#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k44 s GLN 42 N 0.00 2.83 -0.28 5.31 -2.07 0.40 -4.95 119.66 120.91 3k44 s GLN 42 Ca 0.00 -0.57 -0.11 0.00 -1.82 0.00 0.00 55.36 52.85 3k44 s GLN 42 Cb 0.00 -2.70 -0.05 0.00 -1.09 0.00 0.00 33.01 29.17 3k44 s GLN 42 CO 0.00 0.64 0.20 -2.00 -1.32 0.00 0.00 175.29 172.81 3k44 s GLU 43 N -1.47 3.96 -0.05 9.60 2.12 -1.26 -1.12 118.70 130.48 3k44 s GLU 43 Ca 0.19 -0.29 0.01 0.00 0.36 0.00 0.00 54.97 55.24 3k44 s GLU 43 Cb -0.12 -3.65 -0.26 0.00 0.26 0.00 0.00 34.13 30.36 3k44 s GLU 43 CO 0.09 -0.18 0.64 -0.07 -0.54 0.00 0.00 175.26 175.21 3k44 h LEU 44 N 8.35 0.27 -7.00 2.70 4.07 -0.70 -3.49 115.31 119.51 3k44 h LEU 44 Ca -0.35 -0.50 0.05 0.00 0.08 0.00 0.00 57.88 57.17 3k44 h LEU 44 Cb 1.19 -0.09 -0.18 0.00 1.08 0.00 0.00 40.66 42.66 3k44 h LEU 44 CO 0.56 1.44 0.42 0.00 -1.08 0.00 0.00 178.44 179.78 3k44 s ALA 45 N -2.59 -1.83 0.03 1.53 0.00 -1.15 -4.98 121.76 112.76 3k44 s ALA 45 Ca -0.12 1.22 0.04 0.00 0.00 0.00 0.00 51.96 53.10 3k44 s ALA 45 Cb 0.07 -0.01 -0.02 0.00 0.00 0.00 0.00 23.12 23.16 3k44 s ALA 45 CO 0.82 -0.50 -0.11 0.99 0.00 0.00 0.00 175.76 176.96 3k44 s THR 46 N -2.10 0.85 -0.01 0.00 2.01 -1.26 -1.25 115.64 113.88 3k44 s THR 46 Ca -0.01 -0.82 0.03 0.00 0.31 0.00 0.00 61.69 61.21 3k44 s THR 46 Cb -0.01 -0.78 -0.01 0.00 0.01 0.00 0.00 72.50 71.72 3k44 s THR 46 CO -0.02 -0.02 -0.11 -0.54 -0.69 0.00 0.00 174.62 173.24 3k44 s LYS 47 N -0.94 0.94 -0.07 4.92 -0.14 -0.30 -5.00 119.74 119.16 3k44 s LYS 47 Ca -0.00 -0.39 0.04 0.00 -1.36 0.00 0.00 55.97 54.26 3k44 s LYS 47 Cb -0.07 -0.90 0.00 0.00 -1.68 0.00 0.00 37.83 35.18 3k44 s LYS 47 CO 0.01 0.22 -0.20 1.41 -0.76 0.00 0.00 175.35 176.03 3k44 s MET 48 N -0.17 2.33 -0.03 1.68 -2.45 -1.26 -0.62 119.30 118.79 3k44 s MET 48 Ca 0.03 -0.71 0.05 0.00 -1.25 0.00 0.00 55.69 53.82 3k44 s MET 48 Cb -0.05 -1.88 -0.01 0.00 1.25 0.00 0.00 34.83 34.14 3k44 s MET 48 CO -0.00 0.19 -0.19 -0.51 1.05 0.00 0.00 175.02 175.56 3k44 s LEU 49 N 0.26 2.00 -0.29 4.11 1.02 -0.16 -4.99 118.68 120.63 3k44 s LEU 49 Ca -0.12 -0.37 -0.07 0.00 0.02 0.00 0.00 54.13 53.59 3k44 s LEU 49 Cb -0.15 -1.03 -0.00 0.00 0.02 0.00 0.00 46.19 45.03 3k44 s LEU 49 CO 0.05 0.21 0.09 -1.10 0.02 0.00 0.00 176.35 175.63 3k44 s GLN 50 N -0.27 3.24 -0.11 1.70 -0.21 -1.26 -0.62 119.66 122.13 3k44 s GLN 50 Ca 0.03 -0.76 -0.01 0.00 0.02 0.00 0.00 55.36 54.63 3k44 s GLN 50 Cb -0.09 -3.40 0.03 0.00 1.00 0.00 0.00 33.01 30.55 3k44 s GLN 50 CO 0.01 -0.39 -0.03 0.42 -2.12 0.00 0.00 175.29 173.18 3k44 s ILE 51 N 1.54 0.69 -1.27 1.08 1.01 -0.24 -4.90 121.20 119.11 3k44 s ILE 51 Ca 0.04 -0.17 -0.22 0.00 0.00 0.00 0.00 60.65 60.29 3k44 s ILE 51 Cb -0.17 -0.85 0.03 0.00 0.01 0.00 0.00 42.46 41.49 3k44 s ILE 51 CO 0.03 0.23 0.42 1.67 0.00 0.00 0.00 174.94 177.29 3k44 n GLN 52 N 5.04 -0.48 -0.67 2.79 7.27 -1.26 -0.15 117.38 129.93 3k44 n GLN 52 Ca -0.10 0.05 0.00 0.00 0.07 0.00 0.00 57.00 57.02 3k44 n GLN 52 Cb 0.49 -2.68 0.00 0.00 2.41 0.00 0.00 30.24 30.47 3k44 n GLN 52 CO 0.00 0.00 0.00 -1.13 0.07 0.00 0.00 177.06 176.00 3k44 n SER 53 N -2.25 0.00 -4.85 1.69 3.41 -1.26 -4.94 113.62 105.42 3k44 n SER 53 Ca -0.18 0.00 -0.21 0.00 -0.26 0.00 0.00 58.87 58.22 3k44 n SER 53 Cb 0.58 -0.88 -0.04 0.00 -0.26 0.00 0.00 64.21 63.61 3k44 n SER 53 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3k44 s LYS 54 N -0.31 2.82 0.01 4.33 1.02 0.79 -4.35 119.74 124.05 3k44 s LYS 54 Ca 0.00 -1.19 0.06 0.00 0.02 0.00 0.00 55.97 54.86 3k44 s LYS 54 Cb 0.00 -2.53 -0.03 0.00 -0.52 0.00 0.00 37.83 34.75 3k44 s LYS 54 CO 0.00 0.21 -0.17 1.03 -0.92 0.00 0.00 175.35 175.50 3k44 s ARG 55 N -3.95 2.24 -0.03 1.68 0.52 -0.97 -1.08 118.95 117.36 3k44 s ARG 55 Ca 0.38 -0.87 0.05 0.00 -0.52 0.00 0.00 55.73 54.77 3k44 s ARG 55 Cb -0.07 -2.26 -0.01 0.00 0.52 0.00 0.00 34.95 33.14 3k44 s ARG 55 CO 0.26 0.57 -0.17 -0.06 0.02 0.00 0.00 175.30 175.92 3k44 s PHE 56 N -0.85 1.69 -0.16 -0.53 0.08 0.21 -0.63 117.98 117.79 3k44 s PHE 56 Ca 0.14 -0.43 -0.01 0.00 0.12 0.00 0.00 56.93 56.74 3k44 s PHE 56 Cb -0.11 -1.12 -0.01 0.00 -0.57 0.00 0.00 43.02 41.21 3k44 s PHE 56 CO 0.04 -0.12 -0.10 0.71 -0.10 0.00 0.00 175.22 175.64 3k44 s TYR 57 N -0.11 2.88 -0.34 0.36 2.02 -0.17 -0.99 117.35 121.00 3k44 s TYR 57 Ca -0.00 -0.70 -0.04 0.00 -0.37 0.00 0.00 57.07 55.95 3k44 s TYR 57 Cb -0.10 -1.92 0.06 0.00 -0.40 0.00 0.00 41.96 39.59 3k44 s TYR 57 CO 0.01 -0.29 0.09 -0.51 -1.57 0.00 0.00 175.55 173.29 3k44 s LEU 58 N 0.65 4.36 -0.21 -1.29 1.02 0.21 -1.10 118.68 122.32 3k44 s LEU 58 Ca -0.05 -1.34 -0.03 0.00 0.02 0.00 0.00 54.13 52.72 3k44 s LEU 58 Cb -0.15 -1.82 -0.01 0.00 0.02 0.00 0.00 46.19 44.23 3k44 s LEU 58 CO 0.03 -0.35 -0.05 -1.81 0.02 0.00 0.00 176.35 174.18 3k44 s ASP 59 N 1.47 4.28 -0.20 2.29 1.01 -0.28 -1.15 116.67 124.09 3k44 s ASP 59 Ca -0.01 -0.37 -0.25 0.00 0.71 0.00 0.00 52.55 52.63 3k44 s ASP 59 Cb -0.20 -1.73 -0.01 0.00 1.01 0.00 0.00 42.92 41.99 3k44 s ASP 59 CO 0.00 0.01 0.81 -0.69 0.21 0.00 0.00 175.17 175.52 3k44 s VAL 60 N 1.31 4.87 0.17 -1.27 1.01 -0.38 -0.82 120.40 125.29 3k44 s VAL 60 Ca 0.04 1.57 0.04 0.00 0.00 0.00 0.00 61.98 63.62 3k44 s VAL 60 Cb -0.14 -4.11 -0.05 0.00 0.00 0.00 0.00 36.38 32.08 3k44 s VAL 60 CO -0.02 -0.01 -0.06 -0.54 0.00 0.00 0.00 175.10 174.47 3k44 s LYS 61 N 2.40 1.13 -0.06 2.72 1.02 0.10 0.09 119.74 127.14 3k44 s LYS 61 Ca 0.36 -1.52 -0.03 0.00 0.02 0.00 0.00 55.97 54.80 3k44 s LYS 61 Cb -0.16 -0.55 0.03 0.00 -0.52 0.00 0.00 37.83 36.63 3k44 s LYS 61 CO 0.10 -0.00 0.14 -1.14 -0.92 0.00 0.00 175.35 173.53 3k44 s GLN 62 N -3.80 0.11 0.00 1.68 0.74 -0.27 -1.08 119.66 117.03 3k44 s GLN 62 Ca 0.20 0.31 0.00 0.00 0.05 0.00 0.00 55.36 55.92 3k44 s GLN 62 Cb 0.04 -0.10 0.00 0.00 1.10 0.00 0.00 33.01 34.05 3k44 s GLN 62 CO 0.03 -0.12 0.00 0.27 -0.55 0.00 0.00 175.29 174.92 3k44 n ASN 63 N 3.84 0.00 0.03 6.67 2.04 -0.97 -0.45 115.26 126.41 3k44 n ASN 63 Ca -0.22 -0.82 0.06 0.00 -0.44 0.00 0.00 54.58 53.15 3k44 n ASN 63 Cb 0.54 0.00 0.25 0.00 -2.53 0.00 0.00 39.78 38.04 3k44 n ASN 63 CO 0.00 0.00 0.00 0.54 -0.44 0.00 0.00 177.26 177.36 3k44 n ARG 64 N 0.00 0.03 -0.60 -3.83 1.74 -1.26 -0.48 116.66 112.27 3k44 n ARG 64 Ca 0.00 0.38 0.08 0.00 -0.77 0.00 0.00 57.85 57.55 3k44 n ARG 64 Cb 0.00 -1.58 0.33 0.00 -1.02 0.00 0.00 32.46 30.19 3k44 n ARG 64 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3k44 n ARG 65 N -1.64 3.61 0.00 5.56 1.74 -1.26 -5.06 116.66 119.61 3k44 n ARG 65 Ca 0.02 -2.60 0.00 0.00 -0.77 0.00 0.00 57.85 54.50 3k44 n ARG 65 Cb 0.11 -1.89 0.00 0.00 -1.02 0.00 0.00 32.46 29.66 3k44 n ARG 65 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3k44 n GLY 66 N 0.99 -3.27 3.87 -0.13 0.00 0.37 -4.99 105.19 102.03 3k44 n GLY 66 Ca 0.23 -2.07 -0.35 0.00 0.00 0.00 0.00 46.02 43.84 3k44 n GLY 66 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3k44 s ARG 67 N -0.60 3.64 0.25 1.61 3.52 -1.26 -2.30 118.95 123.81 3k44 s ARG 67 Ca 0.00 0.03 -0.19 0.00 -0.13 0.00 0.00 55.73 55.43 3k44 s ARG 67 Cb 0.00 -3.09 0.02 0.00 -1.56 0.00 0.00 34.95 30.32 3k44 s ARG 67 CO 0.00 0.65 0.64 -0.59 -0.81 0.00 0.00 175.30 175.18 3k44 s PHE 68 N -1.27 -0.14 -0.22 5.12 -0.12 -0.24 -4.43 117.98 116.68 3k44 s PHE 68 Ca 0.27 -0.26 -0.05 0.00 -0.05 0.00 0.00 56.93 56.84 3k44 s PHE 68 Cb -0.14 0.56 -0.02 0.00 -0.63 0.00 0.00 43.02 42.80 3k44 s PHE 68 CO 0.15 -1.10 -0.00 0.42 -0.05 0.00 0.00 175.22 174.63 3k44 s ILE 69 N -3.91 3.76 -0.10 -4.49 1.01 0.49 -0.72 121.20 117.24 3k44 s ILE 69 Ca 0.11 -0.37 -0.17 0.00 0.00 0.00 0.00 60.65 60.23 3k44 s ILE 69 Cb -0.04 -2.72 -0.05 0.00 0.01 0.00 0.00 42.46 39.67 3k44 s ILE 69 CO 0.03 0.41 0.42 -0.75 0.00 0.00 0.00 174.94 175.05 3k44 s LYS 70 N 1.36 4.23 -0.24 2.79 2.20 -0.00 -0.67 119.74 129.41 3k44 s LYS 70 Ca 0.04 0.37 -0.01 0.00 -0.36 0.00 0.00 55.97 56.02 3k44 s LYS 70 Cb -0.15 -3.38 0.03 0.00 -1.51 0.00 0.00 37.83 32.82 3k44 s LYS 70 CO 0.00 0.30 -0.08 0.08 -0.36 0.00 0.00 175.35 175.28 3k44 s VAL 71 N 0.20 2.68 -0.14 4.02 1.01 -0.00 -1.13 120.40 127.04 3k44 s VAL 71 Ca 0.23 -1.10 -0.03 0.00 0.00 0.00 0.00 61.98 61.08 3k44 s VAL 71 Cb -0.15 -2.36 -0.03 0.00 0.00 0.00 0.00 36.38 33.83 3k44 s VAL 71 CO 0.10 0.21 -0.02 0.00 0.00 0.00 0.00 175.10 175.38 3k44 s ALA 72 N 1.29 3.11 -0.09 5.51 0.00 -0.26 -1.04 121.76 130.28 3k44 s ALA 72 Ca -0.01 -0.81 0.01 0.00 0.00 0.00 0.00 51.96 51.16 3k44 s ALA 72 Cb -0.17 -1.56 -0.02 0.00 0.00 0.00 0.00 23.12 21.37 3k44 s ALA 72 CO -0.06 0.32 -0.12 -2.00 0.00 0.00 0.00 175.76 173.90 3k44 s GLU 73 N -0.01 2.98 -0.25 0.00 2.12 0.13 -1.00 118.70 122.68 3k44 s GLU 73 Ca 0.02 -0.66 -0.07 0.00 0.36 0.00 0.00 54.97 54.62 3k44 s GLU 73 Cb -0.13 -2.54 -0.02 0.00 0.26 0.00 0.00 34.13 31.69 3k44 s GLU 73 CO 0.02 0.43 0.05 0.42 -0.54 0.00 0.00 175.26 175.64 3k44 s ILE 74 N -0.21 4.08 0.89 -3.70 -1.09 0.20 -2.01 121.20 119.35 3k44 s ILE 74 Ca 0.01 -0.28 -0.12 0.00 -2.23 0.00 0.00 60.65 58.03 3k44 s ILE 74 Cb -0.13 -2.91 0.12 0.00 -1.58 0.00 0.00 42.46 37.96 3k44 s ILE 74 CO 0.03 0.34 1.10 -0.83 -1.23 0.00 0.00 174.94 174.35 3k44 s GLY 75 N 1.58 1.60 0.51 6.18 0.00 0.33 -2.28 107.32 115.24 3k44 s GLY 75 Ca 0.06 -0.27 0.19 0.00 0.00 0.00 0.00 44.72 44.70 3k44 s GLY 75 CO 0.02 0.24 2.11 0.00 0.00 0.00 0.00 173.10 175.47 3k44 h ALA 76 N -1.46 1.76 -0.08 3.20 0.00 -1.90 -1.16 119.26 119.62 3k44 h ALA 76 Ca -0.50 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.35 3k44 h ALA 76 Cb 1.30 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.08 3k44 h ALA 76 CO 0.58 0.08 0.00 -0.40 0.00 0.00 0.00 179.25 179.52 3k44 n ASP 77 N -4.27 2.40 0.00 0.00 5.75 -1.26 -4.96 116.55 114.21 3k44 n ASP 77 Ca -0.03 -1.80 0.00 0.00 -0.01 0.00 0.00 54.79 52.96 3k44 n ASP 77 Cb 0.15 -0.04 0.00 0.00 -1.03 0.00 0.00 41.12 40.20 3k44 n ASP 77 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3k44 n GLY 78 N 1.29 0.87 3.69 6.12 0.00 -0.44 -5.06 105.19 111.66 3k44 n GLY 78 Ca 0.17 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.74 3k44 n GLY 78 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3k44 n ARG 79 N -2.00 2.40 -3.79 1.61 0.63 -1.26 -4.37 116.66 109.88 3k44 n ARG 79 Ca 0.00 0.87 -0.36 0.00 -0.92 0.00 0.00 57.85 57.43 3k44 n ARG 79 Cb 0.00 -2.67 -0.07 0.00 0.45 0.00 0.00 32.46 30.17 3k44 n ARG 79 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 3k44 s ARG 80 N 1.27 3.79 0.17 -0.14 0.52 -1.26 -0.51 118.95 122.78 3k44 s ARG 80 Ca 0.78 -0.13 -0.16 0.00 -0.52 0.00 0.00 55.73 55.70 3k44 s ARG 80 Cb -0.61 -3.29 0.03 0.00 0.52 0.00 0.00 34.95 31.60 3k44 s ARG 80 CO 0.37 0.56 0.45 -1.54 0.02 0.00 0.00 175.30 175.16 3k44 s SER 81 N -0.42 -0.22 0.03 0.23 1.04 -0.85 -5.01 113.70 108.50 3k44 s SER 81 Ca 0.13 -0.46 -0.10 0.00 0.48 0.00 0.00 55.95 55.99 3k44 s SER 81 Cb -0.12 0.53 0.01 0.00 0.10 0.00 0.00 66.02 66.53 3k44 s SER 81 CO 0.02 -0.96 0.21 -1.10 0.98 0.00 0.00 173.24 172.38 3k44 s GLN 82 N -3.86 0.67 0.19 4.02 1.11 -1.26 0.22 119.66 120.76 3k44 s GLN 82 Ca 0.08 -0.55 0.02 0.00 0.01 0.00 0.00 55.36 54.92 3k44 s GLN 82 Cb 0.00 0.28 -0.05 0.00 -1.01 0.00 0.00 33.01 32.24 3k44 s GLN 82 CO -0.06 -0.19 0.00 0.96 0.01 0.00 0.00 175.29 176.01 3k44 s ILE 83 N -2.30 0.79 -0.02 1.08 -4.36 -0.20 -4.38 121.20 111.80 3k44 s ILE 83 Ca -0.07 -2.00 0.03 0.00 -0.26 0.00 0.00 60.65 58.35 3k44 s ILE 83 Cb -0.02 -2.20 -0.00 0.00 1.25 0.00 0.00 42.46 41.49 3k44 s ILE 83 CO -0.02 -0.42 -0.10 -0.31 0.24 0.00 0.00 174.94 174.33 3k44 s TYR 84 N -3.59 0.98 -0.04 1.37 2.02 -1.26 -0.82 117.35 116.01 3k44 s TYR 84 Ca 0.26 -0.22 0.03 0.00 -0.37 0.00 0.00 57.07 56.77 3k44 s TYR 84 Cb 0.06 -0.67 0.00 0.00 -0.40 0.00 0.00 41.96 40.96 3k44 s TYR 84 CO 0.06 -0.06 -0.12 -0.51 -1.57 0.00 0.00 175.55 173.34 3k44 s LEU 85 N -0.01 1.79 0.73 -1.29 1.43 0.16 -4.99 118.68 116.49 3k44 s LEU 85 Ca 0.00 -0.27 -0.14 0.00 -1.03 0.00 0.00 54.13 52.70 3k44 s LEU 85 Cb -0.07 -0.75 0.04 0.00 0.03 0.00 0.00 46.19 45.44 3k44 s LEU 85 CO 0.00 0.09 1.14 0.00 0.23 0.00 0.00 176.35 177.81 3k44 s ALA 86 N 0.26 2.21 0.45 4.21 0.00 -1.26 -0.38 121.76 127.25 3k44 s ALA 86 Ca -0.06 0.61 0.17 0.00 0.00 0.00 0.00 51.96 52.68 3k44 s ALA 86 Cb -0.11 -3.37 1.10 0.00 0.00 0.00 0.00 23.12 20.73 3k44 s ALA 86 CO 0.02 -1.71 2.01 -0.07 0.00 0.00 0.00 175.76 176.01 3k44 h LEU 87 N -0.47 0.00 -0.22 0.00 4.07 -1.94 -1.41 115.31 115.34 3k44 h LEU 87 Ca -0.46 0.00 -0.14 0.00 0.08 0.00 0.00 57.88 57.36 3k44 h LEU 87 Cb 1.26 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.00 3k44 h LEU 87 CO 0.51 0.16 -0.41 0.77 -1.08 0.00 0.00 178.44 178.40 3k44 h SER 88 N 0.00 0.75 -0.86 -0.43 4.64 -1.96 -2.36 113.55 113.33 3k44 h SER 88 Ca -0.00 -0.54 -0.01 0.00 -0.47 0.00 0.00 61.79 60.78 3k44 h SER 88 Cb 0.31 -0.21 -0.04 0.00 -0.31 0.00 0.00 62.40 62.14 3k44 h SER 88 CO 0.02 1.14 0.51 0.74 -0.87 0.00 0.00 176.83 178.38 3k44 h THR 89 N 0.38 1.24 -0.94 2.95 2.02 -1.85 -2.62 112.91 114.09 3k44 h THR 89 Ca 0.01 -0.53 0.01 0.00 0.77 0.00 0.00 66.41 66.67 3k44 h THR 89 Cb 1.01 0.04 -0.05 0.00 -1.74 0.00 0.00 68.15 67.41 3k44 h THR 89 CO 0.09 0.25 0.61 0.00 0.37 0.00 0.00 175.52 176.84 3k44 h ALA 90 N 1.28 1.19 -0.57 6.16 0.00 -1.21 0.11 119.26 126.23 3k44 h ALA 90 Ca 0.31 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 55.10 3k44 h ALA 90 Cb -0.04 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.34 3k44 h ALA 90 CO -0.06 0.60 0.17 0.00 0.00 0.00 0.00 179.25 179.97 3k44 h ALA 91 N 1.34 0.74 -0.63 0.00 0.00 -1.25 0.32 119.26 119.77 3k44 h ALA 91 Ca 0.34 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3k44 h ALA 91 Cb -0.13 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.41 3k44 h ALA 91 CO -0.07 0.41 0.40 1.49 0.00 0.00 0.00 179.25 181.49 3k44 h GLU 92 N 0.80 0.84 -0.19 0.00 4.81 -1.22 -2.51 114.58 117.10 3k44 h GLU 92 Ca 0.18 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.33 3k44 h GLU 92 Cb 0.30 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.48 3k44 h GLU 92 CO -0.00 0.57 0.05 0.35 -0.73 0.00 0.00 179.01 179.25 3k44 h PHE 93 N 0.85 0.32 -0.68 0.92 3.57 -0.36 -1.62 116.94 119.94 3k44 h PHE 93 Ca 0.23 -0.04 0.15 0.00 3.53 0.00 0.00 57.97 61.84 3k44 h PHE 93 Cb -0.07 -0.09 -0.11 0.00 2.79 0.00 0.00 35.95 38.47 3k44 h PHE 93 CO -0.03 0.42 0.07 -0.09 -2.23 0.00 0.00 178.31 176.46 3k44 h ARG 94 N 0.13 0.17 -0.34 1.11 1.12 -0.93 -0.56 114.38 115.08 3k44 h ARG 94 Ca 0.06 -0.01 -0.03 0.00 -1.11 0.00 0.00 59.98 58.89 3k44 h ARG 94 Cb 0.26 -0.04 -0.01 0.00 -0.01 0.00 0.00 29.97 30.17 3k44 h ARG 94 CO 0.00 0.11 0.09 -0.44 -3.11 0.00 0.00 179.97 176.63 3k44 h ASP 95 N 0.18 0.51 -0.72 -3.80 3.32 -1.18 -2.57 116.42 112.16 3k44 h ASP 95 Ca 0.37 -0.22 0.05 0.00 0.02 0.00 0.00 57.03 57.25 3k44 h ASP 95 Cb 0.62 -0.13 -0.04 0.00 0.22 0.00 0.00 39.33 40.00 3k44 h ASP 95 CO -0.54 0.59 0.47 0.45 -1.72 0.00 0.00 179.24 178.50 3k44 h HIS 96 N 0.40 0.79 -0.30 4.55 3.86 -0.69 -2.82 115.15 120.93 3k44 h HIS 96 Ca 0.11 0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.31 3k44 h HIS 96 Cb 0.28 -0.26 -0.02 0.00 1.06 0.00 0.00 27.41 28.47 3k44 h HIS 96 CO 0.01 0.44 0.05 -0.07 0.86 0.00 0.00 177.93 179.22 3k44 h LEU 97 N 0.80 0.40 -0.46 2.43 3.38 -0.69 0.98 115.31 122.15 3k44 h LEU 97 Ca 0.30 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.21 3k44 h LEU 97 Cb 0.17 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 3k44 h LEU 97 CO -0.09 0.43 0.28 0.28 0.09 0.00 0.00 178.44 179.43 3k44 h SER 98 N 0.43 0.55 -0.31 -0.43 0.02 -1.45 -1.08 113.55 111.29 3k44 h SER 98 Ca 0.10 -0.05 -0.11 0.00 -0.84 0.00 0.00 61.79 60.90 3k44 h SER 98 Cb 0.20 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.60 3k44 h SER 98 CO -0.00 0.44 -0.22 -1.28 -1.14 0.00 0.00 176.83 174.63 3k44 h SER 99 N 0.62 0.74 -0.36 3.07 0.87 -1.32 -2.55 113.55 114.62 3k44 h SER 99 Ca 0.17 -0.44 -0.05 0.00 -1.23 0.00 0.00 61.79 60.24 3k44 h SER 99 Cb -0.02 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 61.72 3k44 h SER 99 CO -0.03 1.02 0.06 -0.26 -0.53 0.00 0.00 176.83 177.09 3k44 h PHE 100 N 0.46 0.70 -0.10 2.24 0.04 -0.75 -2.27 116.94 117.27 3k44 h PHE 100 Ca 0.06 -0.07 -0.00 0.00 2.80 0.00 0.00 57.97 60.76 3k44 h PHE 100 Cb 0.78 -0.20 -0.00 0.00 2.20 0.00 0.00 35.95 38.72 3k44 h PHE 100 CO 0.07 0.63 0.05 1.03 -0.60 0.00 0.00 178.31 179.49 3k44 h SER 101 N 0.65 0.12 -1.00 2.17 0.87 -1.13 -0.09 113.55 115.14 3k44 h SER 101 Ca 0.14 -0.09 0.04 0.00 -1.23 0.00 0.00 61.79 60.65 3k44 h SER 101 Cb 0.32 -0.03 -0.06 0.00 -0.44 0.00 0.00 62.40 62.19 3k44 h SER 101 CO 0.00 0.17 0.66 -0.78 -0.53 0.00 0.00 176.83 176.35 3k44 h ASP 102 N 0.06 1.09 0.26 6.23 3.58 -1.31 -0.68 116.42 125.65 3k44 h ASP 102 Ca 0.03 -0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.46 3k44 h ASP 102 Cb 0.08 -0.25 0.00 0.00 1.72 0.00 0.00 39.33 40.88 3k44 h ASP 102 CO -0.01 0.75 -0.12 0.22 -2.88 0.00 0.00 179.24 177.20 3k44 h TYR 103 N 1.27 -0.32 -0.71 0.28 3.20 -1.28 -2.96 116.97 116.45 3k44 h TYR 103 Ca 0.40 -0.01 0.15 0.00 3.14 0.00 0.00 58.73 62.41 3k44 h TYR 103 Cb 0.00 0.11 -0.10 0.00 1.54 0.00 0.00 36.73 38.28 3k44 h TYR 103 CO -0.00 -0.07 0.18 -0.92 -1.64 0.00 0.00 178.16 175.71 3k44 h TYR 104 N -0.54 0.28 0.00 -3.82 3.20 -0.59 -1.03 116.97 114.48 3k44 h TYR 104 Ca -0.04 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.88 3k44 h TYR 104 Cb 0.40 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.65 3k44 h TYR 104 CO -0.01 -0.06 0.00 0.00 -1.64 0.00 0.00 178.16 176.45 3k44 h ALA 105 N 1.57 1.00 -0.00 1.82 0.00 -1.13 -2.86 119.26 119.66 3k44 h ALA 105 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.30 3k44 h ALA 105 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.43 3k44 h ALA 105 CO -0.48 0.00 -0.39 -1.13 0.00 0.00 0.00 179.25 177.25 3k44 n SER 106 N -2.57 0.57 -0.01 0.00 3.41 -0.40 -4.46 113.62 110.16 3k44 n SER 106 Ca 0.01 -0.34 -0.14 0.00 -0.26 0.00 0.00 58.87 58.14 3k44 n SER 106 Cb 0.25 0.16 -0.02 0.00 -0.26 0.00 0.00 64.21 64.34 3k44 n SER 106 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3k44 h LEU 107 N 0.28 0.80 0.00 1.04 3.38 -1.40 -3.50 115.31 115.90 3k44 h LEU 107 Ca 0.00 -0.48 0.15 0.00 0.09 0.00 0.00 57.88 57.64 3k44 h LEU 107 Cb 0.49 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.97 3k44 h LEU 107 CO 0.00 1.26 -0.20 0.61 0.09 0.00 0.00 178.44 180.20 3k44 n GLY 108 N 0.52 -1.83 3.77 0.83 0.00 -1.26 -4.89 105.19 102.33 3k44 n GLY 108 Ca -0.05 -1.26 -0.32 0.00 0.00 0.00 0.00 46.02 44.38 3k44 n GLY 108 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3k44 s PRO 109 N -1.11 2.70 1.31 1.61 0.04 -1.26 -5.05 135.00 133.23 3k44 s PRO 109 Ca 0.00 1.30 -0.18 0.00 0.04 0.00 0.00 61.00 62.16 3k44 s PRO 109 Cb 0.00 -1.94 0.33 0.00 0.04 0.00 0.00 34.50 32.93 3k44 s PRO 109 CO 0.00 -1.32 0.97 -2.14 0.04 0.00 0.00 177.00 174.55 3k44 s PRO 110 N -4.36 -2.04 0.00 0.56 0.02 -1.26 -5.25 135.00 122.67 3k44 s PRO 110 Ca 0.65 0.47 0.00 0.00 0.02 0.00 0.00 61.00 62.14 3k44 s PRO 110 Cb -0.19 -1.45 0.00 0.00 0.02 0.00 0.00 34.50 32.88 3k44 s PRO 110 CO 0.46 -4.38 0.00 -1.71 -0.33 0.00 0.00 177.00 171.04 3k44 n ASN 111 N -5.33 0.00 -0.93 2.53 2.85 -1.26 -5.24 115.26 107.88 3k44 n ASN 111 Ca 0.07 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.54 3k44 n ASN 111 Cb 0.57 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.59 3k44 n ASN 111 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 3k44 n ASN 114 N 0.00 -1.24 -2.84 1.20 3.02 -1.26 -5.22 115.26 108.92 3k44 n ASN 114 Ca 0.00 0.00 -0.37 0.00 -0.03 0.00 0.00 54.58 54.18 3k44 n ASN 114 Cb 0.00 -0.62 0.02 0.00 -0.61 0.00 0.00 39.78 38.57 3k44 n ASN 114 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 3k44 n LEU 115 N -0.40 7.32 -0.39 3.41 -0.00 -1.26 -4.62 117.00 121.05 3k44 n LEU 115 Ca 0.00 -4.69 0.12 0.00 -0.00 0.00 0.00 56.01 51.44 3k44 n LEU 115 Cb 0.09 -1.11 0.17 0.00 -0.00 0.00 0.00 43.42 42.57 3k44 n LEU 115 CO 0.00 1.76 0.46 -0.81 -0.00 0.00 0.00 177.39 178.80 3k44 n PRO 116 N -0.24 1.07 -3.74 1.96 -0.04 -1.26 -4.97 135.00 127.78 3k44 n PRO 116 Ca 0.53 -0.79 -0.33 0.00 -0.04 0.00 0.00 63.50 62.87 3k44 n PRO 116 Cb 0.30 -1.48 -0.05 0.00 -0.04 0.00 0.00 33.50 32.22 3k44 n PRO 116 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3k44 s GLU 117 N -2.48 3.59 0.00 0.54 2.02 -1.26 -5.16 118.70 115.95 3k44 s GLU 117 Ca 0.21 -0.12 0.00 0.00 0.02 0.00 0.00 54.97 55.08 3k44 s GLU 117 Cb 0.19 -2.97 0.00 0.00 0.10 0.00 0.00 34.13 31.44 3k44 s GLU 117 CO 0.55 0.56 0.00 0.41 0.02 0.00 0.00 175.26 176.80 3k44 n GLY 119 N 0.54 1.66 3.74 -1.39 0.00 -1.26 -4.62 105.19 103.87 3k44 n GLY 119 Ca -0.06 -1.33 -0.40 0.00 0.00 0.00 0.00 46.02 44.23 3k44 n GLY 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3k44 s LYS 120 N -4.40 4.56 -0.05 1.61 1.02 -1.26 -4.49 119.74 116.73 3k44 s LYS 120 Ca 0.00 1.18 0.14 0.00 0.02 0.00 0.00 55.97 57.31 3k44 s LYS 120 Cb 0.00 -3.37 -0.23 0.00 -0.52 0.00 0.00 37.83 33.72 3k44 s LYS 120 CO 0.00 0.26 0.60 1.28 -0.92 0.00 0.00 175.35 176.58 3k44 n LEU 121 N 2.80 0.76 -3.61 3.17 4.32 -0.39 -4.97 117.00 119.07 3k44 n LEU 121 Ca -0.01 0.36 -0.10 0.00 -0.02 0.00 0.00 56.01 56.24 3k44 n LEU 121 Cb 0.50 0.20 -0.06 0.00 -1.62 0.00 0.00 43.42 42.44 3k44 n LEU 121 CO 0.48 0.38 0.72 -0.75 -1.22 0.00 0.00 177.39 177.00 3k44 s LYS 122 N -2.61 0.57 0.01 3.23 2.20 -1.24 -5.01 119.74 116.89 3k44 s LYS 122 Ca -0.05 0.47 0.01 0.00 -0.36 0.00 0.00 55.97 56.03 3k44 s LYS 122 Cb 0.08 0.28 -0.01 0.00 -1.51 0.00 0.00 37.83 36.67 3k44 s LYS 122 CO 0.83 -0.11 -0.03 -1.12 -0.36 0.00 0.00 175.35 174.55 3k44 s SER 123 N -0.23 0.35 0.17 1.43 0.01 -1.26 -1.51 113.70 112.66 3k44 s SER 123 Ca 0.01 -0.21 0.00 0.00 1.31 0.00 0.00 55.95 57.07 3k44 s SER 123 Cb -0.03 0.01 -0.04 0.00 0.21 0.00 0.00 66.02 66.16 3k44 s SER 123 CO -0.03 -0.07 0.06 -1.61 0.41 0.00 0.00 173.24 172.00 3k44 s GLU 124 N -0.55 1.10 -0.01 12.44 0.41 -0.08 -5.03 118.70 126.98 3k44 s GLU 124 Ca -0.04 -1.55 0.01 0.00 -0.41 0.00 0.00 54.97 52.98 3k44 s GLU 124 Cb -0.04 0.02 0.01 0.00 -1.78 0.00 0.00 34.13 32.34 3k44 s GLU 124 CO -0.00 -0.25 -0.02 1.41 -0.49 0.00 0.00 175.26 175.91 3k44 s MET 125 N -4.02 0.25 0.10 1.61 1.75 -1.26 -1.13 119.30 116.59 3k44 s MET 125 Ca 0.28 -0.03 0.10 0.00 -1.25 0.00 0.00 55.69 54.79 3k44 s MET 125 Cb 0.07 -0.31 -0.04 0.00 2.84 0.00 0.00 34.83 37.39 3k44 s MET 125 CO 0.06 -0.01 -0.23 -1.64 -0.65 0.00 0.00 175.02 172.54 3k44 s MET 126 N 0.34 1.67 -0.05 4.11 -1.94 0.63 -4.98 119.30 119.09 3k44 s MET 126 Ca -0.03 -1.21 0.05 0.00 -1.71 0.00 0.00 55.69 52.79 3k44 s MET 126 Cb -0.06 -2.01 -0.01 0.00 2.01 0.00 0.00 34.83 34.76 3k44 s MET 126 CO -0.01 0.48 -0.20 0.42 -0.01 0.00 0.00 175.02 175.70 3k44 s ILE 127 N -1.02 1.68 -0.32 2.53 -1.09 -1.26 -0.14 121.20 121.58 3k44 s ILE 127 Ca 0.15 -0.86 0.00 0.00 -2.23 0.00 0.00 60.65 57.71 3k44 s ILE 127 Cb -0.10 -1.43 0.14 0.00 -1.58 0.00 0.00 42.46 39.49 3k44 s ILE 127 CO 0.06 0.48 0.31 -0.75 -1.23 0.00 0.00 174.94 173.81 3k44 s LYS 128 N -0.06 0.42 5.47 2.79 2.47 0.18 -4.99 119.74 126.02 3k44 s LYS 128 Ca -0.03 -0.43 0.00 0.00 -1.56 0.00 0.00 55.97 53.95 3k44 s LYS 128 Cb -0.12 -0.73 0.00 0.00 -1.46 0.00 0.00 37.83 35.52 3k44 s LYS 128 CO 0.03 -1.09 0.00 -0.25 0.16 0.00 0.00 175.35 174.20 3k44 n ASP 129 N 4.93 0.00 -0.63 1.43 8.00 -1.26 -0.64 116.55 128.38 3k44 n ASP 129 Ca 0.02 0.00 0.13 0.00 0.71 0.00 0.00 54.79 55.65 3k44 n ASP 129 Cb 0.45 0.00 0.34 0.00 -0.02 0.00 0.00 41.12 41.90 3k44 n ASP 129 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3k44 n TYR 130 N 0.63 0.00 -3.71 1.24 4.01 -1.26 -4.88 117.16 113.18 3k44 n TYR 130 Ca 0.00 0.00 -0.36 0.00 -0.16 0.00 0.00 57.90 57.38 3k44 n TYR 130 Cb 0.00 -0.01 -0.09 0.00 -0.31 0.00 0.00 39.34 38.93 3k44 n TYR 130 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 3k44 s ARG 131 N -2.05 4.13 -0.02 -0.72 0.52 0.19 -1.99 118.95 119.01 3k44 s ARG 131 Ca 0.33 -0.25 0.03 0.00 -0.52 0.00 0.00 55.73 55.32 3k44 s ARG 131 Cb 0.20 -3.46 -0.03 0.00 0.52 0.00 0.00 34.95 32.18 3k44 s ARG 131 CO 0.35 0.20 -0.09 1.03 0.02 0.00 0.00 175.30 176.80 3k44 s ARG 132 N 0.65 2.53 -0.16 3.54 0.52 0.12 -0.65 118.95 125.50 3k44 s ARG 132 Ca 0.08 -0.71 0.00 0.00 -0.52 0.00 0.00 55.73 54.58 3k44 s ARG 132 Cb -0.12 -2.46 0.03 0.00 0.52 0.00 0.00 34.95 32.92 3k44 s ARG 132 CO 0.01 0.61 -0.11 0.71 0.02 0.00 0.00 175.30 176.54 3k44 s TYR 133 N -0.91 2.03 -0.27 -0.53 2.02 0.80 -0.98 117.35 119.52 3k44 s TYR 133 Ca 0.15 -1.20 -0.12 0.00 -0.37 0.00 0.00 57.07 55.53 3k44 s TYR 133 Cb -0.11 -1.50 -0.05 0.00 -0.40 0.00 0.00 41.96 39.91 3k44 s TYR 133 CO 0.05 -0.65 0.25 0.71 -1.57 0.00 0.00 175.55 174.33 3k44 s TYR 134 N 1.53 3.24 -0.48 2.71 2.02 0.19 -0.27 117.35 126.29 3k44 s TYR 134 Ca 0.03 0.24 -0.13 0.00 -0.37 0.00 0.00 57.07 56.83 3k44 s TYR 134 Cb -0.14 -2.43 0.10 0.00 -0.40 0.00 0.00 41.96 39.09 3k44 s TYR 134 CO -0.09 -0.15 0.39 -0.51 -1.57 0.00 0.00 175.55 173.62 3k44 s LEU 135 N 1.75 5.69 -0.28 -1.29 1.43 -0.29 -1.40 118.68 124.29 3k44 s LEU 135 Ca 0.10 -1.57 0.02 0.00 -1.03 0.00 0.00 54.13 51.64 3k44 s LEU 135 Cb -0.16 -2.12 0.06 0.00 0.03 0.00 0.00 46.19 44.00 3k44 s LEU 135 CO 0.10 -0.69 -0.07 -1.81 0.23 0.00 0.00 176.35 174.12 3k44 s ASP 136 N 2.77 4.60 -0.39 2.29 1.01 -0.29 -0.90 116.67 125.77 3k44 s ASP 136 Ca 0.04 -1.41 -0.28 0.00 0.71 0.00 0.00 52.55 51.60 3k44 s ASP 136 Cb -0.26 -1.60 -0.01 0.00 1.01 0.00 0.00 42.92 42.06 3k44 s ASP 136 CO 0.04 -0.23 1.69 -0.22 0.21 0.00 0.00 175.17 176.66 3k44 s LEU 137 N 1.13 3.50 0.00 1.23 2.96 -0.57 -0.96 118.68 125.97 3k44 s LEU 137 Ca -0.07 1.05 0.02 0.00 -0.22 0.00 0.00 54.13 54.92 3k44 s LEU 137 Cb -0.20 -3.40 0.02 0.00 0.50 0.00 0.00 46.19 43.11 3k44 s LEU 137 CO -0.04 -1.71 0.19 0.29 -1.32 0.00 0.00 176.35 173.77 3k44 n LYS 138 N 8.42 0.82 -3.85 1.98 5.02 0.48 -1.26 118.16 129.76 3k44 n LYS 138 Ca 0.21 -3.22 -0.12 0.00 -2.02 0.00 0.00 58.31 53.16 3k44 n LYS 138 Cb 0.48 0.60 -0.12 0.00 -0.02 0.00 0.00 35.03 35.97 3k44 n LYS 138 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 3k44 s GLU 139 N -3.85 0.26 0.00 1.97 2.12 -1.26 -1.61 118.70 116.33 3k44 s GLU 139 Ca 0.15 -0.06 0.00 0.00 0.36 0.00 0.00 54.97 55.41 3k44 s GLU 139 Cb -0.01 0.11 0.00 0.00 0.26 0.00 0.00 34.13 34.49 3k44 s GLU 139 CO 0.09 -0.05 0.00 0.27 -0.54 0.00 0.00 175.26 175.03 3k44 n ASN 140 N 2.43 0.00 -0.08 -1.70 2.04 -0.28 -4.89 115.26 112.78 3k44 n ASN 140 Ca -0.16 -0.47 0.12 0.00 -0.44 0.00 0.00 54.58 53.62 3k44 n ASN 140 Cb 0.58 0.00 0.50 0.00 -2.53 0.00 0.00 39.78 38.33 3k44 n ASN 140 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 3k44 h ALA 141 N 1.39 2.01 -0.00 -2.53 0.00 -2.02 -2.52 119.26 115.60 3k44 h ALA 141 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3k44 h ALA 141 Cb 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3k44 h ALA 141 CO 0.00 -0.14 -0.71 -2.13 0.00 0.00 0.00 179.25 176.27 3k44 n ARG 142 N -4.47 0.15 0.00 0.00 0.63 -1.26 -5.06 116.66 106.64 3k44 n ARG 142 Ca 0.09 -0.11 0.00 0.00 -0.92 0.00 0.00 57.85 56.92 3k44 n ARG 142 Cb 0.36 -1.50 0.00 0.00 0.45 0.00 0.00 32.46 31.77 3k44 n ARG 142 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3k44 n GLY 143 N 1.48 0.90 3.87 5.14 0.00 -0.95 -5.08 105.19 110.56 3k44 n GLY 143 Ca 0.06 -1.95 -0.36 0.00 0.00 0.00 0.00 46.02 43.76 3k44 n GLY 143 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3k44 s ARG 144 N -1.67 3.57 -0.02 1.61 0.52 -1.26 -1.13 118.95 120.57 3k44 s ARG 144 Ca 0.00 -0.02 -0.15 0.00 -0.52 0.00 0.00 55.73 55.04 3k44 s ARG 144 Cb 0.00 -3.16 0.02 0.00 0.52 0.00 0.00 34.95 32.33 3k44 s ARG 144 CO 0.00 0.72 0.32 -0.59 0.02 0.00 0.00 175.30 175.77 3k44 s PHE 145 N -1.13 -0.20 -0.49 -0.53 -0.71 -0.63 -0.84 117.98 113.45 3k44 s PHE 145 Ca 0.21 0.32 -0.20 0.00 -1.04 0.00 0.00 56.93 56.21 3k44 s PHE 145 Cb -0.13 0.11 0.04 0.00 -1.21 0.00 0.00 43.02 41.83 3k44 s PHE 145 CO 0.10 -0.39 0.68 -1.17 -1.34 0.00 0.00 175.22 173.10 3k44 s LEU 146 N -1.25 4.67 -0.05 -1.99 2.96 0.11 -0.38 118.68 122.75 3k44 s LEU 146 Ca -0.13 -0.64 -0.30 0.00 -0.22 0.00 0.00 54.13 52.85 3k44 s LEU 146 Cb -0.05 -2.60 -0.03 0.00 0.50 0.00 0.00 46.19 44.01 3k44 s LEU 146 CO 0.04 -0.91 1.14 -0.60 -1.32 0.00 0.00 176.35 174.70 3k44 s ARG 147 N 2.91 4.39 -0.22 1.98 3.52 -0.14 -1.19 118.95 130.20 3k44 s ARG 147 Ca 0.20 1.61 0.02 0.00 -0.13 0.00 0.00 55.73 57.43 3k44 s ARG 147 Cb -0.16 -3.52 0.04 0.00 -1.56 0.00 0.00 34.95 29.75 3k44 s ARG 147 CO 0.15 -0.36 -0.15 0.54 -0.81 0.00 0.00 175.30 174.68 3k44 s VAL 148 N 1.92 2.09 -0.18 7.11 0.11 0.04 -1.14 120.40 130.35 3k44 s VAL 148 Ca 0.54 -1.32 -0.04 0.00 -2.93 0.00 0.00 61.98 58.24 3k44 s VAL 148 Cb -0.24 -2.08 -0.02 0.00 -1.53 0.00 0.00 36.38 32.52 3k44 s VAL 148 CO 0.23 0.21 -0.03 -0.44 -3.33 0.00 0.00 175.10 171.74 3k44 s SER 149 N 1.20 4.65 -0.19 3.54 0.01 -0.50 -1.65 113.70 120.77 3k44 s SER 149 Ca -0.03 -0.22 -0.06 0.00 1.31 0.00 0.00 55.95 56.95 3k44 s SER 149 Cb -0.17 -1.78 -0.04 0.00 0.21 0.00 0.00 66.02 64.25 3k44 s SER 149 CO -0.08 0.10 0.04 -1.58 0.41 0.00 0.00 173.24 172.12 3k44 s GLN 150 N 0.80 3.83 -0.03 12.44 0.74 0.89 -0.64 119.66 137.69 3k44 s GLN 150 Ca -0.01 -0.41 0.03 0.00 0.05 0.00 0.00 55.36 55.01 3k44 s GLN 150 Cb -0.14 -3.16 0.00 0.00 1.10 0.00 0.00 33.01 30.81 3k44 s GLN 150 CO 0.02 0.17 -0.10 0.95 -0.55 0.00 0.00 175.29 175.78 3k44 s THR 151 N 0.62 0.90 -0.39 -0.34 -4.23 -0.15 -1.80 115.64 110.24 3k44 s THR 151 Ca 0.02 -0.42 -0.11 0.00 -1.18 0.00 0.00 61.69 59.99 3k44 s THR 151 Cb -0.13 -0.79 0.04 0.00 1.34 0.00 0.00 72.50 72.95 3k44 s THR 151 CO 0.02 0.28 0.23 -0.63 -0.54 0.00 0.00 174.62 173.97 3k44 s ILE 152 N 0.17 4.56 0.87 2.99 1.09 -1.13 -0.71 121.20 129.04 3k44 s ILE 152 Ca -0.03 -0.98 -0.11 0.00 -1.10 0.00 0.00 60.65 58.43 3k44 s ILE 152 Cb -0.09 -3.61 0.11 0.00 -1.06 0.00 0.00 42.46 37.81 3k44 s ILE 152 CO 0.01 -0.32 1.09 0.42 -0.10 0.00 0.00 174.94 176.04 3k44 s THR 153 N 1.54 2.80 -1.14 2.92 -4.23 -0.84 -1.21 115.64 115.48 3k44 s THR 153 Ca 0.02 0.26 -0.06 0.00 -1.18 0.00 0.00 61.69 60.73 3k44 s THR 153 Cb -0.20 -2.71 0.01 0.00 1.34 0.00 0.00 72.50 70.93 3k44 s THR 153 CO 0.06 -0.34 0.79 0.54 -0.54 0.00 0.00 174.62 175.12 3k44 n ARG 154 N -3.83 -5.51 0.00 3.99 3.00 -1.26 -4.01 116.66 109.04 3k44 n ARG 154 Ca 0.08 0.68 0.00 0.00 -0.01 0.00 0.00 57.85 58.60 3k44 n ARG 154 Cb 0.54 -5.20 0.00 0.00 0.00 0.00 0.00 32.46 27.81 3k44 n ARG 154 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3k44 n GLY 155 N -1.59 0.92 3.43 -0.13 0.00 -1.25 -5.11 105.19 101.45 3k44 n GLY 155 Ca -0.03 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.72 3k44 n GLY 155 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k44 n GLY 156 N -0.65 -1.88 3.79 -0.02 0.00 -0.35 -5.05 105.19 101.03 3k44 n GLY 156 Ca 0.00 -1.64 -0.35 0.00 0.00 0.00 0.00 46.02 44.03 3k44 n GLY 156 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3k44 s PRO 157 N -5.54 3.76 0.18 1.61 0.04 -1.26 -4.70 135.00 129.09 3k44 s PRO 157 Ca 0.68 1.49 0.08 0.00 0.04 0.00 0.00 61.00 63.28 3k44 s PRO 157 Cb -0.03 -2.19 -0.04 0.00 0.04 0.00 0.00 34.50 32.28 3k44 s PRO 157 CO 0.49 -0.49 -0.03 -0.98 0.04 0.00 0.00 177.00 176.03 3k44 s ARG 158 N -3.06 2.29 0.03 4.56 1.70 -1.26 -2.86 118.95 120.36 3k44 s ARG 158 Ca 0.66 -1.16 -0.29 0.00 -0.47 0.00 0.00 55.73 54.48 3k44 s ARG 158 Cb -0.20 -2.29 0.10 0.00 -0.57 0.00 0.00 34.95 31.98 3k44 s ARG 158 CO 0.24 0.45 1.07 -1.54 -1.08 0.00 0.00 175.30 174.44 3k44 s SER 159 N -2.91 -0.18 0.07 -2.89 1.04 -0.75 -5.01 113.70 103.07 3k44 s SER 159 Ca 0.27 -0.20 -0.13 0.00 0.48 0.00 0.00 55.95 56.37 3k44 s SER 159 Cb -0.09 0.33 0.02 0.00 0.10 0.00 0.00 66.02 66.38 3k44 s SER 159 CO 0.17 -0.59 0.29 0.00 0.98 0.00 0.00 173.24 174.09 3k44 s GLN 160 N -2.91 0.86 0.17 4.02 -2.07 -1.26 -0.08 119.66 118.40 3k44 s GLN 160 Ca 0.11 -0.67 0.09 0.00 -1.82 0.00 0.00 55.36 53.07 3k44 s GLN 160 Cb 0.00 0.37 -0.04 0.00 -1.09 0.00 0.00 33.01 32.25 3k44 s GLN 160 CO -0.03 -0.29 -0.18 0.96 -1.32 0.00 0.00 175.29 174.44 3k44 s ILE 161 N -3.12 1.84 -0.28 3.63 -4.36 -0.66 -4.29 121.20 113.96 3k44 s ILE 161 Ca -0.01 -1.98 0.02 0.00 -0.26 0.00 0.00 60.65 58.42 3k44 s ILE 161 Cb 0.01 -1.89 0.08 0.00 1.25 0.00 0.00 42.46 41.91 3k44 s ILE 161 CO -0.07 -0.35 -0.00 0.00 0.24 0.00 0.00 174.94 174.75 3k44 s ALA 162 N -2.19 2.21 -0.42 2.27 0.00 -1.26 -0.78 121.76 121.60 3k44 s ALA 162 Ca 0.17 -1.78 -0.18 0.00 0.00 0.00 0.00 51.96 50.16 3k44 s ALA 162 Cb -0.05 -1.63 0.02 0.00 0.00 0.00 0.00 23.12 21.46 3k44 s ALA 162 CO 0.07 -1.41 0.51 -1.17 0.00 0.00 0.00 175.76 173.76 3k44 s LEU 163 N 1.26 4.68 0.23 0.00 1.98 -0.33 -4.90 118.68 121.60 3k44 s LEU 163 Ca 0.01 -0.49 -0.31 0.00 -2.89 0.00 0.00 54.13 50.45 3k44 s LEU 163 Cb -0.19 -2.52 -0.14 0.00 0.66 0.00 0.00 46.19 44.00 3k44 s LEU 163 CO -0.10 -0.63 1.30 -2.65 -1.89 0.00 0.00 176.35 172.38 3k44 n PRO 164 N 5.84 1.72 -0.25 0.98 -0.02 -1.26 0.09 135.00 142.10 3k44 n PRO 164 Ca -0.05 0.61 0.12 0.00 -2.02 0.00 0.00 63.50 62.16 3k44 n PRO 164 Cb 0.48 -2.20 0.38 0.00 -0.02 0.00 0.00 33.50 32.15 3k44 n PRO 164 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3k44 h ALA 165 N 3.71 1.84 0.00 3.55 0.00 -1.31 -1.24 119.26 125.81 3k44 h ALA 165 Ca -0.44 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.48 3k44 h ALA 165 Cb 1.30 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.96 3k44 h ALA 165 CO 0.72 -0.07 0.19 -0.56 0.00 0.00 0.00 179.25 179.54 3k44 h GLN 166 N 0.68 0.00 -0.27 0.00 3.07 -1.88 -2.16 115.11 114.55 3k44 h GLN 166 Ca 0.43 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.17 3k44 h GLN 166 Cb 0.68 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.24 3k44 h GLN 166 CO -0.19 0.00 0.00 0.41 0.09 0.00 0.00 178.83 179.14 3k44 n GLY 167 N -1.19 1.37 0.30 0.06 0.00 -0.47 -4.62 105.19 100.64 3k44 n GLY 167 Ca -0.02 -0.69 -0.05 0.00 0.00 0.00 0.00 46.02 45.26 3k44 n GLY 167 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 3k44 h MET 168 N 4.29 1.02 -0.70 1.61 2.86 -1.50 -0.86 114.93 121.65 3k44 h MET 168 Ca 0.00 -0.07 -0.07 0.00 -2.06 0.00 0.00 59.70 57.50 3k44 h MET 168 Cb 0.94 -0.22 -0.03 0.00 0.06 0.00 0.00 31.60 32.34 3k44 h MET 168 CO 0.00 0.69 0.17 0.82 1.06 0.00 0.00 176.91 179.65 3k44 h ILE 169 N 1.04 1.26 -0.57 -1.22 1.08 -1.83 0.34 117.51 117.62 3k44 h ILE 169 Ca 0.28 -0.98 -0.06 0.00 -0.39 0.00 0.00 64.86 63.71 3k44 h ILE 169 Cb -0.09 0.55 -0.02 0.00 -3.07 0.00 0.00 36.82 34.19 3k44 h ILE 169 CO -0.06 0.38 0.11 -0.33 -0.69 0.00 0.00 178.15 177.56 3k44 h GLU 170 N 1.06 0.93 -0.02 2.37 4.39 -1.70 -0.04 114.58 121.58 3k44 h GLU 170 Ca 0.22 -0.24 -0.00 0.00 0.34 0.00 0.00 59.36 59.68 3k44 h GLU 170 Cb 0.38 -0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 28.92 3k44 h GLU 170 CO 0.00 0.88 0.00 0.35 -1.16 0.00 0.00 179.01 179.09 3k44 h PHE 171 N 0.83 0.03 -0.39 4.33 3.04 -1.04 -0.85 116.94 122.89 3k44 h PHE 171 Ca 0.17 -0.00 0.08 0.00 3.98 0.00 0.00 57.97 62.20 3k44 h PHE 171 Cb 0.39 -0.01 -0.09 0.00 2.56 0.00 0.00 35.95 38.81 3k44 h PHE 171 CO 0.03 0.24 -0.25 -0.09 -2.02 0.00 0.00 178.31 176.22 3k44 h ARG 172 N -0.20 -0.18 -0.76 1.11 2.43 -0.79 -0.65 114.38 115.35 3k44 h ARG 172 Ca 0.00 0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.17 3k44 h ARG 172 Cb 0.23 0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.78 3k44 h ARG 172 CO 0.00 -0.12 0.39 -0.44 -1.51 0.00 0.00 179.97 178.29 3k44 h ASP 173 N -0.18 0.97 -0.45 -3.80 3.32 -0.94 -0.54 116.42 114.80 3k44 h ASP 173 Ca 0.19 -0.12 0.04 0.00 0.02 0.00 0.00 57.03 57.16 3k44 h ASP 173 Cb 0.47 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 39.74 3k44 h ASP 173 CO -0.49 0.81 0.21 0.00 -1.72 0.00 0.00 179.24 178.05 3k44 h ALA 174 N 1.20 0.56 -0.62 3.45 0.00 -0.70 -2.42 119.26 120.73 3k44 h ALA 174 Ca 0.26 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 3k44 h ALA 174 Cb 0.08 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 3k44 h ALA 174 CO -0.04 -0.15 0.35 -0.07 0.00 0.00 0.00 179.25 179.34 3k44 h LEU 175 N 0.43 0.77 -0.93 0.00 4.07 -0.86 -2.24 115.31 116.56 3k44 h LEU 175 Ca 0.20 -0.09 0.06 0.00 0.08 0.00 0.00 57.88 58.13 3k44 h LEU 175 Cb 0.12 -0.20 -0.06 0.00 1.08 0.00 0.00 40.66 41.60 3k44 h LEU 175 CO -0.15 0.64 0.59 0.74 -1.08 0.00 0.00 178.44 179.18 3k44 h THR 176 N 0.85 1.07 0.00 0.22 2.02 -0.84 0.68 112.91 116.90 3k44 h THR 176 Ca 0.22 -0.37 -0.11 0.00 0.77 0.00 0.00 66.41 66.92 3k44 h THR 176 Cb 0.03 -0.10 -0.02 0.00 -1.74 0.00 0.00 68.15 66.33 3k44 h THR 176 CO -0.04 0.20 -1.04 -2.24 0.37 0.00 0.00 175.52 172.77 3k44 h ASP 177 N 1.08 0.00 -0.56 4.18 2.03 -1.26 -1.21 116.42 120.68 3k44 h ASP 177 Ca 0.40 0.00 -0.02 0.00 -0.73 0.00 0.00 57.03 56.68 3k44 h ASP 177 Cb 0.16 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 38.63 3k44 h ASP 177 CO -0.17 0.41 0.28 -0.07 -1.03 0.00 0.00 179.24 178.66 3k44 h LEU 178 N 0.00 0.72 -0.77 0.15 3.38 -1.17 -3.06 115.31 114.55 3k44 h LEU 178 Ca -0.08 -0.12 -0.10 0.00 0.09 0.00 0.00 57.88 57.67 3k44 h LEU 178 Cb 1.39 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.94 3k44 h LEU 178 CO 0.04 0.63 -0.12 -0.07 0.09 0.00 0.00 178.44 179.01 3k44 h LEU 179 N 0.75 0.80 -0.88 1.67 3.38 -0.76 -1.65 115.31 118.63 3k44 h LEU 179 Ca 0.19 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 3k44 h LEU 179 Cb 0.10 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.59 3k44 h LEU 179 CO -0.03 0.94 0.53 -0.33 0.09 0.00 0.00 178.44 179.64 3k44 h GLU 180 N 0.73 1.19 0.09 1.13 5.08 -1.23 -1.00 114.58 120.58 3k44 h GLU 180 Ca 0.12 -0.11 -0.26 0.00 -1.00 0.00 0.00 59.36 58.11 3k44 h GLU 180 Cb 0.62 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 3k44 h GLU 180 CO 0.04 0.84 -1.22 0.93 -1.00 0.00 0.00 179.01 178.60 3k44 h GLU 181 N 1.21 0.20 0.00 2.33 4.39 -1.43 -3.40 114.58 117.89 3k44 h GLU 181 Ca 0.32 -0.34 0.00 0.00 0.34 0.00 0.00 59.36 59.68 3k44 h GLU 181 Cb -0.05 0.13 0.00 0.00 -0.10 0.00 0.00 28.75 28.73 3k44 h GLU 181 CO -0.06 1.14 0.00 1.19 -1.16 0.00 0.00 179.01 180.13 3k44 n PHE 182 N -3.47 0.00 0.40 4.33 3.72 -0.63 -5.12 117.46 116.68 3k44 n PHE 182 Ca -0.07 -0.24 0.05 0.00 -0.05 0.00 0.00 57.45 57.14 3k44 n PHE 182 Cb 1.01 -0.02 0.04 0.00 -0.94 0.00 0.00 39.48 39.56 3k44 n PHE 182 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12