#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ci5 h SER 2 N 0.00 -0.29 -3.72 4.04 0.87 -1.82 -3.47 113.55 109.16 1ci5 h SER 2 Ca 0.00 -0.23 -0.18 0.00 -1.23 0.00 0.00 61.79 60.15 1ci5 h SER 2 Cb 0.00 0.07 -0.27 0.00 -0.44 0.00 0.00 62.40 61.77 1ci5 h SER 2 CO 0.00 0.20 -0.47 -1.58 -0.53 0.00 0.00 176.83 174.45 1ci5 s GLN 3 N -3.68 0.24 -0.21 2.24 0.74 -1.16 -5.05 119.66 112.78 1ci5 s GLN 3 Ca -0.12 0.35 -0.09 0.00 0.05 0.00 0.00 55.36 55.55 1ci5 s GLN 3 Cb 0.01 0.07 -0.04 0.00 1.10 0.00 0.00 33.01 34.15 1ci5 s GLN 3 CO 0.44 -0.06 0.10 1.14 -0.55 0.00 0.00 175.29 176.36 1ci5 s GLN 4 N 0.35 3.97 0.03 1.67 -2.07 -1.26 0.08 119.66 122.44 1ci5 s GLN 4 Ca -0.02 -0.33 -0.07 0.00 -1.82 0.00 0.00 55.36 53.12 1ci5 s GLN 4 Cb -0.03 -3.36 -0.05 0.00 -1.09 0.00 0.00 33.01 28.48 1ci5 s GLN 4 CO -0.01 0.13 0.30 0.42 -1.32 0.00 0.00 175.29 174.80 1ci5 s ILE 5 N 0.81 5.26 -0.38 3.63 -1.09 0.32 -4.92 121.20 124.82 1ci5 s ILE 5 Ca 0.05 0.18 -0.10 0.00 -2.23 0.00 0.00 60.65 58.56 1ci5 s ILE 5 Cb -0.13 -3.59 0.04 0.00 -1.58 0.00 0.00 42.46 37.21 1ci5 s ILE 5 CO 0.02 0.32 0.21 -0.31 -1.23 0.00 0.00 174.94 173.95 1ci5 s TYR 6 N -1.35 3.27 0.46 3.97 2.02 -1.26 -1.40 117.35 123.06 1ci5 s TYR 6 Ca 0.30 -1.18 0.06 0.00 -0.37 0.00 0.00 57.07 55.87 1ci5 s TYR 6 Cb -0.13 -2.57 -0.03 0.00 -0.40 0.00 0.00 41.96 38.83 1ci5 s TYR 6 CO 0.18 -0.72 0.17 0.20 -1.57 0.00 0.00 175.55 173.81 1ci5 s GLY 7 N 1.70 2.49 -0.10 0.71 0.00 0.22 -4.91 107.32 107.44 1ci5 s GLY 7 Ca 0.02 -1.64 -0.09 0.00 0.00 0.00 0.00 44.72 43.01 1ci5 s GLY 7 CO 0.05 -1.99 0.27 -1.34 0.00 0.00 0.00 173.10 170.09 1ci5 s VAL 8 N -2.70 0.00 0.19 1.40 -7.23 -1.26 -0.44 120.40 110.36 1ci5 s VAL 8 Ca 0.32 -0.01 -0.31 0.00 -1.81 0.00 0.00 61.98 60.17 1ci5 s VAL 8 Cb 0.03 -0.38 -0.16 0.00 0.56 0.00 0.00 36.38 36.43 1ci5 s VAL 8 CO 0.18 -0.01 0.98 0.29 -0.31 0.00 0.00 175.10 176.24 1ci5 n LYS 9 N 2.91 0.84 -1.89 4.82 4.01 0.06 0.29 118.16 129.19 1ci5 n LYS 9 Ca -0.13 0.30 -0.20 0.00 -0.51 0.00 0.00 58.31 57.77 1ci5 n LYS 9 Cb 0.58 -1.66 -0.06 0.00 -0.51 0.00 0.00 35.03 33.39 1ci5 n LYS 9 CO 0.00 0.00 0.00 0.66 -1.11 0.00 0.00 177.40 176.95 1ci5 n TYR 10 N 0.89 -0.36 -4.39 2.13 4.02 -0.94 -4.81 117.16 113.70 1ci5 n TYR 10 Ca 0.15 0.00 -0.17 0.00 -0.01 0.00 0.00 57.90 57.87 1ci5 n TYR 10 Cb 0.25 -3.58 -0.03 0.00 -0.02 0.00 0.00 39.34 35.95 1ci5 n TYR 10 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1ci5 n GLY 11 N -0.69 3.87 3.45 2.72 0.00 0.14 -4.75 105.19 109.94 1ci5 n GLY 11 Ca -0.22 -2.29 -0.26 0.00 0.00 0.00 0.00 46.02 43.25 1ci5 n GLY 11 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ci5 s ASN 12 N -2.43 3.52 -0.11 1.61 0.01 -1.26 -1.79 114.94 114.49 1ci5 s ASN 12 Ca 0.00 -0.93 -0.28 0.00 -0.71 0.00 0.00 52.86 50.94 1ci5 s ASN 12 Cb -0.00 -0.29 0.07 0.00 0.41 0.00 0.00 41.25 41.44 1ci5 s ASN 12 CO 0.00 0.09 0.66 0.68 -1.51 0.00 0.00 177.10 177.02 1ci5 s VAL 13 N -2.02 0.00 0.15 1.60 -7.23 -1.02 -4.72 120.40 107.16 1ci5 s VAL 13 Ca 0.25 -0.03 0.11 0.00 -1.81 0.00 0.00 61.98 60.50 1ci5 s VAL 13 Cb -0.07 -0.97 -0.04 0.00 0.56 0.00 0.00 36.38 35.87 1ci5 s VAL 13 CO 0.12 -0.01 -0.26 -0.89 -0.31 0.00 0.00 175.10 173.75 1ci5 s THR 14 N -0.74 2.30 -0.53 5.32 2.01 -1.26 -0.60 115.64 122.14 1ci5 s THR 14 Ca -0.08 -1.84 0.04 0.00 0.31 0.00 0.00 61.69 60.12 1ci5 s THR 14 Cb -0.02 -2.05 0.13 0.00 0.01 0.00 0.00 72.50 70.58 1ci5 s THR 14 CO 0.07 0.03 0.27 -0.36 -0.69 0.00 0.00 174.62 173.94 1ci5 s PHE 15 N -1.24 3.20 0.64 4.92 0.40 0.49 -4.96 117.98 121.42 1ci5 s PHE 15 Ca 0.16 -3.16 -0.18 0.00 -0.60 0.00 0.00 56.93 53.15 1ci5 s PHE 15 Cb -0.09 -2.83 -0.02 0.00 0.51 0.00 0.00 43.02 40.59 1ci5 s PHE 15 CO 0.07 -0.74 1.25 -1.01 0.70 0.00 0.00 175.22 175.50 1ci5 s HIS 16 N -0.32 2.19 -0.06 0.36 3.76 -1.26 -2.35 115.29 117.61 1ci5 s HIS 16 Ca 0.17 1.51 0.00 0.00 -0.15 0.00 0.00 55.06 56.59 1ci5 s HIS 16 Cb -0.25 -3.59 0.02 0.00 1.11 0.00 0.00 32.58 29.87 1ci5 s HIS 16 CO -0.01 -2.63 -0.03 0.08 -0.85 0.00 0.00 174.74 171.31 1ci5 s VAL 17 N -1.53 0.51 -1.20 -0.90 1.01 -1.26 -4.93 120.40 112.09 1ci5 s VAL 17 Ca 0.80 -0.04 -0.21 0.00 0.00 0.00 0.00 61.98 62.53 1ci5 s VAL 17 Cb -0.34 -0.58 -0.04 0.00 0.00 0.00 0.00 36.38 35.42 1ci5 s VAL 17 CO 0.38 0.25 1.88 -0.81 0.00 0.00 0.00 175.10 176.79 1ci5 n PRO 18 N 4.50 2.15 -0.01 2.72 -0.04 -1.26 -4.39 135.00 138.67 1ci5 n PRO 18 Ca -0.18 -2.69 -0.01 0.00 -0.04 0.00 0.00 63.50 60.58 1ci5 n PRO 18 Cb 0.50 -3.58 -0.01 0.00 -0.04 0.00 0.00 33.50 30.38 1ci5 n PRO 18 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1ci5 n SER 19 N 11.65 3.93 0.00 3.54 2.88 -1.26 -5.00 113.62 129.35 1ci5 n SER 19 Ca 0.47 -0.01 0.00 0.00 -1.33 0.00 0.00 58.87 58.00 1ci5 n SER 19 Cb 0.46 0.03 0.00 0.00 -0.75 0.00 0.00 64.21 63.94 1ci5 n SER 19 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1ci5 n ASN 20 N -2.51 0.00 -4.77 -3.46 5.15 -1.26 -4.85 115.26 103.57 1ci5 n ASN 20 Ca -0.03 0.00 -0.39 0.00 -0.60 0.00 0.00 54.58 53.56 1ci5 n ASN 20 Cb 0.54 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.79 1ci5 n ASN 20 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 1ci5 s GLN 21 N 0.00 3.81 -0.12 1.20 -0.21 -1.26 -4.68 119.66 118.40 1ci5 s GLN 21 Ca 0.00 2.15 -0.36 0.00 0.02 0.00 0.00 55.36 57.17 1ci5 s GLN 21 Cb 0.00 -2.64 -0.13 0.00 1.00 0.00 0.00 33.01 31.23 1ci5 s GLN 21 CO 0.00 -0.62 1.80 -2.30 -2.12 0.00 0.00 175.29 172.05 1ci5 n PRO 22 N -0.12 1.84 -2.89 2.91 -0.02 -1.24 -4.56 135.00 130.93 1ci5 n PRO 22 Ca 0.05 0.67 -0.42 0.00 -2.02 0.00 0.00 63.50 61.78 1ci5 n PRO 22 Cb 0.44 -2.46 -0.05 0.00 -0.02 0.00 0.00 33.50 31.41 1ci5 n PRO 22 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1ci5 s LEU 23 N 3.56 4.08 -0.13 2.45 1.43 0.78 -4.90 118.68 125.95 1ci5 s LEU 23 Ca 0.93 0.43 0.11 0.00 -1.03 0.00 0.00 54.13 54.57 1ci5 s LEU 23 Cb -0.81 -3.12 0.53 0.00 0.03 0.00 0.00 46.19 42.81 1ci5 s LEU 23 CO 0.55 -0.79 1.34 2.29 0.23 0.00 0.00 176.35 179.96 1ci5 n LYS 24 N 6.59 3.32 -3.15 1.70 -0.00 -1.26 -4.74 118.16 120.61 1ci5 n LYS 24 Ca 0.05 -2.04 0.06 0.00 -0.00 0.00 0.00 58.31 56.37 1ci5 n LYS 24 Cb 0.48 -1.89 -0.02 0.00 -0.00 0.00 0.00 35.03 33.61 1ci5 n LYS 24 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 1ci5 s GLU 25 N -2.01 0.09 -0.05 -1.58 2.12 -1.26 -3.80 118.70 112.21 1ci5 s GLU 25 Ca 0.36 0.16 0.00 0.00 0.36 0.00 0.00 54.97 55.85 1ci5 s GLU 25 Cb 0.26 0.09 0.02 0.00 0.26 0.00 0.00 34.13 34.76 1ci5 s GLU 25 CO 0.13 -0.10 -0.02 0.54 -0.54 0.00 0.00 175.26 175.27 1ci5 s VAL 26 N 2.98 0.41 -0.25 3.70 0.11 -0.85 -4.06 120.40 122.44 1ci5 s VAL 26 Ca -0.05 0.01 0.02 0.00 -2.93 0.00 0.00 61.98 59.03 1ci5 s VAL 26 Cb -0.09 -0.50 0.05 0.00 -1.53 0.00 0.00 36.38 34.31 1ci5 s VAL 26 CO -0.09 0.22 -0.12 -0.22 -3.33 0.00 0.00 175.10 171.57 1ci5 s LEU 27 N 1.34 3.27 -0.08 2.54 2.96 0.23 0.12 118.68 129.06 1ci5 s LEU 27 Ca -0.05 -1.26 -0.11 0.00 -0.22 0.00 0.00 54.13 52.48 1ci5 s LEU 27 Cb -0.13 -1.55 -0.05 0.00 0.50 0.00 0.00 46.19 44.96 1ci5 s LEU 27 CO -0.02 -0.16 0.28 0.26 -1.32 0.00 0.00 176.35 175.38 1ci5 s TRP 28 N 1.14 3.63 0.14 5.38 0.52 0.26 0.13 118.94 130.14 1ci5 s TRP 28 Ca -0.06 0.74 0.06 0.00 0.02 0.00 0.00 56.10 56.85 1ci5 s TRP 28 Cb -0.19 -2.16 -0.04 0.00 -1.15 0.00 0.00 33.47 29.93 1ci5 s TRP 28 CO -0.06 0.61 -0.14 0.15 0.02 0.00 0.00 176.95 177.53 1ci5 s LYS 29 N -0.78 1.10 -0.27 4.98 3.01 0.32 -0.58 119.74 127.52 1ci5 s LYS 29 Ca 0.19 -1.35 -0.04 0.00 -1.01 0.00 0.00 55.97 53.76 1ci5 s LYS 29 Cb -0.14 -0.92 0.09 0.00 -1.01 0.00 0.00 37.83 35.86 1ci5 s LYS 29 CO 0.08 0.16 0.14 0.21 0.51 0.00 0.00 175.35 176.45 1ci5 s LYS 30 N -3.04 0.18 6.53 1.68 2.20 -0.46 0.54 119.74 127.37 1ci5 s LYS 30 Ca 0.13 -0.40 0.00 0.00 -0.36 0.00 0.00 55.97 55.34 1ci5 s LYS 30 Cb -0.03 -1.25 0.00 0.00 -1.51 0.00 0.00 37.83 35.04 1ci5 s LYS 30 CO 0.03 -0.95 0.00 0.94 -0.36 0.00 0.00 175.35 175.02 1ci5 n GLN 31 N 5.26 0.00 -0.63 4.03 7.27 -1.21 -2.14 117.38 129.96 1ci5 n GLN 31 Ca -0.06 0.00 -0.03 0.00 0.07 0.00 0.00 57.00 56.98 1ci5 n GLN 31 Cb 0.44 0.00 0.20 0.00 2.41 0.00 0.00 30.24 33.28 1ci5 n GLN 31 CO 0.00 0.00 0.00 1.63 0.07 0.00 0.00 177.06 178.76 1ci5 n LYS 32 N 13.23 2.77 -4.37 3.69 4.01 -1.26 -4.90 118.16 131.33 1ci5 n LYS 32 Ca 0.00 -1.89 -0.19 0.00 -0.51 0.00 0.00 58.31 55.72 1ci5 n LYS 32 Cb 0.00 -1.88 -0.10 0.00 -0.51 0.00 0.00 35.03 32.54 1ci5 n LYS 32 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1ci5 s ASP 33 N -0.44 1.66 0.02 4.39 1.01 -0.91 -5.16 116.67 117.24 1ci5 s ASP 33 Ca 0.34 -1.40 0.00 0.00 0.71 0.00 0.00 52.55 52.20 1ci5 s ASP 33 Cb 0.27 0.09 -0.04 0.00 1.01 0.00 0.00 42.92 44.25 1ci5 s ASP 33 CO 0.09 -0.70 0.09 -0.54 0.21 0.00 0.00 175.17 174.32 1ci5 s LYS 34 N -3.97 3.06 -0.01 8.23 -0.14 -1.26 -1.35 119.74 124.29 1ci5 s LYS 34 Ca 0.37 -0.52 -0.01 0.00 -1.36 0.00 0.00 55.97 54.44 1ci5 s LYS 34 Cb 0.08 -2.85 -0.00 0.00 -1.68 0.00 0.00 37.83 33.38 1ci5 s LYS 34 CO 0.14 0.63 -0.03 0.28 -0.76 0.00 0.00 175.35 175.62 1ci5 n VAL 35 N 0.96 0.13 -4.01 3.17 0.31 0.25 -4.37 118.33 114.76 1ci5 n VAL 35 Ca -0.11 0.37 -0.08 0.00 -0.01 0.00 0.00 64.34 64.51 1ci5 n VAL 35 Cb 0.52 -1.46 -0.09 0.00 -0.91 0.00 0.00 33.84 31.90 1ci5 n VAL 35 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ci5 s ALA 36 N -2.77 0.26 -0.14 3.52 0.00 -0.93 -1.83 121.76 119.87 1ci5 s ALA 36 Ca -0.02 -1.00 -0.06 0.00 0.00 0.00 0.00 51.96 50.88 1ci5 s ALA 36 Cb 0.00 0.33 0.07 0.00 0.00 0.00 0.00 23.12 23.52 1ci5 s ALA 36 CO 0.03 -0.41 0.31 -2.00 0.00 0.00 0.00 175.76 173.69 1ci5 s GLU 37 N -3.83 0.22 -0.01 0.00 2.12 0.70 0.89 118.70 118.79 1ci5 s GLU 37 Ca 0.06 0.77 0.03 0.00 0.36 0.00 0.00 54.97 56.19 1ci5 s GLU 37 Cb 0.07 0.03 -0.03 0.00 0.26 0.00 0.00 34.13 34.45 1ci5 s GLU 37 CO -0.10 -0.24 -0.06 -1.17 -0.54 0.00 0.00 175.26 173.15 1ci5 s LEU 38 N 2.11 3.18 -0.29 2.70 2.96 0.32 -2.03 118.68 127.63 1ci5 s LEU 38 Ca -0.03 -0.12 -0.22 0.00 -0.22 0.00 0.00 54.13 53.53 1ci5 s LEU 38 Cb -0.11 -1.81 0.18 0.00 0.50 0.00 0.00 46.19 44.95 1ci5 s LEU 38 CO -0.10 0.29 1.30 -0.70 -1.32 0.00 0.00 176.35 175.83 1ci5 s GLU 39 N -1.35 0.15 -1.33 1.98 2.12 0.32 -2.00 118.70 118.60 1ci5 s GLU 39 Ca 0.17 0.20 -0.04 0.00 0.36 0.00 0.00 54.97 55.66 1ci5 s GLU 39 Cb -0.11 0.06 0.02 0.00 0.26 0.00 0.00 34.13 34.36 1ci5 s GLU 39 CO 0.07 -0.02 0.94 -1.71 -0.54 0.00 0.00 175.26 174.00 1ci5 n ASN 40 N 2.17 -3.17 -1.96 -1.70 5.15 -1.25 -1.07 115.26 113.44 1ci5 n ASN 40 Ca -0.13 -0.69 -0.18 0.00 -0.60 0.00 0.00 54.58 52.98 1ci5 n ASN 40 Cb 0.57 -4.56 -0.04 0.00 -0.53 0.00 0.00 39.78 35.21 1ci5 n ASN 40 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 1ci5 n SER 41 N -3.03 -4.98 -4.07 1.20 3.41 -1.26 -4.95 113.62 99.94 1ci5 n SER 41 Ca -0.17 0.25 -0.27 0.00 -0.26 0.00 0.00 58.87 58.42 1ci5 n SER 41 Cb 0.62 -4.31 -0.17 0.00 -0.26 0.00 0.00 64.21 60.09 1ci5 n SER 41 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 1ci5 s GLU 42 N -4.26 2.09 0.02 4.33 2.56 -0.23 -5.13 118.70 118.07 1ci5 s GLU 42 Ca 0.00 -0.54 0.06 0.00 0.00 0.00 0.00 54.97 54.49 1ci5 s GLU 42 Cb 0.00 -1.71 -0.03 0.00 2.00 0.00 0.00 34.13 34.39 1ci5 s GLU 42 CO 0.00 0.02 -0.15 0.12 -0.56 0.00 0.00 175.26 174.70 1ci5 s PHE 43 N 0.72 2.65 -0.12 5.30 5.36 -1.26 -0.52 117.98 130.10 1ci5 s PHE 43 Ca -0.13 -0.19 -0.30 0.00 -0.96 0.00 0.00 56.93 55.35 1ci5 s PHE 43 Cb -0.16 -1.52 0.09 0.00 -0.34 0.00 0.00 43.02 41.09 1ci5 s PHE 43 CO 0.03 0.27 0.77 0.50 -1.46 0.00 0.00 175.22 175.34 1ci5 s ARG 44 N -1.35 0.89 0.36 10.12 3.52 -0.86 -5.02 118.95 126.62 1ci5 s ARG 44 Ca 0.15 0.37 0.08 0.00 -0.13 0.00 0.00 55.73 56.19 1ci5 s ARG 44 Cb -0.11 0.42 -0.02 0.00 -1.56 0.00 0.00 34.95 33.68 1ci5 s ARG 44 CO 0.05 -0.25 0.33 0.00 -0.81 0.00 0.00 175.30 174.63 1ci5 s ALA 45 N -0.85 3.94 0.49 6.12 0.00 -1.26 -0.22 121.76 129.98 1ci5 s ALA 45 Ca -0.07 -1.73 0.06 0.00 0.00 0.00 0.00 51.96 50.23 1ci5 s ALA 45 Cb -0.01 -1.14 0.00 0.00 0.00 0.00 0.00 23.12 21.97 1ci5 s ALA 45 CO 0.06 -0.08 0.34 -0.06 0.00 0.00 0.00 175.76 176.02 1ci5 s PHE 46 N -2.36 2.07 0.00 0.00 0.08 -0.76 -4.61 117.98 112.40 1ci5 s PHE 46 Ca 0.44 -0.72 0.00 0.00 0.12 0.00 0.00 56.93 56.77 1ci5 s PHE 46 Cb -0.05 -1.97 0.00 0.00 -0.57 0.00 0.00 43.02 40.43 1ci5 s PHE 46 CO 0.27 -0.24 0.00 0.43 -0.10 0.00 0.00 175.22 175.59 1ci5 n SER 47 N -1.59 0.00 -0.77 1.36 7.64 -1.26 -1.05 113.62 117.95 1ci5 n SER 47 Ca -0.01 0.00 -0.02 0.00 1.01 0.00 0.00 58.87 59.85 1ci5 n SER 47 Cb 0.64 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.82 1ci5 n SER 47 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1ci5 n SER 48 N 2.18 -0.21 0.07 6.43 3.41 -1.26 -4.92 113.62 119.32 1ci5 n SER 48 Ca 0.00 -1.58 -0.13 0.00 -0.26 0.00 0.00 58.87 56.90 1ci5 n SER 48 Cb 0.00 0.04 -0.04 0.00 -0.26 0.00 0.00 64.21 63.94 1ci5 n SER 48 CO 0.00 0.00 0.00 -0.26 -0.16 0.00 0.00 175.04 174.62 1ci5 h PHE 49 N 0.11 0.57 -2.54 7.33 0.04 -1.38 -3.46 116.94 117.61 1ci5 h PHE 49 Ca -0.21 -0.31 -0.60 0.00 2.80 0.00 0.00 57.97 59.65 1ci5 h PHE 49 Cb 1.29 -0.06 0.15 0.00 2.20 0.00 0.00 35.95 39.53 1ci5 h PHE 49 CO -0.15 1.13 -0.39 1.17 -0.60 0.00 0.00 178.31 179.47 1ci5 n LYS 50 N -3.73 0.59 -0.92 1.51 0.00 -1.26 -1.14 118.16 113.21 1ci5 n LYS 50 Ca -0.06 0.22 0.00 0.00 0.00 0.00 0.00 58.31 58.47 1ci5 n LYS 50 Cb 0.83 -1.58 0.00 0.00 0.00 0.00 0.00 35.03 34.29 1ci5 n LYS 50 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 1ci5 n ASN 51 N 1.07 -0.70 -0.44 3.14 4.05 -1.26 -4.73 115.26 116.38 1ci5 n ASN 51 Ca 0.11 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.14 1ci5 n ASN 51 Cb 0.42 -0.62 0.00 0.00 1.23 0.00 0.00 39.78 40.80 1ci5 n ASN 51 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 177.26 174.75 1ci5 n ARG 52 N -2.04 0.00 -4.16 1.20 1.74 -0.29 -5.07 116.66 108.05 1ci5 n ARG 52 Ca 0.00 -0.90 -0.14 0.00 -0.77 0.00 0.00 57.85 56.03 1ci5 n ARG 52 Cb 0.02 -0.48 -0.11 0.00 -1.02 0.00 0.00 32.46 30.87 1ci5 n ARG 52 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 1ci5 s VAL 53 N 0.00 0.88 -0.43 1.55 -7.23 -1.21 -1.33 120.40 112.64 1ci5 s VAL 53 Ca 0.00 -1.52 0.04 0.00 -1.81 0.00 0.00 61.98 58.69 1ci5 s VAL 53 Cb 0.00 -1.22 0.17 0.00 0.56 0.00 0.00 36.38 35.89 1ci5 s VAL 53 CO 0.00 -0.50 0.35 -0.47 -0.31 0.00 0.00 175.10 174.16 1ci5 s TYR 54 N -2.18 1.23 0.10 2.82 6.14 0.30 -4.92 117.35 120.84 1ci5 s TYR 54 Ca 0.02 -2.38 -0.30 0.00 0.64 0.00 0.00 57.07 55.05 1ci5 s TYR 54 Cb -0.04 -1.03 -0.06 0.00 0.42 0.00 0.00 41.96 41.25 1ci5 s TYR 54 CO 0.00 -0.81 0.98 -1.17 0.64 0.00 0.00 175.55 175.19 1ci5 s LEU 55 N -0.01 4.48 0.84 6.97 2.96 -1.26 -1.25 118.68 131.41 1ci5 s LEU 55 Ca 0.32 1.80 -0.12 0.00 -0.22 0.00 0.00 54.13 55.92 1ci5 s LEU 55 Cb 0.03 -3.59 0.10 0.00 0.50 0.00 0.00 46.19 43.23 1ci5 s LEU 55 CO -0.19 -0.11 1.11 -0.62 -1.32 0.00 0.00 176.35 175.21 1ci5 s ASP 56 N 0.14 4.07 -0.34 3.68 2.15 0.28 -4.95 116.67 121.70 1ci5 s ASP 56 Ca 0.48 1.24 0.07 0.00 0.43 0.00 0.00 52.55 54.77 1ci5 s ASP 56 Cb -0.24 -1.93 0.45 0.00 -0.30 0.00 0.00 42.92 40.90 1ci5 s ASP 56 CO 0.30 -2.23 1.16 0.35 -0.17 0.00 0.00 175.17 174.57 1ci5 n THR 57 N -3.59 2.41 0.00 1.71 -2.24 -1.26 -4.40 114.28 106.91 1ci5 n THR 57 Ca 0.07 -4.42 0.00 0.00 -2.27 0.00 0.00 64.05 57.43 1ci5 n THR 57 Cb 0.57 -1.09 0.00 0.00 -2.10 0.00 0.00 70.33 67.71 1ci5 n THR 57 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1ci5 n LYS 58 N -0.62 0.00 -0.22 -0.78 3.00 -1.26 -4.73 118.16 113.56 1ci5 n LYS 58 Ca 0.41 0.00 0.11 0.00 -0.00 0.00 0.00 58.31 58.83 1ci5 n LYS 58 Cb 0.85 0.00 0.22 0.00 0.00 0.00 0.00 35.03 36.10 1ci5 n LYS 58 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1ci5 n SER 59 N -2.16 3.44 0.00 3.14 2.88 -1.26 -0.15 113.62 119.51 1ci5 n SER 59 Ca 0.00 -1.96 0.00 0.00 -1.33 0.00 0.00 58.87 55.58 1ci5 n SER 59 Cb 0.00 -0.28 0.00 0.00 -0.75 0.00 0.00 64.21 63.18 1ci5 n SER 59 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ci5 n GLY 60 N 1.38 1.01 3.63 0.46 0.00 -1.26 -4.46 105.19 105.96 1ci5 n GLY 60 Ca 0.19 0.00 -0.53 0.00 0.00 0.00 0.00 46.02 45.68 1ci5 n GLY 60 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ci5 n SER 61 N 0.00 2.03 -4.78 1.61 7.64 -1.26 -4.57 113.62 114.30 1ci5 n SER 61 Ca 0.00 1.10 -0.35 0.00 1.01 0.00 0.00 58.87 60.63 1ci5 n SER 61 Cb 0.00 -1.20 -0.07 0.00 -1.01 0.00 0.00 64.21 61.92 1ci5 n SER 61 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1ci5 s LEU 62 N 1.49 3.94 -0.24 -3.43 2.96 -0.99 0.10 118.68 122.51 1ci5 s LEU 62 Ca 0.88 0.24 -0.01 0.00 -0.22 0.00 0.00 54.13 55.03 1ci5 s LEU 62 Cb -0.95 -2.07 0.07 0.00 0.50 0.00 0.00 46.19 43.74 1ci5 s LEU 62 CO 0.51 0.35 0.02 -0.89 -1.32 0.00 0.00 176.35 175.03 1ci5 s THR 63 N -1.04 0.97 0.40 3.68 2.01 -0.38 0.18 115.64 121.46 1ci5 s THR 63 Ca 0.17 -1.01 -0.20 0.00 0.31 0.00 0.00 61.69 60.96 1ci5 s THR 63 Cb -0.12 -1.47 -0.10 0.00 0.01 0.00 0.00 72.50 70.82 1ci5 s THR 63 CO 0.07 -0.30 0.90 -0.63 -0.69 0.00 0.00 174.62 173.97 1ci5 s ILE 64 N 1.63 4.44 0.10 1.82 1.01 0.23 0.11 121.20 130.55 1ci5 s ILE 64 Ca 0.00 1.39 0.10 0.00 0.00 0.00 0.00 60.65 62.14 1ci5 s ILE 64 Cb -0.18 -3.62 -0.04 0.00 0.01 0.00 0.00 42.46 38.63 1ci5 s ILE 64 CO -0.12 -0.27 -0.26 -0.31 0.00 0.00 0.00 174.94 173.99 1ci5 s TYR 65 N -2.11 2.23 -0.15 3.97 1.51 -0.44 -2.43 117.35 119.93 1ci5 s TYR 65 Ca 0.60 -0.39 -0.02 0.00 -1.01 0.00 0.00 57.07 56.24 1ci5 s TYR 65 Cb -0.10 -1.25 0.01 0.00 -0.11 0.00 0.00 41.96 40.52 1ci5 s TYR 65 CO 0.14 0.26 0.04 0.09 -1.11 0.00 0.00 175.55 174.98 1ci5 n ASN 66 N 1.18 -6.27 -4.96 2.29 4.13 -0.74 -4.80 115.26 106.08 1ci5 n ASN 66 Ca -0.18 1.02 -0.22 0.00 1.68 0.00 0.00 54.58 56.88 1ci5 n ASN 66 Cb 0.53 -3.58 0.01 0.00 -1.54 0.00 0.00 39.78 35.20 1ci5 n ASN 66 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1ci5 s LEU 67 N -1.05 3.73 0.00 3.41 1.43 -1.21 -4.80 118.68 120.19 1ci5 s LEU 67 Ca -0.05 0.18 0.00 0.00 -1.03 0.00 0.00 54.13 53.23 1ci5 s LEU 67 Cb 0.00 -3.07 0.00 0.00 0.03 0.00 0.00 46.19 43.15 1ci5 s LEU 67 CO 0.42 -0.63 0.00 0.35 0.23 0.00 0.00 176.35 176.72 1ci5 n THR 68 N -1.97 0.00 0.21 5.49 -2.24 -1.26 -2.21 114.28 112.30 1ci5 n THR 68 Ca 0.01 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 61.89 1ci5 n THR 68 Cb 0.58 0.00 0.27 0.00 -2.10 0.00 0.00 70.33 69.07 1ci5 n THR 68 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1ci5 h SER 69 N 0.00 0.00 1.35 3.42 4.64 -1.99 -3.00 113.55 117.97 1ci5 h SER 69 Ca 0.00 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.22 1ci5 h SER 69 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 1ci5 h SER 69 CO 0.00 0.16 -0.50 -1.28 -0.87 0.00 0.00 176.83 174.34 1ci5 h SER 70 N 0.00 0.00 0.11 4.97 0.87 -2.00 -3.11 113.55 114.38 1ci5 h SER 70 Ca -0.00 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1ci5 h SER 70 Cb 0.97 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.93 1ci5 h SER 70 CO 0.02 0.50 -0.02 0.44 -0.53 0.00 0.00 176.83 177.24 1ci5 h ASP 71 N 0.00 0.00 -0.71 6.23 5.19 -1.92 -3.36 116.42 121.85 1ci5 h ASP 71 Ca -0.00 0.00 -0.40 0.00 -0.62 0.00 0.00 57.03 56.00 1ci5 h ASP 71 Cb 1.30 0.00 -0.06 0.00 0.18 0.00 0.00 39.33 40.76 1ci5 h ASP 71 CO 0.06 0.02 1.16 -0.70 -3.12 0.00 0.00 179.24 176.66 1ci5 s GLU 72 N -4.30 2.88 0.19 3.56 -6.30 -1.18 -4.63 118.70 108.92 1ci5 s GLU 72 Ca -0.04 -0.95 -0.23 0.00 -2.50 0.00 0.00 54.97 51.24 1ci5 s GLU 72 Cb 0.14 -5.23 0.05 0.00 0.00 0.00 0.00 34.13 29.08 1ci5 s GLU 72 CO 0.49 -3.27 0.77 0.34 0.02 0.00 0.00 175.26 173.61 1ci5 s ASP 73 N 6.53 -0.33 0.16 -1.70 2.15 -0.84 -4.93 116.67 117.72 1ci5 s ASP 73 Ca 0.64 -0.35 -0.30 0.00 0.43 0.00 0.00 52.55 52.97 1ci5 s ASP 73 Cb -0.02 0.60 -0.07 0.00 -0.30 0.00 0.00 42.92 43.13 1ci5 s ASP 73 CO 0.04 -1.07 1.09 -0.70 -0.17 0.00 0.00 175.17 174.35 1ci5 s GLU 74 N -3.64 4.59 0.16 4.34 -6.30 -1.26 -1.30 118.70 115.29 1ci5 s GLU 74 Ca 0.08 1.68 0.08 0.00 -2.50 0.00 0.00 54.97 54.31 1ci5 s GLU 74 Cb -0.03 -3.30 -0.04 0.00 0.00 0.00 0.00 34.13 30.76 1ci5 s GLU 74 CO -0.01 0.06 -0.08 0.71 0.02 0.00 0.00 175.26 175.97 1ci5 s TYR 75 N -0.08 2.69 0.19 5.30 1.51 0.18 -3.35 117.35 123.80 1ci5 s TYR 75 Ca 0.50 -0.19 0.03 0.00 -1.01 0.00 0.00 57.07 56.39 1ci5 s TYR 75 Cb -0.28 -1.33 -0.05 0.00 -0.11 0.00 0.00 41.96 40.19 1ci5 s TYR 75 CO 0.34 0.50 -0.02 -2.00 -1.11 0.00 0.00 175.55 173.25 1ci5 s GLU 76 N -2.73 1.18 -0.11 -0.62 2.12 0.19 -1.47 118.70 117.27 1ci5 s GLU 76 Ca 0.25 -1.57 -0.09 0.00 0.36 0.00 0.00 54.97 53.92 1ci5 s GLU 76 Cb -0.09 -0.46 0.03 0.00 0.26 0.00 0.00 34.13 33.87 1ci5 s GLU 76 CO 0.15 -0.08 0.28 1.41 -0.54 0.00 0.00 175.26 176.49 1ci5 s MET 77 N -3.86 0.31 -0.17 4.30 -2.45 -0.65 0.12 119.30 116.90 1ci5 s MET 77 Ca 0.24 0.43 0.01 0.00 -1.25 0.00 0.00 55.69 55.12 1ci5 s MET 77 Cb 0.05 0.11 0.02 0.00 1.25 0.00 0.00 34.83 36.26 1ci5 s MET 77 CO 0.05 -0.06 -0.20 -1.21 1.05 0.00 0.00 175.02 174.65 1ci5 s GLU 78 N 0.36 2.90 -0.04 4.11 8.01 0.34 -1.08 118.70 133.30 1ci5 s GLU 78 Ca -0.02 -0.80 0.00 0.00 0.01 0.00 0.00 54.97 54.17 1ci5 s GLU 78 Cb -0.03 -2.48 0.02 0.00 -4.31 0.00 0.00 34.13 27.33 1ci5 s GLU 78 CO -0.01 -0.18 -0.02 0.45 0.01 0.00 0.00 175.26 175.51 1ci5 s SER 79 N 1.24 0.78 0.28 -0.19 0.15 -1.26 -0.60 113.70 114.09 1ci5 s SER 79 Ca 0.03 -0.07 0.00 0.00 0.70 0.00 0.00 55.95 56.61 1ci5 s SER 79 Cb -0.13 -0.34 0.51 0.00 -1.71 0.00 0.00 66.02 64.35 1ci5 s SER 79 CO -0.11 -0.09 1.86 -0.65 1.20 0.00 0.00 173.24 175.44 1ci5 h PRO 80 N 7.35 1.03 -0.14 5.44 0.11 -1.96 -1.13 132.00 142.70 1ci5 h PRO 80 Ca -0.38 -0.06 -0.16 0.00 0.11 0.00 0.00 66.00 65.52 1ci5 h PRO 80 Cb 1.14 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 32.01 1ci5 h PRO 80 CO 0.44 0.68 -0.58 -0.97 -0.21 0.00 0.00 178.00 177.37 1ci5 h ASN 81 N 1.06 0.49 -4.00 -2.05 -0.00 -1.96 -3.45 115.58 105.66 1ci5 h ASN 81 Ca 0.47 -0.27 -0.55 0.00 -0.00 0.00 0.00 56.30 55.95 1ci5 h ASN 81 Cb 0.37 -0.14 0.17 0.00 -0.00 0.00 0.00 38.32 38.73 1ci5 h ASN 81 CO -0.23 0.96 0.32 -0.38 -0.00 0.00 0.00 177.43 178.10 1ci5 n ILE 82 N -3.92 3.52 -0.07 2.57 5.41 -0.43 -4.93 119.36 121.50 1ci5 n ILE 82 Ca -0.03 -0.39 -0.15 0.00 1.00 0.00 0.00 62.75 63.19 1ci5 n ILE 82 Cb 0.61 -1.28 -0.04 0.00 -0.71 0.00 0.00 39.64 38.22 1ci5 n ILE 82 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 176.55 177.29 1ci5 h THR 83 N -0.08 1.28 0.00 1.39 2.02 -1.87 -3.47 112.91 112.18 1ci5 h THR 83 Ca -0.49 -1.74 0.00 0.00 0.77 0.00 0.00 66.41 64.95 1ci5 h THR 83 Cb 1.33 1.65 0.00 0.00 -1.74 0.00 0.00 68.15 69.38 1ci5 h THR 83 CO 0.49 0.57 0.00 0.47 0.37 0.00 0.00 175.52 177.42 1ci5 n ASP 84 N -4.00 0.00 -3.62 4.18 8.00 -1.26 -5.14 116.55 114.71 1ci5 n ASP 84 Ca -0.04 0.00 -0.04 0.00 0.71 0.00 0.00 54.79 55.42 1ci5 n ASP 84 Cb 0.63 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.72 1ci5 n ASP 84 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1ci5 s SER 85 N 1.00 -0.18 0.15 -2.24 1.04 -1.26 -4.58 113.70 107.63 1ci5 s SER 85 Ca 0.00 -0.13 0.03 0.00 0.48 0.00 0.00 55.95 56.33 1ci5 s SER 85 Cb 0.00 0.29 -0.04 0.00 0.10 0.00 0.00 66.02 66.37 1ci5 s SER 85 CO 0.00 -0.50 0.22 -0.32 0.98 0.00 0.00 173.24 173.62 1ci5 s MET 86 N -2.79 3.21 -0.39 4.02 1.75 -0.24 -4.91 119.30 119.96 1ci5 s MET 86 Ca 0.10 -0.70 0.04 0.00 -1.25 0.00 0.00 55.69 53.89 1ci5 s MET 86 Cb 0.00 -2.84 0.16 0.00 2.84 0.00 0.00 34.83 35.00 1ci5 s MET 86 CO -0.04 0.51 0.44 0.15 -0.65 0.00 0.00 175.02 175.44 1ci5 s LYS 87 N -3.11 0.71 -0.20 4.11 3.01 -1.26 -1.63 119.74 121.37 1ci5 s LYS 87 Ca 0.33 -0.83 -0.04 0.00 -1.01 0.00 0.00 55.97 54.42 1ci5 s LYS 87 Cb -0.11 -0.57 -0.02 0.00 -1.01 0.00 0.00 37.83 36.12 1ci5 s LYS 87 CO 0.26 -1.21 -0.03 -0.06 0.51 0.00 0.00 175.35 174.82 1ci5 s PHE 88 N 1.40 2.98 -0.22 3.18 0.40 -0.54 -2.04 117.98 123.15 1ci5 s PHE 88 Ca 0.18 -0.65 -0.24 0.00 -0.60 0.00 0.00 56.93 55.62 1ci5 s PHE 88 Cb -0.12 -2.07 -0.01 0.00 0.51 0.00 0.00 43.02 41.34 1ci5 s PHE 88 CO -0.04 -0.35 0.79 0.12 0.70 0.00 0.00 175.22 176.45 1ci5 s PHE 89 N 1.10 3.35 -0.04 0.36 2.19 0.11 -0.64 117.98 124.41 1ci5 s PHE 89 Ca 0.02 1.13 -0.14 0.00 0.33 0.00 0.00 56.93 58.26 1ci5 s PHE 89 Cb -0.15 -3.00 -0.05 0.00 -1.31 0.00 0.00 43.02 38.51 1ci5 s PHE 89 CO 0.00 -0.32 0.38 -1.17 1.83 0.00 0.00 175.22 175.95 1ci5 s LEU 90 N 2.51 4.42 -0.13 6.12 2.96 -0.42 0.12 118.68 134.26 1ci5 s LEU 90 Ca 0.35 0.86 0.00 0.00 -0.22 0.00 0.00 54.13 55.12 1ci5 s LEU 90 Cb -0.16 -2.54 0.02 0.00 0.50 0.00 0.00 46.19 44.02 1ci5 s LEU 90 CO 0.09 0.27 -0.11 -0.31 -1.32 0.00 0.00 176.35 174.97 1ci5 s TYR 91 N -0.72 1.89 -0.17 5.38 2.02 -0.49 -1.98 117.35 123.28 1ci5 s TYR 91 Ca 0.23 -1.03 -0.16 0.00 -0.37 0.00 0.00 57.07 55.74 1ci5 s TYR 91 Cb -0.16 -1.45 -0.04 0.00 -0.40 0.00 0.00 41.96 39.91 1ci5 s TYR 91 CO 0.11 -0.61 0.38 0.08 -1.57 0.00 0.00 175.55 173.95 1ci5 s VAL 92 N 1.58 5.23 0.44 0.71 1.01 -1.26 0.73 120.40 128.83 1ci5 s VAL 92 Ca 0.05 0.71 0.03 0.00 0.00 0.00 0.00 61.98 62.77 1ci5 s VAL 92 Cb -0.13 -3.72 -0.03 0.00 0.00 0.00 0.00 36.38 32.51 1ci5 s VAL 92 CO -0.10 0.31 0.06 -0.83 0.00 0.00 0.00 175.10 174.54 1ci5 s GLY 93 N 0.77 2.68 -0.03 4.51 0.00 0.41 -4.92 107.32 110.74 1ci5 s GLY 93 Ca 0.20 -1.16 -0.07 0.00 0.00 0.00 0.00 44.72 43.69 1ci5 s GLY 93 CO 0.07 -2.00 0.73 0.83 0.00 0.00 0.00 173.10 172.74 1ci5 h GLU 94 N 1.67 0.32 0.00 2.90 5.08 -1.95 0.21 114.58 122.81 1ci5 h GLU 94 Ca -0.40 -0.55 0.00 0.00 -1.00 0.00 0.00 59.36 57.41 1ci5 h GLU 94 Cb 1.28 0.20 0.00 0.00 0.50 0.00 0.00 28.75 30.73 1ci5 h GLU 94 CO 0.68 1.21 0.00 -1.13 -1.00 0.00 0.00 179.01 178.77