0.63 -0.69 0.00 0.00 174.62 174.41 3ik4 s ILE 5 N -1.45 4.65 -0.12 1.82 1.01 0.18 -1.25 121.20 126.04 3ik4 s ILE 5 Ca 0.51 0.16 0.20 0.00 0.00 0.00 0.00 60.65 61.52 3ik4 s ILE 5 Cb -0.25 -4.36 -0.23 0.00 0.01 0.00 0.00 42.46 37.62 3ik4 s ILE 5 CO 0.32 -0.83 0.53 0.00 0.00 0.00 0.00 174.94 174.96 3ik4 n GLN 6 N 6.75 0.65 -3.87 2.79 1.13 -0.98 0.77 117.38 124.62 3ik4 n GLN 6 Ca -0.00 -0.02 -0.20 0.00 -1.94 0.00 0.00 57.00 54.84 3ik4 n GLN 6 Cb 0.47 -1.62 -0.17 0.00 0.11 0.00 0.00 30.24 29.03 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 -3.13 0.47 -0.13 -1.58 0.00 -1.16 -4.87 121.76 111.36 3ik4 s ALA 7 Ca -0.06 0.05 0.01 0.00 0.00 0.00 0.00 51.96 51.95 3ik4 s ALA 7 Cb 0.10 -0.51 0.02 0.00 0.00 0.00 0.00 23.12 22.73 3ik4 s ALA 7 CO 0.85 -0.25 -0.15 0.42 0.00 0.00 0.00 175.76 176.64 3ik4 s ILE 8 N 1.47 1.58 0.01 0.00 1.01 -1.26 -0.16 121.20 123.85 3ik4 s ILE 8 Ca -0.03 -0.67 0.03 0.00 0.00 0.00 0.00 60.65 59.99 3ik4 s ILE 8 Cb -0.13 -1.46 -0.01 0.00 0.01 0.00 0.00 42.46 40.87 3ik4 s ILE 8 CO -0.03 0.46 -0.11 -0.94 0.00 0.00 0.00 174.94 174.32 3ik4 s SER 9 N 1.20 1.25 -0.04 3.58 1.04 -0.59 -5.01 113.70 115.14 3ik4 s SER 9 Ca -0.01 -0.31 0.04 0.00 0.48 0.00 0.00 55.95 56.14 3ik4 s SER 9 Cb -0.14 -0.10 0.00 0.00 0.10 0.00 0.00 66.02 65.88 3ik4 s SER 9 CO -0.06 0.05 -0.14 0.00 0.98 0.00 0.00 173.24 174.07 3ik4 s ALA 10 N -0.57 1.33 -0.00 5.32 0.00 -1.26 -0.95 121.76 125.62 3ik4 s ALA 10 Ca 0.01 -0.56 0.01 0.00 0.00 0.00 0.00 51.96 51.42 3ik4 s ALA 10 Cb -0.06 -0.47 -0.00 0.00 0.00 0.00 0.00 23.12 22.59 3ik4 s ALA 10 CO 0.00 0.22 -0.02 -1.83 0.00 0.00 0.00 175.76 174.13 3ik4 s GLU 11 N 0.18 0.19 0.26 0.00 -1.05 -0.84 -5.00 118.70 112.44 3ik4 s GLU 11 Ca -0.06 -0.09 -0.31 0.00 -0.15 0.00 0.00 54.97 54.36 3ik4 s GLU 11 Cb -0.12 -0.18 -0.12 0.00 -0.44 0.00 0.00 34.13 33.28 3ik4 s GLU 11 CO 0.02 0.05 1.65 0.00 0.95 0.00 0.00 175.26 177.93 3ik4 s ALA 12 N -0.08 3.82 -0.15 -0.84 0.00 -1.26 -0.75 121.76 122.51 3ik4 s ALA 12 Ca 0.01 1.58 0.01 0.00 0.00 0.00 0.00 51.96 53.56 3ik4 s ALA 12 Cb -0.01 -3.67 0.02 0.00 0.00 0.00 0.00 23.12 19.46 3ik4 s ALA 12 CO -0.00 -0.96 -0.17 0.96 0.00 0.00 0.00 175.76 175.59 3ik4 s ILE 13 N 0.48 1.78 -0.44 0.00 -4.36 0.33 -4.83 121.20 114.17 3ik4 s ILE 13 Ca 0.68 -0.78 -0.10 0.00 -0.26 0.00 0.00 60.65 60.19 3ik4 s ILE 13 Cb -0.49 -1.62 0.09 0.00 1.25 0.00 0.00 42.46 41.69 3ik4 s ILE 13 CO 0.41 0.49 0.30 0.20 0.24 0.00 0.00 174.94 176.59 3ik4 s ASN 14 N 1.20 5.73 -0.35 4.36 0.01 -1.26 -0.75 114.94 123.88 3ik4 s ASN 14 Ca 0.00 -1.55 -0.13 0.00 -0.71 0.00 0.00 52.86 50.47 3ik4 s ASN 14 Cb -0.14 -2.02 -0.01 0.00 0.41 0.00 0.00 41.25 39.49 3ik4 s ASN 14 CO -0.08 -0.59 0.24 -0.76 -1.51 0.00 0.00 177.10 174.40 3ik4 s LEU 15 N 1.45 4.56 0.46 0.60 1.43 -0.69 -4.90 118.68 121.59 3ik4 s LEU 15 Ca 0.04 -0.54 -0.25 0.00 -1.03 0.00 0.00 54.13 52.35 3ik4 s LEU 15 Cb -0.24 -2.12 -0.08 0.00 0.03 0.00 0.00 46.19 43.79 3ik4 s LEU 15 CO 0.02 -0.27 1.35 -2.16 0.23 0.00 0.00 176.35 175.52 3ik4 s PRO 16 N 1.69 3.67 0.30 1.29 0.04 -1.26 -0.49 135.00 140.24 3ik4 s PRO 16 Ca 0.05 2.23 0.08 0.00 0.04 0.00 0.00 61.00 63.41 3ik4 s PRO 16 Cb -0.18 -2.58 -0.04 0.00 0.04 0.00 0.00 34.50 31.74 3ik4 s PRO 16 CO 0.10 -0.77 0.11 -0.51 0.04 0.00 0.00 177.00 175.97 3ik4 s LEU 17 N -2.83 3.36 -0.16 -3.56 1.43 -0.86 -0.33 118.68 115.73 3ik4 s LEU 17 Ca 0.62 -0.62 -0.26 0.00 -1.03 0.00 0.00 54.13 52.85 3ik4 s LEU 17 Cb -0.40 -1.87 -0.23 0.00 0.03 0.00 0.00 46.19 43.73 3ik4 s LEU 17 CO 0.50 -0.16 0.55 0.71 0.23 0.00 0.00 176.35 178.19 3ik4 h THR 18 N 1.63 1.43 -2.07 5.49 1.35 -1.12 -3.43 112.91 116.20 3ik4 h THR 18 Ca -0.45 -2.24 -0.25 0.00 -0.55 0.00 0.00 66.41 62.92 3ik4 h THR 18 Cb 1.25 2.88 -0.32 0.00 -1.73 0.00 0.00 68.15 70.23 3ik4 h THR 18 CO 0.61 0.49 -0.57 -1.83 -0.25 0.00 0.00 175.52 173.97 3ik4 s GLU 19 N -2.25 0.32 0.00 4.72 -1.05 -1.26 -5.10 118.70 114.07 3ik4 s GLU 19 Ca -0.22 0.19 0.00 0.00 -0.15 0.00 0.00 54.97 54.80 3ik4 s GLU 19 Cb 0.00 -0.66 0.00 0.00 -0.44 0.00 0.00 34.13 33.03 3ik4 s GLU 19 CO 0.63 -0.83 0.00 -0.35 0.95 0.00 0.00 175.26 175.67 3ik4 n PRO 20 N 5.34 0.00 0.00 -4.83 -0.04 -1.26 -5.05 135.00 129.16 3ik4 n PRO 20 Ca -0.03 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.43 3ik4 n PRO 20 Cb 0.49 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.95 3ik4 n PRO 20 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3ik4 n ALA 29 N -3.00 1.75 -3.45 0.55 0.00 -1.26 -4.96 120.51 110.15 3ik4 n ALA 29 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.27 3ik4 n ALA 29 Cb 0.00 0.21 -0.16 0.00 0.00 0.00 0.00 19.45 19.50 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 -1.60 0.30 -0.81 0.00 1.01 -1.26 -2.02 120.40 116.01 3ik4 s VAL 30 Ca 0.00 -0.03 -0.24 0.00 0.00 0.00 0.00 61.98 61.71 3ik4 s VAL 30 Cb 0.00 -0.34 0.06 0.00 0.00 0.00 0.00 36.38 36.10 3ik4 s VAL 30 CO 0.00 0.15 1.22 0.00 0.00 0.00 0.00 175.10 176.47 3ik4 s ALA 31 N 0.68 2.91 -1.10 5.51 0.00 0.36 -4.90 121.76 125.21 3ik4 s ALA 31 Ca -0.07 -1.89 -0.22 0.00 0.00 0.00 0.00 51.96 49.78 3ik4 s ALA 31 Cb -0.11 -4.20 0.04 0.00 0.00 0.00 0.00 23.12 18.85 3ik4 s ALA 31 CO -0.01 -3.21 1.61 0.00 0.00 0.00 0.00 175.76 174.16 3ik4 s ALA 32 N 4.74 2.75 0.54 0.00 0.00 -1.26 -1.71 121.76 126.83 3ik4 s ALA 32 Ca 0.34 -2.39 0.04 0.00 0.00 0.00 0.00 51.96 49.96 3ik4 s ALA 32 Cb -0.08 -4.58 0.03 0.00 0.00 0.00 0.00 23.12 18.49 3ik4 s ALA 32 CO 0.04 -3.72 0.30 -0.80 0.00 0.00 0.00 175.76 171.58 3ik4 s ASN 33 N 5.12 4.49 -0.07 0.00 -0.87 0.07 -4.37 114.94 119.31 3ik4 s ASN 33 Ca 0.52 -1.39 0.01 0.00 -1.57 0.00 0.00 52.86 50.43 3ik4 s ASN 33 Cb 0.01 0.52 0.02 0.00 -0.02 0.00 0.00 41.25 41.78 3ik4 s ASN 33 CO -0.02 -1.07 -0.09 -0.69 -2.57 0.00 0.00 177.10 172.66 3ik4 s VAL 34 N -2.82 0.94 -0.22 1.60 1.01 -0.11 -0.51 120.40 120.30 3ik4 s VAL 34 Ca 0.25 -0.33 -0.21 0.00 0.00 0.00 0.00 61.98 61.69 3ik4 s VAL 34 Cb -0.01 -0.91 -0.02 0.00 0.00 0.00 0.00 36.38 35.43 3ik4 s VAL 34 CO 0.15 0.32 0.64 -0.22 0.00 0.00 0.00 175.10 176.00 3ik4 s LEU 35 N 1.01 4.12 -0.17 3.92 2.96 0.07 -0.54 118.68 130.04 3ik4 s LEU 35 Ca -0.09 0.81 -0.07 0.00 -0.22 0.00 0.00 54.13 54.56 3ik4 s LEU 35 Cb -0.15 -2.89 -0.04 0.00 0.50 0.00 0.00 46.19 43.61 3ik4 s LEU 35 CO -0.00 -0.31 0.07 -0.69 -1.32 0.00 0.00 176.35 174.09 3ik4 s VAL 36 N 2.13 4.85 -0.09 1.68 1.01 0.11 -1.99 120.40 128.10 3ik4 s VAL 36 Ca 0.28 -0.02 0.04 0.00 0.00 0.00 0.00 61.98 62.29 3ik4 s VAL 36 Cb -0.16 -3.17 0.00 0.00 0.00 0.00 0.00 36.38 33.05 3ik4 s VAL 36 CO 0.10 0.48 -0.23 -0.54 0.00 0.00 0.00 175.10 174.90 3ik4 s LYS 37 N 0.20 2.93 -0.07 2.72 1.02 -0.12 -0.92 119.74 125.49 3ik4 s LYS 37 Ca 0.05 -0.85 0.05 0.00 0.02 0.00 0.00 55.97 55.23 3ik4 s LYS 37 Cb -0.12 -2.23 -0.01 0.00 -0.52 0.00 0.00 37.83 34.95 3ik4 s LYS 37 CO 0.00 0.18 -0.22 0.14 -0.92 0.00 0.00 175.35 174.54 3ik4 s VAL 38 N 0.33 2.31 -0.10 3.17 -7.23 0.09 -1.53 120.40 117.43 3ik4 s VAL 38 Ca -0.18 -0.97 0.03 0.00 -1.81 0.00 0.00 61.98 59.06 3ik4 s VAL 38 Cb -0.18 -1.87 -0.00 0.00 0.56 0.00 0.00 36.38 34.89 3ik4 s VAL 38 CO 0.08 0.57 -0.21 -1.58 -0.31 0.00 0.00 175.10 173.64 3ik4 s GLN 39 N -0.13 3.08 0.40 4.82 0.74 0.78 -0.33 119.66 129.02 3ik4 s GLN 39 Ca -0.04 -0.83 -0.06 0.00 0.05 0.00 0.00 55.36 54.47 3ik4 s GLN 39 Cb -0.14 -2.37 -0.05 0.00 1.10 0.00 0.00 33.01 31.56 3ik4 s GLN 39 CO 0.04 0.21 0.71 -0.51 -0.55 0.00 0.00 175.29 175.19 3ik4 s LEU 40 N 0.28 3.82 0.39 3.68 1.02 -0.43 -2.33 118.68 125.12 3ik4 s LEU 40 Ca -0.15 0.90 0.13 0.00 0.02 0.00 0.00 54.13 55.03 3ik4 s LEU 40 Cb -0.17 -3.80 0.94 0.00 0.02 0.00 0.00 46.19 43.18 3ik4 s LEU 40 CO 0.08 -0.41 1.87 0.00 0.02 0.00 0.00 176.35 177.91 3ik4 h ALA 41 N 0.93 1.99 0.00 4.21 0.00 -1.08 0.50 119.26 125.81 3ik4 h ALA 41 Ca -0.47 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3ik4 h ALA 41 Cb 1.20 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.91 3ik4 h ALA 41 CO 0.63 -0.24 0.00 -0.40 0.00 0.00 0.00 179.25 179.24 3ik4 n ASP 42 N -4.54 0.00 0.00 0.00 5.75 -0.90 -4.88 116.55 111.98 3ik4 n ASP 42 Ca 0.17 -0.63 0.00 0.00 -0.01 0.00 0.00 54.79 54.32 3ik4 n ASP 42 Cb 0.55 -0.05 0.00 0.00 -1.03 0.00 0.00 41.12 40.58 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 0.57 0.87 3.71 6.12 0.00 0.17 -5.03 105.19 111.60 3ik4 n GLY 43 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.71 3.42 -0.12 2.61 -4.23 -1.26 -4.80 115.64 108.55 3ik4 s THR 44 Ca 0.00 0.97 -0.03 0.00 -1.18 0.00 0.00 61.69 61.45 3ik4 s THR 44 Cb 0.00 -3.62 -0.03 0.00 1.34 0.00 0.00 72.50 70.18 3ik4 s THR 44 CO 0.00 0.05 -0.00 -0.22 -0.54 0.00 0.00 174.62 173.91 3ik4 s LEU 45 N 1.51 3.50 -0.10 4.79 2.96 -1.26 -1.31 118.68 128.77 3ik4 s LEU 45 Ca 0.65 0.05 0.01 0.00 -0.22 0.00 0.00 54.13 54.62 3ik4 s LEU 45 Cb -0.35 -1.82 -0.02 0.00 0.50 0.00 0.00 46.19 44.49 3ik4 s LEU 45 CO 0.29 0.29 -0.14 -0.83 -1.32 0.00 0.00 176.35 174.64 3ik4 s GLY 46 N -0.35 1.53 -0.12 7.98 0.00 0.55 -4.63 107.32 112.27 3ik4 s GLY 46 Ca 0.07 -0.93 -0.00 0.00 0.00 0.00 0.00 44.72 43.86 3ik4 s GLY 46 CO 0.02 -0.41 -0.12 1.08 0.00 0.00 0.00 173.10 173.67 3ik4 s LEU 47 N -0.05 2.76 0.18 0.66 1.43 -1.26 -0.73 118.68 121.67 3ik4 s LEU 47 Ca -0.03 -0.30 0.06 0.00 -1.03 0.00 0.00 54.13 52.83 3ik4 s LEU 47 Cb -0.14 -1.62 -0.05 0.00 0.03 0.00 0.00 46.19 44.41 3ik4 s LEU 47 CO 0.04 0.19 -0.11 -0.83 0.23 0.00 0.00 176.35 175.87 3ik4 s GLY 48 N 0.23 1.24 -0.06 -3.19 0.00 -0.10 -4.01 107.32 101.44 3ik4 s GLY 48 Ca -0.08 -1.58 0.03 0.00 0.00 0.00 0.00 44.72 43.09 3ik4 s GLY 48 CO 0.05 -1.66 -0.14 1.85 0.00 0.00 0.00 173.10 173.20 3ik4 s GLU 49 N -3.72 1.76 -0.25 2.90 2.12 -1.26 0.10 118.70 120.34 3ik4 s GLU 49 Ca 0.20 -0.49 -0.08 0.00 0.36 0.00 0.00 54.97 54.96 3ik4 s GLU 49 Cb 0.02 -1.46 -0.03 0.00 0.26 0.00 0.00 34.13 32.91 3ik4 s GLU 49 CO 0.04 0.10 0.09 0.00 -0.54 0.00 0.00 175.26 174.95 3ik4 s ALA 50 N 0.44 3.25 -0.77 6.30 0.00 0.30 -3.69 121.76 127.59 3ik4 s ALA 50 Ca -0.11 -1.08 0.03 0.00 0.00 0.00 0.00 51.96 50.79 3ik4 s ALA 50 Cb -0.14 -2.14 0.23 0.00 0.00 0.00 0.00 23.12 21.07 3ik4 s ALA 50 CO 0.03 -0.43 0.80 0.00 0.00 0.00 0.00 175.76 176.17 3ik4 n ALA 51 N 4.81 4.03 -1.99 0.00 0.00 -1.26 -0.94 120.51 125.16 3ik4 n ALA 51 Ca -0.16 -4.69 -0.42 0.00 0.00 0.00 0.00 53.44 48.17 3ik4 n ALA 51 Cb 0.52 -1.31 -0.03 0.00 0.00 0.00 0.00 19.45 18.63 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 -2.07 4.27 -0.33 0.00 0.04 -1.26 -4.71 135.00 130.94 3ik4 s PRO 52 Ca 0.33 2.24 -0.00 0.00 0.04 0.00 0.00 61.00 63.60 3ik4 s PRO 52 Cb 0.05 -3.17 0.07 0.00 0.04 0.00 0.00 34.50 31.49 3ik4 s PRO 52 CO -0.06 -0.48 0.04 0.12 0.04 0.00 0.00 177.00 176.67 3ik4 s PHE 53 N 0.72 3.43 -1.36 0.56 2.19 -1.26 -4.78 117.98 117.49 3ik4 s PHE 53 Ca 0.64 -2.27 0.00 0.00 0.33 0.00 0.00 56.93 55.63 3ik4 s PHE 53 Cb -0.41 -2.50 0.00 0.00 -1.31 0.00 0.00 43.02 38.81 3ik4 s PHE 53 CO 0.35 -0.88 0.44 -2.30 1.83 0.00 0.00 175.22 174.66 3ik4 n PRO 54 N 4.52 0.65 -1.82 10.12 -0.02 -1.17 -4.26 135.00 143.01 3ik4 n PRO 54 Ca -0.08 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 60.98 3ik4 n PRO 54 Cb 0.42 -1.21 -0.03 0.00 -0.02 0.00 0.00 33.50 32.67 3ik4 n PRO 54 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ik4 s ALA 55 N -1.36 3.79 0.00 3.55 0.00 -1.26 -3.94 121.76 122.54 3ik4 s ALA 55 Ca 0.00 1.40 0.00 0.00 0.00 0.00 0.00 51.96 53.36 3ik4 s ALA 55 Cb 0.00 -3.70 0.00 0.00 0.00 0.00 0.00 23.12 19.42 3ik4 s ALA 55 CO 0.00 -1.02 0.00 0.28 0.00 0.00 0.00 175.76 175.02 3ik4 n VAL 56 N 4.38 0.00 -2.59 0.00 0.31 -1.26 -3.50 118.33 115.66 3ik4 n VAL 56 Ca 0.16 0.00 -0.41 0.00 -0.01 0.00 0.00 64.34 64.08 3ik4 n VAL 56 Cb 0.38 0.00 0.02 0.00 -0.91 0.00 0.00 33.84 33.33 3ik4 n VAL 56 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 3ik4 n SER 57 N 10.01 7.40 -4.93 4.52 2.88 -1.26 -4.99 113.62 127.26 3ik4 n SER 57 Ca 0.00 -3.67 -0.24 0.00 -1.33 0.00 0.00 58.87 53.63 3ik4 n SER 57 Cb 0.00 -1.17 0.00 0.00 -0.75 0.00 0.00 64.21 62.29 3ik4 n SER 57 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 3ik4 s GLY 58 N -1.27 2.19 0.32 0.46 0.00 -1.23 -5.08 107.32 102.72 3ik4 s GLY 58 Ca 0.40 -1.56 0.00 0.00 0.00 0.00 0.00 44.72 43.56 3ik4 s GLY 58 CO -0.14 -1.85 0.53 -0.54 0.00 0.00 0.00 173.10 171.10 3ik4 s GLU 59 N -4.34 3.50 0.29 2.90 2.02 -1.26 -4.86 118.70 116.95 3ik4 s GLU 59 Ca 0.42 -0.32 0.11 0.00 0.02 0.00 0.00 54.97 55.21 3ik4 s GLU 59 Cb -0.03 -2.69 -0.05 0.00 0.10 0.00 0.00 34.13 31.46 3ik4 s GLU 59 CO 0.26 0.19 -0.18 0.95 0.02 0.00 0.00 175.26 176.50 3ik4 s THR 60 N -2.24 2.41 0.21 3.63 -4.23 -1.26 -3.06 115.64 111.10 3ik4 s THR 60 Ca 0.40 -2.37 -0.09 0.00 -1.18 0.00 0.00 61.69 58.45 3ik4 s THR 60 Cb -0.10 -2.35 0.15 0.00 1.34 0.00 0.00 72.50 71.54 3ik4 s THR 60 CO 0.34 -0.37 1.82 -0.61 -0.54 0.00 0.00 174.62 175.26 3ik4 h GLN 61 N 2.24 0.74 -0.18 3.99 4.15 -1.87 -0.98 115.11 123.19 3ik4 h GLN 61 Ca -0.40 -0.04 -0.03 0.00 0.77 0.00 0.00 58.65 58.94 3ik4 h GLN 61 Cb 1.26 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 28.77 3ik4 h GLN 61 CO 0.62 0.49 -0.01 1.15 -1.93 0.00 0.00 178.83 179.14 3ik4 h THR 62 N 0.76 1.27 -0.27 2.39 2.02 -1.96 -1.47 112.91 115.65 3ik4 h THR 62 Ca 0.30 -0.91 -0.01 0.00 0.77 0.00 0.00 66.41 66.56 3ik4 h THR 62 Cb 0.15 1.51 -0.01 0.00 -1.74 0.00 0.00 68.15 68.05 3ik4 h THR 62 CO -0.16 0.27 0.11 1.23 0.37 0.00 0.00 175.52 177.34 3ik4 h GLY 63 N 0.07 0.39 0.69 2.16 0.00 -1.96 -2.82 103.07 101.60 3ik4 h GLY 63 Ca 0.05 -0.17 -0.06 0.00 0.00 0.00 0.00 47.33 47.15 3ik4 h GLY 63 CO 0.01 0.16 -0.16 -0.84 0.00 0.00 0.00 176.54 175.71 3ik4 h THR 64 N 0.37 1.38 -0.86 4.70 2.02 -0.91 -2.46 112.91 117.15 3ik4 h THR 64 Ca 0.09 -1.40 -0.03 0.00 0.77 0.00 0.00 66.41 65.85 3ik4 h THR 64 Cb 0.07 2.04 -0.04 0.00 -1.74 0.00 0.00 68.15 68.47 3ik4 h THR 64 CO -0.01 0.40 0.44 0.28 0.37 0.00 0.00 175.52 177.00 3ik4 h SER 65 N -0.12 1.11 -0.20 4.18 0.02 -1.26 -2.05 113.55 115.22 3ik4 h SER 65 Ca 0.01 -0.12 -0.08 0.00 -0.84 0.00 0.00 61.79 60.76 3ik4 h SER 65 Cb 0.72 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.96 3ik4 h SER 65 CO 0.04 0.91 -0.12 0.00 -1.14 0.00 0.00 176.83 176.52 3ik4 h ALA 66 N 1.24 1.15 -0.45 3.77 0.00 -1.54 -1.58 119.26 121.85 3ik4 h ALA 66 Ca 0.30 -0.29 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 3ik4 h ALA 66 Cb 0.08 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 3ik4 h ALA 66 CO -0.04 0.54 0.06 0.00 0.00 0.00 0.00 179.25 179.80 3ik4 h ALA 67 N 1.33 0.60 -0.50 0.00 0.00 -1.06 -1.74 119.26 117.89 3ik4 h ALA 67 Ca 0.10 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 3ik4 h ALA 67 Cb 0.53 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 3ik4 h ALA 67 CO 0.03 0.34 0.12 0.82 0.00 0.00 0.00 179.25 180.56 3ik4 h ILE 68 N 0.61 1.21 -0.46 0.00 2.04 -1.14 -0.37 117.51 119.40 3ik4 h ILE 68 Ca 0.13 -0.76 -0.12 0.00 1.00 0.00 0.00 64.86 65.12 3ik4 h ILE 68 Cb 0.41 0.70 -0.01 0.00 -0.74 0.00 0.00 36.82 37.17 3ik4 h ILE 68 CO 0.01 0.28 -0.20 -0.08 0.00 0.00 0.00 178.15 178.17 3ik4 h GLU 69 N 0.73 0.92 -0.51 2.37 4.22 -1.16 -1.85 114.58 119.30 3ik4 h GLU 69 Ca 0.16 -0.38 -0.06 0.00 0.08 0.00 0.00 59.36 59.16 3ik4 h GLU 69 Cb 0.27 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 3ik4 h GLU 69 CO -0.00 1.03 0.06 0.00 -2.18 0.00 0.00 179.01 177.92 3ik4 h ARG 70 N 0.81 0.82 0.00 1.92 3.08 -0.98 -3.09 114.38 116.94 3ik4 h ARG 70 Ca 0.11 -0.20 0.00 0.00 0.07 0.00 0.00 59.98 59.96 3ik4 h ARG 70 Cb 0.75 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.69 3ik4 h ARG 70 CO 0.06 0.79 -0.10 1.28 -1.07 0.00 0.00 179.97 180.93 3ik4 n LEU 71 N -4.24 0.21 -0.16 3.04 4.77 -0.18 -4.02 117.00 116.42 3ik4 n LEU 71 Ca 0.03 0.43 -0.05 0.00 -0.03 0.00 0.00 56.01 56.39 3ik4 n LEU 71 Cb 0.27 -0.43 0.04 0.00 -2.33 0.00 0.00 43.42 40.98 3ik4 n LEU 71 CO 0.41 -0.01 1.03 -0.61 -1.33 0.00 0.00 177.39 176.88 3ik4 h GLN 72 N 0.00 0.50 0.00 3.23 4.15 -1.25 -2.41 115.11 119.33 3ik4 h GLN 72 Ca 0.00 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.39 3ik4 h GLN 72 Cb 0.54 -0.11 0.00 0.00 0.21 0.00 0.00 27.48 28.12 3ik4 h GLN 72 CO 0.00 0.33 0.00 0.66 -1.93 0.00 0.00 178.83 177.89 3ik4 h SER 73 N 0.52 0.00 0.52 -0.69 4.64 -1.77 -1.11 113.55 115.66 3ik4 h SER 73 Ca 0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 3ik4 h SER 73 Cb 0.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 3ik4 h SER 73 CO -0.14 0.00 -0.39 1.41 -0.87 0.00 0.00 176.83 176.85 3ik4 n HIS 74 N -2.77 0.00 0.00 4.77 8.25 -0.91 -4.32 115.22 120.24 3ik4 n HIS 74 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.45 3ik4 n HIS 74 Cb 0.17 -0.26 0.00 0.00 1.12 0.00 0.00 29.99 31.01 3ik4 n HIS 74 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3ik4 n LEU 75 N -1.37 0.00 -4.71 2.41 4.77 -0.65 -4.90 117.00 112.55 3ik4 n LEU 75 Ca 0.07 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.63 3ik4 n LEU 75 Cb 0.33 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.39 3ik4 n LEU 75 CO 0.32 0.00 1.40 -0.76 -1.33 0.00 0.00 177.39 177.03 3ik4 s LEU 76 N -2.88 4.38 0.00 2.23 1.43 -0.52 -2.06 118.68 121.27 3ik4 s LEU 76 Ca 0.00 2.82 0.00 0.00 -1.03 0.00 0.00 54.13 55.92 3ik4 s LEU 76 Cb 0.00 -3.59 0.00 0.00 0.03 0.00 0.00 46.19 42.63 3ik4 s LEU 76 CO 0.00 -0.98 0.00 0.61 0.23 0.00 0.00 176.35 176.21 3ik4 n GLY 77 N 4.06 1.68 3.88 -3.19 0.00 0.23 -4.99 105.19 106.86 3ik4 n GLY 77 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 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 -3.09 3.46 -0.20 4.61 0.00 -0.87 -4.67 121.76 120.99 3ik4 s ALA 78 Ca 0.00 -0.31 -0.29 0.00 0.00 0.00 0.00 51.96 51.36 3ik4 s ALA 78 Cb 0.00 -2.55 0.00 0.00 0.00 0.00 0.00 23.12 20.57 3ik4 s ALA 78 CO 0.00 0.14 1.12 0.34 0.00 0.00 0.00 175.76 177.36 3ik4 s ASP 79 N -3.03 7.05 0.24 0.00 3.68 -1.26 -0.65 116.67 122.71 3ik4 s ASP 79 Ca 0.49 1.50 0.19 0.00 2.13 0.00 0.00 52.55 56.85 3ik4 s ASP 79 Cb -0.10 -2.54 0.94 0.00 -1.45 0.00 0.00 42.92 39.76 3ik4 s ASP 79 CO 0.29 -0.69 1.58 0.55 0.13 0.00 0.00 175.17 177.02 3ik4 n VAL 80 N 5.30 1.11 0.25 1.11 3.14 0.19 -2.35 118.33 127.08 3ik4 n VAL 80 Ca 0.13 0.55 0.12 0.00 -2.96 0.00 0.00 64.34 62.18 3ik4 n VAL 80 Cb 0.46 -1.52 0.65 0.00 -1.06 0.00 0.00 33.84 32.37 3ik4 n VAL 80 CO 0.00 0.00 0.00 0.03 -6.46 0.00 0.00 176.83 170.40 3ik4 h ARG 81 N 0.00 0.00 -1.52 1.45 3.08 -1.91 -2.53 114.38 112.95 3ik4 h ARG 81 Ca 0.00 0.00 -0.35 0.00 0.07 0.00 0.00 59.98 59.70 3ik4 h ARG 81 Cb 0.11 0.00 -0.15 0.00 0.08 0.00 0.00 29.97 30.01 3ik4 h ARG 81 CO 0.00 0.15 0.44 0.41 -1.07 0.00 0.00 179.97 179.90 3ik4 n GLY 82 N -0.38 4.21 0.36 0.04 0.00 -0.99 -4.74 105.19 103.69 3ik4 n GLY 82 Ca -0.01 -1.19 0.17 0.00 0.00 0.00 0.00 46.02 44.99 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 1.57 0.94 -0.03 1.61 5.08 -1.69 0.12 115.95 123.56 3ik4 h TRP 83 Ca 0.31 0.03 -0.20 0.00 1.08 0.00 0.00 58.89 60.11 3ik4 h TRP 83 Cb 0.90 -0.28 -0.00 0.00 -3.00 0.00 0.00 29.16 26.78 3ik4 h TRP 83 CO 0.87 0.12 -0.85 -0.09 -1.28 0.00 0.00 178.44 177.21 3ik4 h ARG 84 N 0.60 0.38 -0.35 0.12 2.43 -1.89 -1.50 114.38 114.17 3ik4 h ARG 84 Ca 0.61 -0.37 -0.15 0.00 -0.81 0.00 0.00 59.98 59.26 3ik4 h ARG 84 Cb 1.18 0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.81 3ik4 h ARG 84 CO -0.40 1.03 -0.36 -0.22 -1.51 0.00 0.00 179.97 178.52 3ik4 h LYS 85 N 0.23 0.86 -0.42 0.20 3.64 -1.42 -2.60 116.57 117.07 3ik4 h LYS 85 Ca -0.05 -0.46 -0.11 0.00 -1.27 0.00 0.00 60.65 58.76 3ik4 h LYS 85 Cb 1.46 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 33.28 3ik4 h LYS 85 CO 0.14 1.10 -0.16 -0.07 -2.27 0.00 0.00 179.45 178.19 3ik4 h LEU 86 N 0.66 0.87 -1.27 5.20 3.38 -1.17 -2.24 115.31 120.73 3ik4 h LEU 86 Ca 0.05 -0.39 0.04 0.00 0.09 0.00 0.00 57.88 57.68 3ik4 h LEU 86 Cb 0.95 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 41.41 3ik4 h LEU 86 CO 0.09 1.06 0.51 0.00 0.09 0.00 0.00 178.44 180.19 3ik4 h ALA 87 N 0.84 1.56 -0.37 1.53 0.00 -1.29 -1.64 119.26 119.88 3ik4 h ALA 87 Ca 0.10 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.84 3ik4 h ALA 87 Cb 0.71 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 3ik4 h ALA 87 CO 0.05 0.35 -0.30 0.00 0.00 0.00 0.00 179.25 179.36 3ik4 h ALA 88 N 1.55 0.54 -0.01 0.00 0.00 -1.24 -2.85 119.26 117.24 3ik4 h ALA 88 Ca 0.32 -0.41 -0.18 0.00 0.00 0.00 0.00 54.91 54.63 3ik4 h ALA 88 Cb 0.09 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3ik4 h ALA 88 CO -0.10 0.57 -0.80 0.00 0.00 0.00 0.00 179.25 178.93 3ik4 h MET 89 N 0.66 0.15 -0.66 0.00 -0.00 -1.09 -1.55 114.93 112.43 3ik4 h MET 89 Ca 0.07 -0.14 0.06 0.00 -0.00 0.00 0.00 59.70 59.68 3ik4 h MET 89 Cb 0.88 0.04 -0.06 0.00 -0.00 0.00 0.00 31.60 32.46 3ik4 h MET 89 CO 0.08 0.87 0.36 -0.07 -0.00 0.00 0.00 176.91 178.15 3ik4 h LEU 90 N 0.09 0.53 -1.00 -0.10 3.38 -1.39 -1.23 115.31 115.60 3ik4 h LEU 90 Ca -0.03 0.03 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 3ik4 h LEU 90 Cb 1.39 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 42.06 3ik4 h LEU 90 CO 0.12 0.35 -0.44 -0.78 0.09 0.00 0.00 178.44 177.77 3ik4 h ASP 91 N 0.67 0.13 0.11 -0.43 -0.00 -1.25 -0.08 116.42 115.59 3ik4 h ASP 91 Ca 0.30 -0.06 -0.25 0.00 -0.00 0.00 0.00 57.03 57.02 3ik4 h ASP 91 Cb 0.19 -0.04 0.01 0.00 -0.00 0.00 0.00 39.33 39.50 3ik4 h ASP 91 CO -0.19 0.56 -0.98 -0.74 -0.00 0.00 0.00 179.24 177.90 3ik4 h HIS 92 N 0.11 0.88 0.08 0.28 2.76 -1.11 -3.06 115.15 115.09 3ik4 h HIS 92 Ca 0.01 -0.47 -0.26 0.00 -2.20 0.00 0.00 60.37 57.45 3ik4 h HIS 92 Cb 0.82 -0.10 0.01 0.00 1.55 0.00 0.00 27.41 29.68 3ik4 h HIS 92 CO 0.01 1.30 -1.12 0.00 -1.30 0.00 0.00 177.93 176.82 3ik4 h ALA 93 N 0.55 0.20 -1.38 5.26 0.00 -1.13 -3.42 119.26 119.34 3ik4 h ALA 93 Ca -0.10 -0.80 -0.42 0.00 0.00 0.00 0.00 54.91 53.59 3ik4 h ALA 93 Cb 1.62 0.01 -0.32 0.00 0.00 0.00 0.00 17.79 19.10 3ik4 h ALA 93 CO 0.18 0.87 -0.95 -1.91 0.00 0.00 0.00 179.25 177.44 3ik4 n GLU 94 N -3.66 0.90 -0.12 0.00 4.07 -0.05 -4.98 120.64 116.80 3ik4 n GLU 94 Ca -0.08 -2.87 -0.01 0.00 -0.06 0.00 0.00 57.16 54.13 3ik4 n GLU 94 Cb 0.94 -1.43 0.25 0.00 -0.06 0.00 0.00 31.44 31.14 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 3.34 0.79 0.00 4.31 -0.00 -1.71 -2.91 115.15 118.98 3ik4 h HIS 95 Ca 0.03 -0.04 -0.04 0.00 -0.00 0.00 0.00 60.37 60.32 3ik4 h HIS 95 Cb 0.98 -0.25 -0.01 0.00 -0.00 0.00 0.00 27.41 28.14 3ik4 h HIS 95 CO 0.37 0.61 -0.19 0.93 -0.00 0.00 0.00 177.93 179.65 3ik4 h GLU 96 N 0.78 0.00 -2.76 5.26 3.07 -1.94 -3.34 114.58 115.66 3ik4 h GLU 96 Ca 0.19 0.00 -0.75 0.00 -0.50 0.00 0.00 59.36 58.30 3ik4 h GLU 96 Cb 0.15 0.00 -0.13 0.00 -0.84 0.00 0.00 28.75 27.93 3ik4 h GLU 96 CO -0.02 0.19 2.33 0.00 -1.40 0.00 0.00 179.01 180.11 3ik4 n ALA 97 N -2.19 6.55 -0.34 3.43 0.00 -1.10 -4.80 120.51 122.07 3ik4 n ALA 97 Ca 0.01 -4.13 -0.02 0.00 0.00 0.00 0.00 53.44 49.29 3ik4 n ALA 97 Cb 0.44 -2.80 0.10 0.00 0.00 0.00 0.00 19.45 17.20 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 4.80 1.17 -0.43 0.00 0.00 -1.82 -1.15 119.26 121.82 3ik4 h ALA 98 Ca 0.65 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 55.44 3ik4 h ALA 98 Cb 0.36 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3ik4 h ALA 98 CO 1.50 0.53 0.04 0.00 0.00 0.00 0.00 179.25 181.32 3ik4 h ALA 99 N 1.35 0.58 -0.14 0.00 0.00 -1.86 0.15 119.26 119.33 3ik4 h ALA 99 Ca 0.34 -0.24 0.01 0.00 0.00 0.00 0.00 54.91 55.02 3ik4 h ALA 99 Cb -0.10 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 3ik4 h ALA 99 CO -0.09 0.33 0.05 0.00 0.00 0.00 0.00 179.25 179.55 3ik4 h ALA 100 N 0.92 0.16 -0.52 0.00 0.00 -1.68 -1.42 119.26 116.72 3ik4 h ALA 100 Ca 0.13 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.96 3ik4 h ALA 100 Cb 0.43 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 3ik4 h ALA 100 CO 0.01 -0.39 -0.05 0.00 0.00 0.00 0.00 179.25 178.82 3ik4 h ARG 101 N 0.12 0.92 -0.14 0.00 3.08 -1.16 -2.05 114.38 115.15 3ik4 h ARG 101 Ca 0.06 -0.29 0.03 0.00 0.07 0.00 0.00 59.98 59.85 3ik4 h ARG 101 Cb 0.03 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 29.96 3ik4 h ARG 101 CO -0.06 0.94 -0.07 0.00 -1.07 0.00 0.00 179.97 179.71 3ik4 h GLY 103 N -0.06 1.11 0.94 0.00 0.00 -1.11 0.20 103.07 104.15 3ik4 h GLY 103 Ca 0.08 -0.51 -0.03 0.00 0.00 0.00 0.00 47.33 46.87 3ik4 h GLY 103 CO -0.18 0.48 0.12 1.41 0.00 0.00 0.00 176.54 178.38 3ik4 h LEU 104 N 1.03 0.61 -0.71 3.11 3.38 -1.23 -0.44 115.31 121.06 3ik4 h LEU 104 Ca 0.26 -0.21 -0.07 0.00 0.09 0.00 0.00 57.88 57.95 3ik4 h LEU 104 Cb 0.04 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 3ik4 h LEU 104 CO -0.04 0.66 0.18 -0.33 0.09 0.00 0.00 178.44 179.00 3ik4 h GLU 105 N 0.53 1.13 -0.73 1.13 5.08 -0.31 -1.02 114.58 120.39 3ik4 h GLU 105 Ca 0.13 -0.27 -0.04 0.00 -1.00 0.00 0.00 59.36 58.19 3ik4 h GLU 105 Cb 0.27 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.34 3ik4 h GLU 105 CO -0.00 0.99 0.31 0.52 -1.00 0.00 0.00 179.01 179.82 3ik4 h MET 106 N 1.07 1.08 -0.06 2.33 2.86 -0.39 -1.79 114.93 120.02 3ik4 h MET 106 Ca 0.22 -0.19 -0.01 0.00 -2.06 0.00 0.00 59.70 57.67 3ik4 h MET 106 Cb 0.36 -0.18 -0.00 0.00 0.06 0.00 0.00 31.60 31.84 3ik4 h MET 106 CO 0.00 0.88 0.01 0.00 1.06 0.00 0.00 176.91 178.86 3ik4 h ALA 107 N 1.15 0.08 -0.62 6.32 0.00 -0.85 -1.11 119.26 124.23 3ik4 h ALA 107 Ca 0.25 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 55.01 3ik4 h ALA 107 Cb 0.19 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 3ik4 h ALA 107 CO -0.02 -0.26 0.41 0.52 0.00 0.00 0.00 179.25 179.90 3ik4 h MET 108 N -0.16 0.82 -0.29 0.00 2.07 -1.10 -0.67 114.93 115.60 3ik4 h MET 108 Ca 0.02 -0.05 -0.12 0.00 -2.07 0.00 0.00 59.70 57.48 3ik4 h MET 108 Cb 0.30 -0.18 -0.01 0.00 -1.87 0.00 0.00 31.60 29.83 3ik4 h MET 108 CO 0.00 0.54 -0.30 -0.07 1.07 0.00 0.00 176.91 178.15 3ik4 h LEU 109 N 0.84 0.63 -0.64 1.22 3.38 -1.30 -0.46 115.31 118.98 3ik4 h LEU 109 Ca 0.23 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3ik4 h LEU 109 Cb -0.09 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.45 3ik4 h LEU 109 CO -0.05 0.89 0.41 -0.78 0.09 0.00 0.00 178.44 179.00 3ik4 h ASP 110 N 0.52 0.74 0.02 -0.43 3.58 -0.87 -1.27 116.42 118.71 3ik4 h ASP 110 Ca 0.06 -0.03 -0.00 0.00 0.42 0.00 0.00 57.03 57.48 3ik4 h ASP 110 Cb 0.78 -0.19 0.00 0.00 1.72 0.00 0.00 39.33 41.64 3ik4 h ASP 110 CO 0.06 0.55 -0.01 0.00 -2.88 0.00 0.00 179.24 176.96 3ik4 h ALA 111 N 1.22 -0.03 -0.17 -0.78 0.00 -0.85 -1.01 119.26 117.65 3ik4 h ALA 111 Ca 0.23 -0.09 0.04 0.00 0.00 0.00 0.00 54.91 55.09 3ik4 h ALA 111 Cb -0.08 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.67 3ik4 h ALA 111 CO -0.05 -0.43 -0.12 1.25 0.00 0.00 0.00 179.25 179.91 3ik4 h LEU 112 N -0.20 -0.37 -0.31 0.00 5.85 -0.92 -0.35 115.31 119.01 3ik4 h LEU 112 Ca -0.00 0.08 -0.20 0.00 0.84 0.00 0.00 57.88 58.60 3ik4 h LEU 112 Cb 0.19 0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.41 3ik4 h LEU 112 CO 0.00 -0.15 -0.85 0.71 -0.34 0.00 0.00 178.44 177.81 3ik4 h THR 113 N -0.12 1.46 -0.68 1.05 1.35 -1.22 -2.79 112.91 111.97 3ik4 h THR 113 Ca 0.10 -2.48 -0.07 0.00 -0.55 0.00 0.00 66.41 63.41 3ik4 h THR 113 Cb 0.27 2.38 -0.03 0.00 -1.73 0.00 0.00 68.15 69.04 3ik4 h THR 113 CO -0.24 0.73 0.16 0.03 -0.25 0.00 0.00 175.52 175.95 3ik4 h ARG 114 N 0.15 1.08 -0.01 4.72 3.08 -0.99 0.33 114.38 122.74 3ik4 h ARG 114 Ca -0.05 -0.25 0.03 0.00 0.07 0.00 0.00 59.98 59.78 3ik4 h ARG 114 Cb 1.46 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 31.33 3ik4 h ARG 114 CO 0.13 0.96 -0.16 1.25 -1.07 0.00 0.00 179.97 181.08 3ik4 h HIS 115 N 1.03 -0.41 -0.17 3.04 2.76 -0.95 -2.61 115.15 117.84 3ik4 h HIS 115 Ca 0.21 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.40 3ik4 h HIS 115 Cb 0.36 0.19 0.00 0.00 1.55 0.00 0.00 27.41 29.51 3ik4 h HIS 115 CO 0.03 -0.23 0.00 0.66 -1.30 0.00 0.00 177.93 177.08 3ik4 n TYR 116 N -5.29 0.22 -2.34 5.26 4.01 -1.06 -4.91 117.16 113.05 3ik4 n TYR 116 Ca -0.05 -0.11 -0.18 0.00 -0.16 0.00 0.00 57.90 57.40 3ik4 n TYR 116 Cb 0.21 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.23 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 -0.00 -0.85 -4.26 -0.72 8.25 -0.58 -5.00 115.22 112.06 3ik4 n HIS 117 Ca 0.08 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.20 3ik4 n HIS 117 Cb 0.16 -3.55 -0.11 0.00 1.12 0.00 0.00 29.99 27.62 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 -4.89 3.71 0.44 -0.41 0.00 0.11 -4.64 119.30 113.62 3ik4 s MET 118 Ca 0.00 -0.45 -0.25 0.00 0.00 0.00 0.00 55.69 54.99 3ik4 s MET 118 Cb 0.00 -3.01 -0.09 0.00 0.00 0.00 0.00 34.83 31.73 3ik4 s MET 118 CO 0.00 0.30 1.35 -2.30 0.00 0.00 0.00 175.02 174.38 3ik4 n PRO 119 N 3.38 2.10 0.01 4.11 -0.02 -1.25 -1.14 135.00 142.20 3ik4 n PRO 119 Ca -0.17 0.75 -0.00 0.00 -2.02 0.00 0.00 63.50 62.05 3ik4 n PRO 119 Cb 0.52 -2.51 0.29 0.00 -0.02 0.00 0.00 33.50 31.78 3ik4 n PRO 119 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3ik4 h LEU 120 N 2.19 0.46 -1.84 2.45 3.38 -1.24 -1.91 115.31 118.80 3ik4 h LEU 120 Ca -0.49 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 57.35 3ik4 h LEU 120 Cb 1.28 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.91 3ik4 h LEU 120 CO 0.60 0.58 -0.14 1.12 0.09 0.00 0.00 178.44 180.69 3ik4 h HIS 121 N 0.46 0.00 0.16 1.13 2.07 -1.81 -1.39 115.15 115.78 3ik4 h HIS 121 Ca 0.09 0.00 -0.30 0.00 -2.85 0.00 0.00 60.37 57.31 3ik4 h HIS 121 Cb 0.40 0.00 0.03 0.00 2.57 0.00 0.00 27.41 30.40 3ik4 h HIS 121 CO 0.01 0.14 -1.31 0.28 -3.07 0.00 0.00 177.93 173.99 3ik4 h VAL 122 N 0.00 1.34 -0.57 6.12 2.07 -1.75 0.20 116.25 123.66 3ik4 h VAL 122 Ca -0.00 -2.68 -0.02 0.00 0.82 0.00 0.00 66.70 64.83 3ik4 h VAL 122 Cb 0.35 2.85 -0.03 0.00 -1.52 0.00 0.00 31.29 32.95 3ik4 h VAL 122 CO 0.02 0.80 0.29 0.15 0.02 0.00 0.00 177.57 178.85 3ik4 h PHE 123 N 0.18 0.78 -0.00 1.57 3.04 -0.88 -2.68 116.94 118.96 3ik4 h PHE 123 Ca -0.19 -0.02 0.00 0.00 3.98 0.00 0.00 57.97 61.74 3ik4 h PHE 123 Cb 1.99 -0.25 0.00 0.00 2.56 0.00 0.00 35.95 40.25 3ik4 h PHE 123 CO 0.10 0.56 -0.22 1.19 -2.02 0.00 0.00 178.31 177.93 3ik4 n PHE 124 N -4.38 0.00 0.00 0.41 0.99 -0.57 -4.93 117.46 108.99 3ik4 n PHE 124 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.50 3ik4 n PHE 124 Cb 0.11 -0.25 0.00 0.00 -1.00 0.00 0.00 39.48 38.34 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 1.39 0.91 2.21 1.37 0.00 -1.01 -3.27 105.19 106.79 3ik4 n GLY 125 Ca 0.10 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.07 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 0.81 0.14 -0.02 0.00 0.70 -4.89 105.19 101.94 3ik4 n GLY 126 Ca 0.00 -0.63 -0.12 0.00 0.00 0.00 0.00 46.02 45.26 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 1.31 -4.51 1.61 2.07 -1.50 -3.47 116.25 111.76 3ik4 h VAL 127 Ca -0.12 -1.16 -0.22 0.00 0.82 0.00 0.00 66.70 66.02 3ik4 h VAL 127 Cb 0.42 1.69 -0.15 0.00 -1.52 0.00 0.00 31.29 31.74 3ik4 h VAL 127 CO 0.17 0.35 -0.59 -0.94 0.02 0.00 0.00 177.57 176.58 3ik4 s SER 128 N -6.06 0.14 -0.10 0.57 1.04 -0.34 -5.03 113.70 103.92 3ik4 s SER 128 Ca -0.14 -1.35 0.15 0.00 0.48 0.00 0.00 55.95 55.10 3ik4 s SER 128 Cb 0.06 0.39 0.23 0.00 0.10 0.00 0.00 66.02 66.80 3ik4 s SER 128 CO 0.75 -0.85 1.12 0.29 0.98 0.00 0.00 173.24 175.53 3ik4 n LYS 129 N -0.27 1.03 -3.70 4.02 5.02 -1.26 -4.25 118.16 118.75 3ik4 n LYS 129 Ca 0.01 -2.27 -0.12 0.00 -2.02 0.00 0.00 58.31 53.91 3ik4 n LYS 129 Cb 0.66 -1.30 -0.09 0.00 -0.02 0.00 0.00 35.03 34.27 3ik4 n LYS 129 CO 0.00 0.00 0.00 1.14 -0.52 0.00 0.00 177.40 178.02 3ik4 s GLN 130 N -2.31 0.55 0.07 1.97 -2.07 -1.26 0.25 119.66 116.86 3ik4 s GLN 130 Ca 0.26 0.76 0.04 0.00 -1.82 0.00 0.00 55.36 54.60 3ik4 s GLN 130 Cb 0.23 0.19 -0.03 0.00 -1.09 0.00 0.00 33.01 32.31 3ik4 s GLN 130 CO 0.02 -0.10 -0.12 -0.51 -1.32 0.00 0.00 175.29 173.26 3ik4 s LEU 131 N 0.67 2.28 -0.30 2.60 1.43 -0.46 -4.91 118.68 119.99 3ik4 s LEU 131 Ca -0.03 -0.62 -0.02 0.00 -1.03 0.00 0.00 54.13 52.43 3ik4 s LEU 131 Cb -0.05 -0.40 0.05 0.00 0.03 0.00 0.00 46.19 45.83 3ik4 s LEU 131 CO -0.05 -0.13 0.01 -0.70 0.23 0.00 0.00 176.35 175.71 3ik4 s GLU 132 N -1.79 2.42 0.22 1.70 2.56 -1.26 0.04 118.70 122.59 3ik4 s GLU 132 Ca -0.04 -1.28 -0.04 0.00 0.00 0.00 0.00 54.97 53.62 3ik4 s GLU 132 Cb -0.09 -3.20 -0.05 0.00 2.00 0.00 0.00 34.13 32.78 3ik4 s GLU 132 CO 0.02 -0.63 0.46 -0.08 -0.56 0.00 0.00 175.26 174.46 3ik4 s THR 133 N 1.25 5.11 0.82 -1.70 -1.32 0.17 -4.18 115.64 115.79 3ik4 s THR 133 Ca -0.05 -0.04 -0.12 0.00 -1.21 0.00 0.00 61.69 60.27 3ik4 s THR 133 Cb -0.20 -3.70 0.19 0.00 -1.51 0.00 0.00 72.50 67.28 3ik4 s THR 133 CO -0.01 -0.17 1.11 -0.90 -2.21 0.00 0.00 174.62 172.45 3ik4 n ASP 134 N -0.53 0.25 -3.93 8.08 3.85 -0.36 -4.62 116.55 119.29 3ik4 n ASP 134 Ca -0.03 -1.50 -0.10 0.00 -0.71 0.00 0.00 54.79 52.45 3ik4 n ASP 134 Cb 0.53 -0.84 -0.12 0.00 -1.35 0.00 0.00 41.12 39.34 3ik4 n ASP 134 CO 0.00 0.00 0.00 -0.32 -1.01 0.00 0.00 177.20 175.87 3ik4 s MET 135 N -5.41 0.20 -0.04 0.11 1.75 -1.13 -4.57 119.30 110.21 3ik4 s MET 135 Ca 0.64 -0.34 -0.13 0.00 -1.25 0.00 0.00 55.69 54.61 3ik4 s MET 135 Cb -0.02 0.07 -0.05 0.00 2.84 0.00 0.00 34.83 37.67 3ik4 s MET 135 CO 0.45 -0.03 0.35 0.99 -0.65 0.00 0.00 175.02 176.13 3ik4 s THR 136 N -0.86 5.14 0.02 10.11 2.01 -1.26 0.12 115.64 130.93 3ik4 s THR 136 Ca -0.09 0.71 -0.27 0.00 0.31 0.00 0.00 61.69 62.34 3ik4 s THR 136 Cb -0.06 -3.65 -0.04 0.00 0.01 0.00 0.00 72.50 68.75 3ik4 s THR 136 CO -0.00 0.56 0.87 -0.63 -0.69 0.00 0.00 174.62 174.73 3ik4 s ILE 137 N -0.89 4.78 0.00 1.82 1.01 -0.17 -4.92 121.20 122.82 3ik4 s ILE 137 Ca 0.22 1.84 0.00 0.00 0.00 0.00 0.00 60.65 62.71 3ik4 s ILE 137 Cb -0.15 -4.22 0.00 0.00 0.01 0.00 0.00 42.46 38.10 3ik4 s ILE 137 CO 0.11 0.27 0.20 0.41 0.00 0.00 0.00 174.94 175.93 3ik4 n THR 138 N 3.34 0.00 0.00 2.92 -1.04 -1.26 -4.37 114.28 113.87 3ik4 n THR 138 Ca 0.02 0.50 0.00 0.00 -2.04 0.00 0.00 64.05 62.53 3ik4 n THR 138 Cb 0.50 -1.10 0.00 0.00 -1.82 0.00 0.00 70.33 67.91 3ik4 n THR 138 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3ik4 n ALA 139 N -1.32 0.00 -0.31 2.41 0.00 -1.26 -4.88 120.51 115.15 3ik4 n ALA 139 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3ik4 n ALA 139 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3ik4 n ALA 139 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ik4 n GLY 140 N 0.00 1.56 0.00 0.00 0.00 -1.26 -4.22 105.19 101.27 3ik4 n GLY 140 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 10.60 0.30 0.10 1.61 5.68 -1.26 -4.97 116.55 128.61 3ik4 n ASP 141 Ca 0.00 0.00 -0.02 0.00 -0.50 0.00 0.00 54.79 54.27 3ik4 n ASP 141 Cb 0.00 0.00 -0.01 0.00 -1.14 0.00 0.00 41.12 39.97 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 0.02 0.11 4.11 -1.94 -3.08 114.58 113.81 3ik4 h GLU 142 Ca 0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.43 3ik4 h GLU 142 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3ik4 h GLU 142 CO 0.00 0.74 -0.01 0.28 0.07 0.00 0.00 179.01 180.09 3ik4 h VAL 143 N 0.00 1.44 0.00 -1.06 2.07 -1.95 -3.06 116.25 113.69 3ik4 h VAL 143 Ca -0.01 -1.60 -0.05 0.00 0.82 0.00 0.00 66.70 65.86 3ik4 h VAL 143 Cb 1.52 2.49 -0.01 0.00 -1.52 0.00 0.00 31.29 33.78 3ik4 h VAL 143 CO 0.10 0.40 -0.23 0.45 0.02 0.00 0.00 177.57 178.31 3ik4 h HIS 144 N -0.75 0.00 -0.09 1.57 3.86 -1.88 -2.72 115.15 115.14 3ik4 h HIS 144 Ca -0.00 0.00 -0.17 0.00 -1.16 0.00 0.00 60.37 59.03 3ik4 h HIS 144 Cb 0.68 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.15 3ik4 h HIS 144 CO 0.16 0.23 -0.69 0.00 0.86 0.00 0.00 177.93 178.49 3ik4 h ALA 145 N 1.77 0.65 -0.59 2.45 0.00 -1.61 -0.50 119.26 121.43 3ik4 h ALA 145 Ca -0.00 -0.59 -0.08 0.00 0.00 0.00 0.00 54.91 54.24 3ik4 h ALA 145 Cb 0.42 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 3ik4 h ALA 145 CO 0.03 0.75 0.04 0.00 0.00 0.00 0.00 179.25 180.07 3ik4 h ALA 146 N 0.99 0.79 -0.55 0.00 0.00 -1.40 -0.81 119.26 118.28 3ik4 h ALA 146 Ca -0.02 -0.29 -0.08 0.00 0.00 0.00 0.00 54.91 54.52 3ik4 h ALA 146 Cb 1.25 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 3ik4 h ALA 146 CO 0.12 0.60 0.02 0.00 0.00 0.00 0.00 179.25 179.98 3ik4 h ALA 147 N 0.99 0.99 -0.36 0.00 0.00 -1.37 -1.93 119.26 117.58 3ik4 h ALA 147 Ca 0.17 -0.28 -0.09 0.00 0.00 0.00 0.00 54.91 54.71 3ik4 h ALA 147 Cb 0.50 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 3ik4 h ALA 147 CO 0.02 0.62 -0.14 0.77 0.00 0.00 0.00 179.25 180.53 3ik4 h SER 148 N 0.86 0.75 -0.37 0.00 0.02 -0.97 -0.84 113.55 113.00 3ik4 h SER 148 Ca 0.16 -0.39 0.06 0.00 -0.84 0.00 0.00 61.79 60.79 3ik4 h SER 148 Cb 0.48 -0.21 -0.06 0.00 0.14 0.00 0.00 62.40 62.76 3ik4 h SER 148 CO 0.02 0.97 0.02 0.00 -1.14 0.00 0.00 176.83 176.70 3ik4 h ALA 149 N 0.81 0.35 -0.70 3.77 0.00 -1.02 0.48 119.26 122.96 3ik4 h ALA 149 Ca 0.09 0.10 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 3ik4 h ALA 149 Cb 0.67 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 3ik4 h ALA 149 CO 0.05 -0.38 0.21 0.87 0.00 0.00 0.00 179.25 180.00 3ik4 h LYS 150 N 0.13 1.09 -0.81 0.00 1.57 -1.32 -2.80 116.57 114.43 3ik4 h LYS 150 Ca 0.18 -0.24 -0.04 0.00 -1.87 0.00 0.00 60.65 58.68 3ik4 h LYS 150 Cb 0.24 -0.15 -0.04 0.00 0.08 0.00 0.00 32.23 32.36 3ik4 h LYS 150 CO -0.28 0.94 0.33 0.00 -0.57 0.00 0.00 179.45 179.88 3ik4 h ALA 151 N 1.10 1.06 -0.12 3.86 0.00 -0.41 -1.84 119.26 122.91 3ik4 h ALA 151 Ca 0.22 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 3ik4 h ALA 151 Cb 0.31 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3ik4 h ALA 151 CO -0.01 0.67 0.06 0.82 0.00 0.00 0.00 179.25 180.79 3ik4 h ILE 152 N 1.18 1.12 0.00 0.00 2.04 -0.86 -2.94 117.51 118.05 3ik4 h ILE 152 Ca 0.27 -0.36 -0.04 0.00 1.00 0.00 0.00 64.86 65.74 3ik4 h ILE 152 Cb 0.20 1.15 -0.01 0.00 -0.74 0.00 0.00 36.82 37.42 3ik4 h ILE 152 CO -0.02 0.11 -0.18 -0.07 0.00 0.00 0.00 178.15 177.99 3ik4 h LEU 153 N 0.06 0.00 -1.07 1.44 3.38 -1.38 -2.32 115.31 115.41 3ik4 h LEU 153 Ca 0.04 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 3ik4 h LEU 153 Cb 0.13 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.87 3ik4 h LEU 153 CO -0.00 0.18 -0.13 0.00 0.09 0.00 0.00 178.44 178.57 3ik4 h ALA 154 N 1.82 1.00 0.00 1.53 0.00 -1.20 -2.92 119.26 119.49 3ik4 h ALA 154 Ca -0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3ik4 h ALA 154 Cb 0.60 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.37 3ik4 h ALA 154 CO 0.02 0.17 0.00 0.54 0.00 0.00 0.00 179.25 179.98 3ik4 n ARG 155 N -3.25 0.37 -1.25 0.00 1.74 -0.88 -4.91 116.66 108.49 3ik4 n ARG 155 Ca 0.01 0.02 0.00 0.00 -0.77 0.00 0.00 57.85 57.10 3ik4 n ARG 155 Cb 0.41 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.35 3ik4 n ARG 155 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3ik4 n GLY 156 N 1.17 0.63 3.58 -0.13 0.00 -1.10 -4.05 105.19 105.29 3ik4 n GLY 156 Ca 0.13 -0.77 -0.37 0.00 0.00 0.00 0.00 46.02 45.02 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 -2.00 4.97 -0.00 -0.61 1.01 -1.21 -2.59 121.20 120.76 3ik4 s ILE 157 Ca 0.00 0.05 -0.25 0.00 0.00 0.00 0.00 60.65 60.44 3ik4 s ILE 157 Cb 0.00 -3.32 -0.19 0.00 0.01 0.00 0.00 42.46 38.95 3ik4 s ILE 157 CO 0.00 0.33 1.34 0.11 0.00 0.00 0.00 174.94 176.72 3ik4 h LYS 158 N 7.82 -0.02 -6.60 2.79 6.56 -1.89 -3.38 116.57 121.85 3ik4 h LYS 158 Ca -0.37 0.00 -0.65 0.00 -1.06 0.00 0.00 60.65 58.57 3ik4 h LYS 158 Cb 1.18 0.00 -0.17 0.00 -0.57 0.00 0.00 32.23 32.67 3ik4 h LYS 158 CO 0.61 0.38 -0.77 -1.54 -2.06 0.00 0.00 179.45 176.07 3ik4 s SER 159 N -5.58 3.98 0.15 0.86 1.04 -1.26 -4.10 113.70 108.79 3ik4 s SER 159 Ca -0.15 -0.60 0.10 0.00 0.48 0.00 0.00 55.95 55.77 3ik4 s SER 159 Cb 0.02 -0.58 -0.04 0.00 0.10 0.00 0.00 66.02 65.52 3ik4 s SER 159 CO 0.66 0.14 -0.22 0.27 0.98 0.00 0.00 173.24 175.07 3ik4 s ILE 160 N -1.43 2.02 -0.13 -1.02 -4.36 -0.97 -2.85 121.20 112.46 3ik4 s ILE 160 Ca 0.21 -1.80 -0.02 0.00 -0.26 0.00 0.00 60.65 58.78 3ik4 s ILE 160 Cb -0.10 -1.86 -0.02 0.00 1.25 0.00 0.00 42.46 41.73 3ik4 s ILE 160 CO 0.12 -0.10 -0.07 -0.75 0.24 0.00 0.00 174.94 174.37 3ik4 s LYS 161 N -2.35 3.39 -0.10 0.37 2.20 0.12 -1.21 119.74 122.17 3ik4 s LYS 161 Ca 0.14 -0.58 0.04 0.00 -0.36 0.00 0.00 55.97 55.21 3ik4 s LYS 161 Cb -0.08 -2.76 0.00 0.00 -1.51 0.00 0.00 37.83 33.48 3ik4 s LYS 161 CO 0.07 0.32 -0.22 0.54 -0.36 0.00 0.00 175.35 175.69 3ik4 s VAL 162 N 0.11 1.94 -0.02 4.02 0.11 0.51 -1.00 120.40 126.06 3ik4 s VAL 162 Ca -0.03 -0.95 -0.24 0.00 -2.93 0.00 0.00 61.98 57.84 3ik4 s VAL 162 Cb -0.14 -1.68 -0.04 0.00 -1.53 0.00 0.00 36.38 32.99 3ik4 s VAL 162 CO 0.03 0.53 0.72 -0.75 -3.33 0.00 0.00 175.10 172.31 3ik4 s LYS 163 N 0.38 4.45 0.22 1.54 2.47 -1.26 -0.02 119.74 127.51 3ik4 s LYS 163 Ca -0.18 0.94 0.10 0.00 -1.56 0.00 0.00 55.97 55.27 3ik4 s LYS 163 Cb -0.18 -3.41 -0.05 0.00 -1.46 0.00 0.00 37.83 32.74 3ik4 s LYS 163 CO 0.08 0.16 -0.19 0.95 0.16 0.00 0.00 175.35 176.51 3ik4 s THR 164 N 0.44 2.14 0.02 3.43 -4.23 0.14 -4.93 115.64 112.66 3ik4 s THR 164 Ca 0.38 -2.16 0.09 0.00 -1.18 0.00 0.00 61.69 58.81 3ik4 s THR 164 Cb -0.19 -2.10 -0.23 0.00 1.34 0.00 0.00 72.50 71.33 3ik4 s THR 164 CO 0.20 -0.35 0.91 0.00 -0.54 0.00 0.00 174.62 174.84 3ik4 h ALA 165 N 2.78 0.56 0.00 3.99 0.00 -1.86 -3.38 119.26 121.35 3ik4 h ALA 165 Ca -0.42 -1.22 0.00 0.00 0.00 0.00 0.00 54.91 53.28 3ik4 h ALA 165 Cb 1.23 0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.24 3ik4 h ALA 165 CO 0.55 1.41 0.00 0.41 0.00 0.00 0.00 179.25 181.62 3ik4 n GLY 166 N 1.49 1.43 0.13 0.00 0.00 -1.26 -4.22 105.19 102.76 3ik4 n GLY 166 Ca -0.11 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.96 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 0.49 -2.96 1.61 -1.51 -1.94 -3.32 116.25 108.61 3ik4 h VAL 167 Ca 0.00 -1.79 -0.59 0.00 -1.23 0.00 0.00 66.70 63.09 3ik4 h VAL 167 Cb 0.00 2.09 -0.40 0.00 -2.13 0.00 0.00 31.29 30.85 3ik4 h VAL 167 CO 0.00 0.28 -0.77 -0.62 -1.23 0.00 0.00 177.57 175.23 3ik4 s ASP 168 N -6.02 3.67 0.20 4.19 2.15 -1.26 -5.01 116.67 114.59 3ik4 s ASP 168 Ca 0.01 -2.02 -0.12 0.00 0.43 0.00 0.00 52.55 50.86 3ik4 s ASP 168 Cb 0.08 -0.79 0.23 0.00 -0.30 0.00 0.00 42.92 42.15 3ik4 s ASP 168 CO 0.77 -0.35 1.70 0.58 -0.17 0.00 0.00 175.17 177.69 3ik4 h VAL 169 N 5.82 0.64 -0.19 1.11 2.07 -1.92 -1.08 116.25 122.69 3ik4 h VAL 169 Ca -0.07 -0.07 0.02 0.00 0.82 0.00 0.00 66.70 67.40 3ik4 h VAL 169 Cb 0.98 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 31.16 3ik4 h VAL 169 CO 0.43 0.04 0.07 0.00 0.02 0.00 0.00 177.57 178.13 3ik4 h ALA 170 N 1.45 0.22 -0.39 1.67 0.00 -1.99 0.44 119.26 120.66 3ik4 h ALA 170 Ca 0.28 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.16 3ik4 h ALA 170 Cb 0.41 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 3ik4 h ALA 170 CO -0.40 -0.35 0.10 -0.92 0.00 0.00 0.00 179.25 177.68 3ik4 h TYR 171 N 0.17 0.66 -0.12 0.00 3.20 -1.90 -1.85 116.97 117.13 3ik4 h TYR 171 Ca 0.08 -0.08 0.04 0.00 3.14 0.00 0.00 58.73 61.91 3ik4 h TYR 171 Cb 0.04 -0.19 -0.04 0.00 1.54 0.00 0.00 36.73 38.09 3ik4 h TYR 171 CO -0.11 0.63 -0.10 -0.44 -1.64 0.00 0.00 178.16 176.51 3ik4 h ASP 172 N 0.49 -0.31 -0.56 -2.11 5.19 -1.00 -1.25 116.42 116.86 3ik4 h ASP 172 Ca 0.12 0.07 0.05 0.00 -0.62 0.00 0.00 57.03 56.64 3ik4 h ASP 172 Cb 0.31 0.16 -0.05 0.00 0.18 0.00 0.00 39.33 39.93 3ik4 h ASP 172 CO 0.00 -0.13 0.30 -0.07 -3.12 0.00 0.00 179.24 176.22 3ik4 h LEU 173 N -0.11 0.44 -1.30 1.55 3.38 -0.87 -1.47 115.31 116.93 3ik4 h LEU 173 Ca 0.08 0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.09 3ik4 h LEU 173 Cb 0.23 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 40.88 3ik4 h LEU 173 CO -0.19 0.30 0.48 0.00 0.09 0.00 0.00 178.44 179.12 3ik4 h ALA 174 N 1.29 1.52 -0.48 1.53 0.00 -0.97 0.19 119.26 122.33 3ik4 h ALA 174 Ca 0.24 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.04 3ik4 h ALA 174 Cb 0.13 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3ik4 h ALA 174 CO -0.16 0.43 0.05 0.00 0.00 0.00 0.00 179.25 179.58 3ik4 h ARG 175 N 0.95 0.81 -0.25 0.00 3.08 -0.69 -2.75 114.38 115.54 3ik4 h ARG 175 Ca 0.27 -0.23 -0.04 0.00 0.07 0.00 0.00 59.98 60.06 3ik4 h ARG 175 Cb -0.05 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 29.90 3ik4 h ARG 175 CO -0.07 0.84 0.02 -0.07 -1.07 0.00 0.00 179.97 179.61 3ik4 h LEU 176 N 0.68 0.41 -0.31 3.04 3.38 -0.29 -2.27 115.31 119.96 3ik4 h LEU 176 Ca 0.14 -0.29 0.07 0.00 0.09 0.00 0.00 57.88 57.89 3ik4 h LEU 176 Cb 0.44 -0.11 -0.08 0.00 0.09 0.00 0.00 40.66 40.99 3ik4 h LEU 176 CO 0.02 0.60 -0.36 0.03 0.09 0.00 0.00 178.44 178.81 3ik4 h ARG 177 N 0.21 -0.32 -0.09 1.13 3.08 -0.69 0.23 114.38 117.92 3ik4 h ARG 177 Ca 0.07 0.02 0.04 0.00 0.07 0.00 0.00 59.98 60.18 3ik4 h ARG 177 Cb 0.38 0.07 -0.04 0.00 0.08 0.00 0.00 29.97 30.46 3ik4 h ARG 177 CO 0.01 -0.21 -0.17 0.00 -1.07 0.00 0.00 179.97 178.53 3ik4 h ALA 178 N 0.52 -0.12 -0.51 0.04 0.00 -1.47 0.10 119.26 117.82 3ik4 h ALA 178 Ca 0.14 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 3ik4 h ALA 178 Cb 0.56 0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 3ik4 h ALA 178 CO -0.49 -0.63 0.31 0.82 0.00 0.00 0.00 179.25 179.26 3ik4 h ILE 179 N -0.23 1.16 -0.69 0.00 2.04 -1.00 0.63 117.51 119.41 3ik4 h ILE 179 Ca 0.08 -0.35 -0.08 0.00 1.00 0.00 0.00 64.86 65.52 3ik4 h ILE 179 Cb 0.35 0.46 -0.03 0.00 -0.74 0.00 0.00 36.82 36.86 3ik4 h ILE 179 CO -0.23 0.16 0.13 -0.74 0.00 0.00 0.00 178.15 177.47 3ik4 h HIS 180 N 0.69 1.19 -0.77 1.37 2.76 -0.29 -0.03 115.15 120.07 3ik4 h HIS 180 Ca 0.18 -0.16 -0.06 0.00 -2.20 0.00 0.00 60.37 58.14 3ik4 h HIS 180 Cb -0.01 -0.33 -0.03 0.00 1.55 0.00 0.00 27.41 28.58 3ik4 h HIS 180 CO -0.03 0.99 0.26 0.37 -1.30 0.00 0.00 177.93 178.22 3ik4 h GLN 181 N 1.06 1.18 0.03 5.26 4.15 -0.27 -3.04 115.11 123.47 3ik4 h GLN 181 Ca 0.21 -0.24 -0.22 0.00 0.77 0.00 0.00 58.65 59.18 3ik4 h GLN 181 Cb 0.42 -0.18 -0.01 0.00 0.21 0.00 0.00 27.48 27.92 3ik4 h GLN 181 CO 0.01 0.98 -0.97 0.00 -1.93 0.00 0.00 178.83 176.93 3ik4 h ALA 182 N 1.14 0.41 -3.07 3.38 0.00 -0.76 -3.40 119.26 116.96 3ik4 h ALA 182 Ca 0.25 -0.78 -0.60 0.00 0.00 0.00 0.00 54.91 53.78 3ik4 h ALA 182 Cb 0.28 -0.07 -0.40 0.00 0.00 0.00 0.00 17.79 17.61 3ik4 h ALA 182 CO -0.01 0.96 -0.74 0.00 0.00 0.00 0.00 179.25 179.46 3ik4 s ALA 183 N -3.04 1.99 -0.00 0.00 0.00 -0.04 -4.56 121.76 116.11 3ik4 s ALA 183 Ca -0.03 -2.31 -0.02 0.00 0.00 0.00 0.00 51.96 49.61 3ik4 s ALA 183 Cb 0.09 -1.81 -0.27 0.00 0.00 0.00 0.00 23.12 21.13 3ik4 s ALA 183 CO 0.84 -1.93 0.82 -1.00 0.00 0.00 0.00 175.76 174.50 3ik4 h PRO 184 N 7.19 0.22 -0.56 0.00 0.14 -1.76 -3.31 132.00 133.93 3ik4 h PRO 184 Ca -0.05 -0.38 0.00 0.00 0.14 0.00 0.00 66.00 65.71 3ik4 h PRO 184 Cb 0.96 0.14 0.00 0.00 0.14 0.00 0.00 31.00 32.24 3ik4 h PRO 184 CO 0.48 1.07 0.00 0.25 0.14 0.00 0.00 178.00 179.93 3ik4 n THR 185 N -3.42 0.74 -2.84 1.56 -2.24 -1.26 -4.93 114.28 101.88 3ik4 n THR 185 Ca -0.17 -0.77 -0.42 0.00 -2.27 0.00 0.00 64.05 60.43 3ik4 n THR 185 Cb 1.04 0.45 -0.04 0.00 -2.10 0.00 0.00 70.33 69.68 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 -1.26 3.58 0.39 6.98 0.00 -1.24 -4.97 121.76 125.23 3ik4 s ALA 186 Ca 0.39 0.02 -0.28 0.00 0.00 0.00 0.00 51.96 52.10 3ik4 s ALA 186 Cb 0.21 -3.31 -0.10 0.00 0.00 0.00 0.00 23.12 19.92 3ik4 s ALA 186 CO 0.27 -0.79 1.46 -2.14 0.00 0.00 0.00 175.76 174.56 3ik4 s PRO 187 N 2.52 4.05 -0.22 0.00 0.02 -1.26 -4.86 135.00 135.24 3ik4 s PRO 187 Ca 0.39 2.51 -0.03 0.00 0.02 0.00 0.00 61.00 63.88 3ik4 s PRO 187 Cb -0.16 -2.91 0.00 0.00 0.02 0.00 0.00 34.50 31.45 3ik4 s PRO 187 CO 0.10 -0.56 -0.06 -0.51 -0.33 0.00 0.00 177.00 175.64 3ik4 s LEU 188 N -2.20 2.89 -0.24 -5.54 1.43 -0.24 -2.30 118.68 112.48 3ik4 s LEU 188 Ca 0.54 -0.55 -0.10 0.00 -1.03 0.00 0.00 54.13 52.99 3ik4 s LEU 188 Cb -0.45 -1.69 -0.05 0.00 0.03 0.00 0.00 46.19 44.03 3ik4 s LEU 188 CO 0.61 -0.05 0.15 -0.51 0.23 0.00 0.00 176.35 176.78 3ik4 s ILE 189 N 1.42 5.22 -0.25 -0.59 1.10 -0.35 -0.54 121.20 127.21 3ik4 s ILE 189 Ca 0.04 0.13 -0.05 0.00 -0.51 0.00 0.00 60.65 60.27 3ik4 s ILE 189 Cb -0.15 -3.44 0.00 0.00 0.15 0.00 0.00 42.46 39.03 3ik4 s ILE 189 CO -0.05 0.34 0.00 -0.69 -2.11 0.00 0.00 174.94 172.43 3ik4 s VAL 190 N 1.18 3.53 -0.49 4.00 1.01 0.22 -0.36 120.40 129.48 3ik4 s VAL 190 Ca 0.07 -0.66 -0.20 0.00 0.00 0.00 0.00 61.98 61.20 3ik4 s VAL 190 Cb -0.14 -2.73 0.05 0.00 0.00 0.00 0.00 36.38 33.56 3ik4 s VAL 190 CO 0.05 0.25 0.64 -0.62 0.00 0.00 0.00 175.10 175.42 3ik4 s ASP 191 N 1.46 6.25 0.22 3.32 -1.08 0.97 0.40 116.67 128.22 3ik4 s ASP 191 Ca 0.03 -0.73 0.26 0.00 -0.52 0.00 0.00 52.55 51.59 3ik4 s ASP 191 Cb -0.16 -2.30 0.83 0.00 -1.46 0.00 0.00 42.92 39.83 3ik4 s ASP 191 CO -0.01 -0.87 1.77 0.61 0.52 0.00 0.00 175.17 177.19 3ik4 n GLY 192 N 5.13 -1.66 4.04 2.66 0.00 -0.21 -0.69 105.19 114.46 3ik4 n GLY 192 Ca -0.05 -0.01 -0.30 0.00 0.00 0.00 0.00 46.02 45.67 3ik4 n GLY 192 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3ik4 n ASN 193 N -2.28 -1.94 -0.58 1.61 5.15 -1.07 -1.78 115.26 114.37 3ik4 n ASN 193 Ca 0.05 -0.98 -0.08 0.00 -0.60 0.00 0.00 54.58 52.98 3ik4 n ASN 193 Cb 0.41 -3.08 -0.03 0.00 -0.53 0.00 0.00 39.78 36.54 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 -1.55 0.00 0.00 -0.60 -3.27 103.07 97.65 3ik4 h GLY 195 Ca -0.16 0.00 -0.49 0.00 0.00 0.00 0.00 47.33 46.69 3ik4 h GLY 195 CO 0.23 0.00 0.23 -0.19 0.00 0.00 0.00 176.54 176.81 3ik4 s TYR 196 N -3.09 3.38 0.35 5.60 2.02 0.32 -4.04 117.35 121.88 3ik4 s TYR 196 Ca -0.02 0.83 0.03 0.00 -0.37 0.00 0.00 57.07 57.55 3ik4 s TYR 196 Cb 0.09 -2.70 0.03 0.00 -0.40 0.00 0.00 41.96 38.98 3ik4 s TYR 196 CO 0.80 -0.75 0.25 -0.40 -1.57 0.00 0.00 175.55 173.87 3ik4 n ASP 197 N -2.61 2.17 0.11 2.29 3.85 -1.26 -4.31 116.55 116.79 3ik4 n ASP 197 Ca 0.04 -2.23 -0.13 0.00 -0.71 0.00 0.00 54.79 51.76 3ik4 n ASP 197 Cb 0.57 -0.01 -0.07 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 0.64 0.78 0.01 2.12 2.07 -1.97 0.29 116.25 120.20 3ik4 h VAL 198 Ca -0.23 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.30 3ik4 h VAL 198 Cb 0.82 0.78 -0.01 0.00 -1.52 0.00 0.00 31.29 31.35 3ik4 h VAL 198 CO 0.36 0.00 -0.07 1.05 0.02 0.00 0.00 177.57 178.93 3ik4 h GLU 199 N -0.24 -0.13 -0.42 1.57 4.11 -1.98 0.72 114.58 118.21 3ik4 h GLU 199 Ca -0.01 0.01 -0.03 0.00 0.07 0.00 0.00 59.36 59.40 3ik4 h GLU 199 Cb 0.21 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 3ik4 h GLU 199 CO -0.00 -0.08 0.14 0.00 0.07 0.00 0.00 179.01 179.13 3ik4 h ARG 200 N -0.13 0.61 -0.23 1.06 3.08 -1.94 0.41 114.38 117.24 3ik4 h ARG 200 Ca 0.02 -0.09 -0.10 0.00 0.07 0.00 0.00 59.98 59.88 3ik4 h ARG 200 Cb 0.16 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 30.10 3ik4 h ARG 200 CO -0.06 0.54 -0.25 0.00 -1.07 0.00 0.00 179.97 179.12 3ik4 h ALA 201 N 1.55 0.34 -0.37 0.04 0.00 -0.52 -1.84 119.26 118.45 3ik4 h ALA 201 Ca 0.14 -0.38 -0.10 0.00 0.00 0.00 0.00 54.91 54.58 3ik4 h ALA 201 Cb 0.18 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3ik4 h ALA 201 CO -0.01 0.31 -0.14 -0.07 0.00 0.00 0.00 179.25 179.34 3ik4 h LEU 202 N 0.26 0.78 -1.06 0.00 3.38 -0.64 -1.56 115.31 116.47 3ik4 h LEU 202 Ca 0.03 -0.39 -0.07 0.00 0.09 0.00 0.00 57.88 57.55 3ik4 h LEU 202 Cb 0.81 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.33 3ik4 h LEU 202 CO 0.06 0.99 -0.06 0.00 0.09 0.00 0.00 178.44 179.52 3ik4 h ALA 203 N 0.81 1.22 -0.30 1.53 0.00 -0.97 0.15 119.26 121.70 3ik4 h ALA 203 Ca 0.09 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 3ik4 h ALA 203 Cb 0.68 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 3ik4 h ALA 203 CO 0.05 0.51 0.10 0.35 0.00 0.00 0.00 179.25 180.25 3ik4 h PHE 204 N 0.56 0.48 -0.33 0.00 3.04 -1.22 -2.62 116.94 116.84 3ik4 h PHE 204 Ca 0.11 -0.05 -0.07 0.00 3.98 0.00 0.00 57.97 61.94 3ik4 h PHE 204 Cb 0.45 -0.14 -0.01 0.00 2.56 0.00 0.00 35.95 38.81 3ik4 h PHE 204 CO 0.02 0.49 -0.07 0.00 -2.02 0.00 0.00 178.31 176.73 3ik4 h ALA 206 N 0.81 1.18 -0.35 0.00 0.00 -0.74 0.46 119.26 120.63 3ik4 h ALA 206 Ca 0.09 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.83 3ik4 h ALA 206 Cb 0.56 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 3ik4 h ALA 206 CO 0.03 0.24 -0.42 0.00 0.00 0.00 0.00 179.25 179.10 3ik4 h ALA 207 N 1.42 0.53 -0.63 0.00 0.00 -1.43 -0.22 119.26 118.91 3ik4 h ALA 207 Ca 0.38 -0.47 0.03 0.00 0.00 0.00 0.00 54.91 54.85 3ik4 h ALA 207 Cb 0.21 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 3ik4 h ALA 207 CO -0.19 0.66 0.39 0.00 0.00 0.00 0.00 179.25 180.11 3ik4 h LYS 209 N 0.77 0.54 -0.67 0.00 3.64 -0.79 0.63 116.57 120.69 3ik4 h LYS 209 Ca 0.25 -0.17 -0.02 0.00 -1.27 0.00 0.00 60.65 59.45 3ik4 h LYS 209 Cb 0.02 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 31.75 3ik4 h LYS 209 CO -0.10 0.67 0.35 0.00 -2.27 0.00 0.00 179.45 178.10 3ik4 h ALA 210 N 0.85 1.35 -0.19 5.00 0.00 -0.79 -1.90 119.26 123.59 3ik4 h ALA 210 Ca 0.09 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3ik4 h ALA 210 Cb 0.42 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3ik4 h ALA 210 CO 0.01 0.52 0.00 0.39 0.00 0.00 0.00 179.25 180.17 3ik4 n GLU 211 N -4.36 1.91 -4.13 0.00 1.02 -0.18 -4.95 120.64 109.95 3ik4 n GLU 211 Ca 0.07 -1.36 -0.31 0.00 -0.02 0.00 0.00 57.16 55.54 3ik4 n GLU 211 Cb 0.11 -1.43 -0.03 0.00 -0.02 0.00 0.00 31.44 30.07 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 0.59 -1.56 -4.68 1.62 3.41 -0.71 -4.96 113.62 107.33 3ik4 n SER 212 Ca 0.17 -1.04 -0.43 0.00 -0.26 0.00 0.00 58.87 57.31 3ik4 n SER 212 Cb 0.40 -2.73 -0.02 0.00 -0.26 0.00 0.00 64.21 61.59 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 -3.69 4.40 -1.08 -1.33 1.01 0.21 -4.94 121.20 115.78 3ik4 s ILE 213 Ca 0.35 1.70 -0.07 0.00 0.00 0.00 0.00 60.65 62.63 3ik4 s ILE 213 Cb -0.19 -4.10 -0.06 0.00 0.01 0.00 0.00 42.46 38.12 3ik4 s ILE 213 CO 0.92 -0.06 2.96 -0.81 0.00 0.00 0.00 174.94 177.95 3ik4 n PRO 214 N 5.67 3.41 -1.97 2.79 -0.04 -1.26 -4.62 135.00 138.97 3ik4 n PRO 214 Ca 0.11 -2.25 -0.42 0.00 -0.04 0.00 0.00 63.50 60.90 3ik4 n PRO 214 Cb 0.46 -2.52 -0.03 0.00 -0.04 0.00 0.00 33.50 31.38 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 0.72 4.09 0.00 0.54 1.75 -1.26 -1.07 119.30 124.07 3ik4 s MET 215 Ca 0.64 2.16 0.19 0.00 -1.25 0.00 0.00 55.69 57.43 3ik4 s MET 215 Cb 0.23 -4.02 0.03 0.00 2.84 0.00 0.00 34.83 33.91 3ik4 s MET 215 CO -0.07 -0.96 1.00 1.33 -0.65 0.00 0.00 175.02 175.66 3ik4 n VAL 216 N 5.69 0.00 -3.64 10.11 0.24 0.30 -4.89 118.33 126.14 3ik4 n VAL 216 Ca 0.18 -0.35 -0.06 0.00 -2.04 0.00 0.00 64.34 62.07 3ik4 n VAL 216 Cb 0.43 1.27 -0.07 0.00 -1.47 0.00 0.00 33.84 34.00 3ik4 n VAL 216 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 3ik4 s LEU 217 N -2.09 -0.89 -0.39 1.34 2.96 -1.23 -4.46 118.68 113.91 3ik4 s LEU 217 Ca 0.17 1.42 -0.06 0.00 -0.22 0.00 0.00 54.13 55.45 3ik4 s LEU 217 Cb 0.16 2.30 0.08 0.00 0.50 0.00 0.00 46.19 49.22 3ik4 s LEU 217 CO 0.42 -0.22 0.18 0.12 -1.32 0.00 0.00 176.35 175.53 3ik4 s PHE 218 N 1.63 3.40 -0.24 5.38 5.36 -0.01 -0.61 117.98 132.89 3ik4 s PHE 218 Ca -0.10 -1.87 -0.16 0.00 -0.96 0.00 0.00 56.93 53.85 3ik4 s PHE 218 Cb -0.05 -2.84 -0.04 0.00 -0.34 0.00 0.00 43.02 39.75 3ik4 s PHE 218 CO -0.19 -0.87 0.40 -2.00 -1.46 0.00 0.00 175.22 171.09 3ik4 s GLU 219 N 1.30 4.09 -0.73 10.12 2.12 0.16 -1.40 118.70 134.37 3ik4 s GLU 219 Ca 0.03 0.14 -0.07 0.00 0.36 0.00 0.00 54.97 55.42 3ik4 s GLU 219 Cb -0.22 -3.60 0.01 0.00 0.26 0.00 0.00 34.13 30.58 3ik4 s GLU 219 CO -0.00 -0.18 0.48 0.94 -0.54 0.00 0.00 175.26 175.96 3ik4 n GLN 220 N 4.97 -1.00 0.13 4.30 -0.06 -0.07 -1.05 117.38 124.61 3ik4 n GLN 220 Ca -0.08 0.41 -0.01 0.00 -2.00 0.00 0.00 57.00 55.32 3ik4 n GLN 220 Cb 0.51 -1.72 0.13 0.00 -4.06 0.00 0.00 30.24 25.10 3ik4 n GLN 220 CO 0.00 0.00 0.00 -1.35 -0.20 0.00 0.00 177.06 175.51 3ik4 h PRO 221 N -0.38 0.00 -6.11 3.69 0.11 -1.85 0.19 132.00 127.66 3ik4 h PRO 221 Ca -0.52 0.00 -0.56 0.00 0.11 0.00 0.00 66.00 65.03 3ik4 h PRO 221 Cb 1.10 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 32.12 3ik4 h PRO 221 CO 0.32 0.64 -0.60 -0.51 -0.21 0.00 0.00 178.00 177.64 3ik4 s LEU 222 N -7.25 3.14 0.73 2.35 1.02 -1.26 -0.52 118.68 116.88 3ik4 s LEU 222 Ca -0.00 -0.80 -0.15 0.00 0.02 0.00 0.00 54.13 53.21 3ik4 s LEU 222 Cb 0.11 -1.61 0.04 0.00 0.02 0.00 0.00 46.19 44.75 3ik4 s LEU 222 CO 0.76 -0.17 1.18 -2.84 0.02 0.00 0.00 176.35 175.30 3ik4 s PRO 223 N -3.74 2.23 0.29 1.29 0.02 -1.23 -4.25 135.00 129.61 3ik4 s PRO 223 Ca 0.35 1.65 0.04 0.00 0.02 0.00 0.00 61.00 63.05 3ik4 s PRO 223 Cb -0.03 -1.86 0.70 0.00 0.02 0.00 0.00 34.50 33.33 3ik4 s PRO 223 CO 0.21 -1.74 1.74 -0.09 -0.33 0.00 0.00 177.00 176.78 3ik4 h ARG 224 N -0.33 0.55 0.00 5.54 2.43 -1.94 -2.33 114.38 118.31 3ik4 h ARG 224 Ca -0.47 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 58.64 3ik4 h ARG 224 Cb 1.28 -0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 30.70 3ik4 h ARG 224 CO 0.50 0.36 -0.12 1.05 -1.51 0.00 0.00 179.97 180.25 3ik4 h GLU 225 N 0.57 0.00 -3.71 0.20 9.09 -1.97 -3.28 114.58 115.47 3ik4 h GLU 225 Ca 0.55 0.00 -0.72 0.00 0.05 0.00 0.00 59.36 59.24 3ik4 h GLU 225 Cb 0.94 0.00 -0.07 0.00 -1.65 0.00 0.00 28.75 27.97 3ik4 h GLU 225 CO -0.44 0.12 2.85 -3.47 0.05 0.00 0.00 179.01 178.12 3ik4 n ASP 226 N -3.25 4.81 -0.20 3.06 4.64 -0.88 -4.69 116.55 120.04 3ik4 n ASP 226 Ca 0.01 -2.91 -0.06 0.00 -1.38 0.00 0.00 54.79 50.45 3ik4 n ASP 226 Cb 0.39 -1.59 0.04 0.00 -1.04 0.00 0.00 41.12 38.93 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 5.78 0.69 -0.29 -0.67 4.06 -1.80 -1.09 115.95 122.63 3ik4 h TRP 227 Ca 0.55 0.02 -0.04 0.00 2.06 0.00 0.00 58.89 61.48 3ik4 h TRP 227 Cb 0.59 -0.23 -0.01 0.00 -1.00 0.00 0.00 29.16 28.51 3ik4 h TRP 227 CO 1.44 0.42 0.02 0.00 -3.56 0.00 0.00 178.44 176.76 3ik4 h ALA 228 N 1.23 0.39 -0.85 1.49 0.00 -1.94 -1.80 119.26 117.78 3ik4 h ALA 228 Ca 0.22 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3ik4 h ALA 228 Cb -0.04 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.60 3ik4 h ALA 228 CO -0.07 0.12 0.46 0.78 0.00 0.00 0.00 179.25 180.53 3ik4 h GLY 229 N 0.30 1.28 1.00 0.00 0.00 -1.92 -0.48 103.07 103.25 3ik4 h GLY 229 Ca 0.08 -0.59 0.00 0.00 0.00 0.00 0.00 47.33 46.83 3ik4 h GLY 229 CO 0.01 0.56 0.32 -0.33 0.00 0.00 0.00 176.54 177.10 3ik4 h MET 230 N 1.20 0.67 -0.68 4.80 2.07 -1.08 -1.66 114.93 120.25 3ik4 h MET 230 Ca 0.30 -0.05 -0.04 0.00 -2.07 0.00 0.00 59.70 57.83 3ik4 h MET 230 Cb 0.04 -0.15 -0.03 0.00 -1.87 0.00 0.00 31.60 29.60 3ik4 h MET 230 CO -0.05 0.47 0.25 0.00 1.07 0.00 0.00 176.91 178.66 3ik4 h ALA 231 N 1.16 0.89 -0.47 6.32 0.00 -0.93 -0.79 119.26 125.44 3ik4 h ALA 231 Ca 0.18 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 3ik4 h ALA 231 Cb -0.04 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 3ik4 h ALA 231 CO -0.04 0.53 0.14 0.37 0.00 0.00 0.00 179.25 180.25 3ik4 h GLN 232 N 0.98 0.73 -0.63 0.00 4.15 -0.91 0.55 115.11 119.98 3ik4 h GLN 232 Ca 0.23 -0.16 -0.04 0.00 0.77 0.00 0.00 58.65 59.44 3ik4 h GLN 232 Cb 0.24 -0.10 -0.03 0.00 0.21 0.00 0.00 27.48 27.80 3ik4 h GLN 232 CO -0.02 0.70 0.22 0.28 -1.93 0.00 0.00 178.83 178.09 3ik4 h VAL 233 N 0.62 1.24 -0.58 2.39 2.07 -1.20 -1.32 116.25 119.47 3ik4 h VAL 233 Ca 0.15 -0.79 0.00 0.00 0.82 0.00 0.00 66.70 66.88 3ik4 h VAL 233 Cb 0.28 0.57 -0.03 0.00 -1.52 0.00 0.00 31.29 30.59 3ik4 h VAL 233 CO -0.00 0.31 0.37 0.74 0.02 0.00 0.00 177.57 179.01 3ik4 h THR 234 N 0.90 1.16 -0.15 2.57 2.02 -0.82 -2.17 112.91 116.42 3ik4 h THR 234 Ca 0.21 -0.31 -0.19 0.00 0.77 0.00 0.00 66.41 66.89 3ik4 h THR 234 Cb 0.25 0.33 0.01 0.00 -1.74 0.00 0.00 68.15 67.00 3ik4 h THR 234 CO -0.01 0.15 -0.64 0.00 0.37 0.00 0.00 175.52 175.39 3ik4 h ALA 235 N 1.20 0.27 0.00 6.16 0.00 -0.73 -3.40 119.26 122.77 3ik4 h ALA 235 Ca 0.21 -0.55 -0.17 0.00 0.00 0.00 0.00 54.91 54.40 3ik4 h ALA 235 Cb -0.07 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 3ik4 h ALA 235 CO -0.04 0.55 -2.02 1.04 0.00 0.00 0.00 179.25 178.78 3ik4 n GLN 236 N -4.07 0.92 0.17 0.00 1.13 -0.51 -4.65 117.38 110.37 3ik4 n GLN 236 Ca -0.07 -0.08 0.03 0.00 -1.94 0.00 0.00 57.00 54.93 3ik4 n GLN 236 Cb 0.67 -1.44 0.30 0.00 0.11 0.00 0.00 30.24 29.89 3ik4 n GLN 236 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 3ik4 h SER 237 N 0.00 0.00 0.00 1.08 4.64 -1.58 -3.47 113.55 114.22 3ik4 h SER 237 Ca -0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.07 3ik4 h SER 237 Cb 1.50 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.59 3ik4 h SER 237 CO 0.01 0.45 0.00 0.61 -0.87 0.00 0.00 176.83 177.03 3ik4 n GLY 238 N 0.02 0.74 3.39 -0.77 0.00 -1.26 -4.77 105.19 102.55 3ik4 n GLY 238 Ca -0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.71 2.43 0.11 1.61 0.40 -1.26 -5.11 117.98 113.46 3ik4 s PHE 239 Ca 0.00 -0.34 -0.34 0.00 -0.60 0.00 0.00 56.93 55.65 3ik4 s PHE 239 Cb 0.00 -1.44 -0.14 0.00 0.51 0.00 0.00 43.02 41.96 3ik4 s PHE 239 CO 0.00 0.17 1.62 0.00 0.70 0.00 0.00 175.22 177.71 3ik4 n ALA 240 N 1.75 1.18 -2.79 5.36 0.00 -1.26 -4.84 120.51 119.91 3ik4 n ALA 240 Ca -0.17 0.42 -0.33 0.00 0.00 0.00 0.00 53.44 53.36 3ik4 n ALA 240 Cb 0.52 -2.37 -0.13 0.00 0.00 0.00 0.00 19.45 17.47 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 1.45 3.22 -0.05 0.00 1.01 -1.26 -0.83 120.40 123.94 3ik4 s VAL 241 Ca 0.81 -0.63 -0.02 0.00 0.00 0.00 0.00 61.98 62.14 3ik4 s VAL 241 Cb -0.69 -2.32 -0.04 0.00 0.00 0.00 0.00 36.38 33.33 3ik4 s VAL 241 CO 0.41 0.55 0.08 0.00 0.00 0.00 0.00 175.10 176.14 3ik4 s ALA 242 N -0.18 3.59 -0.23 5.51 0.00 -0.49 -0.70 121.76 129.26 3ik4 s ALA 242 Ca 0.01 -0.80 -0.10 0.00 0.00 0.00 0.00 51.96 51.06 3ik4 s ALA 242 Cb -0.13 -1.65 -0.05 0.00 0.00 0.00 0.00 23.12 21.29 3ik4 s ALA 242 CO 0.03 0.66 0.15 0.00 0.00 0.00 0.00 175.76 176.59 3ik4 s ALA 243 N -1.10 3.60 0.00 0.00 0.00 0.46 -0.89 121.76 123.84 3ik4 s ALA 243 Ca 0.19 -0.84 0.00 0.00 0.00 0.00 0.00 51.96 51.31 3ik4 s ALA 243 Cb -0.12 -2.26 0.00 0.00 0.00 0.00 0.00 23.12 20.74 3ik4 s ALA 243 CO 0.10 -0.10 0.00 -3.47 0.00 0.00 0.00 175.76 172.28 3ik4 n ASP 244 N 4.09 0.00 0.24 0.00 2.03 -1.26 -0.92 116.55 120.73 3ik4 n ASP 244 Ca -0.15 0.00 0.09 0.00 0.52 0.00 0.00 54.79 55.25 3ik4 n ASP 244 Cb 0.52 -0.02 0.59 0.00 -0.72 0.00 0.00 41.12 41.49 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 -0.69 114.58 114.36 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 0.19 0.00 0.43 -1.40 0.00 0.00 179.01 178.23 3ik4 n SER 246 N -3.81 0.02 -3.61 1.42 7.64 -1.26 -4.27 113.62 109.75 3ik4 n SER 246 Ca -0.02 0.50 -0.27 0.00 1.01 0.00 0.00 58.87 60.09 3ik4 n SER 246 Cb 0.29 -0.51 -0.10 0.00 -1.01 0.00 0.00 64.21 62.89 3ik4 n SER 246 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3ik4 n ALA 247 N -1.51 3.77 0.69 -0.43 0.00 -0.26 -4.72 120.51 118.06 3ik4 n ALA 247 Ca 0.05 -4.63 0.07 0.00 0.00 0.00 0.00 53.44 48.93 3ik4 n ALA 247 Cb 0.27 -0.95 -0.04 0.00 0.00 0.00 0.00 19.45 18.73 3ik4 n ALA 247 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3ik4 n ARG 248 N 1.32 1.92 -3.96 0.00 5.12 -1.26 -4.85 116.66 114.94 3ik4 n ARG 248 Ca 0.26 -0.40 -0.10 0.00 -1.93 0.00 0.00 57.85 55.68 3ik4 n ARG 248 Cb 0.39 -1.23 -0.06 0.00 -1.16 0.00 0.00 32.46 30.40 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 -2.12 -0.01 0.35 0.55 1.04 -1.26 -4.36 113.70 107.88 3ik4 s SER 249 Ca 0.09 -0.88 0.06 0.00 0.48 0.00 0.00 55.95 55.70 3ik4 s SER 249 Cb 0.12 0.48 0.65 0.00 0.10 0.00 0.00 66.02 67.37 3ik4 s SER 249 CO 0.50 -0.96 1.88 0.00 0.98 0.00 0.00 173.24 175.63 3ik4 h ALA 250 N 2.45 1.40 -0.59 5.32 0.00 -1.94 -2.18 119.26 123.71 3ik4 h ALA 250 Ca -0.30 -0.22 0.04 0.00 0.00 0.00 0.00 54.91 54.43 3ik4 h ALA 250 Cb 1.24 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.86 3ik4 h ALA 250 CO 0.44 0.42 0.34 1.25 0.00 0.00 0.00 179.25 181.70 3ik4 h HIS 251 N 0.39 0.64 -0.47 0.00 -0.00 -1.97 -0.14 115.15 113.60 3ik4 h HIS 251 Ca 0.08 0.02 0.04 0.00 -0.00 0.00 0.00 60.37 60.51 3ik4 h HIS 251 Cb 0.38 -0.20 -0.04 0.00 -0.00 0.00 0.00 27.41 27.55 3ik4 h HIS 251 CO 0.01 0.34 0.24 -0.44 -0.00 0.00 0.00 177.93 178.08 3ik4 h ASP 252 N 0.66 0.34 -0.43 3.26 3.45 -1.76 -1.68 116.42 120.26 3ik4 h ASP 252 Ca 0.25 0.03 -0.09 0.00 0.43 0.00 0.00 57.03 57.65 3ik4 h ASP 252 Cb 0.08 -0.04 -0.02 0.00 -0.56 0.00 0.00 39.33 38.79 3ik4 h ASP 252 CO -0.13 0.24 -0.04 0.58 -1.57 0.00 0.00 179.24 178.32 3ik4 h VAL 253 N 0.47 1.26 -0.43 -1.35 2.07 -0.77 0.91 116.25 118.41 3ik4 h VAL 253 Ca 0.20 -1.11 -0.00 0.00 0.82 0.00 0.00 66.70 66.61 3ik4 h VAL 253 Cb 0.11 0.92 -0.02 0.00 -1.52 0.00 0.00 31.29 30.78 3ik4 h VAL 253 CO -0.14 0.39 0.25 -0.07 0.02 0.00 0.00 177.57 178.02 3ik4 h LEU 254 N 0.79 0.52 -0.24 2.57 3.38 -0.93 -0.71 115.31 120.70 3ik4 h LEU 254 Ca 0.14 -0.07 0.03 0.00 0.09 0.00 0.00 57.88 58.08 3ik4 h LEU 254 Cb 0.54 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.13 3ik4 h LEU 254 CO 0.03 0.44 0.05 -0.09 0.09 0.00 0.00 178.44 178.95 3ik4 h ARG 255 N 0.56 0.14 -0.18 1.13 2.43 -0.87 -1.71 114.38 115.88 3ik4 h ARG 255 Ca 0.15 -0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.36 3ik4 h ARG 255 Cb 0.02 -0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 29.49 3ik4 h ARG 255 CO -0.03 0.09 -0.13 0.82 -1.51 0.00 0.00 179.97 179.21 3ik4 h ILE 256 N 0.14 0.62 -1.00 1.20 2.04 -0.56 0.27 117.51 120.21 3ik4 h ILE 256 Ca 0.11 0.00 0.13 0.00 1.00 0.00 0.00 64.86 66.10 3ik4 h ILE 256 Cb 0.11 0.62 -0.09 0.00 -0.74 0.00 0.00 36.82 36.71 3ik4 h ILE 256 CO -0.14 0.00 0.63 0.00 0.00 0.00 0.00 178.15 178.64 3ik4 h ALA 257 N 0.98 1.54 -0.10 1.87 0.00 -1.03 0.25 119.26 122.77 3ik4 h ALA 257 Ca 0.11 0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.93 3ik4 h ALA 257 Cb 0.30 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3ik4 h ALA 257 CO -0.27 0.20 -0.40 -0.09 0.00 0.00 0.00 179.25 178.70 3ik4 h ARG 258 N 0.97 0.45 -0.01 0.00 2.43 -0.59 -3.33 114.38 114.31 3ik4 h ARG 258 Ca 0.51 -0.35 0.00 0.00 -0.81 0.00 0.00 59.98 59.33 3ik4 h ARG 258 Cb 0.53 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.15 3ik4 h ARG 258 CO -0.28 0.98 -0.51 0.39 -1.51 0.00 0.00 179.97 179.04 3ik4 n GLU 259 N -4.33 1.05 -3.33 0.20 1.02 0.02 -4.96 120.64 110.31 3ik4 n GLU 259 Ca -0.08 -0.86 -0.17 0.00 -0.02 0.00 0.00 57.16 56.03 3ik4 n GLU 259 Cb 0.54 -1.48 0.07 0.00 -0.02 0.00 0.00 31.44 30.55 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 1.42 -0.29 0.24 0.62 0.00 0.78 -4.86 105.19 103.10 3ik4 n GLY 260 Ca 0.09 0.07 -0.02 0.00 0.00 0.00 0.00 46.02 46.16 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 -1.95 1.25 -3.38 2.61 2.02 -1.59 -3.38 112.91 108.50 3ik4 h THR 261 Ca -0.51 -1.19 -0.01 0.00 0.77 0.00 0.00 66.41 65.48 3ik4 h THR 261 Cb 1.31 1.33 -0.07 0.00 -1.74 0.00 0.00 68.15 68.98 3ik4 h THR 261 CO 0.46 0.38 0.03 0.00 0.37 0.00 0.00 175.52 176.75 3ik4 s ALA 262 N -4.53 -0.64 -0.80 6.16 0.00 -1.26 -3.41 121.76 117.28 3ik4 s ALA 262 Ca -0.06 -0.65 0.10 0.00 0.00 0.00 0.00 51.96 51.35 3ik4 s ALA 262 Cb 0.14 0.98 -0.03 0.00 0.00 0.00 0.00 23.12 24.21 3ik4 s ALA 262 CO 0.78 -0.93 0.57 -1.13 0.00 0.00 0.00 175.76 175.05 3ik4 n SER 263 N -0.44 1.01 -3.94 0.00 3.41 0.12 -4.86 113.62 108.93 3ik4 n SER 263 Ca -0.03 -1.00 -0.13 0.00 -0.26 0.00 0.00 58.87 57.45 3ik4 n SER 263 Cb 0.61 0.62 -0.13 0.00 -0.26 0.00 0.00 64.21 65.04 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 -1.52 0.23 -0.21 -3.33 1.01 -0.24 -1.15 120.40 115.20 3ik4 s VAL 264 Ca 0.07 -0.32 -0.05 0.00 0.00 0.00 0.00 61.98 61.69 3ik4 s VAL 264 Cb 0.08 -0.23 -0.02 0.00 0.00 0.00 0.00 36.38 36.20 3ik4 s VAL 264 CO 0.29 -0.06 -0.01 -0.63 0.00 0.00 0.00 175.10 174.69 3ik4 s ILE 265 N -0.38 3.82 -0.54 2.22 -1.09 0.87 -0.40 121.20 125.71 3ik4 s ILE 265 Ca -0.02 -0.35 -0.24 0.00 -2.23 0.00 0.00 60.65 57.81 3ik4 s ILE 265 Cb -0.03 -2.73 0.04 0.00 -1.58 0.00 0.00 42.46 38.16 3ik4 s ILE 265 CO -0.00 0.42 0.90 0.21 -1.23 0.00 0.00 174.94 175.24 3ik4 s ASN 266 N 1.12 6.34 -0.13 3.58 3.84 -0.09 0.35 114.94 129.94 3ik4 s ASN 266 Ca 0.02 -0.37 -0.29 0.00 0.21 0.00 0.00 52.86 52.43 3ik4 s ASN 266 Cb -0.14 -2.42 -0.01 0.00 -0.55 0.00 0.00 41.25 38.13 3ik4 s ASN 266 CO 0.01 -1.17 1.00 -0.63 -2.79 0.00 0.00 177.10 173.53 3ik4 s ILE 267 N 3.76 4.78 -0.29 -5.21 -1.09 0.87 -4.71 121.20 119.31 3ik4 s ILE 267 Ca 0.29 2.02 0.02 0.00 -2.23 0.00 0.00 60.65 60.75 3ik4 s ILE 267 Cb -0.13 -4.30 0.08 0.00 -1.58 0.00 0.00 42.46 36.53 3ik4 s ILE 267 CO 0.19 -0.02 0.01 -0.54 -1.23 0.00 0.00 174.94 173.36 3ik4 s LYS 268 N 2.18 1.41 0.50 2.79 1.02 -1.26 -1.80 119.74 124.58 3ik4 s LYS 268 Ca 0.47 -1.37 0.15 0.00 0.02 0.00 0.00 55.97 55.25 3ik4 s LYS 268 Cb -0.18 -2.71 1.21 0.00 -0.52 0.00 0.00 37.83 35.63 3ik4 s LYS 268 CO 0.16 -0.81 2.12 -0.07 -0.92 0.00 0.00 175.35 175.83 3ik4 h LEU 269 N 7.84 0.09 -2.38 3.17 3.38 -1.84 -0.39 115.31 125.17 3ik4 h LEU 269 Ca -0.12 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 3ik4 h LEU 269 Cb 1.04 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.76 3ik4 h LEU 269 CO 0.47 0.06 -0.04 -0.03 0.09 0.00 0.00 178.44 179.00 3ik4 h MET 270 N 0.10 0.00 0.00 1.13 4.05 -1.90 0.18 114.93 118.49 3ik4 h MET 270 Ca 0.06 0.00 -0.22 0.00 -0.28 0.00 0.00 59.70 59.26 3ik4 h MET 270 Cb 0.09 0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 30.86 3ik4 h MET 270 CO -0.01 0.04 -1.62 1.63 0.23 0.00 0.00 176.91 177.18 3ik4 n LYS 271 N -3.57 0.63 -0.00 0.39 4.76 -0.16 -3.26 118.16 116.95 3ik4 n LYS 271 Ca -0.02 0.20 0.02 0.00 -2.87 0.00 0.00 58.31 55.64 3ik4 n LYS 271 Cb 0.14 -1.76 -0.03 0.00 -1.84 0.00 0.00 35.03 31.53 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 -2.47 2.20 0.00 7.82 0.00 -1.12 -4.86 120.51 122.08 3ik4 n ALA 272 Ca -0.14 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.21 3ik4 n ALA 272 Cb 0.92 -0.13 0.00 0.00 0.00 0.00 0.00 19.45 20.23 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 2.10 -0.77 0.06 0.00 0.00 0.61 -4.45 105.19 102.74 3ik4 n GLY 273 Ca -0.00 -1.71 -0.09 0.00 0.00 0.00 0.00 46.02 44.22 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 1.15 -0.75 1.61 2.07 -1.88 -2.87 116.25 115.58 3ik4 h VAL 274 Ca 0.00 -1.87 0.06 0.00 0.82 0.00 0.00 66.70 65.71 3ik4 h VAL 274 Cb 0.00 2.19 -0.06 0.00 -1.52 0.00 0.00 31.29 31.90 3ik4 h VAL 274 CO 0.00 0.39 0.44 0.00 0.02 0.00 0.00 177.57 178.42 3ik4 h ALA 275 N -0.36 1.02 -0.73 1.67 0.00 -1.96 0.50 119.26 119.39 3ik4 h ALA 275 Ca -0.01 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 3ik4 h ALA 275 Cb 0.66 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 3ik4 h ALA 275 CO -0.00 0.14 0.21 1.49 0.00 0.00 0.00 179.25 181.09 3ik4 h GLU 276 N 0.80 1.15 -0.39 0.00 4.57 -1.78 -2.83 114.58 116.10 3ik4 h GLU 276 Ca 0.33 -0.26 -0.06 0.00 -1.18 0.00 0.00 59.36 58.19 3ik4 h GLU 276 Cb 0.18 -0.16 -0.02 0.00 -0.16 0.00 0.00 28.75 28.59 3ik4 h GLU 276 CO -0.18 0.99 -0.02 0.78 -1.18 0.00 0.00 179.01 179.40 3ik4 h GLY 277 N 1.10 0.68 1.31 1.92 0.00 -1.01 -1.89 103.07 105.17 3ik4 h GLY 277 Ca 0.23 -0.43 -0.03 0.00 0.00 0.00 0.00 47.33 47.10 3ik4 h GLY 277 CO -0.00 0.40 0.26 1.41 0.00 0.00 0.00 176.54 178.60 3ik4 h LEU 278 N 0.59 0.81 -0.40 3.11 3.38 -0.81 -1.62 115.31 120.38 3ik4 h LEU 278 Ca 0.12 -0.10 -0.15 0.00 0.09 0.00 0.00 57.88 57.84 3ik4 h LEU 278 Cb 0.40 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 3ik4 h LEU 278 CO 0.02 0.72 -0.33 0.11 0.09 0.00 0.00 178.44 179.04 3ik4 h LYS 279 N 0.88 0.92 -0.54 1.13 1.57 -1.19 -2.91 116.57 116.43 3ik4 h LYS 279 Ca 0.21 -0.46 -0.11 0.00 -1.87 0.00 0.00 60.65 58.42 3ik4 h LYS 279 Cb 0.15 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.45 3ik4 h LYS 279 CO -0.02 1.12 -0.09 0.52 -0.57 0.00 0.00 179.45 180.40 3ik4 h MET 280 N 0.75 1.01 -0.19 3.15 2.86 -1.12 -1.03 114.93 120.36 3ik4 h MET 280 Ca 0.07 -0.36 0.04 0.00 -2.06 0.00 0.00 59.70 57.38 3ik4 h MET 280 Cb 0.92 -0.07 -0.04 0.00 0.06 0.00 0.00 31.60 32.47 3ik4 h MET 280 CO 0.09 1.05 -0.04 0.82 1.06 0.00 0.00 176.91 179.88 3ik4 h ILE 281 N 0.91 0.82 -0.29 -1.22 2.04 -1.33 -0.34 117.51 118.09 3ik4 h ILE 281 Ca 0.14 -0.00 -0.11 0.00 1.00 0.00 0.00 64.86 65.89 3ik4 h ILE 281 Cb 0.65 0.80 -0.01 0.00 -0.74 0.00 0.00 36.82 37.53 3ik4 h ILE 281 CO 0.05 0.00 -0.27 0.00 0.00 0.00 0.00 178.15 177.93 3ik4 h ALA 282 N 1.19 0.99 0.08 1.87 0.00 -1.25 -0.35 119.26 121.79 3ik4 h ALA 282 Ca 0.09 -0.37 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 3ik4 h ALA 282 Cb 0.14 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3ik4 h ALA 282 CO -0.19 0.60 -0.04 0.82 0.00 0.00 0.00 179.25 180.44 3ik4 h ILE 283 N 0.51 1.02 -0.26 0.00 2.04 -1.05 -2.60 117.51 117.17 3ik4 h ILE 283 Ca 0.07 -0.34 0.06 0.00 1.00 0.00 0.00 64.86 65.65 3ik4 h ILE 283 Cb 0.73 1.24 -0.08 0.00 -0.74 0.00 0.00 36.82 37.97 3ik4 h ILE 283 CO 0.06 0.08 -0.29 0.00 0.00 0.00 0.00 178.15 178.00 3ik4 h ALA 284 N 0.64 -0.22 -0.12 1.87 0.00 -0.73 0.12 119.26 120.82 3ik4 h ALA 284 Ca -0.01 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 3ik4 h ALA 284 Cb 0.22 0.60 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 3ik4 h ALA 284 CO 0.02 -0.73 -0.10 1.96 0.00 0.00 0.00 179.25 180.40 3ik4 h GLN 285 N -0.30 0.18 0.01 0.00 4.20 -1.11 0.18 115.11 118.28 3ik4 h GLN 285 Ca 0.14 -0.03 -0.24 0.00 0.06 0.00 0.00 58.65 58.58 3ik4 h GLN 285 Cb 0.51 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.23 3ik4 h GLN 285 CO -0.43 0.29 -1.20 0.00 -0.67 0.00 0.00 178.83 176.83 3ik4 h ALA 286 N 1.73 0.43 0.00 3.87 0.00 -1.02 -3.00 119.26 121.26 3ik4 h ALA 286 Ca 0.04 -1.04 0.00 0.00 0.00 0.00 0.00 54.91 53.90 3ik4 h ALA 286 Cb 0.29 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.10 3ik4 h ALA 286 CO 0.02 1.31 0.00 0.00 0.00 0.00 0.00 179.25 180.57 3ik4 n ALA 287 N -2.42 2.43 -2.58 0.00 0.00 0.37 -4.93 120.51 113.38 3ik4 n ALA 287 Ca -0.05 -0.13 -0.14 0.00 0.00 0.00 0.00 53.44 53.12 3ik4 n ALA 287 Cb 0.97 -1.48 0.01 0.00 0.00 0.00 0.00 19.45 18.96 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 1.30 -0.14 3.85 0.00 0.00 -0.40 -5.03 105.19 104.78 3ik4 n GLY 288 Ca 0.12 -0.23 -0.33 0.00 0.00 0.00 0.00 46.02 45.59 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 -4.35 4.15 0.65 0.99 1.43 0.49 -5.01 118.68 117.03 3ik4 s LEU 289 Ca 0.13 1.18 -0.13 0.00 -1.03 0.00 0.00 54.13 54.28 3ik4 s LEU 289 Cb -0.06 -3.83 -0.01 0.00 0.03 0.00 0.00 46.19 42.32 3ik4 s LEU 289 CO 0.16 -0.11 1.06 -0.83 0.23 0.00 0.00 176.35 176.86 3ik4 s GLY 290 N -2.16 1.90 -0.12 -3.19 0.00 -0.30 -4.34 107.32 99.11 3ik4 s GLY 290 Ca 0.49 0.25 0.02 0.00 0.00 0.00 0.00 44.72 45.48 3ik4 s GLY 290 CO 0.19 0.57 -0.18 1.08 0.00 0.00 0.00 173.10 174.76 3ik4 s LEU 291 N -5.03 2.41 0.07 0.66 1.43 -1.26 -0.09 118.68 116.87 3ik4 s LEU 291 Ca 0.61 -0.45 0.06 0.00 -1.03 0.00 0.00 54.13 53.31 3ik4 s LEU 291 Cb -0.15 -1.52 -0.04 0.00 0.03 0.00 0.00 46.19 44.51 3ik4 s LEU 291 CO 0.46 0.14 -0.09 -0.32 0.23 0.00 0.00 176.35 176.77 3ik4 s MET 292 N 0.46 2.27 -0.13 1.70 -2.45 0.15 -0.89 119.30 120.42 3ik4 s MET 292 Ca -0.13 -0.92 0.03 0.00 -1.25 0.00 0.00 55.69 53.42 3ik4 s MET 292 Cb -0.17 -2.37 0.01 0.00 1.25 0.00 0.00 34.83 33.56 3ik4 s MET 292 CO 0.05 0.54 -0.22 -1.50 1.05 0.00 0.00 175.02 174.94 3ik4 s ILE 293 N -1.14 2.01 0.00 10.11 1.10 -0.56 -0.09 121.20 132.63 3ik4 s ILE 293 Ca 0.20 -0.96 0.00 0.00 -0.51 0.00 0.00 60.65 59.38 3ik4 s ILE 293 Cb -0.11 -1.77 0.00 0.00 0.15 0.00 0.00 42.46 40.73 3ik4 s ILE 293 CO 0.12 0.54 0.00 0.61 -2.11 0.00 0.00 174.94 174.10 3ik4 n GLY 294 N 3.96 5.18 2.28 1.50 0.00 -0.74 -0.54 105.19 116.82 3ik4 n GLY 294 Ca -0.20 -1.39 -0.04 0.00 0.00 0.00 0.00 46.02 44.39 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 1.15 0.00 -0.02 0.00 -1.26 -4.59 105.19 100.47 3ik4 n GLY 295 Ca 0.00 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 44.91 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 -0.37 3.71 -2.63 1.61 2.81 -1.26 -4.97 117.12 116.02 3ik4 n MET 296 Ca -0.03 0.00 -0.42 0.00 -1.81 0.00 0.00 57.70 55.44 3ik4 n MET 296 Cb 0.35 0.00 -0.03 0.00 -0.71 0.00 0.00 33.22 32.84 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 2.41 4.08 0.04 2.03 1.01 -1.26 -4.91 120.40 123.81 3ik4 s VAL 297 Ca 0.00 -1.01 0.09 0.00 0.00 0.00 0.00 61.98 61.06 3ik4 s VAL 297 Cb 0.00 -5.02 -0.03 0.00 0.00 0.00 0.00 36.38 31.33 3ik4 s VAL 297 CO 0.00 -1.87 -0.25 -1.61 0.00 0.00 0.00 175.10 171.37 3ik4 s GLU 298 N 4.50 1.68 1.04 2.72 2.02 -1.26 -4.86 118.70 124.53 3ik4 s GLU 298 Ca 0.44 -1.06 -0.18 0.00 0.02 0.00 0.00 54.97 54.20 3ik4 s GLU 298 Cb -0.01 -1.84 0.24 0.00 0.10 0.00 0.00 34.13 32.63 3ik4 s GLU 298 CO -0.08 0.47 1.33 -1.54 0.02 0.00 0.00 175.26 175.45 3ik4 s SER 299 N -1.21 2.45 0.66 -0.19 1.04 -1.26 -3.90 113.70 111.28 3ik4 s SER 299 Ca 0.10 0.19 0.35 0.00 0.48 0.00 0.00 55.95 57.07 3ik4 s SER 299 Cb -0.10 -0.15 1.91 0.00 0.10 0.00 0.00 66.02 67.78 3ik4 s SER 299 CO 0.02 -3.14 2.09 -0.29 0.98 0.00 0.00 173.24 172.90 3ik4 h ILE 300 N -1.93 0.06 0.66 -1.02 2.10 -1.95 -2.80 117.51 112.64 3ik4 h ILE 300 Ca -0.44 0.00 -0.03 0.00 1.08 0.00 0.00 64.86 65.47 3ik4 h ILE 300 Cb 1.22 0.80 0.01 0.00 -1.09 0.00 0.00 36.82 37.75 3ik4 h ILE 300 CO 0.31 0.00 -0.32 0.25 -1.08 0.00 0.00 178.15 177.31 3ik4 h LEU 301 N 0.00 -0.75 -0.63 2.19 5.85 -1.97 -1.49 115.31 118.52 3ik4 h LEU 301 Ca 0.01 0.02 -0.13 0.00 0.84 0.00 0.00 57.88 58.63 3ik4 h LEU 301 Cb 0.44 0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.65 3ik4 h LEU 301 CO -0.00 -0.36 -0.27 0.00 -0.34 0.00 0.00 178.44 177.47 3ik4 h ALA 302 N -1.23 0.81 -0.63 1.25 0.00 -1.88 -2.76 119.26 114.82 3ik4 h ALA 302 Ca -0.09 -0.39 -0.03 0.00 0.00 0.00 0.00 54.91 54.39 3ik4 h ALA 302 Cb 0.68 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 3ik4 h ALA 302 CO 0.15 0.65 0.27 0.52 0.00 0.00 0.00 179.25 180.83 3ik4 h MET 303 N 0.68 0.92 -0.01 0.00 2.86 -1.59 -0.66 114.93 117.13 3ik4 h MET 303 Ca 0.08 -0.14 -0.17 0.00 -2.06 0.00 0.00 59.70 57.41 3ik4 h MET 303 Cb 0.80 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 32.28 3ik4 h MET 303 CO 0.07 0.74 -0.78 0.77 1.06 0.00 0.00 176.91 178.76 3ik4 h SER 304 N 0.90 0.17 0.01 1.22 0.02 -1.11 0.20 113.55 114.95 3ik4 h SER 304 Ca 0.22 -0.12 -0.00 0.00 -0.84 0.00 0.00 61.79 61.04 3ik4 h SER 304 Cb 0.15 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.64 3ik4 h SER 304 CO -0.02 0.88 -0.00 0.15 -1.14 0.00 0.00 176.83 176.69 3ik4 h PHE 305 N 0.08 -0.01 -1.01 3.45 3.04 -1.19 -0.21 116.94 121.09 3ik4 h PHE 305 Ca -0.02 -0.00 0.01 0.00 3.98 0.00 0.00 57.97 61.94 3ik4 h PHE 305 Cb 1.37 0.00 -0.05 0.00 2.56 0.00 0.00 35.95 39.83 3ik4 h PHE 305 CO 0.02 0.13 0.67 0.77 -2.02 0.00 0.00 178.31 177.88 3ik4 h SER 306 N -0.15 1.15 -0.60 0.41 0.02 -1.00 -1.79 113.55 111.58 3ik4 h SER 306 Ca -0.00 -0.03 -0.04 0.00 -0.84 0.00 0.00 61.79 60.88 3ik4 h SER 306 Cb 0.15 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.38 3ik4 h SER 306 CO 0.00 0.82 0.24 0.00 -1.14 0.00 0.00 176.83 176.76 3ik4 h ALA 307 N 1.38 1.23 -0.16 3.77 0.00 -0.89 -0.85 119.26 123.73 3ik4 h ALA 307 Ca 0.37 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 55.06 3ik4 h ALA 307 Cb -0.13 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.39 3ik4 h ALA 307 CO -0.09 0.56 -0.15 -0.91 0.00 0.00 0.00 179.25 178.67 3ik4 h ASN 308 N 0.92 0.25 0.05 0.00 2.35 -0.22 -1.99 115.58 116.94 3ik4 h ASN 308 Ca 0.22 -0.06 -0.00 0.00 -0.55 0.00 0.00 56.30 55.91 3ik4 h ASN 308 Cb 0.19 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.50 3ik4 h ASN 308 CO -0.02 0.43 -0.02 0.25 -1.65 0.00 0.00 177.43 176.42 3ik4 h LEU 309 N 0.25 -0.05 -0.43 1.61 5.85 -1.01 -1.68 115.31 119.85 3ik4 h LEU 309 Ca 0.05 -0.60 0.06 0.00 0.84 0.00 0.00 57.88 58.23 3ik4 h LEU 309 Cb 0.42 0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.41 3ik4 h LEU 309 CO 0.03 0.68 0.11 0.00 -0.34 0.00 0.00 178.44 178.92 3ik4 h ALA 310 N -0.19 0.48 -0.28 1.25 0.00 -1.18 0.22 119.26 119.56 3ik4 h ALA 310 Ca -0.01 0.07 -0.17 0.00 0.00 0.00 0.00 54.91 54.81 3ik4 h ALA 310 Cb 0.65 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.52 3ik4 h ALA 310 CO 0.01 -0.29 -0.50 0.00 0.00 0.00 0.00 179.25 178.47 3ik4 h ALA 311 N 1.31 0.43 -0.03 0.00 0.00 -1.49 -2.03 119.26 117.45 3ik4 h ALA 311 Ca 0.20 -0.49 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 3ik4 h ALA 311 Cb 0.23 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 3ik4 h ALA 311 CO -0.25 0.61 -0.03 0.78 0.00 0.00 0.00 179.25 180.37 3ik4 h GLY 312 N 0.59 0.07 0.89 0.00 0.00 -1.00 -0.87 103.07 102.76 3ik4 h GLY 312 Ca 0.02 -0.07 0.03 0.00 0.00 0.00 0.00 47.33 47.30 3ik4 h GLY 312 CO 0.11 0.07 0.50 -0.57 0.00 0.00 0.00 176.54 176.65 3ik4 h ASN 313 N -0.40 0.84 -4.13 0.19 -0.73 -0.55 -1.66 115.58 109.14 3ik4 h ASN 313 Ca 0.00 -0.01 0.00 0.00 1.87 0.00 0.00 56.30 58.17 3ik4 h ASN 313 Cb 0.53 -0.19 0.00 0.00 0.27 0.00 0.00 38.32 38.93 3ik4 h ASN 313 CO 0.01 0.58 0.00 0.61 -0.37 0.00 0.00 177.43 178.26 3ik4 n GLY 314 N -1.31 -1.48 1.96 1.57 0.00 -0.76 -4.80 105.19 100.36 3ik4 n GLY 314 Ca 0.09 -1.57 0.00 0.00 0.00 0.00 0.00 46.02 44.54 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 -1.82 0.50 3.66 -0.02 0.00 -1.26 -4.93 105.19 101.32 3ik4 n GLY 315 Ca 0.00 -0.07 -0.39 0.00 0.00 0.00 0.00 46.02 45.56 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 3.38 -0.30 1.61 0.08 -1.26 -4.22 117.98 115.27 3ik4 s PHE 316 Ca 0.00 0.84 0.22 0.00 0.12 0.00 0.00 56.93 58.12 3ik4 s PHE 316 Cb 0.00 -2.72 -0.11 0.00 -0.57 0.00 0.00 43.02 39.63 3ik4 s PHE 316 CO 0.00 -0.12 0.85 -0.25 -0.10 0.00 0.00 175.22 175.60 3ik4 n ASP 317 N 4.83 0.50 -3.93 1.36 8.00 -0.07 -4.84 116.55 122.40 3ik4 n ASP 317 Ca -0.03 0.02 -0.27 0.00 0.71 0.00 0.00 54.79 55.22 3ik4 n ASP 317 Cb 0.50 1.08 -0.17 0.00 -0.02 0.00 0.00 41.12 42.52 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 -3.36 1.56 -0.20 1.24 0.08 -1.01 -5.04 117.98 111.27 3ik4 s PHE 318 Ca -0.02 -0.79 -0.02 0.00 0.12 0.00 0.00 56.93 56.23 3ik4 s PHE 318 Cb 0.13 -1.27 -0.00 0.00 -0.57 0.00 0.00 43.02 41.31 3ik4 s PHE 318 CO 0.84 -0.52 -0.10 0.42 -0.10 0.00 0.00 175.22 175.75 3ik4 s ILE 319 N 1.62 2.94 -0.48 0.64 -1.09 -1.26 -1.50 121.20 122.06 3ik4 s ILE 319 Ca 0.04 -0.65 0.08 0.00 -2.23 0.00 0.00 60.65 57.89 3ik4 s ILE 319 Cb -0.13 -2.30 0.28 0.00 -1.58 0.00 0.00 42.46 38.73 3ik4 s ILE 319 CO -0.08 0.47 0.68 -0.67 -1.23 0.00 0.00 174.94 174.11 3ik4 n ASP 320 N 4.57 1.89 -3.12 3.58 4.64 0.30 -1.23 116.55 127.17 3ik4 n ASP 320 Ca -0.19 -3.09 -0.26 0.00 -1.38 0.00 0.00 54.79 49.86 3ik4 n ASP 320 Cb 0.51 -0.64 -0.05 0.00 -1.04 0.00 0.00 41.12 39.90 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 0.84 3.97 -0.15 -2.67 4.77 -1.26 -4.20 117.00 118.28 3ik4 n LEU 321 Ca 0.26 -5.55 0.02 0.00 -0.03 0.00 0.00 56.01 50.70 3ik4 n LEU 321 Cb 0.50 -0.50 0.02 0.00 -2.33 0.00 0.00 43.42 41.11 3ik4 n LEU 321 CO 0.27 2.25 0.35 -0.90 -1.33 0.00 0.00 177.39 178.03 3ik4 n ASP 322 N 0.19 1.50 0.16 -1.43 3.85 -1.26 -4.68 116.55 114.87 3ik4 n ASP 322 Ca 0.30 -1.32 0.02 0.00 -0.71 0.00 0.00 54.79 53.08 3ik4 n ASP 322 Cb 0.41 -0.01 0.36 0.00 -1.35 0.00 0.00 41.12 40.53 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 0.69 1.24 -0.97 2.12 1.35 -1.89 -2.50 112.91 112.95 3ik4 h THR 323 Ca 0.00 -1.12 0.27 0.00 -0.55 0.00 0.00 66.41 65.01 3ik4 h THR 323 Cb 0.23 1.54 -0.05 0.00 -1.73 0.00 0.00 68.15 68.14 3ik4 h THR 323 CO 0.00 0.33 0.68 -0.65 -0.25 0.00 0.00 175.52 175.63 3ik4 h PRO 324 N 0.08 0.10 0.00 4.72 0.11 -1.84 0.15 132.00 135.32 3ik4 h PRO 324 Ca 0.01 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.12 3ik4 h PRO 324 Cb 0.58 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.67 3ik4 h PRO 324 CO 0.04 0.06 0.00 1.28 -0.21 0.00 0.00 178.00 179.18 3ik4 n LEU 325 N -4.32 0.29 -0.40 2.35 4.32 -0.94 -2.84 117.00 115.45 3ik4 n LEU 325 Ca 0.21 0.57 0.08 0.00 -0.02 0.00 0.00 56.01 56.85 3ik4 n LEU 325 Cb 0.98 -0.53 0.01 0.00 -1.62 0.00 0.00 43.42 42.26 3ik4 n LEU 325 CO 0.37 -0.37 0.30 0.49 -1.22 0.00 0.00 177.39 176.95 3ik4 n PHE 326 N -1.82 0.00 -3.16 -1.77 3.01 0.02 -4.94 117.46 108.80 3ik4 n PHE 326 Ca 0.03 0.00 -0.39 0.00 1.01 0.00 0.00 57.45 58.10 3ik4 n PHE 326 Cb 0.20 0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 39.62 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 -1.77 5.08 0.01 4.37 1.01 -1.10 -0.49 121.20 128.32 3ik4 s ILE 327 Ca 0.14 1.18 -0.21 0.00 0.00 0.00 0.00 60.65 61.76 3ik4 s ILE 327 Cb 0.13 -3.93 -0.17 0.00 0.01 0.00 0.00 42.46 38.49 3ik4 s ILE 327 CO 0.36 0.22 1.25 0.00 0.00 0.00 0.00 174.94 176.77 3ik4 h ALA 328 N 7.02 0.15 -2.88 9.38 0.00 -0.94 -3.46 119.26 128.53 3ik4 h ALA 328 Ca -0.37 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.14 3ik4 h ALA 328 Cb 1.17 -0.02 -0.11 0.00 0.00 0.00 0.00 17.79 18.83 3ik4 h ALA 328 CO 0.76 0.09 0.05 -1.83 0.00 0.00 0.00 179.25 178.32 3ik4 s GLU 329 N -3.96 1.34 0.07 0.00 4.04 -1.25 -5.06 118.70 113.88 3ik4 s GLU 329 Ca -0.14 -0.79 -0.26 0.00 0.04 0.00 0.00 54.97 53.82 3ik4 s GLU 329 Cb 0.04 0.53 0.08 0.00 0.02 0.00 0.00 34.13 34.80 3ik4 s GLU 329 CO 0.75 -0.57 0.73 -3.38 -1.84 0.00 0.00 175.26 170.95 3ik4 s HIS 330 N -3.85 -0.47 -0.23 4.83 -3.43 -1.26 -4.26 115.29 106.61 3ik4 s HIS 330 Ca 0.07 0.36 0.01 0.00 -0.80 0.00 0.00 55.06 54.71 3ik4 s HIS 330 Cb -0.01 0.54 0.29 0.00 -1.43 0.00 0.00 32.58 31.97 3ik4 s HIS 330 CO -0.05 -0.70 1.56 -0.35 -2.00 0.00 0.00 174.74 173.20 3ik4 n PRO 331 N -0.18 1.63 -4.35 -0.38 -0.04 -1.26 -4.97 135.00 125.45 3ik4 n PRO 331 Ca -0.14 -1.45 -0.29 0.00 -0.04 0.00 0.00 63.50 61.58 3ik4 n PRO 331 Cb 0.63 -1.57 -0.12 0.00 -0.04 0.00 0.00 33.50 32.40 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 -1.61 2.43 0.05 0.54 0.40 -1.26 -1.75 117.98 116.77 3ik4 s PHE 332 Ca 0.28 -0.32 0.05 0.00 -0.60 0.00 0.00 56.93 56.34 3ik4 s PHE 332 Cb 0.23 -1.29 -0.02 0.00 0.51 0.00 0.00 43.02 42.45 3ik4 s PHE 332 CO 0.04 0.38 -0.15 0.96 0.70 0.00 0.00 175.22 177.15 3ik4 s ILE 333 N -1.17 1.20 0.00 0.64 -4.36 0.90 -4.82 121.20 113.59 3ik4 s ILE 333 Ca 0.17 -1.11 0.00 0.00 -0.26 0.00 0.00 60.65 59.45 3ik4 s ILE 333 Cb -0.10 -1.09 0.00 0.00 1.25 0.00 0.00 42.46 42.51 3ik4 s ILE 333 CO 0.09 -0.02 0.00 0.61 0.24 0.00 0.00 174.94 175.85 3ik4 n GLY 334 N 1.73 0.44 7.00 6.27 0.00 -1.26 0.01 105.19 119.38 3ik4 n GLY 334 Ca -0.19 -1.44 0.00 0.00 0.00 0.00 0.00 46.02 44.39 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 -0.47 3.80 -0.02 0.00 -0.01 -4.81 105.19 103.68 3ik4 n GLY 335 Ca 0.00 -1.13 -0.31 0.00 0.00 0.00 0.00 46.02 44.59 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 2.90 -0.24 1.61 -0.12 -1.26 -4.81 117.98 116.06 3ik4 s PHE 336 Ca 0.00 1.33 -0.00 0.00 -0.05 0.00 0.00 56.93 58.20 3ik4 s PHE 336 Cb 0.00 -3.00 0.03 0.00 -0.63 0.00 0.00 43.02 39.42 3ik4 s PHE 336 CO 0.00 -1.56 -0.10 0.00 -0.05 0.00 0.00 175.22 173.51 3ik4 s ALA 337 N -3.06 2.60 -0.21 1.99 0.00 0.54 -4.90 121.76 118.72 3ik4 s ALA 337 Ca 0.60 -1.48 -0.11 0.00 0.00 0.00 0.00 51.96 50.97 3ik4 s ALA 337 Cb -0.15 -1.57 -0.05 0.00 0.00 0.00 0.00 23.12 21.35 3ik4 s ALA 337 CO 0.55 -0.81 0.17 -1.14 0.00 0.00 0.00 175.76 174.53 3ik4 s GLN 338 N 1.27 4.14 -0.16 0.00 0.74 -1.26 0.20 119.66 124.59 3ik4 s GLN 338 Ca -0.01 -0.19 -0.01 0.00 0.05 0.00 0.00 55.36 55.20 3ik4 s GLN 338 Cb -0.17 -3.48 0.04 0.00 1.10 0.00 0.00 33.01 30.51 3ik4 s GLN 338 CO -0.06 0.17 -0.02 0.99 -0.55 0.00 0.00 175.29 175.82 3ik4 s THR 339 N 0.73 0.87 0.00 -0.34 2.01 -0.57 -5.00 115.64 113.35 3ik4 s THR 339 Ca 0.09 -0.53 0.00 0.00 0.31 0.00 0.00 61.69 61.56 3ik4 s THR 339 Cb -0.12 -1.14 0.00 0.00 0.01 0.00 0.00 72.50 71.25 3ik4 s THR 339 CO 0.02 0.05 0.00 0.61 -0.69 0.00 0.00 174.62 174.61 3ik4 n GLY 340 N 4.95 2.76 0.57 4.40 0.00 -1.26 -1.36 105.19 115.25 3ik4 n GLY 340 Ca -0.10 0.02 0.05 0.00 0.00 0.00 0.00 46.02 45.99 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 2.53 3.68 -0.02 0.00 -1.07 -4.68 105.19 105.62 3ik4 n GLY 341 Ca 0.00 -0.34 -0.40 0.00 0.00 0.00 0.00 46.02 45.28 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 -0.99 4.97 -0.29 2.61 2.01 -0.46 -0.66 115.64 122.84 3ik4 s THR 342 Ca 0.20 1.42 -0.11 0.00 0.31 0.00 0.00 61.69 63.51 3ik4 s THR 342 Cb 0.11 -4.04 -0.04 0.00 0.01 0.00 0.00 72.50 68.53 3ik4 s THR 342 CO 0.14 0.11 0.19 -0.76 -0.69 0.00 0.00 174.62 173.62 3ik4 s LEU 343 N 1.73 4.07 -0.16 4.42 1.43 0.11 -1.51 118.68 128.77 3ik4 s LEU 343 Ca 0.34 -0.08 -0.02 0.00 -1.03 0.00 0.00 54.13 53.34 3ik4 s LEU 343 Cb -0.17 -2.11 -0.02 0.00 0.03 0.00 0.00 46.19 43.92 3ik4 s LEU 343 CO 0.13 -0.08 -0.08 -1.58 0.23 0.00 0.00 176.35 174.98 3ik4 s GLN 344 N 1.75 3.50 0.33 1.70 2.00 0.13 -1.35 119.66 127.71 3ik4 s GLN 344 Ca 0.07 -0.61 0.06 0.00 -2.00 0.00 0.00 55.36 52.88 3ik4 s GLN 344 Cb -0.16 -2.82 -0.01 0.00 0.80 0.00 0.00 33.01 30.82 3ik4 s GLN 344 CO 0.11 0.15 0.46 -0.51 -0.50 0.00 0.00 175.29 175.00 3ik4 s LEU 345 N 0.57 4.01 0.25 3.68 1.02 0.14 -0.34 118.68 128.01 3ik4 s LEU 345 Ca -0.05 -0.12 0.06 0.00 0.02 0.00 0.00 54.13 54.04 3ik4 s LEU 345 Cb -0.15 -2.79 -0.05 0.00 0.02 0.00 0.00 46.19 43.21 3ik4 s LEU 345 CO 0.03 -0.39 -0.06 0.00 0.02 0.00 0.00 176.35 175.94 3ik4 s ALA 346 N -2.17 2.11 -0.51 4.21 0.00 -1.26 -4.90 121.76 119.23 3ik4 s ALA 346 Ca 0.44 -1.80 -0.05 0.00 0.00 0.00 0.00 51.96 50.54 3ik4 s ALA 346 Cb -0.09 0.20 -0.11 0.00 0.00 0.00 0.00 23.12 23.11 3ik4 s ALA 346 CO 0.31 -0.09 2.33 -0.25 0.00 0.00 0.00 175.76 178.06 3ik4 n ASP 347 N -0.48 4.36 -4.18 0.00 9.92 -1.26 -4.84 116.55 120.07 3ik4 n ASP 347 Ca -0.06 -2.23 -0.28 0.00 -0.53 0.00 0.00 54.79 51.69 3ik4 n ASP 347 Cb 0.63 -1.02 -0.16 0.00 -0.64 0.00 0.00 41.12 39.93 3ik4 n ASP 347 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 3ik4 s VAL 348 N 2.52 1.61 0.64 2.53 1.01 -1.26 -5.00 120.40 122.46 3ik4 s VAL 348 Ca 0.42 -0.83 -0.17 0.00 0.00 0.00 0.00 61.98 61.40 3ik4 s VAL 348 Cb 0.15 -1.37 -0.01 0.00 0.00 0.00 0.00 36.38 35.15 3ik4 s VAL 348 CO -0.02 0.46 1.21 0.00 0.00 0.00 0.00 175.10 176.75 3ik4 s ALA 349 N -0.10 2.40 0.00 5.51 0.00 -1.26 -3.86 121.76 124.45 3ik4 s ALA 349 Ca -0.02 0.96 0.00 0.00 0.00 0.00 0.00 51.96 52.90 3ik4 s ALA 349 Cb -0.11 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 19.55 3ik4 s ALA 349 CO 0.02 -1.42 0.00 0.41 0.00 0.00 0.00 175.76 174.77 3ik4 n GLY 350 N 0.44 1.36 0.01 0.00 0.00 -0.29 -3.25 105.19 103.46 3ik4 n GLY 350 Ca 0.14 -0.64 0.12 0.00 0.00 0.00 0.00 46.02 45.64 3ik4 n GLY 350 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3ik4 n HIS 351 N 5.52 0.00 -0.96 1.61 -0.00 -1.26 -0.90 115.22 119.23 3ik4 n HIS 351 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 3ik4 n HIS 351 Cb 0.00 -0.24 0.00 0.00 -0.00 0.00 0.00 29.99 29.75 3ik4 n HIS 351 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 3ik4 n GLY 352 N 1.49 0.79 3.76 -1.39 0.00 -1.20 -4.27 105.19 104.36 3ik4 n GLY 352 Ca 0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.71 3ik4 n GLY 352 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ik4 s VAL 353 N -3.11 5.28 0.16 1.61 1.01 -1.26 -0.83 120.40 123.26 3ik4 s VAL 353 Ca 0.00 0.58 0.01 0.00 0.00 0.00 0.00 61.98 62.57 3ik4 s VAL 353 Cb 0.00 -3.63 -0.05 0.00 0.00 0.00 0.00 36.38 32.70 3ik4 s VAL 353 CO 0.00 0.43 0.00 0.20 0.00 0.00 0.00 175.10 175.73 3ik4 s ASN 354 N 0.13 1.11 0.23 3.32 0.01 0.10 -4.87 114.94 114.97 3ik4 s ASN 354 Ca 0.18 -1.16 -0.28 0.00 -0.71 0.00 0.00 52.86 50.88 3ik4 s ASN 354 Cb -0.13 0.13 -0.09 0.00 0.41 0.00 0.00 41.25 41.57 3ik4 s ASN 354 CO 0.05 -0.58 0.90 -0.76 -1.51 0.00 0.00 177.10 175.21 3ik4 s LEU 355 N -3.15 4.60 0.62 0.60 1.43 -1.26 -0.07 118.68 121.46 3ik4 s LEU 355 Ca 0.23 1.86 -0.18 0.00 -1.03 0.00 0.00 54.13 55.01 3ik4 s LEU 355 Cb 0.06 -3.58 -0.03 0.00 0.03 0.00 0.00 46.19 42.67 3ik4 s LEU 355 CO 0.03 0.15 1.09 -0.62 0.23 0.00 0.00 176.35 177.23 3ik4 n GLU 356 N 1.41 0.99 0.00 1.70 1.02 -0.72 -4.79 120.64 120.25 3ik4 n GLU 356 Ca -0.02 0.39 0.00 0.00 -0.02 0.00 0.00 57.16 57.50 3ik4 n GLU 356 Cb 0.48 -2.31 0.00 0.00 -0.02 0.00 0.00 31.44 29.59 3ik4 n GLU 356 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3ik4 n GLY 357 N 1.14 0.54 0.00 0.62 0.00 -1.26 -5.06 105.19 101.17 3ik4 n GLY 357 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 3ik4 n GLY 357 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74