#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ic5 s VAL 2 N 0.00 4.31 0.01 2.53 1.01 -1.26 -4.09 120.40 122.91 1ic5 s VAL 2 Ca 0.00 1.98 0.04 0.00 0.00 0.00 0.00 61.98 64.00 1ic5 s VAL 2 Cb 0.00 -4.28 -0.01 0.00 0.00 0.00 0.00 36.38 32.09 1ic5 s VAL 2 CO 0.00 0.44 -0.13 -1.58 0.00 0.00 0.00 175.10 173.83 1ic5 s GLN 3 N -0.71 0.96 0.02 2.72 0.74 0.18 -4.98 119.66 118.58 1ic5 s GLN 3 Ca 0.42 -0.57 0.06 0.00 0.05 0.00 0.00 55.36 55.31 1ic5 s GLN 3 Cb -0.24 -0.94 -0.03 0.00 1.10 0.00 0.00 33.01 32.90 1ic5 s GLN 3 CO 0.30 0.25 -0.16 -0.51 -0.55 0.00 0.00 175.29 174.61 1ic5 s LEU 4 N -0.66 2.70 -0.08 3.68 1.02 -1.26 -1.25 118.68 122.82 1ic5 s LEU 4 Ca 0.03 -0.34 -0.03 0.00 0.02 0.00 0.00 54.13 53.81 1ic5 s LEU 4 Cb -0.06 -1.57 0.05 0.00 0.02 0.00 0.00 46.19 44.63 1ic5 s LEU 4 CO 0.00 0.28 0.16 -1.58 0.02 0.00 0.00 176.35 175.23 1ic5 s GLN 5 N -1.27 0.05 0.32 1.70 2.00 -0.89 -4.20 119.66 117.36 1ic5 s GLN 5 Ca 0.14 0.52 -0.24 0.00 -2.00 0.00 0.00 55.36 53.78 1ic5 s GLN 5 Cb -0.11 -0.25 -0.10 0.00 0.80 0.00 0.00 33.01 33.36 1ic5 s GLN 5 CO 0.05 -0.27 0.89 -1.21 -0.50 0.00 0.00 175.29 174.24 1ic5 s GLU 6 N 2.02 4.45 0.04 1.67 8.01 -1.26 -1.83 118.70 131.80 1ic5 s GLU 6 Ca 0.00 1.18 -0.13 0.00 0.01 0.00 0.00 54.97 56.03 1ic5 s GLU 6 Cb -0.12 -2.72 0.02 0.00 -4.31 0.00 0.00 34.13 27.00 1ic5 s GLU 6 CO -0.06 0.26 0.29 -1.54 0.01 0.00 0.00 175.26 174.22 1ic5 s SER 7 N -1.72 -0.10 0.00 -0.19 1.04 -0.55 -4.98 113.70 107.19 1ic5 s SER 7 Ca 0.50 -0.22 0.00 0.00 0.48 0.00 0.00 55.95 56.71 1ic5 s SER 7 Cb -0.17 0.35 0.00 0.00 0.10 0.00 0.00 66.02 66.30 1ic5 s SER 7 CO 0.21 -0.61 0.00 0.61 0.98 0.00 0.00 173.24 174.43 1ic5 n GLY 8 N 0.58 1.08 3.78 7.32 0.00 -1.26 -0.69 105.19 116.00 1ic5 n GLY 8 Ca -0.19 -1.74 -0.30 0.00 0.00 0.00 0.00 46.02 43.79 1ic5 n GLY 8 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ic5 s PRO 9 N -1.43 2.21 0.00 1.61 0.04 -1.26 -4.98 135.00 131.18 1ic5 s PRO 9 Ca 0.00 0.91 0.08 0.00 0.04 0.00 0.00 61.00 62.03 1ic5 s PRO 9 Cb 0.00 -1.91 -0.08 0.00 0.04 0.00 0.00 34.50 32.55 1ic5 s PRO 9 CO 0.00 -1.60 0.35 -1.13 0.04 0.00 0.00 177.00 174.66 1ic5 n SER 10 N -3.46 0.42 -3.83 6.66 3.41 -1.26 -4.79 113.62 110.77 1ic5 n SER 10 Ca 0.08 -0.71 -0.19 0.00 -0.26 0.00 0.00 58.87 57.78 1ic5 n SER 10 Cb 0.54 0.96 -0.17 0.00 -0.26 0.00 0.00 64.21 65.29 1ic5 n SER 10 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1ic5 s LEU 11 N -2.30 1.09 0.15 1.04 0.20 -1.26 -0.22 118.68 117.38 1ic5 s LEU 11 Ca 0.03 -0.07 0.02 0.00 0.69 0.00 0.00 54.13 54.80 1ic5 s LEU 11 Cb 0.06 -0.35 -0.04 0.00 -0.43 0.00 0.00 46.19 45.42 1ic5 s LEU 11 CO 0.31 -0.10 -0.04 0.68 -0.29 0.00 0.00 176.35 176.91 1ic5 s VAL 12 N 1.19 0.80 0.20 1.68 -7.23 -0.72 -4.96 120.40 111.36 1ic5 s VAL 12 Ca -0.07 -1.99 0.04 0.00 -1.81 0.00 0.00 61.98 58.16 1ic5 s VAL 12 Cb -0.14 -1.95 -0.03 0.00 0.56 0.00 0.00 36.38 34.82 1ic5 s VAL 12 CO -0.02 -0.64 0.30 -0.54 -0.31 0.00 0.00 175.10 173.90 1ic5 s LYS 13 N -3.86 3.35 0.49 4.82 -0.14 -1.26 -0.49 119.74 122.64 1ic5 s LYS 13 Ca 0.19 -0.74 -0.24 0.00 -1.36 0.00 0.00 55.97 53.82 1ic5 s LYS 13 Cb 0.05 -2.86 -0.07 0.00 -1.68 0.00 0.00 37.83 33.26 1ic5 s LYS 13 CO 0.01 0.46 1.40 -2.30 -0.76 0.00 0.00 175.35 174.16 1ic5 n PRO 14 N -0.99 2.03 -0.76 -1.68 -0.02 -1.26 -2.12 135.00 130.20 1ic5 n PRO 14 Ca -0.08 0.73 0.00 0.00 -2.02 0.00 0.00 63.50 62.13 1ic5 n PRO 14 Cb 0.56 -2.60 0.00 0.00 -0.02 0.00 0.00 33.50 31.44 1ic5 n PRO 14 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1ic5 n SER 15 N -0.47 0.00 -1.94 2.55 7.64 0.11 -4.90 113.62 116.61 1ic5 n SER 15 Ca 0.07 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.95 1ic5 n SER 15 Cb 0.42 -0.31 0.00 0.00 -1.01 0.00 0.00 64.21 63.31 1ic5 n SER 15 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ic5 n GLN 16 N -2.00 0.72 -3.78 1.43 10.64 -0.90 -3.91 117.38 119.58 1ic5 n GLN 16 Ca 0.00 0.00 -0.37 0.00 -1.83 0.00 0.00 57.00 54.80 1ic5 n GLN 16 Cb 0.00 0.00 -0.13 0.00 -0.86 0.00 0.00 30.24 29.25 1ic5 n GLN 16 CO 0.00 0.00 0.00 0.99 -1.83 0.00 0.00 177.06 176.22 1ic5 s THR 17 N 0.26 3.94 0.04 -0.39 2.01 -1.26 -1.86 115.64 118.38 1ic5 s THR 17 Ca 0.00 -0.61 -0.30 0.00 0.31 0.00 0.00 61.69 61.09 1ic5 s THR 17 Cb 0.00 -2.99 -0.04 0.00 0.01 0.00 0.00 72.50 69.48 1ic5 s THR 17 CO 0.00 0.15 1.07 -0.22 -0.69 0.00 0.00 174.62 174.92 1ic5 s LEU 18 N 1.51 4.39 -0.09 4.42 2.96 -0.36 -4.90 118.68 126.60 1ic5 s LEU 18 Ca 0.03 1.83 0.01 0.00 -0.22 0.00 0.00 54.13 55.77 1ic5 s LEU 18 Cb -0.17 -3.58 0.02 0.00 0.50 0.00 0.00 46.19 42.97 1ic5 s LEU 18 CO 0.02 -0.32 -0.09 -0.44 -1.32 0.00 0.00 176.35 174.20 1ic5 s SER 19 N 0.89 1.94 0.21 3.68 0.01 -1.26 -0.10 113.70 119.06 1ic5 s SER 19 Ca 0.54 -0.28 0.09 0.00 1.31 0.00 0.00 55.95 57.60 1ic5 s SER 19 Cb -0.25 -0.80 -0.05 0.00 0.21 0.00 0.00 66.02 65.14 1ic5 s SER 19 CO 0.29 -0.06 -0.16 -0.76 0.41 0.00 0.00 173.24 172.95 1ic5 s LEU 20 N 1.30 2.53 0.06 2.44 1.43 0.12 -4.56 118.68 122.00 1ic5 s LEU 20 Ca -0.03 -0.98 0.07 0.00 -1.03 0.00 0.00 54.13 52.16 1ic5 s LEU 20 Cb -0.14 -0.77 -0.03 0.00 0.03 0.00 0.00 46.19 45.28 1ic5 s LEU 20 CO -0.03 -0.11 -0.20 0.28 0.23 0.00 0.00 176.35 176.52 1ic5 s THR 21 N -2.69 1.64 -0.26 5.49 -1.32 0.13 -1.96 115.64 116.67 1ic5 s THR 21 Ca 0.22 -1.26 0.02 0.00 -1.21 0.00 0.00 61.69 59.46 1ic5 s THR 21 Cb -0.03 -1.45 0.06 0.00 -1.51 0.00 0.00 72.50 69.57 1ic5 s THR 21 CO 0.08 0.14 -0.09 0.00 -2.21 0.00 0.00 174.62 172.53 1ic5 s SER 23 N 1.14 6.71 -0.12 0.00 0.01 -0.76 -1.46 113.70 119.22 1ic5 s SER 23 Ca -0.08 0.85 -0.06 0.00 1.31 0.00 0.00 55.95 57.98 1ic5 s SER 23 Cb -0.20 -2.32 -0.04 0.00 0.21 0.00 0.00 66.02 63.68 1ic5 s SER 23 CO -0.05 -0.10 0.08 -0.69 0.41 0.00 0.00 173.24 172.90 1ic5 s VAL 24 N 1.05 5.01 0.08 3.43 1.01 -0.50 -2.08 120.40 128.40 1ic5 s VAL 24 Ca 0.28 0.03 0.06 0.00 0.00 0.00 0.00 61.98 62.34 1ic5 s VAL 24 Cb -0.16 -3.18 -0.03 0.00 0.00 0.00 0.00 36.38 33.01 1ic5 s VAL 24 CO 0.11 0.58 -0.15 0.42 0.00 0.00 0.00 175.10 176.06 1ic5 s THR 25 N -0.67 1.23 0.00 3.92 -4.23 -0.38 -4.84 115.64 110.67 1ic5 s THR 25 Ca 0.12 -1.41 0.00 0.00 -1.18 0.00 0.00 61.69 59.22 1ic5 s THR 25 Cb -0.12 -1.21 0.00 0.00 1.34 0.00 0.00 72.50 72.51 1ic5 s THR 25 CO 0.02 -0.23 0.00 0.61 -0.54 0.00 0.00 174.62 174.48 1ic5 n GLY 26 N 1.13 2.57 3.46 3.99 0.00 -1.26 0.50 105.19 115.58 1ic5 n GLY 26 Ca -0.20 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.71 1ic5 n GLY 26 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ic5 s ASP 27 N -1.27 -0.50 0.49 1.61 -1.08 -1.26 -4.54 116.67 110.12 1ic5 s ASP 27 Ca 0.00 -0.01 -0.19 0.00 -0.52 0.00 0.00 52.55 51.83 1ic5 s ASP 27 Cb 0.00 0.53 -0.08 0.00 -1.46 0.00 0.00 42.92 41.91 1ic5 s ASP 27 CO 0.00 -0.86 1.00 -0.55 0.52 0.00 0.00 175.17 175.28 1ic5 s SER 28 N -2.67 6.50 0.54 -0.34 0.15 -1.26 -4.93 113.70 111.69 1ic5 s SER 28 Ca 0.03 1.77 0.31 0.00 0.70 0.00 0.00 55.95 58.76 1ic5 s SER 28 Cb -0.01 -2.54 1.49 0.00 -1.71 0.00 0.00 66.02 63.25 1ic5 s SER 28 CO -0.11 -0.67 2.06 0.16 1.20 0.00 0.00 173.24 175.87 1ic5 h ILE 29 N 1.39 0.32 0.00 6.45 3.07 -1.91 -2.45 117.51 124.37 1ic5 h ILE 29 Ca -0.48 -0.54 0.00 0.00 1.55 0.00 0.00 64.86 65.38 1ic5 h ILE 29 Cb 1.20 1.41 0.00 0.00 -0.27 0.00 0.00 36.82 39.16 1ic5 h ILE 29 CO 0.60 0.09 0.00 0.35 -1.05 0.00 0.00 178.15 178.13 1ic5 n THR 30 N -3.36 0.61 -0.51 0.16 -2.24 -1.26 -2.40 114.28 105.28 1ic5 n THR 30 Ca -0.01 0.15 0.10 0.00 -2.27 0.00 0.00 64.05 62.03 1ic5 n THR 30 Cb 0.26 -0.97 0.34 0.00 -2.10 0.00 0.00 70.33 67.86 1ic5 n THR 30 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1ic5 n SER 31 N -1.24 4.37 -2.87 3.42 7.64 -0.92 -4.98 113.62 119.04 1ic5 n SER 31 Ca 0.06 -2.24 -0.12 0.00 1.01 0.00 0.00 58.87 57.58 1ic5 n SER 31 Cb 0.08 -0.53 -0.01 0.00 -1.01 0.00 0.00 64.21 62.74 1ic5 n SER 31 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1ic5 n ASP 32 N 1.34 -1.72 -4.75 6.43 -0.08 -1.01 -5.07 116.55 111.69 1ic5 n ASP 32 Ca 0.25 -2.73 -0.33 0.00 -1.51 0.00 0.00 54.79 50.47 1ic5 n ASP 32 Cb 0.76 3.03 -0.08 0.00 2.34 0.00 0.00 41.12 47.17 1ic5 n ASP 32 CO 0.00 0.00 0.00 -0.31 0.12 0.00 0.00 177.20 177.01 1ic5 s TYR 33 N -2.71 3.21 0.02 -0.67 1.51 -1.26 -4.59 117.35 112.85 1ic5 s TYR 33 Ca 0.23 0.16 0.05 0.00 -1.01 0.00 0.00 57.07 56.49 1ic5 s TYR 33 Cb -0.03 -1.71 -0.02 0.00 -0.11 0.00 0.00 41.96 40.10 1ic5 s TYR 33 CO 0.17 0.52 -0.14 -1.58 -1.11 0.00 0.00 175.55 173.40 1ic5 s TRP 34 N -1.17 1.26 0.26 2.71 0.52 -1.06 -1.71 118.94 119.75 1ic5 s TRP 34 Ca 0.22 -0.30 -0.01 0.00 0.02 0.00 0.00 56.10 56.04 1ic5 s TRP 34 Cb -0.12 -0.78 -0.03 0.00 -1.15 0.00 0.00 33.47 31.40 1ic5 s TRP 34 CO 0.13 0.01 0.25 -1.54 0.02 0.00 0.00 176.95 175.82 1ic5 s SER 35 N -0.75 0.60 -0.07 2.95 1.04 0.35 -1.00 113.70 116.82 1ic5 s SER 35 Ca 0.04 -1.44 0.02 0.00 0.48 0.00 0.00 55.95 55.05 1ic5 s SER 35 Cb -0.07 0.48 0.01 0.00 0.10 0.00 0.00 66.02 66.55 1ic5 s SER 35 CO 0.00 -0.99 -0.13 0.26 0.98 0.00 0.00 173.24 173.36 1ic5 s TRP 36 N -3.83 1.58 0.06 5.02 0.52 -0.59 -2.02 118.94 119.68 1ic5 s TRP 36 Ca 0.36 -0.61 0.06 0.00 0.02 0.00 0.00 56.10 55.93 1ic5 s TRP 36 Cb 0.04 -1.15 -0.03 0.00 -1.15 0.00 0.00 33.47 31.18 1ic5 s TRP 36 CO 0.17 -0.31 -0.16 0.42 0.02 0.00 0.00 176.95 177.08 1ic5 s ILE 37 N 0.71 1.27 0.05 2.03 1.09 -0.34 -0.91 121.20 125.09 1ic5 s ILE 37 Ca -0.14 -1.17 0.04 0.00 -1.10 0.00 0.00 60.65 58.28 1ic5 s ILE 37 Cb -0.16 -1.16 -0.02 0.00 -1.06 0.00 0.00 42.46 40.06 1ic5 s ILE 37 CO 0.03 -0.03 -0.11 0.00 -0.10 0.00 0.00 174.94 174.73 1ic5 s ARG 38 N -1.39 0.72 -0.21 2.79 1.70 -0.57 0.57 118.95 122.56 1ic5 s ARG 38 Ca 0.02 -0.79 -0.01 0.00 -0.47 0.00 0.00 55.73 54.48 1ic5 s ARG 38 Cb -0.09 -0.65 0.01 0.00 -0.57 0.00 0.00 34.95 33.66 1ic5 s ARG 38 CO 0.02 0.15 -0.12 0.21 -1.08 0.00 0.00 175.30 174.48 1ic5 s LYS 39 N -1.44 3.05 0.61 3.89 2.20 0.14 -0.90 119.74 127.29 1ic5 s LYS 39 Ca -0.04 -0.81 -0.13 0.00 -0.36 0.00 0.00 55.97 54.63 1ic5 s LYS 39 Cb -0.09 -2.81 -0.04 0.00 -1.51 0.00 0.00 37.83 33.39 1ic5 s LYS 39 CO 0.01 -0.26 1.03 -0.06 -0.36 0.00 0.00 175.35 175.72 1ic5 s PHE 40 N 1.35 3.34 0.61 4.03 0.08 0.16 -1.14 117.98 126.41 1ic5 s PHE 40 Ca 0.04 1.41 0.27 0.00 0.12 0.00 0.00 56.93 58.76 1ic5 s PHE 40 Cb -0.14 -2.83 1.31 0.00 -0.57 0.00 0.00 43.02 40.78 1ic5 s PHE 40 CO -0.08 -0.83 1.73 -1.35 -0.10 0.00 0.00 175.22 174.60 1ic5 h PRO 41 N 0.02 0.00 -1.93 0.24 0.11 -1.87 -2.79 132.00 125.78 1ic5 h PRO 41 Ca -0.45 0.00 -0.73 0.00 0.11 0.00 0.00 66.00 64.93 1ic5 h PRO 41 Cb 1.20 0.00 -0.30 0.00 0.11 0.00 0.00 31.00 32.00 1ic5 h PRO 41 CO 0.60 0.00 0.65 0.41 -0.21 0.00 0.00 178.00 179.45 1ic5 n GLY 42 N -1.49 5.67 2.40 -0.55 0.00 -1.26 -4.79 105.19 105.18 1ic5 n GLY 42 Ca 0.08 -2.56 -0.14 0.00 0.00 0.00 0.00 46.02 43.41 1ic5 n GLY 42 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ic5 n ASN 43 N -0.48 -4.65 -4.71 1.61 3.02 -1.06 -4.98 115.26 104.00 1ic5 n ASN 43 Ca 0.50 0.32 -0.36 0.00 -0.03 0.00 0.00 54.58 55.01 1ic5 n ASN 43 Cb 0.33 -3.40 -0.08 0.00 -0.61 0.00 0.00 39.78 36.01 1ic5 n ASN 43 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 1ic5 s ARG 44 N -3.27 4.20 0.04 3.52 3.52 -1.18 -4.91 118.95 120.86 1ic5 s ARG 44 Ca 0.00 -0.06 0.02 0.00 -0.13 0.00 0.00 55.73 55.56 1ic5 s ARG 44 Cb 0.00 -3.45 -0.04 0.00 -1.56 0.00 0.00 34.95 29.90 1ic5 s ARG 44 CO 0.00 0.20 0.05 -0.51 -0.81 0.00 0.00 175.30 174.23 1ic5 s LEU 45 N 0.62 3.70 -0.08 -0.88 2.01 -1.26 0.39 118.68 123.18 1ic5 s LEU 45 Ca 0.12 0.00 -0.03 0.00 0.01 0.00 0.00 54.13 54.23 1ic5 s LEU 45 Cb -0.13 -2.27 0.05 0.00 0.01 0.00 0.00 46.19 43.85 1ic5 s LEU 45 CO 0.02 0.22 0.16 -0.70 1.01 0.00 0.00 176.35 177.07 1ic5 s GLU 46 N -2.02 0.05 -0.25 1.70 2.12 -0.07 -4.99 118.70 115.23 1ic5 s GLU 46 Ca 0.25 0.53 -0.28 0.00 0.36 0.00 0.00 54.97 55.83 1ic5 s GLU 46 Cb -0.12 -0.25 0.01 0.00 0.26 0.00 0.00 34.13 34.03 1ic5 s GLU 46 CO 0.17 -0.28 1.00 -0.47 -0.54 0.00 0.00 175.26 175.14 1ic5 s TYR 47 N 2.07 3.29 -0.08 5.30 5.04 -1.26 -1.52 117.35 130.19 1ic5 s TYR 47 Ca 0.01 1.34 -0.15 0.00 -2.44 0.00 0.00 57.07 55.82 1ic5 s TYR 47 Cb -0.12 -3.31 -0.29 0.00 0.35 0.00 0.00 41.96 38.59 1ic5 s TYR 47 CO -0.06 -0.52 0.62 0.52 -1.34 0.00 0.00 175.55 174.77 1ic5 h MET 48 N 7.64 0.29 0.00 4.97 2.86 -1.39 -3.42 114.93 125.88 1ic5 h MET 48 Ca -0.20 -0.50 0.00 0.00 -2.06 0.00 0.00 59.70 56.94 1ic5 h MET 48 Cb 1.07 0.19 0.00 0.00 0.06 0.00 0.00 31.60 32.91 1ic5 h MET 48 CO 0.97 1.24 0.00 0.41 1.06 0.00 0.00 176.91 180.59 1ic5 n GLY 49 N 1.77 -0.62 3.22 8.32 0.00 -1.20 -0.62 105.19 116.05 1ic5 n GLY 49 Ca -0.24 -1.20 -0.09 0.00 0.00 0.00 0.00 46.02 44.49 1ic5 n GLY 49 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1ic5 s TYR 50 N -2.00 0.14 -0.09 1.61 -0.85 -0.49 -1.54 117.35 114.14 1ic5 s TYR 50 Ca 0.00 -0.56 -0.01 0.00 -0.52 0.00 0.00 57.07 55.98 1ic5 s TYR 50 Cb 0.00 -0.04 -0.03 0.00 0.38 0.00 0.00 41.96 42.27 1ic5 s TYR 50 CO 0.00 -0.56 -0.05 0.08 -1.52 0.00 0.00 175.55 173.50 1ic5 s VAL 51 N -3.86 3.82 0.55 -3.49 1.01 -0.17 -2.18 120.40 116.08 1ic5 s VAL 51 Ca 0.05 -0.42 0.07 0.00 0.00 0.00 0.00 61.98 61.68 1ic5 s VAL 51 Cb 0.05 -2.60 0.07 0.00 0.00 0.00 0.00 36.38 33.89 1ic5 s VAL 51 CO -0.11 0.57 0.55 -1.54 0.00 0.00 0.00 175.10 174.58 1ic5 n SER 52 N 2.55 2.46 0.19 3.32 3.41 -0.12 -2.57 113.62 122.86 1ic5 n SER 52 Ca -0.18 -2.72 0.03 0.00 -0.26 0.00 0.00 58.87 55.74 1ic5 n SER 52 Cb 0.53 -0.19 0.36 0.00 -0.26 0.00 0.00 64.21 64.65 1ic5 n SER 52 CO 0.00 0.00 0.00 0.10 -0.16 0.00 0.00 175.04 174.98 1ic5 h TYR 53 N 0.44 0.00 0.00 7.33 -0.00 -1.87 -0.90 116.97 121.97 1ic5 h TYR 53 Ca -0.31 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.42 1ic5 h TYR 53 Cb 1.23 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.96 1ic5 h TYR 53 CO 0.00 0.38 0.00 -1.13 -0.00 0.00 0.00 178.16 177.41 1ic5 n SER 54 N -4.00 0.00 0.00 0.10 3.41 -1.26 -4.89 113.62 106.99 1ic5 n SER 54 Ca -0.02 0.02 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1ic5 n SER 54 Cb 0.43 -0.32 0.00 0.00 -0.26 0.00 0.00 64.21 64.06 1ic5 n SER 54 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ic5 n GLY 55 N 0.85 0.52 3.77 5.00 0.00 -0.34 -5.06 105.19 109.92 1ic5 n GLY 55 Ca 0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 1ic5 n GLY 55 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ic5 s SER 56 N -1.95 5.53 0.09 1.61 1.04 -1.26 -4.76 113.70 114.00 1ic5 s SER 56 Ca 0.00 2.21 0.07 0.00 0.48 0.00 0.00 55.95 58.71 1ic5 s SER 56 Cb 0.00 -2.58 -0.03 0.00 0.10 0.00 0.00 66.02 63.50 1ic5 s SER 56 CO 0.00 -1.35 -0.18 0.42 0.98 0.00 0.00 173.24 173.11 1ic5 s THR 57 N -1.78 1.47 -0.14 2.02 -4.23 -1.26 -0.95 115.64 110.77 1ic5 s THR 57 Ca 0.73 -1.46 -0.02 0.00 -1.18 0.00 0.00 61.69 59.77 1ic5 s THR 57 Cb -0.25 -1.37 0.04 0.00 1.34 0.00 0.00 72.50 72.26 1ic5 s THR 57 CO 0.30 -0.14 -0.00 -0.31 -0.54 0.00 0.00 174.62 173.92 1ic5 s TYR 58 N -1.25 1.09 0.00 3.99 1.51 -0.93 -5.00 117.35 116.76 1ic5 s TYR 58 Ca 0.03 -0.67 0.07 0.00 -1.01 0.00 0.00 57.07 55.49 1ic5 s TYR 58 Cb -0.10 -1.03 -0.03 0.00 -0.11 0.00 0.00 41.96 40.70 1ic5 s TYR 58 CO 0.03 -0.51 -0.21 0.71 -1.11 0.00 0.00 175.55 174.46 1ic5 s TYR 59 N 1.84 2.49 0.14 2.71 2.02 -1.26 -1.39 117.35 123.89 1ic5 s TYR 59 Ca 0.02 -0.31 -0.30 0.00 -0.37 0.00 0.00 57.07 56.10 1ic5 s TYR 59 Cb -0.15 -1.50 -0.07 0.00 -0.40 0.00 0.00 41.96 39.84 1ic5 s TYR 59 CO -0.07 0.13 1.24 1.21 -1.57 0.00 0.00 175.55 176.50 1ic5 s ASN 60 N -1.01 7.02 0.46 2.29 3.84 0.20 -4.91 114.94 122.82 1ic5 s ASN 60 Ca 0.12 2.21 0.31 0.00 0.21 0.00 0.00 52.86 55.71 1ic5 s ASN 60 Cb -0.10 -2.60 1.46 0.00 -0.55 0.00 0.00 41.25 39.46 1ic5 s ASN 60 CO 0.02 -0.47 1.94 -0.65 -2.79 0.00 0.00 177.10 175.15 1ic5 h PRO 61 N 5.95 0.00 0.00 0.43 0.11 -1.95 -1.29 132.00 135.25 1ic5 h PRO 61 Ca -0.43 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.67 1ic5 h PRO 61 Cb 1.21 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 1ic5 h PRO 61 CO 0.79 0.00 -0.05 0.66 -0.21 0.00 0.00 178.00 179.19 1ic5 h SER 62 N 0.00 0.00 0.95 -2.05 4.64 -1.97 -0.87 113.55 114.25 1ic5 h SER 62 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ic5 h SER 62 Cb 0.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 1ic5 h SER 62 CO 0.00 0.05 0.00 0.18 -0.87 0.00 0.00 176.83 176.19 1ic5 n LEU 63 N -3.45 0.00 -2.83 5.97 4.32 -0.49 -4.91 117.00 115.61 1ic5 n LEU 63 Ca -0.02 0.49 -0.21 0.00 -0.02 0.00 0.00 56.01 56.26 1ic5 n LEU 63 Cb 0.17 -0.49 0.01 0.00 -1.62 0.00 0.00 43.42 41.49 1ic5 n LEU 63 CO 0.26 -0.02 -0.10 0.29 -1.22 0.00 0.00 177.39 176.60 1ic5 n LYS 64 N -1.49 -3.44 -1.42 3.23 5.02 -0.33 -1.61 118.16 118.12 1ic5 n LYS 64 Ca 0.07 0.82 -0.09 0.00 -2.02 0.00 0.00 58.31 57.09 1ic5 n LYS 64 Cb 0.32 -5.57 -0.03 0.00 -0.02 0.00 0.00 35.03 29.73 1ic5 n LYS 64 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1ic5 n SER 65 N -2.25 -3.92 -0.95 4.39 7.64 -1.26 -4.87 113.62 112.39 1ic5 n SER 65 Ca -0.14 0.18 0.11 0.00 1.01 0.00 0.00 58.87 60.04 1ic5 n SER 65 Cb 0.62 -2.39 0.26 0.00 -1.01 0.00 0.00 64.21 61.70 1ic5 n SER 65 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1ic5 n ARG 66 N -2.59 2.25 -4.06 1.43 1.74 -0.63 -4.95 116.66 109.85 1ic5 n ARG 66 Ca -0.09 -1.88 -0.27 0.00 -0.77 0.00 0.00 57.85 54.84 1ic5 n ARG 66 Cb 0.35 -1.47 -0.05 0.00 -1.02 0.00 0.00 32.46 30.26 1ic5 n ARG 66 CO 0.00 0.00 0.00 -1.50 -1.52 0.00 0.00 177.63 174.61 1ic5 s ILE 67 N -1.60 4.60 -0.07 0.55 2.07 -1.26 -0.47 121.20 125.03 1ic5 s ILE 67 Ca 0.36 -0.98 -0.07 0.00 -1.41 0.00 0.00 60.65 58.55 1ic5 s ILE 67 Cb 0.21 -3.33 0.02 0.00 0.13 0.00 0.00 42.46 39.48 1ic5 s ILE 67 CO 0.30 -0.07 0.20 -0.55 -1.91 0.00 0.00 174.94 172.90 1ic5 s SER 68 N -3.02 -0.20 -0.13 4.50 0.15 -0.10 -4.99 113.70 109.91 1ic5 s SER 68 Ca 0.31 0.40 0.01 0.00 0.70 0.00 0.00 55.95 57.37 1ic5 s SER 68 Cb -0.10 0.40 0.02 0.00 -1.71 0.00 0.00 66.02 64.62 1ic5 s SER 68 CO 0.24 -0.07 -0.15 -0.63 1.20 0.00 0.00 173.24 173.82 1ic5 s ILE 69 N 0.13 1.58 0.22 6.45 1.01 -1.26 -0.52 121.20 128.82 1ic5 s ILE 69 Ca -0.00 -0.67 0.01 0.00 0.00 0.00 0.00 60.65 59.99 1ic5 s ILE 69 Cb -0.02 -1.45 -0.05 0.00 0.01 0.00 0.00 42.46 40.95 1ic5 s ILE 69 CO 0.00 0.46 0.07 0.42 0.00 0.00 0.00 174.94 175.89 1ic5 s THR 70 N 1.15 0.51 0.05 2.92 -4.23 -1.15 -4.95 115.64 109.94 1ic5 s THR 70 Ca -0.02 -1.99 -0.04 0.00 -1.18 0.00 0.00 61.69 58.46 1ic5 s THR 70 Cb -0.14 -2.45 -0.02 0.00 1.34 0.00 0.00 72.50 71.22 1ic5 s THR 70 CO -0.05 -0.15 0.05 0.00 -0.54 0.00 0.00 174.62 173.93 1ic5 s ARG 71 N -4.02 0.62 -0.33 3.99 1.70 -1.26 -0.09 118.95 119.56 1ic5 s ARG 71 Ca 0.34 -0.96 0.02 0.00 -0.47 0.00 0.00 55.73 54.65 1ic5 s ARG 71 Cb 0.07 0.23 0.10 0.00 -0.57 0.00 0.00 34.95 34.79 1ic5 s ARG 71 CO 0.10 -0.15 0.08 0.34 -1.08 0.00 0.00 175.30 174.59 1ic5 s ASP 72 N -2.52 4.44 0.41 -2.89 -1.08 -0.42 -4.99 116.67 109.61 1ic5 s ASP 72 Ca 0.01 -1.98 0.13 0.00 -0.52 0.00 0.00 52.55 50.19 1ic5 s ASP 72 Cb 0.03 -1.31 0.86 0.00 -1.46 0.00 0.00 42.92 41.04 1ic5 s ASP 72 CO -0.08 -0.39 1.91 0.74 0.52 0.00 0.00 175.17 177.88 1ic5 h THR 73 N 6.51 1.19 0.00 1.71 2.02 -1.97 -0.19 112.91 122.18 1ic5 h THR 73 Ca -0.08 -0.91 -0.05 0.00 0.77 0.00 0.00 66.41 66.15 1ic5 h THR 73 Cb 1.01 1.46 -0.01 0.00 -1.74 0.00 0.00 68.15 68.88 1ic5 h THR 73 CO 0.50 0.26 -0.34 0.77 0.37 0.00 0.00 175.52 177.08 1ic5 h SER 74 N 0.03 0.00 0.30 4.18 4.64 -1.94 -3.05 113.55 117.70 1ic5 h SER 74 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ic5 h SER 74 Cb 0.46 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 1ic5 h SER 74 CO 0.03 0.23 -0.84 0.29 -0.87 0.00 0.00 176.83 175.67 1ic5 n LYS 75 N -3.11 0.09 -3.26 4.77 5.02 -0.97 -4.98 118.16 115.73 1ic5 n LYS 75 Ca 0.02 -0.00 -0.17 0.00 -2.02 0.00 0.00 58.31 56.14 1ic5 n LYS 75 Cb 0.63 -1.53 0.06 0.00 -0.02 0.00 0.00 35.03 34.17 1ic5 n LYS 75 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1ic5 n ASN 76 N -1.64 -4.48 -4.39 4.39 5.15 -0.12 -4.85 115.26 109.32 1ic5 n ASN 76 Ca 0.04 -0.42 -0.19 0.00 -0.60 0.00 0.00 54.58 53.41 1ic5 n ASN 76 Cb 0.36 -3.91 -0.10 0.00 -0.53 0.00 0.00 39.78 35.60 1ic5 n ASN 76 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 1ic5 s GLN 77 N -5.74 1.47 0.15 1.20 -0.21 -1.09 -1.41 119.66 114.03 1ic5 s GLN 77 Ca 0.33 -1.76 -0.03 0.00 0.02 0.00 0.00 55.36 53.92 1ic5 s GLN 77 Cb -0.15 -0.85 -0.03 0.00 1.00 0.00 0.00 33.01 32.99 1ic5 s GLN 77 CO 0.55 -0.07 0.13 1.52 -2.12 0.00 0.00 175.29 175.30 1ic5 s TYR 78 N -3.26 0.80 0.06 0.91 -0.85 -0.53 -1.30 117.35 113.17 1ic5 s TYR 78 Ca 0.30 -1.14 0.04 0.00 -0.52 0.00 0.00 57.07 55.75 1ic5 s TYR 78 Cb 0.06 -0.38 -0.03 0.00 0.38 0.00 0.00 41.96 41.99 1ic5 s TYR 78 CO 0.11 -0.60 -0.12 0.71 -1.52 0.00 0.00 175.55 174.13 1ic5 s TYR 79 N -4.05 1.02 -0.15 -3.49 2.02 0.87 -0.51 117.35 113.06 1ic5 s TYR 79 Ca 0.25 -0.46 -0.00 0.00 -0.37 0.00 0.00 57.07 56.49 1ic5 s TYR 79 Cb 0.06 -0.58 -0.01 0.00 -0.40 0.00 0.00 41.96 41.03 1ic5 s TYR 79 CO 0.04 0.01 -0.13 -1.17 -1.57 0.00 0.00 175.55 172.72 1ic5 s LEU 80 N -1.63 2.63 -0.10 -1.29 2.96 -0.83 -2.92 118.68 117.50 1ic5 s LEU 80 Ca -0.05 -0.40 0.02 0.00 -0.22 0.00 0.00 54.13 53.49 1ic5 s LEU 80 Cb -0.10 -1.61 -0.01 0.00 0.50 0.00 0.00 46.19 44.97 1ic5 s LEU 80 CO 0.02 0.11 -0.17 -1.81 -1.32 0.00 0.00 176.35 173.17 1ic5 s ASP 81 N 0.70 3.74 -0.22 3.68 1.01 0.32 -0.70 116.67 125.20 1ic5 s ASP 81 Ca -0.06 -0.37 -0.01 0.00 0.71 0.00 0.00 52.55 52.82 1ic5 s ASP 81 Cb -0.15 -1.36 0.06 0.00 1.01 0.00 0.00 42.92 42.48 1ic5 s ASP 81 CO 0.02 0.20 -0.00 -0.22 0.21 0.00 0.00 175.17 175.38 1ic5 s LEU 82 N 0.10 1.95 0.60 1.23 2.96 0.85 -0.92 118.68 125.45 1ic5 s LEU 82 Ca -0.08 -1.06 -0.11 0.00 -0.22 0.00 0.00 54.13 52.67 1ic5 s LEU 82 Cb -0.15 -0.90 -0.04 0.00 0.50 0.00 0.00 46.19 45.60 1ic5 s LEU 82 CO 0.05 -0.28 1.00 0.20 -1.32 0.00 0.00 176.35 176.00 1ic5 s ASN 83 N 1.61 6.25 -1.37 3.68 0.01 0.38 -1.22 114.94 124.28 1ic5 s ASN 83 Ca -0.03 1.37 -0.11 0.00 -0.71 0.00 0.00 52.86 53.38 1ic5 s ASN 83 Cb -0.18 -2.45 0.01 0.00 0.41 0.00 0.00 41.25 39.05 1ic5 s ASN 83 CO -0.08 -0.82 0.39 -1.20 -1.51 0.00 0.00 177.10 173.88 1ic5 n SER 84 N -2.64 -1.46 -4.76 -1.22 7.64 -0.99 -4.90 113.62 105.28 1ic5 n SER 84 Ca 0.05 -1.17 -0.34 0.00 1.01 0.00 0.00 58.87 58.42 1ic5 n SER 84 Cb 0.54 -2.27 0.04 0.00 -1.01 0.00 0.00 64.21 61.50 1ic5 n SER 84 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 1ic5 s VAL 85 N -3.94 3.01 0.45 0.44 -7.23 -0.78 -4.60 120.40 107.76 1ic5 s VAL 85 Ca 0.18 0.55 0.01 0.00 -1.81 0.00 0.00 61.98 60.91 1ic5 s VAL 85 Cb -0.09 -3.12 -0.00 0.00 0.56 0.00 0.00 36.38 33.73 1ic5 s VAL 85 CO 0.94 -0.22 0.05 0.35 -0.31 0.00 0.00 175.10 175.91 1ic5 n THR 86 N -1.99 0.00 0.28 5.32 -2.24 -1.26 0.08 114.28 114.47 1ic5 n THR 86 Ca 0.12 -2.26 0.13 0.00 -2.27 0.00 0.00 64.05 59.76 1ic5 n THR 86 Cb 0.51 0.58 0.79 0.00 -2.10 0.00 0.00 70.33 70.11 1ic5 n THR 86 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 1ic5 h THR 87 N 1.38 0.61 0.00 4.28 1.35 -1.97 0.33 112.91 118.89 1ic5 h THR 87 Ca -0.37 -0.27 0.00 0.00 -0.55 0.00 0.00 66.41 65.22 1ic5 h THR 87 Cb 1.19 1.17 0.00 0.00 -1.73 0.00 0.00 68.15 68.78 1ic5 h THR 87 CO 0.60 0.06 0.00 -0.62 -0.25 0.00 0.00 175.52 175.31 1ic5 n GLU 88 N -3.83 0.13 -0.16 4.72 4.71 -1.26 -1.94 120.64 123.01 1ic5 n GLU 88 Ca -0.02 0.56 0.09 0.00 -0.01 0.00 0.00 57.16 57.78 1ic5 n GLU 88 Cb 0.16 -1.86 0.28 0.00 -1.01 0.00 0.00 31.44 29.01 1ic5 n GLU 88 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1ic5 n ASP 89 N -2.12 2.26 -4.66 1.62 8.00 0.11 -4.89 116.55 116.88 1ic5 n ASP 89 Ca -0.00 -1.87 -0.42 0.00 0.71 0.00 0.00 54.79 53.20 1ic5 n ASP 89 Cb 0.08 -0.20 -0.03 0.00 -0.02 0.00 0.00 41.12 40.95 1ic5 n ASP 89 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1ic5 s THR 90 N -1.59 3.53 0.04 -3.53 2.01 -0.82 -4.86 115.64 110.42 1ic5 s THR 90 Ca 0.32 0.64 -0.27 0.00 0.31 0.00 0.00 61.69 62.69 1ic5 s THR 90 Cb 0.18 -3.43 0.10 0.00 0.01 0.00 0.00 72.50 69.35 1ic5 s THR 90 CO 0.25 -0.07 1.22 0.00 -0.69 0.00 0.00 174.62 175.32 1ic5 s ALA 91 N 4.24 -2.19 -0.20 7.40 0.00 -1.03 -4.54 121.76 125.46 1ic5 s ALA 91 Ca 0.75 0.09 -0.07 0.00 0.00 0.00 0.00 51.96 52.74 1ic5 s ALA 91 Cb -0.33 0.74 -0.03 0.00 0.00 0.00 0.00 23.12 23.49 1ic5 s ALA 91 CO 0.31 -1.11 0.05 0.99 0.00 0.00 0.00 175.76 176.00 1ic5 s THR 92 N -2.19 4.44 -0.17 0.00 2.01 -0.29 -1.51 115.64 117.93 1ic5 s THR 92 Ca 0.24 -0.15 -0.08 0.00 0.31 0.00 0.00 61.69 62.01 1ic5 s THR 92 Cb 0.00 -3.02 -0.04 0.00 0.01 0.00 0.00 72.50 69.45 1ic5 s THR 92 CO 0.00 0.42 0.09 -0.31 -0.69 0.00 0.00 174.62 174.13 1ic5 s TYR 93 N 0.81 3.35 0.10 4.92 1.51 0.15 0.24 117.35 128.43 1ic5 s TYR 93 Ca 0.03 0.24 0.09 0.00 -1.01 0.00 0.00 57.07 56.42 1ic5 s TYR 93 Cb -0.14 -2.05 -0.03 0.00 -0.11 0.00 0.00 41.96 39.63 1ic5 s TYR 93 CO 0.02 0.33 -0.24 0.71 -1.11 0.00 0.00 175.55 175.26 1ic5 s TYR 94 N 0.00 2.07 0.06 2.71 1.51 0.19 -1.77 117.35 122.13 1ic5 s TYR 94 Ca 0.08 -0.40 0.01 0.00 -1.01 0.00 0.00 57.07 55.75 1ic5 s TYR 94 Cb -0.12 -1.16 -0.04 0.00 -0.11 0.00 0.00 41.96 40.53 1ic5 s TYR 94 CO 0.00 0.23 0.15 0.00 -1.11 0.00 0.00 175.55 174.83 1ic5 s ALA 96 N -1.44 -1.35 0.79 0.00 0.00 -0.86 -1.34 121.76 117.55 1ic5 s ALA 96 Ca 0.32 0.20 -0.12 0.00 0.00 0.00 0.00 51.96 52.37 1ic5 s ALA 96 Cb -0.13 0.85 0.06 0.00 0.00 0.00 0.00 23.12 23.91 1ic5 s ALA 96 CO 0.25 -0.79 1.12 0.54 0.00 0.00 0.00 175.76 176.88 1ic5 s ASN 97 N -2.80 4.65 0.24 0.00 4.22 -0.34 -0.49 114.94 120.42 1ic5 s ASN 97 Ca 0.04 1.09 -0.05 0.00 -2.14 0.00 0.00 52.86 51.80 1ic5 s ASN 97 Cb -0.01 -1.78 0.41 0.00 1.28 0.00 0.00 41.25 41.15 1ic5 s ASN 97 CO -0.09 -1.84 1.78 -0.25 -2.04 0.00 0.00 177.10 174.65 1ic5 h TRP 98 N -1.01 0.70 -0.00 1.54 7.01 -1.64 -2.24 115.95 120.31 1ic5 h TRP 98 Ca -0.47 0.03 0.00 0.00 2.11 0.00 0.00 58.89 60.56 1ic5 h TRP 98 Cb 1.29 -0.20 0.00 0.00 -2.10 0.00 0.00 29.16 28.15 1ic5 h TRP 98 CO 0.42 0.22 -0.07 0.00 -2.79 0.00 0.00 178.44 176.22 1ic5 n ALA 99 N -2.42 2.59 -0.43 2.65 0.00 -1.26 -4.92 120.51 116.73 1ic5 n ALA 99 Ca 0.13 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1ic5 n ALA 99 Cb 0.33 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.36 1ic5 n ALA 99 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ic5 n GLY 100 N 1.37 0.77 0.10 0.00 0.00 -0.84 -4.96 105.19 101.63 1ic5 n GLY 100 Ca 0.11 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.99 1ic5 n GLY 100 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1ic5 h ASP 101 N 0.00 0.22 -3.69 1.61 5.19 -1.92 -3.44 116.42 114.39 1ic5 h ASP 101 Ca 0.00 -0.59 -0.68 0.00 -0.62 0.00 0.00 57.03 55.14 1ic5 h ASP 101 Cb 0.00 -0.06 -0.27 0.00 0.18 0.00 0.00 39.33 39.18 1ic5 h ASP 101 CO 0.00 0.78 -0.80 -0.31 -3.12 0.00 0.00 179.24 175.79 1ic5 s TYR 102 N -3.84 2.69 0.10 4.55 1.51 -1.26 -5.00 117.35 116.09 1ic5 s TYR 102 Ca -0.15 -0.52 0.07 0.00 -1.01 0.00 0.00 57.07 55.45 1ic5 s TYR 102 Cb 0.03 -1.72 -0.03 0.00 -0.11 0.00 0.00 41.96 40.12 1ic5 s TYR 102 CO 0.73 -0.09 -0.17 -1.58 -1.11 0.00 0.00 175.55 173.33 1ic5 s TRP 103 N -0.11 1.48 0.14 2.71 0.52 -1.26 -1.19 118.94 121.23 1ic5 s TRP 103 Ca -0.03 -0.46 -0.02 0.00 0.02 0.00 0.00 56.10 55.61 1ic5 s TRP 103 Cb -0.14 -0.81 0.03 0.00 -1.15 0.00 0.00 33.47 31.41 1ic5 s TRP 103 CO 0.04 0.14 0.20 0.41 0.02 0.00 0.00 176.95 177.75 1ic5 n GLY 104 N 1.03 -0.87 0.20 0.98 0.00 -0.45 -4.58 105.19 101.50 1ic5 n GLY 104 Ca -0.19 -1.72 0.12 0.00 0.00 0.00 0.00 46.02 44.23 1ic5 n GLY 104 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 1ic5 h GLN 105 N 0.00 0.00 0.00 1.61 3.07 -1.90 -3.45 115.11 114.44 1ic5 h GLN 105 Ca -0.06 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.68 1ic5 h GLN 105 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.74 1ic5 h GLN 105 CO 0.05 0.00 0.00 0.41 0.09 0.00 0.00 178.83 179.38 1ic5 n GLY 106 N 1.07 0.59 2.79 0.06 0.00 -1.26 -5.05 105.19 103.39 1ic5 n GLY 106 Ca 0.04 -1.49 -0.17 0.00 0.00 0.00 0.00 46.02 44.40 1ic5 n GLY 106 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1ic5 s THR 107 N -1.66 -0.13 -0.26 2.61 -1.32 -0.73 -4.92 115.64 109.23 1ic5 s THR 107 Ca 0.00 0.32 -0.27 0.00 -1.21 0.00 0.00 61.69 60.53 1ic5 s THR 107 Cb 0.00 -0.20 0.00 0.00 -1.51 0.00 0.00 72.50 70.80 1ic5 s THR 107 CO 0.00 0.13 0.94 -0.22 -2.21 0.00 0.00 174.62 173.26 1ic5 s LEU 108 N 1.80 4.07 -0.16 9.08 2.96 -1.26 -0.67 118.68 134.49 1ic5 s LEU 108 Ca -0.01 1.13 -0.03 0.00 -0.22 0.00 0.00 54.13 55.00 1ic5 s LEU 108 Cb -0.12 -3.36 -0.02 0.00 0.50 0.00 0.00 46.19 43.18 1ic5 s LEU 108 CO -0.04 -0.64 -0.06 -0.69 -1.32 0.00 0.00 176.35 173.59 1ic5 s VAL 109 N 3.11 3.56 -0.10 1.68 1.01 -0.57 -4.65 120.40 124.44 1ic5 s VAL 109 Ca 0.40 -0.47 0.00 0.00 0.00 0.00 0.00 61.98 61.91 1ic5 s VAL 109 Cb -0.15 -2.56 -0.02 0.00 0.00 0.00 0.00 36.38 33.66 1ic5 s VAL 109 CO 0.08 0.49 -0.10 -0.89 0.00 0.00 0.00 175.10 174.68 1ic5 s THR 110 N 0.56 3.35 -0.22 3.92 2.01 0.70 -2.45 115.64 123.51 1ic5 s THR 110 Ca -0.05 -0.58 -0.07 0.00 0.31 0.00 0.00 61.69 61.31 1ic5 s THR 110 Cb -0.15 -2.39 -0.03 0.00 0.01 0.00 0.00 72.50 69.94 1ic5 s THR 110 CO 0.03 0.55 0.06 -0.69 -0.69 0.00 0.00 174.62 173.87 1ic5 s VAL 111 N -0.12 4.40 0.12 3.82 1.01 -1.26 -1.76 120.40 126.60 1ic5 s VAL 111 Ca -0.00 -0.15 -0.23 0.00 0.00 0.00 0.00 61.98 61.59 1ic5 s VAL 111 Cb -0.13 -3.02 0.07 0.00 0.00 0.00 0.00 36.38 33.29 1ic5 s VAL 111 CO 0.03 0.39 0.58 -0.94 0.00 0.00 0.00 175.10 175.16 1ic5 s SER 112 N 1.15 -0.54 -0.46 3.32 1.04 0.35 -4.64 113.70 113.92 1ic5 s SER 112 Ca 0.04 0.07 -0.27 0.00 0.48 0.00 0.00 55.95 56.27 1ic5 s SER 112 Cb -0.14 0.57 -0.08 0.00 0.10 0.00 0.00 66.02 66.47 1ic5 s SER 112 CO 0.03 -0.90 2.39 0.00 0.98 0.00 0.00 173.24 175.74 1ic5 n ALA 113 N -0.15 0.97 -0.39 5.32 0.00 -1.26 -4.33 120.51 120.67 1ic5 n ALA 113 Ca -0.17 -0.70 0.00 0.00 0.00 0.00 0.00 53.44 52.57 1ic5 n ALA 113 Cb 0.64 -3.05 0.00 0.00 0.00 0.00 0.00 19.45 17.04 1ic5 n ALA 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50