#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n52 n LYS 7 N 0.00 -1.50 0.00 1.96 4.76 -1.26 -4.83 118.16 117.29 1n52 n LYS 7 Ca 0.00 -0.90 0.00 0.00 -2.87 0.00 0.00 58.31 54.54 1n52 n LYS 7 Cb 0.00 -0.74 0.00 0.00 -1.84 0.00 0.00 35.03 32.45 1n52 n LYS 7 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1n52 n ALA 8 N -3.72 0.63 0.30 7.82 0.00 -1.26 -1.78 120.51 122.50 1n52 n ALA 8 Ca -0.10 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.46 1n52 n ALA 8 Cb 0.28 -0.42 0.57 0.00 0.00 0.00 0.00 19.45 19.88 1n52 n ALA 8 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1n52 h LEU 9 N 0.00 0.00 -0.51 0.00 3.38 -2.10 -1.79 115.31 114.29 1n52 h LEU 9 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1n52 h LEU 9 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1n52 h LEU 9 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 178.44 179.07 1n52 n ARG 10 N -2.34 0.07 -1.60 1.13 1.74 -0.74 -4.82 116.66 110.11 1n52 n ARG 10 Ca 0.00 0.47 -0.60 0.00 -0.77 0.00 0.00 57.85 56.96 1n52 n ARG 10 Cb 0.16 -1.69 -0.08 0.00 -1.02 0.00 0.00 32.46 29.83 1n52 n ARG 10 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1n52 n SER 11 N -1.83 0.84 -3.13 0.55 2.88 -0.68 -4.89 113.62 107.36 1n52 n SER 11 Ca 0.01 1.15 -0.17 0.00 -1.33 0.00 0.00 58.87 58.53 1n52 n SER 11 Cb 0.08 -0.98 -0.02 0.00 -0.75 0.00 0.00 64.21 62.54 1n52 n SER 11 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1n52 n ASP 12 N 2.70 0.39 0.01 -3.46 -0.08 -1.26 -4.99 116.55 109.86 1n52 n ASP 12 Ca 0.23 -3.08 0.11 0.00 -1.51 0.00 0.00 54.79 50.54 1n52 n ASP 12 Cb 0.07 -0.30 0.54 0.00 2.34 0.00 0.00 41.12 43.77 1n52 n ASP 12 CO 0.00 0.00 0.00 0.77 0.12 0.00 0.00 177.20 178.09 1n52 h SER 13 N 3.06 0.27 0.85 1.67 4.64 -1.99 -2.12 113.55 119.94 1n52 h SER 13 Ca 0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 1n52 h SER 13 Cb 0.98 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.01 1n52 h SER 13 CO 0.45 0.17 0.00 1.88 -0.87 0.00 0.00 176.83 178.47 1n52 h TYR 14 N 0.30 0.00 0.00 4.77 -1.99 -1.94 -2.81 116.97 115.31 1n52 h TYR 14 Ca 0.19 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.92 1n52 h TYR 14 Cb 0.37 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.10 1n52 h TYR 14 CO -0.00 0.00 -1.01 0.28 -0.00 0.00 0.00 178.16 177.42 1n52 n VAL 15 N -2.87 0.06 -1.50 -2.88 0.31 -0.80 -4.59 118.33 106.05 1n52 n VAL 15 Ca 0.01 -0.13 -0.35 0.00 -0.01 0.00 0.00 64.34 63.86 1n52 n VAL 15 Cb 0.26 0.51 0.09 0.00 -0.91 0.00 0.00 33.84 33.79 1n52 n VAL 15 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 1n52 s GLU 16 N -3.11 2.22 0.52 5.55 2.02 -1.06 -4.94 118.70 119.89 1n52 s GLU 16 Ca 0.06 1.87 -0.22 0.00 0.02 0.00 0.00 54.97 56.69 1n52 s GLU 16 Cb 0.16 -1.83 -0.06 0.00 0.10 0.00 0.00 34.13 32.50 1n52 s GLU 16 CO 0.82 -1.80 1.29 -0.51 0.02 0.00 0.00 175.26 175.08 1n52 s LEU 17 N -4.94 3.90 0.00 1.80 1.02 -1.26 -4.95 118.68 114.24 1n52 s LEU 17 Ca 0.77 2.61 0.00 0.00 0.02 0.00 0.00 54.13 57.53 1n52 s LEU 17 Cb -0.32 -4.27 0.00 0.00 0.02 0.00 0.00 46.19 41.62 1n52 s LEU 17 CO 0.44 -1.36 0.00 -1.54 0.02 0.00 0.00 176.35 173.90 1n52 n SER 18 N -0.88 0.00 0.03 2.29 3.41 -1.26 -5.00 113.62 112.21 1n52 n SER 18 Ca 0.09 -0.99 0.12 0.00 -0.26 0.00 0.00 58.87 57.84 1n52 n SER 18 Cb 0.46 0.00 0.12 0.00 -0.26 0.00 0.00 64.21 64.53 1n52 n SER 18 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1n52 n GLN 19 N -0.99 0.18 -2.18 4.33 1.13 -1.26 -4.94 117.38 113.65 1n52 n GLN 19 Ca 0.00 0.02 -0.37 0.00 -1.94 0.00 0.00 57.00 54.71 1n52 n GLN 19 Cb 0.00 -1.58 0.00 0.00 0.11 0.00 0.00 30.24 28.77 1n52 n GLN 19 CO 0.00 0.00 0.00 -0.47 -1.44 0.00 0.00 177.06 175.15 1n52 s TYR 20 N -3.12 2.72 -0.13 1.08 5.04 -1.26 -5.04 117.35 116.64 1n52 s TYR 20 Ca 0.07 1.52 -0.07 0.00 -2.44 0.00 0.00 57.07 56.15 1n52 s TYR 20 Cb 0.15 -3.42 0.05 0.00 0.35 0.00 0.00 41.96 39.09 1n52 s TYR 20 CO 0.75 -1.74 0.31 1.03 -1.34 0.00 0.00 175.55 174.56 1n52 s ARG 21 N -2.90 0.28 -0.27 4.97 1.81 -1.26 -5.11 118.95 116.47 1n52 s ARG 21 Ca 0.68 0.63 -0.29 0.00 -1.72 0.00 0.00 55.73 55.03 1n52 s ARG 21 Cb -0.29 -0.08 -0.02 0.00 -0.45 0.00 0.00 34.95 34.11 1n52 s ARG 21 CO 0.34 -0.16 1.61 0.34 -0.68 0.00 0.00 175.30 176.75 1n52 s ASP 22 N 1.32 6.30 0.10 0.23 2.15 -1.26 -4.87 116.67 120.65 1n52 s ASP 22 Ca -0.09 1.45 0.19 0.00 0.43 0.00 0.00 52.55 54.53 1n52 s ASP 22 Cb -0.10 -2.53 0.79 0.00 -0.30 0.00 0.00 42.92 40.79 1n52 s ASP 22 CO -0.10 -1.35 1.59 0.00 -0.17 0.00 0.00 175.17 175.14 1n52 n GLN 23 N 7.82 0.08 -0.05 4.34 1.13 -1.26 -2.52 117.38 126.92 1n52 n GLN 23 Ca 0.19 0.30 0.10 0.00 -1.94 0.00 0.00 57.00 55.65 1n52 n GLN 23 Cb 0.46 -1.65 0.12 0.00 0.11 0.00 0.00 30.24 29.28 1n52 n GLN 23 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 1n52 n HIS 24 N -1.80 0.14 -1.21 1.08 8.25 -1.26 -4.96 115.22 115.46 1n52 n HIS 24 Ca 0.03 -0.08 -0.32 0.00 -0.26 0.00 0.00 57.72 57.09 1n52 n HIS 24 Cb 0.21 -0.00 0.11 0.00 1.12 0.00 0.00 29.99 31.43 1n52 n HIS 24 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 1n52 s PHE 25 N -1.61 2.09 -0.10 4.41 5.36 -1.05 -4.99 117.98 122.09 1n52 s PHE 25 Ca 0.27 1.65 -0.04 0.00 -0.96 0.00 0.00 56.93 57.85 1n52 s PHE 25 Cb 0.18 -3.31 -0.01 0.00 -0.34 0.00 0.00 43.02 39.54 1n52 s PHE 25 CO 0.26 -2.40 -0.07 0.00 -1.46 0.00 0.00 175.22 171.56 1n52 h ARG 26 N -0.91 0.00 0.00 10.12 2.47 -1.93 -3.49 114.38 120.64 1n52 h ARG 26 Ca -0.45 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.27 1n52 h ARG 26 Cb 1.27 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.59 1n52 h ARG 26 CO 0.48 0.00 0.00 0.41 0.56 0.00 0.00 179.97 181.42 1n52 n GLY 27 N 1.74 -3.17 1.47 0.04 0.00 -1.26 -5.02 105.19 98.98 1n52 n GLY 27 Ca -0.03 -1.05 -0.13 0.00 0.00 0.00 0.00 46.02 44.81 1n52 n GLY 27 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1n52 n ASP 28 N -2.55 -2.10 0.17 1.61 10.43 -1.26 -4.82 116.55 118.04 1n52 n ASP 28 Ca 0.00 -0.62 0.12 0.00 2.57 0.00 0.00 54.79 56.86 1n52 n ASP 28 Cb 0.00 -0.44 0.12 0.00 1.84 0.00 0.00 41.12 42.65 1n52 n ASP 28 CO 0.00 0.00 0.00 -1.13 -1.07 0.00 0.00 177.20 175.00 1n52 h ASN 29 N -2.16 0.00 -0.22 -2.24 -0.73 -1.99 -2.90 115.58 105.35 1n52 h ASN 29 Ca -0.18 -0.01 -0.19 0.00 1.87 0.00 0.00 56.30 57.79 1n52 h ASN 29 Cb 0.56 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.15 1n52 h ASN 29 CO 0.11 0.00 -0.60 -0.08 -0.37 0.00 0.00 177.43 176.49 1n52 h GLU 30 N 0.00 0.83 0.00 6.67 4.57 -1.98 -0.13 114.58 124.53 1n52 h GLU 30 Ca 0.00 -0.56 -0.16 0.00 -1.18 0.00 0.00 59.36 57.46 1n52 h GLU 30 Cb 0.98 0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 29.63 1n52 h GLU 30 CO 0.00 1.18 -0.77 0.93 -1.18 0.00 0.00 179.01 179.18 1n52 h GLU 31 N 0.62 0.00 -0.06 1.92 5.08 -1.87 -1.66 114.58 118.61 1n52 h GLU 31 Ca -0.00 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.15 1n52 h GLU 31 Cb 1.21 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.47 1n52 h GLU 31 CO 0.13 0.77 -0.78 0.37 -1.00 0.00 0.00 179.01 178.50 1n52 h GLN 32 N 0.00 0.63 -0.30 2.33 4.15 -1.42 -2.94 115.11 117.56 1n52 h GLN 32 Ca -0.01 -0.60 -0.07 0.00 0.77 0.00 0.00 58.65 58.74 1n52 h GLN 32 Cb 1.38 0.15 -0.02 0.00 0.21 0.00 0.00 27.48 29.20 1n52 h GLN 32 CO 0.10 1.21 -0.12 0.93 -1.93 0.00 0.00 178.83 179.02 1n52 h GLU 33 N 0.27 0.51 -0.46 1.69 5.08 -0.98 -0.89 114.58 119.80 1n52 h GLU 33 Ca -0.08 -0.15 -0.10 0.00 -1.00 0.00 0.00 59.36 58.03 1n52 h GLU 33 Cb 1.44 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.62 1n52 h GLU 33 CO 0.16 0.63 -0.11 0.87 -1.00 0.00 0.00 179.01 179.56 1n52 h LYS 34 N 0.47 0.83 -0.24 2.33 1.57 -1.31 -2.05 116.57 118.17 1n52 h LYS 34 Ca 0.09 -0.28 -0.07 0.00 -1.87 0.00 0.00 60.65 58.51 1n52 h LYS 34 Cb 0.50 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.74 1n52 h LYS 34 CO 0.03 0.90 -0.14 -0.07 -0.57 0.00 0.00 179.45 179.60 1n52 h LEU 35 N 0.75 0.54 -1.06 2.94 3.38 -1.28 -3.22 115.31 117.36 1n52 h LEU 35 Ca 0.12 -0.43 0.04 0.00 0.09 0.00 0.00 57.88 57.71 1n52 h LEU 35 Cb 0.61 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 41.15 1n52 h LEU 35 CO 0.04 0.85 0.63 -0.07 0.09 0.00 0.00 178.44 179.98 1n52 h LEU 36 N 0.23 1.05 0.00 1.67 3.38 -1.02 0.60 115.31 121.23 1n52 h LEU 36 Ca 0.05 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1n52 h LEU 36 Cb 0.66 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1n52 h LEU 36 CO 0.04 0.72 0.00 0.29 0.09 0.00 0.00 178.44 179.58 1n52 n LYS 37 N -4.44 0.98 0.00 1.13 5.02 -0.79 -3.05 118.16 117.01 1n52 n LYS 37 Ca 0.13 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.42 1n52 n LYS 37 Cb 0.10 -1.42 0.00 0.00 -0.02 0.00 0.00 35.03 33.69 1n52 n LYS 37 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1n52 n LYS 38 N -0.92 0.12 -1.31 1.97 4.81 -0.77 -5.09 118.16 116.98 1n52 n LYS 38 Ca 0.20 -0.47 -0.31 0.00 -0.87 0.00 0.00 58.31 56.86 1n52 n LYS 38 Cb 0.09 -0.74 0.09 0.00 0.02 0.00 0.00 35.03 34.49 1n52 n LYS 38 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1n52 s SER 39 N -0.15 4.54 0.00 3.14 0.15 0.13 -4.94 113.70 116.57 1n52 s SER 39 Ca 0.00 1.75 0.00 0.00 0.70 0.00 0.00 55.95 58.40 1n52 s SER 39 Cb 0.00 -2.47 0.00 0.00 -1.71 0.00 0.00 66.02 61.84 1n52 s SER 39 CO 0.00 -2.00 0.39 0.00 1.20 0.00 0.00 173.24 172.83 1n52 s THR 41 N -0.12 3.70 0.11 0.00 -1.32 -1.26 -0.87 115.64 115.87 1n52 s THR 41 Ca 0.00 -0.48 0.10 0.00 -1.21 0.00 0.00 61.69 60.10 1n52 s THR 41 Cb 0.00 -2.51 -0.04 0.00 -1.51 0.00 0.00 72.50 68.44 1n52 s THR 41 CO 0.00 0.60 -0.22 -0.76 -2.21 0.00 0.00 174.62 172.02 1n52 s LEU 42 N -0.78 2.50 -0.09 9.08 1.43 0.20 -2.14 118.68 128.87 1n52 s LEU 42 Ca 0.12 -0.63 -0.16 0.00 -1.03 0.00 0.00 54.13 52.43 1n52 s LEU 42 Cb -0.11 -1.39 -0.05 0.00 0.03 0.00 0.00 46.19 44.67 1n52 s LEU 42 CO 0.01 0.19 0.40 -0.47 0.23 0.00 0.00 176.35 176.72 1n52 s TYR 43 N -1.07 3.57 -0.19 0.29 5.04 0.18 -1.33 117.35 123.83 1n52 s TYR 43 Ca 0.16 0.84 0.01 0.00 -2.44 0.00 0.00 57.07 55.63 1n52 s TYR 43 Cb -0.10 -2.41 0.02 0.00 0.35 0.00 0.00 41.96 39.82 1n52 s TYR 43 CO 0.08 0.34 -0.17 0.08 -1.34 0.00 0.00 175.55 174.53 1n52 s VAL 44 N 0.04 2.24 0.30 3.14 1.01 0.41 -1.11 120.40 126.43 1n52 s VAL 44 Ca 0.23 -0.96 0.07 0.00 0.00 0.00 0.00 61.98 61.32 1n52 s VAL 44 Cb -0.15 -1.99 -0.03 0.00 0.00 0.00 0.00 36.38 34.21 1n52 s VAL 44 CO 0.09 0.46 0.24 -0.83 0.00 0.00 0.00 175.10 175.07 1n52 s GLY 45 N 1.29 1.63 -0.76 4.51 0.00 0.78 -1.74 107.32 113.03 1n52 s GLY 45 Ca 0.04 -1.56 0.00 0.00 0.00 0.00 0.00 44.72 43.19 1n52 s GLY 45 CO -0.11 -1.54 0.00 -2.01 0.00 0.00 0.00 173.10 169.44 1n52 n ASN 46 N -1.27 -4.04 -4.57 1.64 5.15 -1.15 -2.84 115.26 108.16 1n52 n ASN 46 Ca -0.04 0.18 -0.28 0.00 -0.60 0.00 0.00 54.58 53.83 1n52 n ASN 46 Cb 0.59 -2.18 0.22 0.00 -0.53 0.00 0.00 39.78 37.88 1n52 n ASN 46 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1n52 s LEU 47 N -1.64 1.14 0.45 1.20 1.43 -0.72 -4.84 118.68 115.71 1n52 s LEU 47 Ca 0.00 1.27 -0.02 0.00 -1.03 0.00 0.00 54.13 54.36 1n52 s LEU 47 Cb 0.00 -3.30 -0.02 0.00 0.03 0.00 0.00 46.19 42.90 1n52 s LEU 47 CO 0.00 -3.69 0.70 -0.55 0.23 0.00 0.00 176.35 173.04 1n52 s SER 48 N -3.07 6.01 0.47 2.29 0.15 -1.26 -4.59 113.70 113.70 1n52 s SER 48 Ca 0.67 0.52 0.32 0.00 0.70 0.00 0.00 55.95 58.16 1n52 s SER 48 Cb -0.21 -1.83 1.50 0.00 -1.71 0.00 0.00 66.02 63.76 1n52 s SER 48 CO 0.61 -0.62 1.96 -0.26 1.20 0.00 0.00 173.24 176.12 1n52 h PHE 49 N 0.37 0.00 -0.42 3.44 0.04 -0.61 -2.62 116.94 117.14 1n52 h PHE 49 Ca -0.47 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.30 1n52 h PHE 49 Cb 1.23 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.38 1n52 h PHE 49 CO 0.50 0.00 0.00 0.66 -0.60 0.00 0.00 178.31 178.87 1n52 n TYR 50 N -2.75 0.94 -2.63 -0.55 4.02 -1.26 -4.61 117.16 110.32 1n52 n TYR 50 Ca -0.00 -0.66 -0.42 0.00 -0.01 0.00 0.00 57.90 56.81 1n52 n TYR 50 Cb 0.19 -0.19 -0.03 0.00 -0.02 0.00 0.00 39.34 39.29 1n52 n TYR 50 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 1n52 s THR 51 N -1.85 4.65 0.47 -0.72 2.01 -0.99 -5.02 115.64 114.19 1n52 s THR 51 Ca 0.38 1.92 0.02 0.00 0.31 0.00 0.00 61.69 64.32 1n52 s THR 51 Cb 0.26 -4.23 0.01 0.00 0.01 0.00 0.00 72.50 68.55 1n52 s THR 51 CO 0.16 0.08 0.68 0.42 -0.69 0.00 0.00 174.62 175.27 1n52 s THR 52 N 1.53 3.43 0.35 -0.82 -4.23 -1.26 -4.92 115.64 109.72 1n52 s THR 52 Ca 0.52 -0.66 0.18 0.00 -1.18 0.00 0.00 61.69 60.55 1n52 s THR 52 Cb -0.22 -3.25 0.16 0.00 1.34 0.00 0.00 72.50 70.54 1n52 s THR 52 CO 0.24 -0.16 1.89 -0.08 -0.54 0.00 0.00 174.62 175.97 1n52 h GLU 53 N 0.36 0.00 -0.52 3.99 4.81 -1.99 -2.35 114.58 118.89 1n52 h GLU 53 Ca -0.44 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 58.68 1n52 h GLU 53 Cb 1.27 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.64 1n52 h GLU 53 CO 0.54 0.29 -0.12 0.93 -0.73 0.00 0.00 179.01 179.92 1n52 h GLU 54 N 0.00 0.99 -0.17 1.92 3.07 -1.99 -0.92 114.58 117.47 1n52 h GLU 54 Ca -0.00 -0.38 -0.09 0.00 -0.50 0.00 0.00 59.36 58.39 1n52 h GLU 54 Cb 0.58 -0.06 -0.00 0.00 -0.84 0.00 0.00 28.75 28.43 1n52 h GLU 54 CO 0.04 1.05 -0.25 1.96 -1.40 0.00 0.00 179.01 180.41 1n52 h GLN 55 N 0.86 0.47 -0.64 2.33 4.20 -1.87 -2.59 115.11 117.87 1n52 h GLN 55 Ca 0.13 -0.28 0.06 0.00 0.06 0.00 0.00 58.65 58.62 1n52 h GLN 55 Cb 0.68 0.02 -0.05 0.00 0.30 0.00 0.00 27.48 28.43 1n52 h GLN 55 CO 0.05 0.87 0.35 0.82 -0.67 0.00 0.00 178.83 180.25 1n52 h ILE 56 N 0.11 0.96 -0.75 2.54 2.04 -1.38 -1.95 117.51 119.08 1n52 h ILE 56 Ca 0.02 -0.22 0.02 0.00 1.00 0.00 0.00 64.86 65.68 1n52 h ILE 56 Cb 0.82 0.25 -0.04 0.00 -0.74 0.00 0.00 36.82 37.10 1n52 h ILE 56 CO 0.06 0.12 0.48 1.88 0.00 0.00 0.00 178.15 180.69 1n52 h TYR 57 N 0.65 0.91 -0.40 1.37 0.05 -1.07 -0.75 116.97 117.72 1n52 h TYR 57 Ca 0.29 0.02 -0.12 0.00 0.05 0.00 0.00 58.73 58.97 1n52 h TYR 57 Cb 0.19 -0.30 -0.01 0.00 1.01 0.00 0.00 36.73 37.61 1n52 h TYR 57 CO -0.09 0.54 -0.23 1.49 -1.05 0.00 0.00 178.16 178.82 1n52 h GLU 58 N 0.96 0.81 0.00 4.88 4.57 -0.98 -1.88 114.58 122.94 1n52 h GLU 58 Ca 0.29 -0.34 -0.01 0.00 -1.18 0.00 0.00 59.36 58.12 1n52 h GLU 58 Cb -0.04 -0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 28.52 1n52 h GLU 58 CO -0.09 0.97 -0.04 1.25 -1.18 0.00 0.00 179.01 179.91 1n52 h LEU 59 N 0.71 0.00 -0.60 1.64 5.85 -1.25 -3.35 115.31 118.31 1n52 h LEU 59 Ca 0.09 -0.98 0.00 0.00 0.84 0.00 0.00 57.88 57.83 1n52 h LEU 59 Cb 0.76 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.79 1n52 h LEU 59 CO 0.06 1.02 0.00 0.49 -0.34 0.00 0.00 178.44 179.67 1n52 n PHE 60 N -4.60 0.72 0.68 1.25 3.01 -0.30 -2.09 117.46 116.14 1n52 n PHE 60 Ca -0.11 0.28 0.12 0.00 1.01 0.00 0.00 57.45 58.76 1n52 n PHE 60 Cb 0.49 -0.95 0.47 0.00 -0.01 0.00 0.00 39.48 39.48 1n52 n PHE 60 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 1n52 n SER 61 N -2.16 0.44 0.14 4.37 7.64 -0.71 -3.14 113.62 120.21 1n52 n SER 61 Ca 0.02 0.56 0.12 0.00 1.01 0.00 0.00 58.87 60.58 1n52 n SER 61 Cb 0.23 -0.67 0.52 0.00 -1.01 0.00 0.00 64.21 63.28 1n52 n SER 61 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1n52 n LYS 62 N -1.93 0.19 -0.07 1.43 5.02 -0.89 -2.31 118.16 119.60 1n52 n LYS 62 Ca 0.05 0.47 0.06 0.00 -2.02 0.00 0.00 58.31 56.87 1n52 n LYS 62 Cb 0.33 -1.91 0.10 0.00 -0.02 0.00 0.00 35.03 33.53 1n52 n LYS 62 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1n52 n SER 63 N -2.27 2.39 0.00 4.39 3.41 -1.19 -5.08 113.62 115.28 1n52 n SER 63 Ca 0.01 -1.70 0.00 0.00 -0.26 0.00 0.00 58.87 56.93 1n52 n SER 63 Cb 0.19 -0.10 0.00 0.00 -0.26 0.00 0.00 64.21 64.05 1n52 n SER 63 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1n52 n GLY 64 N 0.65 2.97 3.72 5.00 0.00 -0.98 -4.50 105.19 112.05 1n52 n GLY 64 Ca 0.09 -1.59 -0.42 0.00 0.00 0.00 0.00 46.02 44.10 1n52 n GLY 64 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1n52 s ASP 65 N 0.00 7.02 0.05 1.61 1.11 -1.26 -4.28 116.67 120.92 1n52 s ASP 65 Ca 0.00 2.11 -0.20 0.00 0.18 0.00 0.00 52.55 54.64 1n52 s ASP 65 Cb 0.00 -2.58 -0.06 0.00 1.07 0.00 0.00 42.92 41.34 1n52 s ASP 65 CO 0.00 -0.50 0.57 -0.63 1.18 0.00 0.00 175.17 175.79 1n52 s ILE 66 N 0.96 4.80 -0.19 0.77 1.01 -1.26 -3.29 121.20 124.00 1n52 s ILE 66 Ca 0.59 1.21 -0.09 0.00 0.00 0.00 0.00 60.65 62.36 1n52 s ILE 66 Cb -0.31 -3.90 -0.21 0.00 0.01 0.00 0.00 42.46 38.05 1n52 s ILE 66 CO 0.30 0.51 0.10 1.17 0.00 0.00 0.00 174.94 177.03 1n52 n LYS 67 N 2.03 0.67 -3.57 2.79 4.81 0.19 -4.92 118.16 120.15 1n52 n LYS 67 Ca -0.09 0.31 -0.17 0.00 -0.87 0.00 0.00 58.31 57.49 1n52 n LYS 67 Cb 0.51 -1.65 -0.07 0.00 0.02 0.00 0.00 35.03 33.84 1n52 n LYS 67 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 1n52 s LYS 68 N -2.50 0.97 -0.08 1.64 2.20 -1.05 -5.02 119.74 115.90 1n52 s LYS 68 Ca -0.29 0.16 0.01 0.00 -0.36 0.00 0.00 55.97 55.49 1n52 s LYS 68 Cb 0.08 0.45 0.02 0.00 -1.51 0.00 0.00 37.83 36.87 1n52 s LYS 68 CO 0.65 -0.30 -0.10 0.42 -0.36 0.00 0.00 175.35 175.67 1n52 s ILE 69 N -1.22 1.04 -0.22 5.43 1.01 -1.26 -0.82 121.20 125.16 1n52 s ILE 69 Ca -0.12 -0.38 -0.00 0.00 0.00 0.00 0.00 60.65 60.16 1n52 s ILE 69 Cb -0.01 -0.99 0.03 0.00 0.01 0.00 0.00 42.46 41.49 1n52 s ILE 69 CO 0.09 0.35 -0.12 -0.63 0.00 0.00 0.00 174.94 174.63 1n52 s ILE 70 N 1.04 2.50 0.07 2.92 1.01 -0.24 -4.98 121.20 123.53 1n52 s ILE 70 Ca -0.08 -1.07 -0.30 0.00 0.00 0.00 0.00 60.65 59.21 1n52 s ILE 70 Cb -0.15 -2.22 -0.05 0.00 0.01 0.00 0.00 42.46 40.05 1n52 s ILE 70 CO -0.01 0.29 1.02 -0.04 0.00 0.00 0.00 174.94 176.20 1n52 s MET 71 N 1.28 4.60 0.19 2.79 -1.94 -1.26 -0.61 119.30 124.36 1n52 s MET 71 Ca 0.01 1.51 -0.30 0.00 -1.71 0.00 0.00 55.69 55.20 1n52 s MET 71 Cb -0.16 -3.39 -0.08 0.00 2.01 0.00 0.00 34.83 33.21 1n52 s MET 71 CO -0.07 0.05 1.18 0.20 -0.01 0.00 0.00 175.02 176.36 1n52 s GLY 72 N 0.47 2.73 0.24 -0.03 0.00 -0.32 -4.92 107.32 105.49 1n52 s GLY 72 Ca 0.50 0.94 0.09 0.00 0.00 0.00 0.00 44.72 46.25 1n52 s GLY 72 CO 0.30 1.81 -0.15 1.08 0.00 0.00 0.00 173.10 176.13 1n52 s LEU 73 N -0.37 2.56 -0.19 0.66 1.43 0.36 -0.11 118.68 123.02 1n52 s LEU 73 Ca 0.52 -1.04 -0.29 0.00 -1.03 0.00 0.00 54.13 52.28 1n52 s LEU 73 Cb -0.32 -0.80 -0.02 0.00 0.03 0.00 0.00 46.19 45.08 1n52 s LEU 73 CO 0.37 -0.12 1.41 -0.62 0.23 0.00 0.00 176.35 177.62 1n52 s ASP 74 N -3.39 6.72 0.33 2.29 -1.08 0.65 -0.03 116.67 122.15 1n52 s ASP 74 Ca 0.25 1.66 0.11 0.00 -0.52 0.00 0.00 52.55 54.06 1n52 s ASP 74 Cb -0.02 -2.54 0.95 0.00 -1.46 0.00 0.00 42.92 39.86 1n52 s ASP 74 CO 0.10 -0.96 1.71 0.50 0.52 0.00 0.00 175.17 177.03 1n52 h LYS 75 N 9.19 0.48 0.01 4.34 3.64 -1.54 1.10 116.57 133.80 1n52 h LYS 75 Ca -0.30 -0.03 -0.36 0.00 -1.27 0.00 0.00 60.65 58.69 1n52 h LYS 75 Cb 1.12 -0.11 -0.06 0.00 -0.41 0.00 0.00 32.23 32.77 1n52 h LYS 75 CO 0.99 0.32 -2.26 -1.33 -2.27 0.00 0.00 179.45 174.90 1n52 n MET 76 N -4.94 0.68 0.10 1.90 2.81 -1.26 -4.42 117.12 111.98 1n52 n MET 76 Ca 0.28 0.11 0.12 0.00 -1.81 0.00 0.00 57.70 56.40 1n52 n MET 76 Cb 0.82 -1.59 0.02 0.00 -0.71 0.00 0.00 33.22 31.77 1n52 n MET 76 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 1n52 h LYS 77 N 0.01 0.00 -4.32 0.03 1.57 -1.87 -3.48 116.57 108.50 1n52 h LYS 77 Ca -0.50 0.00 -0.41 0.00 -1.87 0.00 0.00 60.65 57.87 1n52 h LYS 77 Cb 2.11 0.00 0.05 0.00 0.08 0.00 0.00 32.23 34.47 1n52 h LYS 77 CO 0.02 0.00 -0.60 1.63 -0.57 0.00 0.00 179.45 179.92 1n52 n LYS 78 N -2.60 -4.59 -4.43 3.15 4.76 0.38 -4.91 118.16 109.92 1n52 n LYS 78 Ca 0.00 0.93 -0.26 0.00 -2.87 0.00 0.00 58.31 56.12 1n52 n LYS 78 Cb 0.53 -5.78 -0.11 0.00 -1.84 0.00 0.00 35.03 27.84 1n52 n LYS 78 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 1n52 s THR 79 N -3.17 2.51 -0.14 -0.18 -4.23 -1.26 -4.76 115.64 104.42 1n52 s THR 79 Ca 0.27 -2.15 -0.42 0.00 -1.18 0.00 0.00 61.69 58.22 1n52 s THR 79 Cb -0.12 -2.26 -0.19 0.00 1.34 0.00 0.00 72.50 71.27 1n52 s THR 79 CO 0.34 -0.24 1.28 0.00 -0.54 0.00 0.00 174.62 175.46 1n52 n ALA 80 N -0.14 -2.59 -0.01 3.99 0.00 -1.26 -0.26 120.51 120.25 1n52 n ALA 80 Ca -0.09 0.55 0.03 0.00 0.00 0.00 0.00 53.44 53.93 1n52 n ALA 80 Cb 0.58 -1.86 -0.13 0.00 0.00 0.00 0.00 19.45 18.04 1n52 n ALA 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1n52 n GLY 82 N 1.41 1.62 3.83 0.00 0.00 -1.26 -4.60 105.19 106.18 1n52 n GLY 82 Ca -0.12 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.82 1n52 n GLY 82 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1n52 s PHE 83 N -2.00 -0.06 0.12 1.61 -0.12 -1.26 -1.76 117.98 114.51 1n52 s PHE 83 Ca 0.00 -0.46 -0.25 0.00 -0.05 0.00 0.00 56.93 56.16 1n52 s PHE 83 Cb 0.00 0.72 0.08 0.00 -0.63 0.00 0.00 43.02 43.19 1n52 s PHE 83 CO 0.00 -1.33 1.07 0.00 -0.05 0.00 0.00 175.22 174.91 1n52 s PHE 85 N -2.69 2.21 -0.12 0.00 0.40 0.22 -0.45 117.98 117.55 1n52 s PHE 85 Ca 0.17 -0.81 0.01 0.00 -0.60 0.00 0.00 56.93 55.71 1n52 s PHE 85 Cb -0.00 -1.49 -0.01 0.00 0.51 0.00 0.00 43.02 42.03 1n52 s PHE 85 CO 0.02 -0.31 -0.18 0.08 0.70 0.00 0.00 175.22 175.53 1n52 s VAL 86 N 0.24 2.60 -0.14 -0.44 1.01 -0.44 -1.08 120.40 122.15 1n52 s VAL 86 Ca -0.13 -0.82 0.02 0.00 0.00 0.00 0.00 61.98 61.06 1n52 s VAL 86 Cb -0.16 -2.06 0.01 0.00 0.00 0.00 0.00 36.38 34.17 1n52 s VAL 86 CO 0.06 0.54 -0.22 -0.70 0.00 0.00 0.00 175.10 174.78 1n52 s GLU 87 N 0.45 3.03 0.50 2.72 2.12 0.00 0.60 118.70 128.11 1n52 s GLU 87 Ca -0.13 -0.85 0.02 0.00 0.36 0.00 0.00 54.97 54.38 1n52 s GLU 87 Cb -0.17 -2.45 0.02 0.00 0.26 0.00 0.00 34.13 31.80 1n52 s GLU 87 CO 0.06 -0.02 0.70 0.71 -0.54 0.00 0.00 175.26 176.17 1n52 s TYR 88 N 0.83 2.96 -0.09 5.30 2.02 -0.05 0.53 117.35 128.84 1n52 s TYR 88 Ca -0.07 -0.01 0.15 0.00 -0.37 0.00 0.00 57.07 56.77 1n52 s TYR 88 Cb -0.15 -2.55 -0.11 0.00 -0.40 0.00 0.00 41.96 38.75 1n52 s TYR 88 CO -0.02 -0.63 0.98 1.88 -1.57 0.00 0.00 175.55 176.19 1n52 h TYR 89 N 0.28 0.00 -3.99 2.71 0.05 -1.85 -3.43 116.97 110.73 1n52 h TYR 89 Ca -0.43 0.00 -0.37 0.00 0.05 0.00 0.00 58.73 57.98 1n52 h TYR 89 Cb 1.28 0.00 -0.26 0.00 1.01 0.00 0.00 36.73 38.76 1n52 h TYR 89 CO 0.40 0.67 -0.77 -1.54 -1.05 0.00 0.00 178.16 175.87 1n52 s SER 90 N -6.07 1.07 0.42 3.88 1.04 -1.26 -5.04 113.70 107.74 1n52 s SER 90 Ca -0.01 -0.30 0.11 0.00 0.48 0.00 0.00 55.95 56.23 1n52 s SER 90 Cb 0.08 -0.07 0.90 0.00 0.10 0.00 0.00 66.02 67.03 1n52 s SER 90 CO 0.80 0.02 1.98 -0.09 0.98 0.00 0.00 173.24 176.93 1n52 h ARG 91 N 5.40 0.20 -0.80 4.02 2.43 -1.90 -2.26 114.38 121.47 1n52 h ARG 91 Ca -0.33 -0.03 0.08 0.00 -0.81 0.00 0.00 59.98 58.88 1n52 h ARG 91 Cb 1.19 -0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 30.65 1n52 h ARG 91 CO 0.46 0.29 0.52 0.00 -1.51 0.00 0.00 179.97 179.73 1n52 h ALA 92 N 1.74 1.68 -0.02 2.80 0.00 -1.96 0.71 119.26 124.21 1n52 h ALA 92 Ca 0.04 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.78 1n52 h ALA 92 Cb 0.26 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1n52 h ALA 92 CO 0.01 0.18 -0.70 -0.44 0.00 0.00 0.00 179.25 178.31 1n52 h ASP 93 N 0.81 0.10 0.20 0.00 5.19 -1.64 -2.64 116.42 118.45 1n52 h ASP 93 Ca 0.35 -0.07 -0.20 0.00 -0.62 0.00 0.00 57.03 56.49 1n52 h ASP 93 Cb 0.32 -0.03 -0.00 0.00 0.18 0.00 0.00 39.33 39.80 1n52 h ASP 93 CO -0.13 0.77 -0.79 0.00 -3.12 0.00 0.00 179.24 175.97 1n52 h ALA 94 N 1.23 0.49 -0.58 3.45 0.00 -1.07 -2.61 119.26 120.17 1n52 h ALA 94 Ca -0.01 -0.63 -0.04 0.00 0.00 0.00 0.00 54.91 54.23 1n52 h ALA 94 Cb 1.24 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 1n52 h ALA 94 CO 0.10 0.76 0.21 0.93 0.00 0.00 0.00 179.25 181.25 1n52 h GLU 95 N 0.31 0.87 -0.14 0.00 5.08 -0.85 -1.02 114.58 118.84 1n52 h GLU 95 Ca -0.05 -0.17 -0.07 0.00 -1.00 0.00 0.00 59.36 58.07 1n52 h GLU 95 Cb 1.39 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.49 1n52 h GLU 95 CO 0.14 0.77 -0.23 -0.91 -1.00 0.00 0.00 179.01 177.78 1n52 h ASN 96 N 0.80 0.23 -0.47 1.42 2.35 -1.40 0.38 115.58 118.89 1n52 h ASN 96 Ca 0.19 -0.06 -0.12 0.00 -0.55 0.00 0.00 56.30 55.76 1n52 h ASN 96 Cb 0.23 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.53 1n52 h ASN 96 CO -0.01 0.47 -0.17 0.00 -1.65 0.00 0.00 177.43 176.07 1n52 h ALA 97 N 1.55 0.65 -0.70 -0.83 0.00 -1.05 0.92 119.26 119.80 1n52 h ALA 97 Ca 0.04 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.56 1n52 h ALA 97 Cb 0.53 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 1n52 h ALA 97 CO 0.04 0.59 0.36 1.98 0.00 0.00 0.00 179.25 182.22 1n52 h MET 98 N 0.78 1.00 -0.14 0.00 -1.53 -0.38 0.20 114.93 114.86 1n52 h MET 98 Ca 0.11 -0.13 -0.15 0.00 -3.44 0.00 0.00 59.70 56.09 1n52 h MET 98 Cb 0.73 -0.19 0.01 0.00 -0.55 0.00 0.00 31.60 31.60 1n52 h MET 98 CO 0.06 0.77 -0.48 0.00 0.14 0.00 0.00 176.91 177.39 1n52 h ARG 99 N 0.97 0.57 -0.00 0.39 3.08 0.02 -3.35 114.38 116.06 1n52 h ARG 99 Ca 0.24 -0.43 0.00 0.00 0.07 0.00 0.00 59.98 59.87 1n52 h ARG 99 Cb 0.08 0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.21 1n52 h ARG 99 CO -0.03 1.05 -0.04 0.66 -1.07 0.00 0.00 179.97 180.54 1n52 n TYR 100 N -4.22 0.00 -0.07 3.04 4.01 0.29 -4.76 117.16 115.45 1n52 n TYR 100 Ca -0.07 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.57 1n52 n TYR 100 Cb 0.59 0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 39.54 1n52 n TYR 100 CO 0.00 0.00 0.00 -0.89 -0.46 0.00 0.00 176.86 175.51 1n52 n ILE 101 N -0.50 0.87 -1.66 -0.72 5.41 0.60 -4.87 119.36 118.49 1n52 n ILE 101 Ca 0.01 -0.38 -0.45 0.00 1.00 0.00 0.00 62.75 62.92 1n52 n ILE 101 Cb 0.03 -0.96 -0.03 0.00 -0.71 0.00 0.00 39.64 37.97 1n52 n ILE 101 CO 0.00 0.00 0.00 -3.20 0.00 0.00 0.00 176.55 173.35 1n52 n ASN 102 N -2.83 2.69 0.00 4.38 5.15 -0.50 -1.83 115.26 122.32 1n52 n ASN 102 Ca -0.26 1.13 0.00 0.00 -0.60 0.00 0.00 54.58 54.86 1n52 n ASN 102 Cb 0.82 -1.41 0.00 0.00 -0.53 0.00 0.00 39.78 38.66 1n52 n ASN 102 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1n52 n GLY 103 N 2.37 0.79 2.45 8.20 0.00 0.62 -4.97 105.19 114.65 1n52 n GLY 103 Ca 0.13 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.98 1n52 n GLY 103 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1n52 n THR 104 N -2.27 0.00 -3.17 2.61 -2.24 -0.76 -4.75 114.28 103.70 1n52 n THR 104 Ca 0.00 -1.40 -0.39 0.00 -2.27 0.00 0.00 64.05 59.99 1n52 n THR 104 Cb 0.00 -0.20 -0.05 0.00 -2.10 0.00 0.00 70.33 67.98 1n52 n THR 104 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1n52 s ARG 105 N -3.45 4.37 -0.17 -0.78 1.81 -1.26 -1.40 118.95 118.05 1n52 s ARG 105 Ca 0.20 0.74 -0.02 0.00 -1.72 0.00 0.00 55.73 54.94 1n52 s ARG 105 Cb -0.02 -3.39 0.05 0.00 -0.45 0.00 0.00 34.95 31.14 1n52 s ARG 105 CO 0.13 0.23 -0.00 -1.17 -0.68 0.00 0.00 175.30 173.81 1n52 s LEU 106 N 0.27 1.36 -1.26 2.53 2.96 -0.49 -4.78 118.68 119.28 1n52 s LEU 106 Ca 0.32 -0.71 -0.02 0.00 -0.22 0.00 0.00 54.13 53.51 1n52 s LEU 106 Cb -0.18 -0.72 0.01 0.00 0.50 0.00 0.00 46.19 45.80 1n52 s LEU 106 CO 0.16 -0.25 0.97 -0.67 -1.32 0.00 0.00 176.35 175.25 1n52 n ASP 107 N 4.97 -2.67 0.00 3.68 2.03 -1.26 -2.42 116.55 120.89 1n52 n ASP 107 Ca -0.10 -0.65 0.00 0.00 0.52 0.00 0.00 54.79 54.56 1n52 n ASP 107 Cb 0.47 -4.87 0.00 0.00 -0.72 0.00 0.00 41.12 36.00 1n52 n ASP 107 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1n52 n ASP 108 N -3.09 -2.00 -4.13 1.67 8.00 -1.26 -4.93 116.55 110.80 1n52 n ASP 108 Ca -0.23 0.00 -0.20 0.00 0.71 0.00 0.00 54.79 55.07 1n52 n ASP 108 Cb 0.65 -1.69 -0.13 0.00 -0.02 0.00 0.00 41.12 39.92 1n52 n ASP 108 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1n52 s ARG 109 N -0.78 0.92 -0.11 -1.24 1.70 -1.01 -5.04 118.95 113.38 1n52 s ARG 109 Ca 0.00 -0.72 -0.29 0.00 -0.47 0.00 0.00 55.73 54.24 1n52 s ARG 109 Cb 0.00 -0.91 -0.04 0.00 -0.57 0.00 0.00 34.95 33.43 1n52 s ARG 109 CO 0.00 0.23 1.51 0.42 -1.08 0.00 0.00 175.30 176.38 1n52 s ILE 110 N -0.81 3.83 0.26 4.99 -1.09 -1.26 -1.39 121.20 125.72 1n52 s ILE 110 Ca 0.01 1.00 0.08 0.00 -2.23 0.00 0.00 60.65 59.52 1n52 s ILE 110 Cb -0.08 -3.67 -0.04 0.00 -1.58 0.00 0.00 42.46 37.10 1n52 s ILE 110 CO 0.01 -0.11 0.13 0.27 -1.23 0.00 0.00 174.94 174.01 1n52 s ILE 111 N 3.95 4.11 -0.05 2.92 -4.36 -0.50 -4.84 121.20 122.43 1n52 s ILE 111 Ca 0.67 -1.57 0.03 0.00 -0.26 0.00 0.00 60.65 59.51 1n52 s ILE 111 Cb -0.29 -3.21 0.01 0.00 1.25 0.00 0.00 42.46 40.22 1n52 s ILE 111 CO 0.24 -0.36 -0.12 0.00 0.24 0.00 0.00 174.94 174.95 1n52 s ARG 112 N -3.77 1.45 0.18 0.37 1.70 -1.13 -0.28 118.95 117.47 1n52 s ARG 112 Ca 0.32 -0.39 0.05 0.00 -0.47 0.00 0.00 55.73 55.25 1n52 s ARG 112 Cb -0.07 -1.25 -0.04 0.00 -0.57 0.00 0.00 34.95 33.02 1n52 s ARG 112 CO 0.23 0.07 0.15 0.95 -1.08 0.00 0.00 175.30 175.63 1n52 s THR 113 N 0.47 4.50 -0.02 4.99 -4.23 -1.26 -0.15 115.64 119.94 1n52 s THR 113 Ca -0.10 -1.14 -0.12 0.00 -1.18 0.00 0.00 61.69 59.16 1n52 s THR 113 Cb -0.13 -3.33 0.02 0.00 1.34 0.00 0.00 72.50 70.40 1n52 s THR 113 CO 0.02 -0.16 0.25 -0.62 -0.54 0.00 0.00 174.62 173.58 1n52 s ASP 114 N -3.26 -0.13 0.42 3.99 2.15 -0.27 -4.95 116.67 114.62 1n52 s ASP 114 Ca 0.31 0.05 -0.25 0.00 0.43 0.00 0.00 52.55 53.09 1n52 s ASP 114 Cb -0.10 0.31 -0.08 0.00 -0.30 0.00 0.00 42.92 42.75 1n52 s ASP 114 CO 0.24 -0.39 1.24 0.26 -0.17 0.00 0.00 175.17 176.35 1n52 s TRP 115 N -1.19 2.89 -0.04 -5.34 0.52 -1.26 0.49 118.94 115.01 1n52 s TRP 115 Ca -0.12 1.48 0.04 0.00 0.02 0.00 0.00 56.10 57.52 1n52 s TRP 115 Cb -0.06 -3.54 -0.01 0.00 -1.15 0.00 0.00 33.47 28.72 1n52 s TRP 115 CO 0.03 -1.77 -0.17 0.34 0.02 0.00 0.00 176.95 175.40 1n52 s ASP 116 N -0.98 2.08 0.32 2.95 -1.08 -0.91 -4.69 116.67 114.36 1n52 s ASP 116 Ca 0.59 -0.33 0.06 0.00 -0.52 0.00 0.00 52.55 52.35 1n52 s ASP 116 Cb -0.34 -0.50 0.74 0.00 -1.46 0.00 0.00 42.92 41.36 1n52 s ASP 116 CO 0.43 0.16 1.81 0.00 0.52 0.00 0.00 175.17 178.09 1n52 h ALA 117 N 6.14 1.71 0.00 3.66 0.00 -1.87 -3.42 119.26 125.49 1n52 h ALA 117 Ca -0.34 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1n52 h ALA 117 Cb 1.17 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1n52 h ALA 117 CO 0.48 -0.04 0.00 0.41 0.00 0.00 0.00 179.25 180.10 1n52 n GLY 118 N -1.36 4.38 3.77 0.00 0.00 -1.26 -4.69 105.19 106.03 1n52 n GLY 118 Ca 0.22 -0.65 -0.37 0.00 0.00 0.00 0.00 46.02 45.21 1n52 n GLY 118 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1n52 s PHE 119 N -1.25 2.75 -0.15 1.61 5.36 -1.26 -5.03 117.98 120.00 1n52 s PHE 119 Ca 0.00 1.50 -0.18 0.00 -0.96 0.00 0.00 56.93 57.29 1n52 s PHE 119 Cb 0.00 -3.48 0.05 0.00 -0.34 0.00 0.00 43.02 39.25 1n52 s PHE 119 CO 0.00 -1.82 0.49 0.15 -1.46 0.00 0.00 175.22 172.57 1n52 s LYS 120 N -2.73 0.63 0.01 10.12 1.02 -1.26 -5.09 119.74 122.43 1n52 s LYS 120 Ca 0.65 0.54 -0.38 0.00 0.02 0.00 0.00 55.97 56.81 1n52 s LYS 120 Cb -0.31 0.30 -0.17 0.00 -0.52 0.00 0.00 37.83 37.13 1n52 s LYS 120 CO 0.38 -0.10 1.38 -1.91 -0.92 0.00 0.00 175.35 174.18 1n52 n GLU 121 N 2.47 1.02 0.00 1.68 4.07 -1.26 -1.16 120.64 127.46 1n52 n GLU 121 Ca -0.15 0.37 0.00 0.00 -0.06 0.00 0.00 57.16 57.32 1n52 n GLU 121 Cb 0.57 -2.00 0.00 0.00 -0.06 0.00 0.00 31.44 29.94 1n52 n GLU 121 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1n52 n GLY 122 N 2.72 0.67 0.10 8.31 0.00 -1.26 -4.92 105.19 110.81 1n52 n GLY 122 Ca 0.20 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.35 1n52 n GLY 122 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1n52 n ARG 123 N -1.59 0.26 0.00 1.61 5.12 -0.31 -3.54 116.66 118.21 1n52 n ARG 123 Ca 0.00 0.20 0.15 0.00 -1.93 0.00 0.00 57.85 56.26 1n52 n ARG 123 Cb 0.00 -1.79 0.70 0.00 -1.16 0.00 0.00 32.46 30.22 1n52 n ARG 123 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 1n52 n GLN 124 N -2.24 0.49 -3.83 5.56 3.00 -1.26 -4.87 117.38 114.24 1n52 n GLN 124 Ca 0.05 -0.07 -0.37 0.00 -0.01 0.00 0.00 57.00 56.61 1n52 n GLN 124 Cb 0.43 -1.50 -0.06 0.00 0.00 0.00 0.00 30.24 29.11 1n52 n GLN 124 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.06 177.77 1n52 s TYR 125 N -2.55 3.59 0.46 1.08 1.51 -1.23 0.13 117.35 120.33 1n52 s TYR 125 Ca 0.28 0.54 -0.24 0.00 -1.01 0.00 0.00 57.07 56.64 1n52 s TYR 125 Cb 0.20 -2.00 -0.08 0.00 -0.11 0.00 0.00 41.96 39.97 1n52 s TYR 125 CO 0.47 0.67 1.31 0.41 -1.11 0.00 0.00 175.55 177.30 1n52 n GLY 126 N 2.18 0.65 1.03 0.71 0.00 0.95 -4.82 105.19 105.89 1n52 n GLY 126 Ca -0.19 0.14 0.12 0.00 0.00 0.00 0.00 46.02 46.09 1n52 n GLY 126 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1n52 n ARG 127 N -0.27 2.39 -1.65 1.61 1.74 -1.17 -4.33 116.66 114.99 1n52 n ARG 127 Ca 0.07 -2.06 -0.47 0.00 -0.77 0.00 0.00 57.85 54.63 1n52 n ARG 127 Cb 0.41 -1.48 -0.04 0.00 -1.02 0.00 0.00 32.46 30.33 1n52 n ARG 127 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1n52 n GLY 128 N 1.41 0.85 0.33 -0.13 0.00 0.28 -4.66 105.19 103.28 1n52 n GLY 128 Ca 0.16 0.60 0.26 0.00 0.00 0.00 0.00 46.02 47.04 1n52 n GLY 128 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1n52 h ARG 129 N 4.99 0.26 -0.01 1.61 2.47 -1.88 0.78 114.38 122.59 1n52 h ARG 129 Ca -0.45 -0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.25 1n52 h ARG 129 Cb 1.28 -0.06 0.00 0.00 -1.65 0.00 0.00 29.97 29.54 1n52 h ARG 129 CO 0.82 0.17 -0.03 0.43 0.56 0.00 0.00 179.97 181.92 1n52 n SER 130 N -5.08 1.44 0.00 7.04 7.64 -1.26 -4.94 113.62 118.46 1n52 n SER 130 Ca 0.33 -1.43 0.00 0.00 1.01 0.00 0.00 58.87 58.78 1n52 n SER 130 Cb 1.05 0.01 0.00 0.00 -1.01 0.00 0.00 64.21 64.26 1n52 n SER 130 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1n52 n GLY 131 N 1.19 2.69 0.00 0.23 0.00 0.27 -4.90 105.19 104.67 1n52 n GLY 131 Ca 0.18 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 45.23 1n52 n GLY 131 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n52 n GLY 132 N 0.00 -0.33 3.78 -0.02 0.00 -1.26 -1.77 105.19 105.59 1n52 n GLY 132 Ca 0.00 -1.61 -0.37 0.00 0.00 0.00 0.00 46.02 44.04 1n52 n GLY 132 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1n52 s GLN 133 N 0.09 4.50 0.28 1.61 -0.21 -1.26 0.10 119.66 124.77 1n52 s GLN 133 Ca 0.00 1.39 0.01 0.00 0.02 0.00 0.00 55.36 56.78 1n52 s GLN 133 Cb 0.00 -2.76 0.62 0.00 1.00 0.00 0.00 33.01 31.87 1n52 s GLN 133 CO 0.00 0.19 1.73 0.28 -2.12 0.00 0.00 175.29 175.37 1n52 h VAL 134 N 2.55 0.61 -1.04 1.09 2.07 -1.89 0.43 116.25 120.07 1n52 h VAL 134 Ca -0.47 -0.18 0.28 0.00 0.82 0.00 0.00 66.70 67.15 1n52 h VAL 134 Cb 1.20 0.05 -0.12 0.00 -1.52 0.00 0.00 31.29 30.89 1n52 h VAL 134 CO 0.64 0.10 0.63 -0.09 0.02 0.00 0.00 177.57 178.87 1n52 h ARG 135 N 0.52 0.43 0.00 1.57 2.43 -1.98 0.16 114.38 117.51 1n52 h ARG 135 Ca 0.51 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.65 1n52 h ARG 135 Cb 0.84 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.29 1n52 h ARG 135 CO -0.44 0.28 0.00 -0.25 -1.51 0.00 0.00 179.97 178.06 1n52 n ASP 136 N -4.84 0.00 -0.07 -3.80 8.00 0.14 -3.10 116.55 112.88 1n52 n ASP 136 Ca 0.28 0.20 -0.13 0.00 0.71 0.00 0.00 54.79 55.86 1n52 n ASP 136 Cb 0.88 -0.40 -0.01 0.00 -0.02 0.00 0.00 41.12 41.57 1n52 n ASP 136 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1n52 h GLU 137 N 0.00 0.81 -0.03 -1.24 4.39 -0.71 -0.29 114.58 117.52 1n52 h GLU 137 Ca 0.00 -0.49 0.00 0.00 0.34 0.00 0.00 59.36 59.21 1n52 h GLU 137 Cb 0.39 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.08 1n52 h GLU 137 CO 0.00 1.12 0.00 0.66 -1.16 0.00 0.00 179.01 179.63 1n52 n TYR 138 N -4.01 0.02 -1.64 4.33 4.02 -1.23 -2.19 117.16 116.46 1n52 n TYR 138 Ca -0.03 -0.02 -0.52 0.00 -0.01 0.00 0.00 57.90 57.32 1n52 n TYR 138 Cb 0.60 -0.00 -0.06 0.00 -0.02 0.00 0.00 39.34 39.86 1n52 n TYR 138 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 1n52 n ARG 139 N 0.67 1.47 -0.45 -0.72 1.74 -1.18 -4.87 116.66 113.32 1n52 n ARG 139 Ca 0.07 0.53 0.08 0.00 -0.77 0.00 0.00 57.85 57.76 1n52 n ARG 139 Cb 0.31 -2.23 0.27 0.00 -1.02 0.00 0.00 32.46 29.79 1n52 n ARG 139 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1n52 n GLN 140 N 3.79 3.29 -4.25 5.56 6.02 -1.26 -2.28 117.38 128.25 1n52 n GLN 140 Ca 0.20 -2.66 -0.24 0.00 -0.01 0.00 0.00 57.00 54.29 1n52 n GLN 140 Cb 0.21 -1.73 -0.07 0.00 1.02 0.00 0.00 30.24 29.67 1n52 n GLN 140 CO 0.00 0.00 0.00 0.16 -1.01 0.00 0.00 177.06 176.21 1n52 s ASP 141 N -1.29 4.68 -0.11 1.08 1.47 -1.26 -4.95 116.67 116.29 1n52 s ASP 141 Ca 0.40 -0.54 -0.17 0.00 1.18 0.00 0.00 52.55 53.42 1n52 s ASP 141 Cb 0.28 -0.94 -0.04 0.00 -0.34 0.00 0.00 42.92 41.88 1n52 s ASP 141 CO 0.16 0.02 0.45 -0.47 0.68 0.00 0.00 175.17 176.01 1n52 s TYR 142 N -2.12 3.53 -0.24 2.11 5.04 -1.26 -4.18 117.35 120.22 1n52 s TYR 142 Ca 0.30 0.87 -0.04 0.00 -2.44 0.00 0.00 57.07 55.76 1n52 s TYR 142 Cb -0.07 -2.50 0.09 0.00 0.35 0.00 0.00 41.96 39.82 1n52 s TYR 142 CO 0.20 0.22 0.14 0.34 -1.34 0.00 0.00 175.55 175.11 1n52 s ASP 143 N 0.44 2.75 0.00 4.32 -1.08 -0.10 -4.98 116.67 118.02 1n52 s ASP 143 Ca 0.25 -0.91 0.16 0.00 -0.52 0.00 0.00 52.55 51.52 1n52 s ASP 143 Cb -0.15 -0.15 0.84 0.00 -1.46 0.00 0.00 42.92 42.00 1n52 s ASP 143 CO 0.10 -0.40 1.45 0.00 0.52 0.00 0.00 175.17 176.84 1n52 n ALA 144 N 5.27 1.93 0.71 3.66 0.00 -1.26 -0.39 120.51 130.43 1n52 n ALA 144 Ca -0.06 -0.08 0.11 0.00 0.00 0.00 0.00 53.44 53.41 1n52 n ALA 144 Cb 0.45 -1.26 -0.09 0.00 0.00 0.00 0.00 19.45 18.55 1n52 n ALA 144 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n52 n GLY 145 N 0.07 -1.04 0.74 0.00 0.00 -1.26 -4.27 105.19 99.42 1n52 n GLY 145 Ca 0.09 -0.54 0.06 0.00 0.00 0.00 0.00 46.02 45.62 1n52 n GLY 145 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1n52 n ARG 146 N -1.74 1.31 -2.31 1.61 1.74 -0.70 0.14 116.66 116.71 1n52 n ARG 146 Ca 0.02 -3.07 -0.01 0.00 -0.77 0.00 0.00 57.85 54.02 1n52 n ARG 146 Cb 0.40 -1.35 0.00 0.00 -1.02 0.00 0.00 32.46 30.50 1n52 n ARG 146 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1n52 n GLY 147 N -0.85 0.61 7.00 -0.13 0.00 -1.09 -4.86 105.19 105.86 1n52 n GLY 147 Ca 0.17 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.46 1n52 n GLY 147 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n52 n GLY 148 N -0.79 0.96 3.91 -0.02 0.00 0.48 -4.89 105.19 104.85 1n52 n GLY 148 Ca -0.01 -0.61 -0.28 0.00 0.00 0.00 0.00 46.02 45.13 1n52 n GLY 148 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1n52 s TYR 149 N 0.00 3.13 1.03 1.61 1.51 -1.26 -0.92 117.35 122.45 1n52 s TYR 149 Ca 0.00 0.70 -0.13 0.00 -1.01 0.00 0.00 57.07 56.63 1n52 s TYR 149 Cb 0.00 -3.05 0.13 0.00 -0.11 0.00 0.00 41.96 38.92 1n52 s TYR 149 CO 0.00 -1.21 0.61 0.41 -1.11 0.00 0.00 175.55 174.25 1n52 n GLY 150 N -2.89 -1.74 0.34 0.71 0.00 -0.96 -4.87 105.19 95.78 1n52 n GLY 150 Ca 0.07 -0.83 -0.00 0.00 0.00 0.00 0.00 46.02 45.25 1n52 n GLY 150 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1n52 h LYS 151 N -1.98 0.94 -2.02 1.61 1.63 -0.98 -2.37 116.57 113.40 1n52 h LYS 151 Ca -0.49 -0.09 -0.11 0.00 -0.85 0.00 0.00 60.65 59.11 1n52 h LYS 151 Cb 1.31 -0.20 -0.04 0.00 -0.60 0.00 0.00 32.23 32.70 1n52 h LYS 151 CO 0.40 0.67 -0.21 1.28 -3.45 0.00 0.00 179.45 178.14 1n52 n LEU 152 N -4.39 5.08 0.00 5.20 4.77 -0.93 -5.07 117.00 121.66 1n52 n LEU 152 Ca 0.07 -2.76 0.00 0.00 -0.03 0.00 0.00 56.01 53.29 1n52 n LEU 152 Cb 0.08 -1.25 0.00 0.00 -2.33 0.00 0.00 43.42 39.92 1n52 n LEU 152 CO 0.37 1.34 0.00 0.00 -1.33 0.00 0.00 177.39 177.78