#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2itf n GLN 63 N 0.00 1.73 -3.06 4.33 6.02 -1.26 -4.94 117.38 120.20 2itf n GLN 63 Ca 0.00 -1.10 -0.35 0.00 -0.01 0.00 0.00 57.00 55.53 2itf n GLN 63 Cb 0.00 -1.37 -0.06 0.00 1.02 0.00 0.00 30.24 29.83 2itf n GLN 63 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2itf s ALA 64 N -1.75 3.35 -0.07 -1.58 0.00 -1.26 -4.81 121.76 115.64 2itf s ALA 64 Ca 0.31 0.18 0.02 0.00 0.00 0.00 0.00 51.96 52.47 2itf s ALA 64 Cb 0.16 -2.86 -0.02 0.00 0.00 0.00 0.00 23.12 20.40 2itf s ALA 64 CO 0.24 0.30 -0.13 0.99 0.00 0.00 0.00 175.76 177.17 2itf s THR 65 N -1.69 3.13 0.03 0.00 2.01 -0.54 -4.98 115.64 113.61 2itf s THR 65 Ca 0.48 -0.68 -0.06 0.00 0.31 0.00 0.00 61.69 61.74 2itf s THR 65 Cb -0.15 -2.26 -0.01 0.00 0.01 0.00 0.00 72.50 70.10 2itf s THR 65 CO 0.20 0.57 0.10 -0.94 -0.69 0.00 0.00 174.62 173.86 2itf s SER 66 N -0.45 0.14 0.02 3.53 1.04 -1.26 -0.00 113.70 116.73 2itf s SER 66 Ca 0.06 -0.44 -0.22 0.00 0.48 0.00 0.00 55.95 55.83 2itf s SER 66 Cb -0.12 0.21 0.05 0.00 0.10 0.00 0.00 66.02 66.26 2itf s SER 66 CO 0.02 -0.46 0.50 0.00 0.98 0.00 0.00 173.24 174.29 2itf s GLN 67 N -2.18 0.98 0.58 4.02 -2.07 -0.07 -4.98 119.66 115.94 2itf s GLN 67 Ca -0.09 -0.17 -0.20 0.00 -1.82 0.00 0.00 55.36 53.09 2itf s GLN 67 Cb -0.04 0.45 -0.04 0.00 -1.09 0.00 0.00 33.01 32.30 2itf s GLN 67 CO -0.03 -0.34 1.25 -2.14 -1.32 0.00 0.00 175.29 172.72 2itf s PRO 68 N -2.14 2.98 -0.02 9.60 0.02 -1.26 0.08 135.00 144.26 2itf s PRO 68 Ca -0.07 1.95 -0.00 0.00 0.02 0.00 0.00 61.00 62.90 2itf s PRO 68 Cb -0.01 -2.01 0.03 0.00 0.02 0.00 0.00 34.50 32.53 2itf s PRO 68 CO 0.01 -1.23 0.03 -1.50 -0.33 0.00 0.00 177.00 173.97 2itf s ILE 69 N -1.49 -0.06 0.44 2.83 2.07 0.32 -4.69 121.20 120.63 2itf s ILE 69 Ca 0.76 0.23 -0.18 0.00 -1.41 0.00 0.00 60.65 60.05 2itf s ILE 69 Cb -0.34 -0.09 -0.09 0.00 0.13 0.00 0.00 42.46 42.07 2itf s ILE 69 CO 0.37 0.10 0.91 0.20 -1.91 0.00 0.00 174.94 174.61 2itf s ASN 70 N 1.14 6.78 0.16 4.50 0.01 -1.26 -0.48 114.94 125.79 2itf s ASN 70 Ca -0.08 1.54 -0.21 0.00 -0.71 0.00 0.00 52.86 53.40 2itf s ASN 70 Cb -0.13 -2.49 0.06 0.00 0.41 0.00 0.00 41.25 39.10 2itf s ASN 70 CO -0.03 -0.41 0.56 0.72 -1.51 0.00 0.00 177.10 176.43 2itf s PHE 71 N -2.31 -0.43 -0.04 2.20 -0.71 -1.26 -0.74 117.98 114.69 2itf s PHE 71 Ca 0.59 0.18 -0.02 0.00 -1.04 0.00 0.00 56.93 56.64 2itf s PHE 71 Cb -0.10 0.49 0.03 0.00 -1.21 0.00 0.00 43.02 42.23 2itf s PHE 71 CO 0.21 -0.84 0.08 -1.14 -1.34 0.00 0.00 175.22 172.19 2itf s GLN 72 N -3.78 0.04 -0.02 1.99 0.74 -0.42 -4.96 119.66 113.25 2itf s GLN 72 Ca 0.02 0.22 -0.26 0.00 0.05 0.00 0.00 55.36 55.40 2itf s GLN 72 Cb -0.01 -0.15 -0.04 0.00 1.10 0.00 0.00 33.01 33.92 2itf s GLN 72 CO -0.11 -0.12 0.79 0.08 -0.55 0.00 0.00 175.29 175.37 2itf s VAL 73 N 0.82 4.92 0.15 1.34 1.01 -1.26 -0.50 120.40 126.88 2itf s VAL 73 Ca -0.07 1.65 0.09 0.00 0.00 0.00 0.00 61.98 63.66 2itf s VAL 73 Cb -0.09 -4.13 -0.04 0.00 0.00 0.00 0.00 36.38 32.12 2itf s VAL 73 CO -0.03 0.26 -0.21 -1.10 0.00 0.00 0.00 175.10 174.01 2itf s GLN 74 N 0.64 1.29 0.45 2.72 -0.21 0.71 -0.80 119.66 124.47 2itf s GLN 74 Ca 0.41 -1.35 -0.24 0.00 0.02 0.00 0.00 55.36 54.20 2itf s GLN 74 Cb -0.19 -1.52 -0.08 0.00 1.00 0.00 0.00 33.01 32.22 2itf s GLN 74 CO 0.22 0.33 1.27 0.21 -2.12 0.00 0.00 175.29 175.20 2itf s LYS 75 N -2.43 3.75 0.06 2.91 2.20 -0.42 -1.71 119.74 124.09 2itf s LYS 75 Ca 0.14 2.04 -0.34 0.00 -0.36 0.00 0.00 55.97 57.45 2itf s LYS 75 Cb -0.08 -2.55 -0.13 0.00 -1.51 0.00 0.00 37.83 33.56 2itf s LYS 75 CO 0.07 -0.64 1.68 -3.47 -0.36 0.00 0.00 175.35 172.62 2itf n ASP 76 N -0.28 3.12 0.00 1.43 2.03 -1.25 -1.52 116.55 120.07 2itf n ASP 76 Ca 0.06 1.05 0.00 0.00 0.52 0.00 0.00 54.79 56.42 2itf n ASP 76 Cb 0.45 -1.39 0.00 0.00 -0.72 0.00 0.00 41.12 39.47 2itf n ASP 76 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2itf n GLY 77 N 3.74 0.64 3.22 0.27 0.00 -1.26 -5.01 105.19 106.78 2itf n GLY 77 Ca 0.19 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.09 2itf n GLY 77 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2itf s SER 78 N -2.19 -0.14 0.00 1.61 0.15 -0.57 -5.02 113.70 107.54 2itf s SER 78 Ca 0.00 -0.02 0.22 0.00 0.70 0.00 0.00 55.95 56.85 2itf s SER 78 Cb 0.00 0.30 0.64 0.00 -1.71 0.00 0.00 66.02 65.25 2itf s SER 78 CO 0.00 -0.47 1.50 -1.54 1.20 0.00 0.00 173.24 173.93 2itf n SER 79 N 1.16 2.27 -4.78 5.45 3.41 -1.26 -4.00 113.62 115.87 2itf n SER 79 Ca -0.21 -1.80 -0.37 0.00 -0.26 0.00 0.00 58.87 56.23 2itf n SER 79 Cb 0.57 -0.13 -0.02 0.00 -0.26 0.00 0.00 64.21 64.36 2itf n SER 79 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 2itf s GLU 80 N -1.74 3.92 0.14 4.33 0.41 -1.26 -4.85 118.70 119.65 2itf s GLU 80 Ca 0.34 1.68 -0.34 0.00 -0.41 0.00 0.00 54.97 56.24 2itf s GLU 80 Cb 0.19 -2.46 -0.14 0.00 -1.78 0.00 0.00 34.13 29.94 2itf s GLU 80 CO 0.29 -0.39 1.54 1.17 -0.49 0.00 0.00 175.26 177.38 2itf n LYS 81 N -0.32 1.98 -2.49 1.61 4.81 -1.26 -1.29 118.16 121.19 2itf n LYS 81 Ca 0.06 0.71 -0.34 0.00 -0.87 0.00 0.00 58.31 57.88 2itf n LYS 81 Cb 0.49 -2.46 -0.03 0.00 0.02 0.00 0.00 35.03 33.04 2itf n LYS 81 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 2itf s SER 82 N 0.89 6.26 0.00 3.14 0.15 0.02 -4.55 113.70 119.62 2itf s SER 82 Ca 0.80 1.94 0.00 0.00 0.70 0.00 0.00 55.95 59.39 2itf s SER 82 Cb -0.73 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.02 2itf s SER 82 CO 0.40 -0.84 0.00 1.57 1.20 0.00 0.00 173.24 175.57 2itf n HIS 83 N -1.05 0.00 0.00 3.44 -0.00 -1.26 -4.10 115.22 112.25 2itf n HIS 83 Ca 0.09 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.27 2itf n HIS 83 Cb 0.52 -0.18 0.00 0.00 -0.12 0.00 0.00 29.99 30.22 2itf n HIS 83 CO 0.00 0.00 0.00 -3.47 0.46 0.00 0.00 176.34 173.33 2itf n ASP 85 N 1.61 0.00 0.08 0.26 -0.08 -1.26 -4.24 116.55 112.92 2itf n ASP 85 Ca 0.00 0.00 0.08 0.00 -1.51 0.00 0.00 54.79 53.36 2itf n ASP 85 Cb 0.00 0.00 0.38 0.00 2.34 0.00 0.00 41.12 43.84 2itf n ASP 85 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 2itf n ASP 86 N 0.00 0.35 -3.39 1.67 10.43 -1.26 -4.78 116.55 119.58 2itf n ASP 86 Ca 0.00 0.61 -0.36 0.00 2.57 0.00 0.00 54.79 57.62 2itf n ASP 86 Cb 0.00 -0.68 -0.01 0.00 1.84 0.00 0.00 41.12 42.28 2itf n ASP 86 CO 0.00 0.00 0.00 -1.22 -1.07 0.00 0.00 177.20 174.91 2itf n TYR 87 N -1.92 3.26 -4.26 1.24 4.01 -1.26 -4.99 117.16 113.23 2itf n TYR 87 Ca 0.01 -3.13 -0.30 0.00 -0.16 0.00 0.00 57.90 54.32 2itf n TYR 87 Cb 0.13 -0.92 -0.09 0.00 -0.31 0.00 0.00 39.34 38.15 2itf n TYR 87 CO 0.00 0.00 0.00 -0.65 -0.46 0.00 0.00 176.86 175.75 2itf s GLN 89 N -3.92 2.34 0.05 -0.72 -0.21 -0.28 0.20 119.66 117.12 2itf s GLN 89 Ca 0.42 -0.90 0.06 0.00 0.02 0.00 0.00 55.36 54.96 2itf s GLN 89 Cb 0.22 -2.41 -0.02 0.00 1.00 0.00 0.00 33.01 31.79 2itf s GLN 89 CO -0.12 0.54 -0.16 -1.01 -2.12 0.00 0.00 175.29 172.42 2itf s HIS 90 N -1.19 1.39 1.00 0.91 3.76 -1.26 -4.44 115.29 115.47 2itf s HIS 90 Ca 0.21 -0.38 -0.16 0.00 -0.15 0.00 0.00 55.06 54.59 2itf s HIS 90 Cb -0.11 -0.81 0.20 0.00 1.11 0.00 0.00 32.58 32.97 2itf s HIS 90 CO 0.13 0.06 1.24 -1.25 -0.85 0.00 0.00 174.74 174.08 2itf s PRO 91 N -1.30 0.35 0.00 8.40 0.04 -1.26 -5.16 135.00 136.07 2itf s PRO 91 Ca 0.03 -0.22 0.00 0.00 0.04 0.00 0.00 61.00 60.84 2itf s PRO 91 Cb -0.09 -1.79 0.00 0.00 0.04 0.00 0.00 34.50 32.66 2itf s PRO 91 CO 0.02 -2.64 0.00 0.41 0.04 0.00 0.00 177.00 174.83 2itf n GLY 92 N -2.92 0.89 3.06 0.56 0.00 0.37 -4.87 105.19 102.28 2itf n GLY 92 Ca 0.13 -1.95 -0.15 0.00 0.00 0.00 0.00 46.02 44.04 2itf n GLY 92 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2itf s LYS 93 N -1.42 0.60 -0.14 1.61 2.20 -0.37 -0.52 119.74 121.69 2itf s LYS 93 Ca 0.00 -0.61 -0.02 0.00 -0.36 0.00 0.00 55.97 54.97 2itf s LYS 93 Cb 0.00 -0.48 -0.02 0.00 -1.51 0.00 0.00 37.83 35.81 2itf s LYS 93 CO 0.00 0.11 -0.06 0.54 -0.36 0.00 0.00 175.35 175.58 2itf s VAL 94 N -0.93 3.68 -0.03 4.02 0.11 0.11 -0.41 120.40 126.96 2itf s VAL 94 Ca -0.04 -0.44 0.06 0.00 -2.93 0.00 0.00 61.98 58.63 2itf s VAL 94 Cb -0.07 -2.59 -0.01 0.00 -1.53 0.00 0.00 36.38 32.17 2itf s VAL 94 CO 0.00 0.51 -0.20 -0.63 -3.33 0.00 0.00 175.10 171.45 2itf s ILE 95 N 0.26 1.62 -0.20 7.04 1.01 -0.22 -0.89 121.20 129.81 2itf s ILE 95 Ca -0.05 -0.86 0.01 0.00 0.00 0.00 0.00 60.65 59.76 2itf s ILE 95 Cb -0.14 -1.35 0.03 0.00 0.01 0.00 0.00 42.46 41.01 2itf s ILE 95 CO 0.04 0.46 -0.16 -0.75 0.00 0.00 0.00 174.94 174.52 2itf s LYS 96 N -0.33 2.60 -0.06 2.79 2.20 1.00 -0.72 119.74 127.22 2itf s LYS 96 Ca 0.04 -0.92 -0.01 0.00 -0.36 0.00 0.00 55.97 54.72 2itf s LYS 96 Cb -0.09 -2.57 0.03 0.00 -1.51 0.00 0.00 37.83 33.69 2itf s LYS 96 CO 0.00 -0.33 0.00 -1.14 -0.36 0.00 0.00 175.35 173.53 2itf s GLN 97 N 1.29 0.55 -1.37 4.03 0.74 -0.47 -1.46 119.66 122.97 2itf s GLN 97 Ca 0.01 0.10 -0.01 0.00 0.05 0.00 0.00 55.36 55.51 2itf s GLN 97 Cb -0.15 -0.87 0.01 0.00 1.10 0.00 0.00 33.01 33.10 2itf s GLN 97 CO -0.10 -0.26 0.62 -1.71 -0.55 0.00 0.00 175.29 173.28 2itf n ASN 98 N 4.92 -1.13 -1.47 6.67 5.15 -1.26 -2.18 115.26 125.96 2itf n ASN 98 Ca -0.11 -0.89 -0.18 0.00 -0.60 0.00 0.00 54.58 52.80 2itf n ASN 98 Cb 0.50 -3.65 -0.07 0.00 -0.53 0.00 0.00 39.78 36.03 2itf n ASN 98 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 2itf n ASN 99 N -3.01 -5.20 -4.24 1.20 4.13 -1.26 -4.99 115.26 101.89 2itf n ASN 99 Ca -0.27 0.39 -0.25 0.00 1.68 0.00 0.00 54.58 56.13 2itf n ASN 99 Cb 0.67 -4.29 -0.14 0.00 -1.54 0.00 0.00 39.78 34.48 2itf n ASN 99 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 2itf s LYS 100 N -3.71 1.29 -0.02 3.52 3.01 -0.93 -5.15 119.74 117.76 2itf s LYS 100 Ca 0.00 -0.95 0.01 0.00 -1.01 0.00 0.00 55.97 54.02 2itf s LYS 100 Cb 0.00 -1.41 -0.03 0.00 -1.01 0.00 0.00 37.83 35.37 2itf s LYS 100 CO 0.00 0.35 -0.03 0.71 0.51 0.00 0.00 175.35 176.90 2itf s TYR 101 N -0.86 3.02 0.02 3.18 1.51 -1.26 -1.37 117.35 121.60 2itf s TYR 101 Ca 0.06 0.06 0.03 0.00 -1.01 0.00 0.00 57.07 56.22 2itf s TYR 101 Cb -0.09 -1.68 -0.02 0.00 -0.11 0.00 0.00 41.96 40.07 2itf s TYR 101 CO 0.02 0.42 -0.10 0.71 -1.11 0.00 0.00 175.55 175.50 2itf s TYR 102 N -0.99 0.84 -0.32 2.71 1.51 0.10 -1.61 117.35 119.60 2itf s TYR 102 Ca 0.17 -0.29 -0.16 0.00 -1.01 0.00 0.00 57.07 55.78 2itf s TYR 102 Cb -0.11 -0.52 -0.02 0.00 -0.11 0.00 0.00 41.96 41.20 2itf s TYR 102 CO 0.07 -0.01 0.43 0.12 -1.11 0.00 0.00 175.55 175.05 2itf s PHE 103 N -0.69 3.21 -0.19 2.71 5.36 0.18 -1.06 117.98 127.50 2itf s PHE 103 Ca -0.01 0.21 -0.09 0.00 -0.96 0.00 0.00 56.93 56.09 2itf s PHE 103 Cb -0.06 -2.74 -0.04 0.00 -0.34 0.00 0.00 43.02 39.84 2itf s PHE 103 CO 0.00 -0.40 0.09 -1.14 -1.46 0.00 0.00 175.22 172.31 2itf s GLN 104 N 2.18 4.06 0.03 10.12 0.74 0.46 -0.10 119.66 137.16 2itf s GLN 104 Ca 0.16 -0.29 -0.05 0.00 0.05 0.00 0.00 55.36 55.23 2itf s GLN 104 Cb -0.16 -3.30 -0.01 0.00 1.10 0.00 0.00 33.01 30.64 2itf s GLN 104 CO 0.12 0.28 0.08 -0.08 -0.55 0.00 0.00 175.29 175.13 2itf s THR 105 N 0.38 0.13 -0.20 -0.34 -1.32 -0.68 -1.24 115.64 112.37 2itf s THR 105 Ca 0.05 -1.05 -0.02 0.00 -1.21 0.00 0.00 61.69 59.46 2itf s THR 105 Cb -0.12 -0.77 0.00 0.00 -1.51 0.00 0.00 72.50 70.10 2itf s THR 105 CO -0.01 -0.58 -0.11 -0.69 -2.21 0.00 0.00 174.62 171.02 2itf s VAL 106 N -2.34 2.85 -0.18 5.08 1.01 -1.26 -1.12 120.40 124.44 2itf s VAL 106 Ca -0.07 -0.68 -0.23 0.00 0.00 0.00 0.00 61.98 61.00 2itf s VAL 106 Cb -0.03 -2.26 -0.02 0.00 0.00 0.00 0.00 36.38 34.07 2itf s VAL 106 CO -0.03 0.48 0.75 -0.76 0.00 0.00 0.00 175.10 175.53 2itf s LEU 107 N 1.31 4.16 0.42 3.92 1.43 0.37 -1.12 118.68 129.17 2itf s LEU 107 Ca 0.04 1.04 -0.15 0.00 -1.03 0.00 0.00 54.13 54.03 2itf s LEU 107 Cb -0.14 -3.10 -0.08 0.00 0.03 0.00 0.00 46.19 42.90 2itf s LEU 107 CO -0.06 -0.35 0.85 0.20 0.23 0.00 0.00 176.35 177.22 2itf s ASN 108 N 1.17 6.66 -1.43 2.29 0.01 0.13 -1.62 114.94 122.15 2itf s ASN 108 Ca 0.34 1.36 -0.05 0.00 -0.71 0.00 0.00 52.86 53.81 2itf s ASN 108 Cb -0.16 -2.42 0.03 0.00 0.41 0.00 0.00 41.25 39.12 2itf s ASN 108 CO 0.12 -0.41 0.68 0.59 -1.51 0.00 0.00 177.10 176.57 2itf n ASN 109 N -1.09 -1.87 -0.17 -1.22 3.02 -0.80 -4.83 115.26 108.30 2itf n ASN 109 Ca 0.04 -0.89 0.22 0.00 -0.03 0.00 0.00 54.58 53.92 2itf n ASN 109 Cb 0.54 -3.56 0.61 0.00 -0.61 0.00 0.00 39.78 36.76 2itf n ASN 109 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2itf h ALA 110 N 0.88 2.46 0.00 5.41 0.00 -1.27 0.93 119.26 127.68 2itf h ALA 110 Ca -0.61 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.29 2itf h ALA 110 Cb 1.37 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.17 2itf h ALA 110 CO 0.63 -0.71 -0.00 0.66 0.00 0.00 0.00 179.25 179.83 2itf h SER 111 N 0.20 0.00 1.03 0.00 4.64 -1.88 -1.69 113.55 115.85 2itf h SER 111 Ca 0.41 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.69 2itf h SER 111 Cb 1.29 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.38 2itf h SER 111 CO -0.09 0.00 -0.18 -0.26 -0.87 0.00 0.00 176.83 175.44 2itf h PHE 112 N 0.00 0.00 -2.27 4.77 0.05 -1.03 -3.42 116.94 115.04 2itf h PHE 112 Ca -0.00 0.00 -0.68 0.00 3.82 0.00 0.00 57.97 61.11 2itf h PHE 112 Cb 0.27 0.00 -0.17 0.00 2.00 0.00 0.00 35.95 38.05 2itf h PHE 112 CO 0.00 0.18 0.91 -1.58 -0.18 0.00 0.00 178.31 177.64 2itf s TRP 113 N -3.60 3.06 0.14 -0.55 0.52 -0.64 -1.62 118.94 116.26 2itf s TRP 113 Ca 0.01 -1.34 -0.13 0.00 0.02 0.00 0.00 56.10 54.66 2itf s TRP 113 Cb 0.10 -4.33 0.01 0.00 -1.15 0.00 0.00 33.47 28.10 2itf s TRP 113 CO 0.62 -1.53 1.59 -0.22 0.02 0.00 0.00 176.95 177.43 2itf h LYS 114 N 8.91 0.85 -2.89 4.98 3.64 -1.31 -3.45 116.57 127.29 2itf h LYS 114 Ca 0.16 -0.28 -0.13 0.00 -1.27 0.00 0.00 60.65 59.14 2itf h LYS 114 Cb 1.02 -0.07 -0.23 0.00 -0.41 0.00 0.00 32.23 32.53 2itf h LYS 114 CO 1.14 0.90 -0.28 -2.00 -2.27 0.00 0.00 179.45 176.94 2itf s GLU 115 N -4.99 0.49 -0.07 1.90 2.12 -0.96 -4.97 118.70 112.22 2itf s GLU 115 Ca -0.12 0.32 -0.06 0.00 0.36 0.00 0.00 54.97 55.46 2itf s GLU 115 Cb 0.11 0.23 0.02 0.00 0.26 0.00 0.00 34.13 34.75 2itf s GLU 115 CO 0.82 -0.09 0.19 1.52 -0.54 0.00 0.00 175.26 177.16 2itf s TYR 116 N -0.21 -0.21 0.01 5.30 -0.85 -1.26 -0.51 117.35 119.62 2itf s TYR 116 Ca -0.04 0.51 0.01 0.00 -0.52 0.00 0.00 57.07 57.04 2itf s TYR 116 Cb -0.03 0.07 -0.01 0.00 0.38 0.00 0.00 41.96 42.37 2itf s TYR 116 CO 0.02 -0.10 -0.05 0.15 -1.52 0.00 0.00 175.55 174.04 2itf s LYS 117 N 0.15 0.36 0.04 -3.49 1.02 0.21 -4.98 119.74 113.04 2itf s LYS 117 Ca -0.00 -0.32 0.09 0.00 0.02 0.00 0.00 55.97 55.76 2itf s LYS 117 Cb -0.02 -0.27 -0.03 0.00 -0.52 0.00 0.00 37.83 37.00 2itf s LYS 117 CO -0.00 0.07 -0.25 -0.06 -0.92 0.00 0.00 175.35 174.19 2itf s PHE 118 N -0.49 2.19 0.03 3.18 0.40 -1.26 -0.36 117.98 121.66 2itf s PHE 118 Ca -0.03 -0.40 0.01 0.00 -0.60 0.00 0.00 56.93 55.91 2itf s PHE 118 Cb -0.04 -1.31 -0.02 0.00 0.51 0.00 0.00 43.02 42.15 2itf s PHE 118 CO -0.00 0.11 -0.06 0.71 0.70 0.00 0.00 175.22 176.68 2itf s TYR 119 N -0.79 0.48 0.91 0.36 1.51 0.22 -0.76 117.35 119.28 2itf s TYR 119 Ca 0.11 -0.50 -0.13 0.00 -1.01 0.00 0.00 57.07 55.54 2itf s TYR 119 Cb -0.10 -0.30 0.18 0.00 -0.11 0.00 0.00 41.96 41.63 2itf s TYR 119 CO 0.02 -0.13 1.25 0.54 -1.11 0.00 0.00 175.55 176.13 2itf s ASN 120 N -1.47 3.44 0.07 2.29 2.20 -0.38 -0.44 114.94 120.64 2itf s ASN 120 Ca -0.12 0.20 0.12 0.00 -0.94 0.00 0.00 52.86 52.12 2itf s ASN 120 Cb -0.10 -0.34 0.53 0.00 -2.00 0.00 0.00 41.25 39.35 2itf s ASN 120 CO -0.00 -2.52 1.37 0.00 -2.94 0.00 0.00 177.10 173.01 2itf n ALA 121 N -3.57 1.39 0.26 3.54 0.00 -1.26 -0.85 120.51 120.03 2itf n ALA 121 Ca 0.15 0.01 0.08 0.00 0.00 0.00 0.00 53.44 53.68 2itf n ALA 121 Cb 0.60 -1.19 0.24 0.00 0.00 0.00 0.00 19.45 19.10 2itf n ALA 121 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2itf n ASN 122 N -1.69 2.95 -1.69 0.00 4.13 -1.26 -4.92 115.26 112.78 2itf n ASN 122 Ca 0.02 -2.04 -0.17 0.00 1.68 0.00 0.00 54.58 54.06 2itf n ASN 122 Cb 0.11 -0.37 -0.04 0.00 -1.54 0.00 0.00 39.78 37.94 2itf n ASN 122 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 2itf n ASN 123 N 1.02 -5.09 -4.73 6.41 3.02 -0.03 -4.99 115.26 110.87 2itf n ASN 123 Ca 0.18 0.19 -0.38 0.00 -0.03 0.00 0.00 54.58 54.54 2itf n ASN 123 Cb 0.48 -4.15 -0.06 0.00 -0.61 0.00 0.00 39.78 35.43 2itf n ASN 123 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 2itf s GLN 124 N -4.23 4.30 0.33 3.52 -0.21 -1.25 -4.87 119.66 117.25 2itf s GLN 124 Ca 0.00 0.38 -0.29 0.00 0.02 0.00 0.00 55.36 55.48 2itf s GLN 124 Cb 0.00 -3.42 -0.10 0.00 1.00 0.00 0.00 33.01 30.49 2itf s GLN 124 CO 0.00 0.20 1.27 -2.00 -2.12 0.00 0.00 175.29 172.64 2itf s GLU 125 N 0.49 4.37 -0.12 2.91 2.12 -1.26 -1.25 118.70 125.96 2itf s GLU 125 Ca 0.24 2.13 -0.02 0.00 0.36 0.00 0.00 54.97 57.68 2itf s GLU 125 Cb -0.15 -3.06 -0.03 0.00 0.26 0.00 0.00 34.13 31.15 2itf s GLU 125 CO 0.09 -0.14 -0.03 -0.51 -0.54 0.00 0.00 175.26 174.14 2itf s LEU 126 N -1.80 3.37 0.21 2.70 1.43 0.06 -4.90 118.68 119.75 2itf s LEU 126 Ca 0.49 -0.01 -0.31 0.00 -1.03 0.00 0.00 54.13 53.27 2itf s LEU 126 Cb -0.38 -1.79 -0.11 0.00 0.03 0.00 0.00 46.19 43.95 2itf s LEU 126 CO 0.50 0.27 1.58 0.00 0.23 0.00 0.00 176.35 178.94 2itf s ALA 127 N -0.27 3.78 0.02 4.21 0.00 -1.26 -4.57 121.76 123.66 2itf s ALA 127 Ca 0.05 1.44 0.08 0.00 0.00 0.00 0.00 51.96 53.53 2itf s ALA 127 Cb -0.13 -3.63 -0.02 0.00 0.00 0.00 0.00 23.12 19.34 2itf s ALA 127 CO 0.02 -0.83 -0.25 0.95 0.00 0.00 0.00 175.76 175.65 2itf s THR 128 N 0.76 2.01 -0.01 0.00 -4.23 -1.26 -0.94 115.64 111.98 2itf s THR 128 Ca 0.68 -1.23 0.04 0.00 -1.18 0.00 0.00 61.69 59.99 2itf s THR 128 Cb -0.45 -1.70 -0.01 0.00 1.34 0.00 0.00 72.50 71.67 2itf s THR 128 CO 0.36 0.43 -0.12 -0.89 -0.54 0.00 0.00 174.62 173.86 2itf s THR 129 N -0.71 0.94 -0.21 3.99 2.01 -0.58 -4.96 115.64 116.11 2itf s THR 129 Ca 0.10 -0.53 -0.28 0.00 0.31 0.00 0.00 61.69 61.29 2itf s THR 129 Cb -0.10 -0.79 0.00 0.00 0.01 0.00 0.00 72.50 71.63 2itf s THR 129 CO 0.01 0.25 0.97 -0.69 -0.69 0.00 0.00 174.62 174.46 2itf s VAL 130 N -0.31 4.75 -0.11 3.82 1.01 -1.26 -0.24 120.40 128.05 2itf s VAL 130 Ca 0.04 1.89 -0.10 0.00 0.00 0.00 0.00 61.98 63.81 2itf s VAL 130 Cb -0.05 -4.25 -0.27 0.00 0.00 0.00 0.00 36.38 31.82 2itf s VAL 130 CO -0.00 -0.12 0.44 0.58 0.00 0.00 0.00 175.10 176.00 2itf h VAL 131 N 5.39 0.76 -2.13 2.92 2.07 -1.02 -3.48 116.25 120.76 2itf h VAL 131 Ca -0.22 -2.37 -0.03 0.00 0.82 0.00 0.00 66.70 64.90 2itf h VAL 131 Cb 1.08 2.56 -0.22 0.00 -1.52 0.00 0.00 31.29 33.19 2itf h VAL 131 CO 0.93 0.81 0.01 0.21 0.02 0.00 0.00 177.57 179.56 2itf s ASN 132 N -7.08 -0.78 -0.25 0.57 3.04 -1.05 -4.98 114.94 104.42 2itf s ASN 132 Ca -0.21 1.37 -0.10 0.00 0.04 0.00 0.00 52.86 53.95 2itf s ASN 132 Cb 0.06 1.31 -0.05 0.00 -1.54 0.00 0.00 41.25 41.04 2itf s ASN 132 CO 0.77 -0.23 0.15 -1.81 -3.04 0.00 0.00 177.10 172.94 2itf s ASP 133 N 0.95 5.97 -0.33 -4.21 1.01 -1.26 -0.36 116.67 118.43 2itf s ASP 133 Ca -0.05 0.05 0.00 0.00 0.71 0.00 0.00 52.55 53.27 2itf s ASP 133 Cb -0.05 -2.08 0.08 0.00 1.01 0.00 0.00 42.92 41.88 2itf s ASP 133 CO -0.09 0.04 0.05 0.21 0.21 0.00 0.00 175.17 175.59 2itf s ASN 134 N 1.21 4.88 0.31 0.27 3.84 -0.34 -4.99 114.94 120.13 2itf s ASN 134 Ca 0.07 -1.73 0.16 0.00 0.21 0.00 0.00 52.86 51.57 2itf s ASN 134 Cb -0.14 -1.70 0.21 0.00 -0.55 0.00 0.00 41.25 39.07 2itf s ASN 134 CO 0.06 -0.36 1.51 0.11 -2.79 0.00 0.00 177.10 175.63 2itf h LYS 135 N 7.87 0.00 0.00 0.43 1.79 -1.96 0.84 116.57 125.55 2itf h LYS 135 Ca -0.14 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.33 2itf h LYS 135 Cb 1.04 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.69 2itf h LYS 135 CO 0.56 0.45 0.00 1.57 -1.08 0.00 0.00 179.45 180.96 2itf h LYS 136 N 0.00 0.00 0.00 3.15 -0.00 -1.97 -2.82 116.57 114.93 2itf h LYS 136 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.65 2itf h LYS 136 Cb 1.27 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.50 2itf h LYS 136 CO 0.06 0.00 -0.57 0.00 -0.00 0.00 0.00 179.45 178.94 2itf n ALA 137 N -1.93 2.44 -3.64 0.07 0.00 -1.10 -5.02 120.51 111.33 2itf n ALA 137 Ca 0.00 -0.12 -0.23 0.00 0.00 0.00 0.00 53.44 53.09 2itf n ALA 137 Cb 0.19 -0.16 0.04 0.00 0.00 0.00 0.00 19.45 19.51 2itf n ALA 137 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2itf n ASP 138 N -1.31 -2.84 -4.43 0.00 2.03 0.17 -4.66 116.55 105.51 2itf n ASP 138 Ca 0.00 -0.86 -0.24 0.00 0.52 0.00 0.00 54.79 54.21 2itf n ASP 138 Cb 0.09 -4.01 -0.10 0.00 -0.72 0.00 0.00 41.12 36.37 2itf n ASP 138 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 2itf s THR 139 N -3.60 2.30 -0.06 5.18 -4.23 -0.50 -1.13 115.64 113.61 2itf s THR 139 Ca 0.18 -2.26 -0.00 0.00 -1.18 0.00 0.00 61.69 58.43 2itf s THR 139 Cb -0.05 -2.19 0.02 0.00 1.34 0.00 0.00 72.50 71.63 2itf s THR 139 CO 0.82 -0.35 -0.03 -0.60 -0.54 0.00 0.00 174.62 173.92 2itf s ARG 140 N -3.27 0.77 -0.18 3.99 3.52 -0.64 -1.19 118.95 121.95 2itf s ARG 140 Ca 0.26 -0.02 -0.14 0.00 -0.13 0.00 0.00 55.73 55.70 2itf s ARG 140 Cb -0.05 -0.94 -0.05 0.00 -1.56 0.00 0.00 34.95 32.35 2itf s ARG 140 CO 0.12 -0.19 0.29 0.99 -0.81 0.00 0.00 175.30 175.70 2itf s THR 141 N 1.43 5.30 0.09 4.11 2.01 0.52 -0.48 115.64 128.62 2itf s THR 141 Ca -0.03 0.52 0.06 0.00 0.31 0.00 0.00 61.69 62.55 2itf s THR 141 Cb -0.13 -3.63 -0.03 0.00 0.01 0.00 0.00 72.50 68.72 2itf s THR 141 CO -0.03 0.36 -0.17 0.27 -0.69 0.00 0.00 174.62 174.37 2itf s ILE 142 N 0.68 1.37 -0.14 1.82 -4.36 -0.27 -0.34 121.20 119.96 2itf s ILE 142 Ca 0.16 -1.46 -0.05 0.00 -0.26 0.00 0.00 60.65 59.03 2itf s ILE 142 Cb -0.13 -1.32 -0.04 0.00 1.25 0.00 0.00 42.46 42.22 2itf s ILE 142 CO 0.04 -0.19 0.04 0.20 0.24 0.00 0.00 174.94 175.27 2itf s ASN 143 N -1.92 5.47 -0.16 4.36 0.01 0.67 -1.69 114.94 121.69 2itf s ASN 143 Ca 0.03 0.11 0.01 0.00 -0.71 0.00 0.00 52.86 52.30 2itf s ASN 143 Cb -0.09 -1.81 0.00 0.00 0.41 0.00 0.00 41.25 39.76 2itf s ASN 143 CO 0.03 0.26 -0.17 -0.69 -1.51 0.00 0.00 177.10 175.01 2itf s VAL 144 N -0.13 2.42 0.09 1.60 1.01 0.86 -1.53 120.40 124.71 2itf s VAL 144 Ca 0.06 -0.85 -0.31 0.00 0.00 0.00 0.00 61.98 60.88 2itf s VAL 144 Cb -0.12 -2.01 -0.11 0.00 0.00 0.00 0.00 36.38 34.14 2itf s VAL 144 CO 0.02 0.52 1.86 0.00 0.00 0.00 0.00 175.10 177.50 2itf n ALA 145 N 4.19 1.90 -2.39 5.51 0.00 -0.11 -0.65 120.51 128.95 2itf n ALA 145 Ca -0.20 0.29 -0.22 0.00 0.00 0.00 0.00 53.44 53.32 2itf n ALA 145 Cb 0.51 -2.60 -0.08 0.00 0.00 0.00 0.00 19.45 17.28 2itf n ALA 145 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2itf s VAL 146 N 3.17 0.35 0.06 0.00 -7.23 -0.63 -4.69 120.40 111.43 2itf s VAL 146 Ca 0.84 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 59.03 2itf s VAL 146 Cb -0.50 -2.44 -0.03 0.00 0.56 0.00 0.00 36.38 33.97 2itf s VAL 146 CO 0.40 0.00 -0.06 -1.61 -0.31 0.00 0.00 175.10 173.51 2itf s GLU 147 N -3.68 0.59 0.26 4.82 2.02 -1.26 -4.09 118.70 117.36 2itf s GLU 147 Ca 0.32 -0.95 -0.30 0.00 0.02 0.00 0.00 54.97 54.06 2itf s GLU 147 Cb 0.03 -0.15 -0.14 0.00 0.10 0.00 0.00 34.13 33.97 2itf s GLU 147 CO 0.19 -0.00 1.27 -2.30 0.02 0.00 0.00 175.26 174.44 2itf n PRO 148 N 0.91 1.79 0.00 0.39 -0.02 -1.26 -2.30 135.00 134.50 2itf n PRO 148 Ca -0.19 0.63 0.00 0.00 -2.02 0.00 0.00 63.50 61.92 2itf n PRO 148 Cb 0.57 -2.20 0.00 0.00 -0.02 0.00 0.00 33.50 31.85 2itf n PRO 148 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2itf n GLY 149 N 1.70 3.01 3.73 -1.23 0.00 0.36 -4.94 105.19 107.83 2itf n GLY 149 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 2itf n GLY 149 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2itf s TYR 150 N -2.83 2.92 -0.01 1.61 1.51 -0.98 -4.59 117.35 114.99 2itf s TYR 150 Ca 0.00 0.60 0.08 0.00 -1.01 0.00 0.00 57.07 56.74 2itf s TYR 150 Cb 0.00 -4.04 -0.13 0.00 -0.11 0.00 0.00 41.96 37.69 2itf s TYR 150 CO 0.00 -3.74 0.18 1.63 -1.11 0.00 0.00 175.55 172.50 2itf n LYS 151 N 3.35 0.30 -3.71 -0.62 5.02 -1.26 -0.32 118.16 120.91 2itf n LYS 151 Ca 0.12 -0.07 -0.10 0.00 -2.02 0.00 0.00 58.31 56.24 2itf n LYS 151 Cb 0.37 -1.19 -0.05 0.00 -0.02 0.00 0.00 35.03 34.14 2itf n LYS 151 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 2itf s SER 152 N -2.96 -0.17 0.03 4.39 1.04 -1.26 -1.41 113.70 113.36 2itf s SER 152 Ca -0.03 -0.45 0.08 0.00 0.48 0.00 0.00 55.95 56.03 2itf s SER 152 Cb 0.05 0.47 -0.02 0.00 0.10 0.00 0.00 66.02 66.62 2itf s SER 152 CO 0.34 -0.88 -0.22 -0.76 0.98 0.00 0.00 173.24 172.70 2itf s LEU 153 N -2.84 2.14 0.02 2.42 1.43 0.21 -4.21 118.68 117.85 2itf s LEU 153 Ca 0.06 -0.51 -0.16 0.00 -1.03 0.00 0.00 54.13 52.49 2itf s LEU 153 Cb 0.02 -1.07 -0.06 0.00 0.03 0.00 0.00 46.19 45.10 2itf s LEU 153 CO -0.09 0.21 0.46 -0.89 0.23 0.00 0.00 176.35 176.27 2itf s THR 154 N -0.73 4.94 0.06 5.49 2.01 0.42 0.20 115.64 128.02 2itf s THR 154 Ca 0.09 0.96 0.08 0.00 0.31 0.00 0.00 61.69 63.12 2itf s THR 154 Cb -0.09 -3.77 -0.03 0.00 0.01 0.00 0.00 72.50 68.62 2itf s THR 154 CO 0.01 0.57 -0.22 0.42 -0.69 0.00 0.00 174.62 174.71 2itf s THR 155 N -1.08 1.81 -0.13 -0.82 -4.23 -0.01 -0.61 115.64 110.56 2itf s THR 155 Ca 0.25 -1.36 -0.00 0.00 -1.18 0.00 0.00 61.69 59.41 2itf s THR 155 Cb -0.18 -1.59 0.02 0.00 1.34 0.00 0.00 72.50 72.10 2itf s THR 155 CO 0.15 0.17 -0.10 -0.54 -0.54 0.00 0.00 174.62 173.76 2itf s LYS 156 N -1.42 1.80 0.13 3.99 1.02 0.51 -1.19 119.74 124.58 2itf s LYS 156 Ca 0.09 -0.38 0.08 0.00 0.02 0.00 0.00 55.97 55.77 2itf s LYS 156 Cb -0.09 -1.80 -0.04 0.00 -0.52 0.00 0.00 37.83 35.37 2itf s LYS 156 CO 0.03 -0.27 -0.19 0.14 -0.92 0.00 0.00 175.35 174.14 2itf s VAL 157 N 1.62 1.73 -0.21 3.17 -7.23 -0.50 -0.62 120.40 118.35 2itf s VAL 157 Ca 0.05 -1.70 0.01 0.00 -1.81 0.00 0.00 61.98 58.53 2itf s VAL 157 Cb -0.13 -1.66 0.05 0.00 0.56 0.00 0.00 36.38 35.20 2itf s VAL 157 CO -0.09 -0.18 -0.09 -2.28 -0.31 0.00 0.00 175.10 172.14 2itf s HIS 158 N -1.57 2.48 -0.20 2.82 2.46 0.33 -0.93 115.29 120.68 2itf s HIS 158 Ca 0.10 -1.69 -0.04 0.00 0.47 0.00 0.00 55.06 53.90 2itf s HIS 158 Cb -0.08 -1.65 -0.02 0.00 -0.13 0.00 0.00 32.58 30.70 2itf s HIS 158 CO 0.05 -0.76 -0.02 0.42 -2.47 0.00 0.00 174.74 171.96 2itf s ILE 159 N 1.37 3.75 -0.10 0.89 -1.09 0.69 -0.98 121.20 125.74 2itf s ILE 159 Ca -0.03 -0.38 -0.01 0.00 -2.23 0.00 0.00 60.65 58.01 2itf s ILE 159 Cb -0.17 -2.69 0.02 0.00 -1.58 0.00 0.00 42.46 38.04 2itf s ILE 159 CO -0.07 0.43 -0.06 -0.69 -1.23 0.00 0.00 174.94 173.32 2itf s VAL 160 N 1.06 0.84 -0.46 2.92 1.01 -0.64 -1.40 120.40 123.72 2itf s VAL 160 Ca 0.02 -0.18 0.03 0.00 0.00 0.00 0.00 61.98 61.84 2itf s VAL 160 Cb -0.14 -0.89 0.14 0.00 0.00 0.00 0.00 36.38 35.48 2itf s VAL 160 CO 0.01 0.33 0.26 -0.69 0.00 0.00 0.00 175.10 175.01 2itf s VAL 161 N 1.71 1.57 0.46 2.92 1.01 0.09 -4.50 120.40 123.66 2itf s VAL 161 Ca 0.04 -2.75 0.11 0.00 0.00 0.00 0.00 61.98 59.38 2itf s VAL 161 Cb -0.13 -2.10 0.27 0.00 0.00 0.00 0.00 36.38 34.43 2itf s VAL 161 CO -0.07 -0.91 2.10 -0.65 0.00 0.00 0.00 175.10 175.58 2itf h PRO 162 N 6.58 0.31 -0.21 2.72 0.11 -1.96 -2.00 132.00 137.55 2itf h PRO 162 Ca 0.00 -0.02 0.06 0.00 0.11 0.00 0.00 66.00 66.16 2itf h PRO 162 Cb 0.91 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.94 2itf h PRO 162 CO 0.51 0.20 0.23 1.96 -0.21 0.00 0.00 178.00 180.69 2itf h GLN 163 N 0.32 0.00 0.00 1.05 7.50 -1.95 -1.89 115.11 120.15 2itf h GLN 163 Ca 0.09 0.00 -0.00 0.00 0.50 0.00 0.00 58.65 59.24 2itf h GLN 163 Cb -0.04 0.00 -0.00 0.00 0.05 0.00 0.00 27.48 27.49 2itf h GLN 163 CO -0.02 0.00 -0.15 0.44 -1.50 0.00 0.00 178.83 177.60 2itf n ILE 164 N -3.82 1.36 -3.58 2.54 -5.35 -0.91 -5.01 119.36 104.58 2itf n ILE 164 Ca 0.02 -1.64 -0.22 0.00 -0.27 0.00 0.00 62.75 60.65 2itf n ILE 164 Cb 0.36 -0.03 0.07 0.00 -1.74 0.00 0.00 39.64 38.30 2itf n ILE 164 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 2itf n ASN 165 N -1.03 -4.31 -4.43 7.28 3.02 -0.71 -4.99 115.26 110.10 2itf n ASN 165 Ca 0.12 -0.62 -0.35 0.00 -0.03 0.00 0.00 54.58 53.70 2itf n ASN 165 Cb 0.66 -4.87 -0.13 0.00 -0.61 0.00 0.00 39.78 34.83 2itf n ASN 165 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 2itf s TYR 166 N -3.36 3.02 -0.27 3.10 5.04 -0.80 -5.02 117.35 119.07 2itf s TYR 166 Ca 0.35 -0.52 0.00 0.00 -2.44 0.00 0.00 57.07 54.46 2itf s TYR 166 Cb -0.16 -2.09 0.15 0.00 0.35 0.00 0.00 41.96 40.22 2itf s TYR 166 CO 0.75 -0.28 0.42 1.21 -1.34 0.00 0.00 175.55 176.30 2itf s ASN 167 N 1.07 0.10 0.03 4.32 3.84 -1.26 -0.73 114.94 122.32 2itf s ASN 167 Ca 0.02 -0.03 -0.06 0.00 0.21 0.00 0.00 52.86 53.01 2itf s ASN 167 Cb -0.14 1.23 -0.01 0.00 -0.55 0.00 0.00 41.25 41.78 2itf s ASN 167 CO 0.01 -0.32 0.10 -1.00 -2.79 0.00 0.00 177.10 173.10 2itf s HIS 168 N 2.58 0.16 -0.06 0.43 3.76 -0.49 -5.00 115.29 116.67 2itf s HIS 168 Ca 0.12 -0.40 0.05 0.00 -0.15 0.00 0.00 55.06 54.67 2itf s HIS 168 Cb -0.14 -0.12 -0.02 0.00 1.11 0.00 0.00 32.58 33.41 2itf s HIS 168 CO -0.24 -0.33 -0.19 1.03 -0.85 0.00 0.00 174.74 174.16 2itf s ARG 169 N -2.18 2.56 0.06 1.40 0.52 -1.26 -0.22 118.95 119.83 2itf s ARG 169 Ca -0.09 -0.79 -0.00 0.00 -0.52 0.00 0.00 55.73 54.33 2itf s ARG 169 Cb -0.04 -2.29 -0.04 0.00 0.52 0.00 0.00 34.95 33.10 2itf s ARG 169 CO -0.03 0.49 -0.04 0.71 0.02 0.00 0.00 175.30 176.46 2itf s TYR 170 N -0.41 0.57 -0.06 -0.53 2.02 -0.11 -4.99 117.35 113.83 2itf s TYR 170 Ca 0.04 -1.01 0.03 0.00 -0.37 0.00 0.00 57.07 55.76 2itf s TYR 170 Cb -0.12 -0.40 -0.02 0.00 -0.40 0.00 0.00 41.96 41.02 2itf s TYR 170 CO 0.02 -0.33 -0.15 0.99 -1.57 0.00 0.00 175.55 174.51 2itf s THR 171 N -3.72 3.00 0.21 -0.71 2.01 -1.26 -1.42 115.64 113.75 2itf s THR 171 Ca 0.06 -0.73 -0.01 0.00 0.31 0.00 0.00 61.69 61.32 2itf s THR 171 Cb 0.06 -2.18 -0.04 0.00 0.01 0.00 0.00 72.50 70.35 2itf s THR 171 CO -0.09 0.58 0.13 0.42 -0.69 0.00 0.00 174.62 174.97 2itf s THR 172 N -0.49 0.04 -0.10 -0.82 -4.23 -0.33 -3.92 115.64 105.79 2itf s THR 172 Ca 0.06 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 58.59 2itf s THR 172 Cb -0.12 -2.51 0.01 0.00 1.34 0.00 0.00 72.50 71.23 2itf s THR 172 CO 0.02 0.00 -0.16 -1.38 -0.54 0.00 0.00 174.62 172.56 2itf s HIS 173 N -4.11 1.99 -0.32 3.99 -3.43 -0.70 -0.83 115.29 111.87 2itf s HIS 173 Ca 0.39 -0.90 -0.16 0.00 -0.80 0.00 0.00 55.06 53.59 2itf s HIS 173 Cb 0.07 -1.42 -0.02 0.00 -1.43 0.00 0.00 32.58 29.79 2itf s HIS 173 CO 0.13 -0.45 0.42 -1.17 -2.00 0.00 0.00 174.74 171.67 2itf s LEU 174 N 0.87 4.30 -0.30 5.38 0.20 0.13 -0.20 118.68 129.06 2itf s LEU 174 Ca -0.09 -0.02 -0.10 0.00 0.69 0.00 0.00 54.13 54.61 2itf s LEU 174 Cb -0.15 -2.45 -0.02 0.00 -0.43 0.00 0.00 46.19 43.14 2itf s LEU 174 CO 0.00 -0.34 0.16 -1.61 -0.29 0.00 0.00 176.35 174.27 2itf s GLU 175 N 2.16 3.58 0.33 1.98 0.41 0.34 -0.62 118.70 126.88 2itf s GLU 175 Ca 0.15 -0.56 -0.27 0.00 -0.41 0.00 0.00 54.97 53.88 2itf s GLU 175 Cb -0.16 -3.58 -0.09 0.00 -1.78 0.00 0.00 34.13 28.52 2itf s GLU 175 CO 0.12 -0.32 1.10 -0.06 -0.49 0.00 0.00 175.26 175.61 2itf s PHE 176 N 1.67 3.40 0.38 1.61 0.08 -0.50 -1.30 117.98 123.32 2itf s PHE 176 Ca 0.06 1.65 0.07 0.00 0.12 0.00 0.00 56.93 58.83 2itf s PHE 176 Cb -0.16 -3.27 0.77 0.00 -0.57 0.00 0.00 43.02 39.79 2itf s PHE 176 CO 0.08 -0.73 1.96 1.49 -0.10 0.00 0.00 175.22 177.92 2itf h GLU 177 N 3.25 0.42 -4.27 0.44 4.81 -1.24 -3.43 114.58 114.55 2itf h GLU 177 Ca -0.48 -0.07 -0.14 0.00 -0.13 0.00 0.00 59.36 58.55 2itf h GLU 177 Cb 1.22 -0.07 -0.15 0.00 0.63 0.00 0.00 28.75 30.37 2itf h GLU 177 CO 0.65 0.41 -0.64 -1.59 -0.73 0.00 0.00 179.01 177.12 2itf s LYS 178 N -5.07 0.76 0.57 1.92 -2.85 -1.26 -5.08 119.74 108.73 2itf s LYS 178 Ca -0.07 -1.29 -0.19 0.00 -1.00 0.00 0.00 55.97 53.42 2itf s LYS 178 Cb 0.16 0.24 -0.07 0.00 -2.06 0.00 0.00 37.83 36.10 2itf s LYS 178 CO 0.74 -0.19 0.87 0.00 0.10 0.00 0.00 175.35 176.87 2itf n ALA 179 N 0.01 -0.14 -1.67 0.59 0.00 -1.26 -4.86 120.51 113.18 2itf n ALA 179 Ca -0.11 0.03 -0.47 0.00 0.00 0.00 0.00 53.44 52.90 2itf n ALA 179 Cb 0.62 -2.04 -0.04 0.00 0.00 0.00 0.00 19.45 17.99 2itf n ALA 179 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2itf n ILE 180 N -1.54 0.19 -2.60 0.00 2.08 0.56 -4.79 119.36 113.26 2itf n ILE 180 Ca 0.13 -0.03 -0.24 0.00 0.56 0.00 0.00 62.75 63.16 2itf n ILE 180 Cb 0.46 -1.62 0.03 0.00 -0.75 0.00 0.00 39.64 37.76 2itf n ILE 180 CO 0.00 0.00 0.00 -2.16 0.56 0.00 0.00 176.55 174.95 2itf s PRO 181 N 1.92 2.81 0.25 0.38 0.04 -1.26 -0.49 135.00 138.64 2itf s PRO 181 Ca 0.83 -0.33 -0.30 0.00 0.04 0.00 0.00 61.00 61.25 2itf s PRO 181 Cb -0.69 -2.39 -0.09 0.00 0.04 0.00 0.00 34.50 31.37 2itf s PRO 181 CO 0.43 -0.64 1.10 0.99 0.04 0.00 0.00 177.00 178.93 2itf s THR 182 N -2.84 3.60 0.23 1.26 2.01 -1.26 -4.60 115.64 114.03 2itf s THR 182 Ca 0.54 1.52 0.08 0.00 0.31 0.00 0.00 61.69 64.14 2itf s THR 182 Cb -0.10 -3.97 -0.05 0.00 0.01 0.00 0.00 72.50 68.39 2itf s THR 182 CO 0.42 0.33 -0.14 -0.76 -0.69 0.00 0.00 174.62 173.78 2itf s LEU 183 N -1.08 2.55 0.00 4.42 1.43 -1.26 -5.16 118.68 119.58 2itf s LEU 183 Ca 0.46 -1.05 0.00 0.00 -1.03 0.00 0.00 54.13 52.51 2itf s LEU 183 Cb -0.31 -0.71 0.00 0.00 0.03 0.00 0.00 46.19 45.20 2itf s LEU 183 CO 0.39 -0.18 0.00 0.00 0.23 0.00 0.00 176.35 176.79