#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ic4 s VAL 2 N 0.00 3.00 -0.04 2.53 1.01 -1.26 -4.03 120.40 121.61 1ic4 s VAL 2 Ca 0.00 0.84 0.01 0.00 0.00 0.00 0.00 61.98 62.83 1ic4 s VAL 2 Cb 0.00 -3.54 0.02 0.00 0.00 0.00 0.00 36.38 32.86 1ic4 s VAL 2 CO 0.00 0.14 -0.05 -1.10 0.00 0.00 0.00 175.10 174.09 1ic4 s GLN 3 N -0.34 0.79 0.07 2.72 -0.21 0.38 -4.97 119.66 118.10 1ic4 s GLN 3 Ca 0.57 -0.12 0.10 0.00 0.02 0.00 0.00 55.36 55.93 1ic4 s GLN 3 Cb -0.38 -0.79 -0.03 0.00 1.00 0.00 0.00 33.01 32.80 1ic4 s GLN 3 CO 0.41 -0.05 -0.27 -0.51 -2.12 0.00 0.00 175.29 172.75 1ic4 s LEU 4 N 0.79 2.21 -0.15 2.90 1.43 -1.26 -0.71 118.68 123.89 1ic4 s LEU 4 Ca -0.11 -0.63 -0.07 0.00 -1.03 0.00 0.00 54.13 52.29 1ic4 s LEU 4 Cb -0.13 -1.27 0.06 0.00 0.03 0.00 0.00 46.19 44.88 1ic4 s LEU 4 CO 0.00 0.24 0.35 -1.58 0.23 0.00 0.00 176.35 175.59 1ic4 s GLN 5 N -1.44 0.30 0.38 1.70 -0.44 -0.57 -4.41 119.66 115.17 1ic4 s GLN 5 Ca 0.12 0.74 -0.09 0.00 -2.50 0.00 0.00 55.36 53.63 1ic4 s GLN 5 Cb -0.10 -0.01 -0.06 0.00 -1.64 0.00 0.00 33.01 31.19 1ic4 s GLN 5 CO 0.03 -0.18 0.72 -1.21 0.50 0.00 0.00 175.29 175.15 1ic4 s GLU 6 N 1.60 3.75 -0.11 1.67 8.01 -1.26 -1.00 118.70 131.36 1ic4 s GLU 6 Ca -0.08 0.37 -0.29 0.00 0.01 0.00 0.00 54.97 54.98 1ic4 s GLU 6 Cb -0.10 -2.45 0.07 0.00 -4.31 0.00 0.00 34.13 27.34 1ic4 s GLU 6 CO -0.11 0.02 0.69 -1.54 0.01 0.00 0.00 175.26 174.34 1ic4 s SER 7 N -3.14 -0.68 0.00 -0.19 1.04 -0.57 -4.96 113.70 105.19 1ic4 s SER 7 Ca 0.50 0.92 0.00 0.00 0.48 0.00 0.00 55.95 57.85 1ic4 s SER 7 Cb -0.10 0.80 0.00 0.00 0.10 0.00 0.00 66.02 66.81 1ic4 s SER 7 CO 0.31 -0.51 0.00 0.61 0.98 0.00 0.00 173.24 174.63 1ic4 n GLY 8 N 1.41 -1.04 3.76 7.32 0.00 -1.26 -1.18 105.19 114.20 1ic4 n GLY 8 Ca -0.18 -1.38 -0.37 0.00 0.00 0.00 0.00 46.02 44.09 1ic4 n GLY 8 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ic4 s PRO 9 N -1.98 3.29 -0.00 1.61 0.04 -1.26 -4.93 135.00 131.77 1ic4 s PRO 9 Ca 0.00 1.93 0.17 0.00 0.04 0.00 0.00 61.00 63.15 1ic4 s PRO 9 Cb 0.00 -2.19 -0.20 0.00 0.04 0.00 0.00 34.50 32.15 1ic4 s PRO 9 CO 0.00 -0.98 0.70 -1.13 0.04 0.00 0.00 177.00 175.63 1ic4 n SER 10 N -1.05 0.83 -3.92 6.66 3.41 -1.26 -4.74 113.62 113.55 1ic4 n SER 10 Ca 0.11 -0.79 -0.23 0.00 -0.26 0.00 0.00 58.87 57.69 1ic4 n SER 10 Cb 0.48 1.11 -0.17 0.00 -0.26 0.00 0.00 64.21 65.37 1ic4 n SER 10 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1ic4 s LEU 11 N -3.02 1.30 0.10 1.04 0.20 -1.26 -0.24 118.68 116.80 1ic4 s LEU 11 Ca 0.05 -0.21 0.03 0.00 0.69 0.00 0.00 54.13 54.69 1ic4 s LEU 11 Cb 0.13 -0.65 -0.04 0.00 -0.43 0.00 0.00 46.19 45.20 1ic4 s LEU 11 CO 0.72 -0.06 -0.08 0.68 -0.29 0.00 0.00 176.35 177.32 1ic4 s VAL 12 N 1.15 0.84 0.10 1.68 -7.23 0.05 -4.97 120.40 112.02 1ic4 s VAL 12 Ca -0.07 -1.78 -0.10 0.00 -1.81 0.00 0.00 61.98 58.22 1ic4 s VAL 12 Cb -0.14 -1.51 -0.06 0.00 0.56 0.00 0.00 36.38 35.23 1ic4 s VAL 12 CO -0.01 -0.71 0.43 -0.54 -0.31 0.00 0.00 175.10 173.96 1ic4 s LYS 13 N -3.27 3.79 0.39 4.82 -0.14 -1.26 -0.62 119.74 123.44 1ic4 s LYS 13 Ca 0.09 0.22 -0.27 0.00 -1.36 0.00 0.00 55.97 54.64 1ic4 s LYS 13 Cb 0.01 -2.97 -0.11 0.00 -1.68 0.00 0.00 37.83 33.08 1ic4 s LYS 13 CO -0.02 0.53 1.44 -0.35 -0.76 0.00 0.00 175.35 176.20 1ic4 n PRO 14 N 0.82 2.50 0.00 -1.68 -0.04 -1.26 -2.54 135.00 132.80 1ic4 n PRO 14 Ca -0.07 0.88 0.00 0.00 -0.04 0.00 0.00 63.50 64.27 1ic4 n PRO 14 Cb 0.52 -2.61 0.00 0.00 -0.04 0.00 0.00 33.50 31.38 1ic4 n PRO 14 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1ic4 n SER 15 N 0.37 0.00 -4.18 3.54 7.64 0.34 -4.89 113.62 116.44 1ic4 n SER 15 Ca 0.03 0.00 -0.26 0.00 1.01 0.00 0.00 58.87 59.64 1ic4 n SER 15 Cb 0.39 0.00 0.16 0.00 -1.01 0.00 0.00 64.21 63.75 1ic4 n SER 15 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ic4 n GLN 16 N -2.00 -0.73 -3.58 1.43 10.64 -1.05 -3.88 117.38 118.20 1ic4 n GLN 16 Ca 0.00 -2.34 -0.37 0.00 -1.83 0.00 0.00 57.00 52.46 1ic4 n GLN 16 Cb 0.00 -1.02 -0.09 0.00 -0.86 0.00 0.00 30.24 28.26 1ic4 n GLN 16 CO 0.00 0.00 0.00 0.99 -1.83 0.00 0.00 177.06 176.22 1ic4 s THR 17 N -3.49 5.31 -0.07 -0.39 2.01 -1.26 -0.25 115.64 117.49 1ic4 s THR 17 Ca 0.70 0.31 -0.27 0.00 0.31 0.00 0.00 61.69 62.73 1ic4 s THR 17 Cb -0.03 -3.56 -0.02 0.00 0.01 0.00 0.00 72.50 68.90 1ic4 s THR 17 CO 0.48 0.30 0.89 -0.22 -0.69 0.00 0.00 174.62 175.39 1ic4 s LEU 18 N 1.26 4.29 -0.09 4.42 2.96 -0.02 -4.89 118.68 126.61 1ic4 s LEU 18 Ca 0.10 1.42 0.04 0.00 -0.22 0.00 0.00 54.13 55.47 1ic4 s LEU 18 Cb -0.14 -3.39 0.00 0.00 0.50 0.00 0.00 46.19 43.16 1ic4 s LEU 18 CO 0.06 -0.30 -0.21 -0.44 -1.32 0.00 0.00 176.35 174.15 1ic4 s SER 19 N 1.01 2.76 0.05 3.68 0.01 -1.26 -1.25 113.70 118.69 1ic4 s SER 19 Ca 0.45 -0.49 0.07 0.00 1.31 0.00 0.00 55.95 57.28 1ic4 s SER 19 Cb -0.19 -1.26 -0.02 0.00 0.21 0.00 0.00 66.02 64.76 1ic4 s SER 19 CO 0.20 0.13 -0.19 -0.76 0.41 0.00 0.00 173.24 173.03 1ic4 s LEU 20 N 0.43 2.18 0.10 2.44 1.02 -0.41 -4.55 118.68 119.89 1ic4 s LEU 20 Ca -0.18 -0.51 0.08 0.00 0.02 0.00 0.00 54.13 53.54 1ic4 s LEU 20 Cb -0.17 -0.85 -0.03 0.00 0.02 0.00 0.00 46.19 45.15 1ic4 s LEU 20 CO 0.07 0.11 -0.21 0.28 0.02 0.00 0.00 176.35 176.62 1ic4 s THR 21 N -0.84 1.76 -0.17 5.49 -1.32 -0.33 -1.45 115.64 118.78 1ic4 s THR 21 Ca 0.06 -1.54 0.00 0.00 -1.21 0.00 0.00 61.69 58.99 1ic4 s THR 21 Cb -0.09 -1.59 0.04 0.00 -1.51 0.00 0.00 72.50 69.35 1ic4 s THR 21 CO 0.02 -0.03 -0.08 0.00 -2.21 0.00 0.00 174.62 172.32 1ic4 s SER 23 N 1.55 6.48 -0.11 0.00 0.01 -0.17 -1.96 113.70 119.50 1ic4 s SER 23 Ca 0.01 0.57 -0.00 0.00 1.31 0.00 0.00 55.95 57.83 1ic4 s SER 23 Cb -0.15 -2.16 -0.02 0.00 0.21 0.00 0.00 66.02 63.90 1ic4 s SER 23 CO -0.08 0.24 -0.09 -0.69 0.41 0.00 0.00 173.24 173.03 1ic4 s VAL 24 N -0.29 3.44 -0.03 3.43 1.01 -0.79 -1.51 120.40 125.65 1ic4 s VAL 24 Ca 0.17 -0.54 0.02 0.00 0.00 0.00 0.00 61.98 61.63 1ic4 s VAL 24 Cb -0.13 -2.44 0.01 0.00 0.00 0.00 0.00 36.38 33.81 1ic4 s VAL 24 CO 0.05 0.54 -0.09 0.42 0.00 0.00 0.00 175.10 176.02 1ic4 s THR 25 N -0.07 0.83 0.00 3.92 -4.23 0.11 -4.83 115.64 111.37 1ic4 s THR 25 Ca -0.01 -0.36 0.00 0.00 -1.18 0.00 0.00 61.69 60.14 1ic4 s THR 25 Cb -0.14 -0.75 0.00 0.00 1.34 0.00 0.00 72.50 72.96 1ic4 s THR 25 CO 0.03 0.26 0.00 0.61 -0.54 0.00 0.00 174.62 174.99 1ic4 n GLY 26 N 3.43 1.06 0.00 3.99 0.00 -1.26 0.14 105.19 112.56 1ic4 n GLY 26 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.82 1ic4 n GLY 26 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1ic4 n ASP 27 N 0.00 0.00 -4.76 1.61 2.03 -1.26 -4.39 116.55 109.78 1ic4 n ASP 27 Ca 0.00 0.00 -0.41 0.00 0.52 0.00 0.00 54.79 54.90 1ic4 n ASP 27 Cb 0.00 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.37 1ic4 n ASP 27 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 1ic4 s SER 28 N 0.00 6.94 0.25 1.67 0.15 -1.26 -4.90 113.70 116.55 1ic4 s SER 28 Ca 0.00 2.48 0.08 0.00 0.70 0.00 0.00 55.95 59.21 1ic4 s SER 28 Cb 0.00 -2.63 0.28 0.00 -1.71 0.00 0.00 66.02 61.96 1ic4 s SER 28 CO 0.00 -0.43 1.57 0.16 1.20 0.00 0.00 173.24 175.74 1ic4 h ILE 29 N 3.30 1.43 -2.31 6.45 3.07 -1.91 -3.43 117.51 124.11 1ic4 h ILE 29 Ca -0.47 -2.13 -0.61 0.00 1.55 0.00 0.00 64.86 63.20 1ic4 h ILE 29 Cb 1.22 2.13 0.08 0.00 -0.27 0.00 0.00 36.82 39.97 1ic4 h ILE 29 CO 0.70 0.62 0.51 0.35 -1.05 0.00 0.00 178.15 179.28 1ic4 n THR 30 N -3.81 0.74 0.00 0.16 -2.24 -1.26 -2.51 114.28 105.36 1ic4 n THR 30 Ca -0.02 -0.19 0.00 0.00 -2.27 0.00 0.00 64.05 61.58 1ic4 n THR 30 Cb 0.63 -1.23 0.00 0.00 -2.10 0.00 0.00 70.33 67.64 1ic4 n THR 30 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1ic4 n SER 31 N 2.29 0.00 -4.51 3.42 7.64 -1.26 -4.97 113.62 116.23 1ic4 n SER 31 Ca 0.14 0.00 -0.28 0.00 1.01 0.00 0.00 58.87 59.73 1ic4 n SER 31 Cb 0.28 -0.01 0.22 0.00 -1.01 0.00 0.00 64.21 63.69 1ic4 n SER 31 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ic4 s ALA 32 N -0.03 0.22 -0.23 -0.43 0.00 -1.04 -3.08 121.76 117.17 1ic4 s ALA 32 Ca 0.00 -0.35 -0.08 0.00 0.00 0.00 0.00 51.96 51.52 1ic4 s ALA 32 Cb 0.00 -3.14 -0.04 0.00 0.00 0.00 0.00 23.12 19.94 1ic4 s ALA 32 CO 0.00 -3.40 0.10 0.71 0.00 0.00 0.00 175.76 173.17 1ic4 s TYR 33 N -2.75 3.21 0.00 0.00 1.51 -1.26 -4.20 117.35 113.86 1ic4 s TYR 33 Ca 0.67 -0.04 0.05 0.00 -1.01 0.00 0.00 57.07 56.74 1ic4 s TYR 33 Cb -0.20 -2.20 -0.01 0.00 -0.11 0.00 0.00 41.96 39.43 1ic4 s TYR 33 CO 0.60 -0.06 -0.16 -1.58 -1.11 0.00 0.00 175.55 173.24 1ic4 s TRP 34 N 1.07 1.39 0.32 2.71 0.52 -0.85 -2.01 118.94 122.09 1ic4 s TRP 34 Ca 0.05 -0.29 0.03 0.00 0.02 0.00 0.00 56.10 55.92 1ic4 s TRP 34 Cb -0.14 -0.87 -0.05 0.00 -1.15 0.00 0.00 33.47 31.26 1ic4 s TRP 34 CO 0.04 -0.00 0.10 -1.12 0.02 0.00 0.00 176.95 175.99 1ic4 s SER 35 N -0.57 1.96 -0.01 2.95 0.01 0.04 -0.92 113.70 117.16 1ic4 s SER 35 Ca 0.05 -1.47 0.01 0.00 1.31 0.00 0.00 55.95 55.85 1ic4 s SER 35 Cb -0.06 0.20 0.01 0.00 0.21 0.00 0.00 66.02 66.37 1ic4 s SER 35 CO -0.00 -0.76 -0.02 0.26 0.41 0.00 0.00 173.24 173.13 1ic4 s TRP 36 N -3.47 0.26 0.09 2.43 0.52 -0.92 -2.05 118.94 115.80 1ic4 s TRP 36 Ca 0.34 -0.03 0.04 0.00 0.02 0.00 0.00 56.10 56.47 1ic4 s TRP 36 Cb 0.07 -0.24 -0.03 0.00 -1.15 0.00 0.00 33.47 32.11 1ic4 s TRP 36 CO 0.15 -0.04 -0.11 0.42 0.02 0.00 0.00 176.95 177.39 1ic4 s ILE 37 N 0.30 0.96 0.03 2.03 1.09 -0.56 -1.27 121.20 123.77 1ic4 s ILE 37 Ca -0.03 -1.58 0.02 0.00 -1.10 0.00 0.00 60.65 57.96 1ic4 s ILE 37 Cb -0.05 -1.30 -0.02 0.00 -1.06 0.00 0.00 42.46 40.03 1ic4 s ILE 37 CO -0.01 -0.51 -0.07 0.00 -0.10 0.00 0.00 174.94 174.26 1ic4 s ARG 38 N -2.61 0.47 -0.18 2.79 1.70 -0.55 0.32 118.95 120.89 1ic4 s ARG 38 Ca 0.04 -0.62 0.00 0.00 -0.47 0.00 0.00 55.73 54.69 1ic4 s ARG 38 Cb -0.04 -0.26 0.02 0.00 -0.57 0.00 0.00 34.95 34.09 1ic4 s ARG 38 CO 0.00 0.05 -0.18 0.21 -1.08 0.00 0.00 175.30 174.30 1ic4 s LYS 39 N -1.25 3.04 0.61 3.89 2.20 0.83 -0.87 119.74 128.19 1ic4 s LYS 39 Ca -0.08 -0.80 -0.09 0.00 -0.36 0.00 0.00 55.97 54.64 1ic4 s LYS 39 Cb -0.08 -2.62 -0.01 0.00 -1.51 0.00 0.00 37.83 33.60 1ic4 s LYS 39 CO 0.00 -0.21 0.97 -0.06 -0.36 0.00 0.00 175.35 175.70 1ic4 s PHE 40 N 1.31 3.45 0.26 4.03 0.08 0.73 -0.60 117.98 127.24 1ic4 s PHE 40 Ca 0.05 0.99 -0.31 0.00 0.12 0.00 0.00 56.93 57.78 1ic4 s PHE 40 Cb -0.13 -2.74 -0.12 0.00 -0.57 0.00 0.00 43.02 39.46 1ic4 s PHE 40 CO -0.12 -0.77 1.62 -2.30 -0.10 0.00 0.00 175.22 173.55 1ic4 n PRO 41 N -2.69 2.65 -0.06 0.24 -0.02 -1.26 -2.46 135.00 131.40 1ic4 n PRO 41 Ca 0.05 0.95 0.00 0.00 -2.02 0.00 0.00 63.50 62.48 1ic4 n PRO 41 Cb 0.56 -2.74 0.00 0.00 -0.02 0.00 0.00 33.50 31.30 1ic4 n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ic4 n GLY 42 N 2.74 0.97 2.76 -1.23 0.00 -1.26 -4.55 105.19 104.62 1ic4 n GLY 42 Ca 0.11 -0.02 -0.01 0.00 0.00 0.00 0.00 46.02 46.10 1ic4 n GLY 42 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ic4 n ASN 43 N 0.04 -5.30 -4.73 1.61 3.02 -1.03 -4.99 115.26 103.87 1ic4 n ASN 43 Ca 0.00 0.02 -0.41 0.00 -0.03 0.00 0.00 54.58 54.16 1ic4 n ASN 43 Cb 0.00 -2.86 -0.05 0.00 -0.61 0.00 0.00 39.78 36.26 1ic4 n ASN 43 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ic4 s ARG 44 N -1.63 4.74 -0.10 3.52 1.70 -1.24 -4.83 118.95 121.12 1ic4 s ARG 44 Ca 0.00 1.46 -0.01 0.00 -0.47 0.00 0.00 55.73 56.71 1ic4 s ARG 44 Cb 0.00 -3.35 -0.03 0.00 -0.57 0.00 0.00 34.95 31.00 1ic4 s ARG 44 CO 0.00 0.30 -0.05 -0.51 -1.08 0.00 0.00 175.30 173.96 1ic4 s LEU 45 N -0.34 3.25 -0.13 -1.89 1.43 -1.26 -0.19 118.68 119.54 1ic4 s LEU 45 Ca 0.45 -0.04 0.01 0.00 -1.03 0.00 0.00 54.13 53.52 1ic4 s LEU 45 Cb -0.24 -1.74 0.02 0.00 0.03 0.00 0.00 46.19 44.26 1ic4 s LEU 45 CO 0.30 0.29 -0.14 -0.70 0.23 0.00 0.00 176.35 176.34 1ic4 s GLU 46 N -0.38 2.18 -0.14 1.70 2.12 -0.05 -4.99 118.70 119.16 1ic4 s GLU 46 Ca 0.06 -0.52 -0.29 0.00 0.36 0.00 0.00 54.97 54.57 1ic4 s GLU 46 Cb -0.12 -1.99 -0.01 0.00 0.26 0.00 0.00 34.13 32.26 1ic4 s GLU 46 CO 0.02 -0.20 1.14 -0.47 -0.54 0.00 0.00 175.26 175.21 1ic4 s TYR 47 N 1.39 3.20 -0.19 5.30 5.04 -1.26 -1.48 117.35 129.35 1ic4 s TYR 47 Ca 0.02 1.30 -0.12 0.00 -2.44 0.00 0.00 57.07 55.83 1ic4 s TYR 47 Cb -0.13 -3.36 -0.21 0.00 0.35 0.00 0.00 41.96 38.61 1ic4 s TYR 47 CO -0.08 -1.00 0.15 -1.33 -1.34 0.00 0.00 175.55 171.95 1ic4 n MET 48 N 5.80 0.66 0.00 4.97 2.81 -0.40 -4.60 117.12 126.36 1ic4 n MET 48 Ca 0.12 0.36 0.00 0.00 -1.81 0.00 0.00 57.70 56.36 1ic4 n MET 48 Cb 0.46 -1.67 0.00 0.00 -0.71 0.00 0.00 33.22 31.30 1ic4 n MET 48 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1ic4 n GLY 49 N 1.74 0.05 3.11 3.03 0.00 -1.22 -0.75 105.19 111.15 1ic4 n GLY 49 Ca -0.37 -0.95 -0.08 0.00 0.00 0.00 0.00 46.02 44.62 1ic4 n GLY 49 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1ic4 s TYR 50 N -2.00 0.33 0.01 1.61 -0.85 -0.29 -2.17 117.35 114.00 1ic4 s TYR 50 Ca 0.00 -0.75 0.02 0.00 -0.52 0.00 0.00 57.07 55.82 1ic4 s TYR 50 Cb 0.00 -0.24 -0.04 0.00 0.38 0.00 0.00 41.96 42.07 1ic4 s TYR 50 CO 0.00 -0.38 -0.01 0.08 -1.52 0.00 0.00 175.55 173.72 1ic4 s VAL 51 N -3.25 4.05 0.35 -3.49 1.01 -0.09 -1.91 120.40 117.07 1ic4 s VAL 51 Ca 0.01 -0.68 0.02 0.00 0.00 0.00 0.00 61.98 61.33 1ic4 s VAL 51 Cb 0.03 -2.82 -0.01 0.00 0.00 0.00 0.00 36.38 33.58 1ic4 s VAL 51 CO -0.08 0.35 0.09 -1.54 0.00 0.00 0.00 175.10 173.92 1ic4 n SER 52 N 1.32 1.63 -0.20 3.32 3.41 0.09 -2.01 113.62 121.18 1ic4 n SER 52 Ca -0.14 -2.75 0.01 0.00 -0.26 0.00 0.00 58.87 55.73 1ic4 n SER 52 Cb 0.53 0.70 0.12 0.00 -0.26 0.00 0.00 64.21 65.29 1ic4 n SER 52 CO 0.00 0.00 0.00 0.10 -0.16 0.00 0.00 175.04 174.98 1ic4 h TYR 53 N 1.46 0.23 0.00 7.33 -0.00 -1.71 0.33 116.97 124.62 1ic4 h TYR 53 Ca -0.27 0.04 0.00 0.00 -0.00 0.00 0.00 58.73 58.49 1ic4 h TYR 53 Cb 0.98 -0.01 0.00 0.00 -0.00 0.00 0.00 36.73 37.70 1ic4 h TYR 53 CO 0.00 -0.02 0.00 0.66 -0.00 0.00 0.00 178.16 178.80 1ic4 h SER 54 N 0.28 0.00 0.00 0.10 4.64 -1.95 -3.43 113.55 113.19 1ic4 h SER 54 Ca 0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 1ic4 h SER 54 Cb 0.48 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 1ic4 h SER 54 CO -0.40 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.17 1ic4 n GLY 55 N 0.15 0.85 3.83 -0.77 0.00 0.11 -5.07 105.19 104.28 1ic4 n GLY 55 Ca 0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 1ic4 n GLY 55 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ic4 s SER 56 N -2.25 6.14 0.10 1.61 1.04 -1.25 -4.71 113.70 114.38 1ic4 s SER 56 Ca 0.00 1.65 0.04 0.00 0.48 0.00 0.00 55.95 58.11 1ic4 s SER 56 Cb 0.00 -2.51 -0.04 0.00 0.10 0.00 0.00 66.02 63.57 1ic4 s SER 56 CO 0.00 -0.92 -0.10 0.42 0.98 0.00 0.00 173.24 173.61 1ic4 s THR 57 N -2.67 0.97 -0.05 2.02 -4.23 -1.26 -0.73 115.64 109.69 1ic4 s THR 57 Ca 0.60 -1.63 0.00 0.00 -1.18 0.00 0.00 61.69 59.48 1ic4 s THR 57 Cb -0.13 -1.36 0.02 0.00 1.34 0.00 0.00 72.50 72.38 1ic4 s THR 57 CO 0.39 -0.54 -0.02 -0.31 -0.54 0.00 0.00 174.62 173.60 1ic4 s TYR 58 N -2.38 0.60 -0.01 3.99 1.51 -0.80 -4.99 117.35 115.28 1ic4 s TYR 58 Ca 0.05 -0.13 0.06 0.00 -1.01 0.00 0.00 57.07 56.04 1ic4 s TYR 58 Cb -0.03 -0.64 -0.02 0.00 -0.11 0.00 0.00 41.96 41.17 1ic4 s TYR 58 CO 0.00 -0.22 -0.19 0.71 -1.11 0.00 0.00 175.55 174.75 1ic4 s TYR 59 N 1.27 1.69 0.17 2.71 2.02 -1.26 -1.13 117.35 122.81 1ic4 s TYR 59 Ca -0.06 -0.33 -0.31 0.00 -0.37 0.00 0.00 57.07 56.01 1ic4 s TYR 59 Cb -0.13 -1.07 -0.09 0.00 -0.40 0.00 0.00 41.96 40.26 1ic4 s TYR 59 CO -0.02 -0.01 1.43 1.21 -1.57 0.00 0.00 175.55 176.59 1ic4 s ASN 60 N -0.55 6.74 0.37 2.29 3.84 0.07 -4.89 114.94 122.82 1ic4 s ASN 60 Ca 0.07 2.48 0.27 0.00 0.21 0.00 0.00 52.86 55.90 1ic4 s ASN 60 Cb -0.07 -2.60 1.19 0.00 -0.55 0.00 0.00 41.25 39.21 1ic4 s ASN 60 CO -0.00 -0.68 1.82 -0.65 -2.79 0.00 0.00 177.10 174.79 1ic4 h PRO 61 N 6.16 0.00 0.00 0.43 0.11 -1.95 -2.04 132.00 134.71 1ic4 h PRO 61 Ca -0.44 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.67 1ic4 h PRO 61 Cb 1.21 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 1ic4 h PRO 61 CO 0.84 0.00 -0.03 0.66 -0.21 0.00 0.00 178.00 179.26 1ic4 h SER 62 N 0.00 0.00 0.06 -2.05 4.64 -1.97 -0.13 113.55 114.10 1ic4 h SER 62 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ic4 h SER 62 Cb 0.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 1ic4 h SER 62 CO 0.00 0.03 -0.02 0.18 -0.87 0.00 0.00 176.83 176.16 1ic4 n LEU 63 N -3.50 0.54 -4.26 5.97 7.99 -0.77 -4.94 117.00 118.05 1ic4 n LEU 63 Ca -0.02 -0.15 -0.36 0.00 -0.01 0.00 0.00 56.01 55.46 1ic4 n LEU 63 Cb 0.14 -0.03 -0.04 0.00 -0.11 0.00 0.00 43.42 43.38 1ic4 n LEU 63 CO 0.26 0.09 -0.08 0.29 -1.51 0.00 0.00 177.39 176.44 1ic4 n LYS 64 N -0.63 -2.71 -2.84 3.23 4.01 -0.06 -1.48 118.16 117.68 1ic4 n LYS 64 Ca 0.21 0.33 -0.18 0.00 -0.51 0.00 0.00 58.31 58.15 1ic4 n LYS 64 Cb 0.21 -4.93 0.03 0.00 -0.51 0.00 0.00 35.03 29.83 1ic4 n LYS 64 CO 0.00 0.00 0.00 0.43 -1.11 0.00 0.00 177.40 176.72 1ic4 n SER 65 N -2.66 -5.32 -0.71 4.39 7.64 -1.26 -4.89 113.62 110.81 1ic4 n SER 65 Ca 0.03 -0.22 0.08 0.00 1.01 0.00 0.00 58.87 59.77 1ic4 n SER 65 Cb 0.51 -4.18 0.11 0.00 -1.01 0.00 0.00 64.21 59.64 1ic4 n SER 65 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1ic4 n ARG 66 N -3.39 1.68 -4.05 1.43 1.74 -0.55 -4.98 116.66 108.54 1ic4 n ARG 66 Ca -0.10 -1.69 -0.32 0.00 -0.77 0.00 0.00 57.85 54.96 1ic4 n ARG 66 Cb 0.60 -1.33 -0.06 0.00 -1.02 0.00 0.00 32.46 30.66 1ic4 n ARG 66 CO 0.00 0.00 0.00 -1.50 -1.52 0.00 0.00 177.63 174.61 1ic4 s ILE 67 N -1.22 4.80 -0.04 0.55 2.07 -1.26 -0.58 121.20 125.52 1ic4 s ILE 67 Ca 0.23 -0.49 -0.02 0.00 -1.41 0.00 0.00 60.65 58.96 1ic4 s ILE 67 Cb 0.14 -3.25 0.02 0.00 0.13 0.00 0.00 42.46 39.51 1ic4 s ILE 67 CO 0.20 0.26 0.09 -0.55 -1.91 0.00 0.00 174.94 173.04 1ic4 s SER 68 N -2.02 -0.06 -0.04 4.50 0.15 -0.40 -5.00 113.70 110.84 1ic4 s SER 68 Ca 0.26 0.18 0.06 0.00 0.70 0.00 0.00 55.95 57.15 1ic4 s SER 68 Cb -0.12 0.11 -0.01 0.00 -1.71 0.00 0.00 66.02 64.29 1ic4 s SER 68 CO 0.18 -0.09 -0.22 -0.63 1.20 0.00 0.00 173.24 173.68 1ic4 s ILE 69 N 0.65 1.79 -0.04 6.45 1.01 -1.26 -0.69 121.20 129.10 1ic4 s ILE 69 Ca -0.05 -0.94 -0.15 0.00 0.00 0.00 0.00 60.65 59.51 1ic4 s ILE 69 Cb -0.07 -1.50 0.03 0.00 0.01 0.00 0.00 42.46 40.92 1ic4 s ILE 69 CO -0.03 0.50 0.33 -0.89 0.00 0.00 0.00 174.94 174.86 1ic4 s THR 70 N -0.26 0.04 0.07 2.92 2.01 -0.80 -4.93 115.64 114.70 1ic4 s THR 70 Ca 0.01 -0.36 0.07 0.00 0.31 0.00 0.00 61.69 61.72 1ic4 s THR 70 Cb -0.11 -0.60 -0.03 0.00 0.01 0.00 0.00 72.50 71.77 1ic4 s THR 70 CO 0.01 -0.20 -0.19 0.00 -0.69 0.00 0.00 174.62 173.56 1ic4 s ARG 71 N -1.01 1.11 -0.27 4.92 1.70 -1.26 0.18 118.95 124.31 1ic4 s ARG 71 Ca -0.11 -1.02 0.01 0.00 -0.47 0.00 0.00 55.73 54.14 1ic4 s ARG 71 Cb -0.04 -1.26 0.05 0.00 -0.57 0.00 0.00 34.95 33.13 1ic4 s ARG 71 CO 0.04 0.30 -0.06 0.34 -1.08 0.00 0.00 175.30 174.84 1ic4 s ASP 72 N -1.59 4.60 0.41 -2.89 2.15 -0.57 -4.99 116.67 113.79 1ic4 s ASP 72 Ca 0.05 -1.29 0.07 0.00 0.43 0.00 0.00 52.55 51.80 1ic4 s ASP 72 Cb -0.09 -1.63 0.85 0.00 -0.30 0.00 0.00 42.92 41.75 1ic4 s ASP 72 CO 0.03 -0.21 2.05 0.74 -0.17 0.00 0.00 175.17 177.61 1ic4 h THR 73 N 6.58 1.10 -0.05 1.71 2.02 -1.99 -2.56 112.91 119.72 1ic4 h THR 73 Ca -0.21 -0.20 -0.16 0.00 0.77 0.00 0.00 66.41 66.61 1ic4 h THR 73 Cb 1.06 0.48 0.01 0.00 -1.74 0.00 0.00 68.15 67.95 1ic4 h THR 73 CO 0.50 0.10 -0.58 0.77 0.37 0.00 0.00 175.52 176.68 1ic4 h SER 74 N 0.57 0.59 1.60 4.18 4.64 -1.95 -3.23 113.55 119.96 1ic4 h SER 74 Ca 0.16 -0.70 0.00 0.00 -0.47 0.00 0.00 61.79 60.78 1ic4 h SER 74 Cb -0.03 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 61.88 1ic4 h SER 74 CO -0.04 1.21 -0.04 0.11 -0.87 0.00 0.00 176.83 177.20 1ic4 h LYS 75 N 0.03 0.00 -3.70 4.77 1.57 -2.01 -3.47 116.57 113.75 1ic4 h LYS 75 Ca -0.06 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.53 1ic4 h LYS 75 Cb 1.26 0.00 0.08 0.00 0.08 0.00 0.00 32.23 33.65 1ic4 h LYS 75 CO 0.12 0.00 -0.38 -1.71 -0.57 0.00 0.00 179.45 176.91 1ic4 n ASN 76 N -2.52 -3.39 -4.26 0.86 4.05 -0.96 -4.91 115.26 104.12 1ic4 n ASN 76 Ca 0.05 -0.30 -0.15 0.00 0.45 0.00 0.00 54.58 54.63 1ic4 n ASN 76 Cb 0.46 -2.91 -0.10 0.00 1.23 0.00 0.00 39.78 38.47 1ic4 n ASN 76 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 177.26 173.11 1ic4 s GLN 77 N -5.30 1.11 0.05 1.20 -0.21 -1.23 -1.89 119.66 113.39 1ic4 s GLN 77 Ca 0.18 -1.48 -0.00 0.00 0.02 0.00 0.00 55.36 54.08 1ic4 s GLN 77 Cb -0.08 -0.66 -0.03 0.00 1.00 0.00 0.00 33.01 33.23 1ic4 s GLN 77 CO 0.38 0.07 -0.04 1.52 -2.12 0.00 0.00 175.29 175.10 1ic4 s TYR 78 N -3.31 0.53 0.22 0.91 -0.85 -0.83 -1.51 117.35 112.51 1ic4 s TYR 78 Ca 0.18 -0.87 0.08 0.00 -0.52 0.00 0.00 57.07 55.94 1ic4 s TYR 78 Cb 0.03 -0.36 -0.05 0.00 0.38 0.00 0.00 41.96 41.95 1ic4 s TYR 78 CO 0.02 -0.27 -0.14 0.71 -1.52 0.00 0.00 175.55 174.35 1ic4 s TYR 79 N -3.09 1.77 -0.16 -3.49 2.02 0.48 -1.29 117.35 113.59 1ic4 s TYR 79 Ca 0.01 -0.57 0.01 0.00 -0.37 0.00 0.00 57.07 56.15 1ic4 s TYR 79 Cb 0.02 -0.84 0.01 0.00 -0.40 0.00 0.00 41.96 40.75 1ic4 s TYR 79 CO -0.06 0.37 -0.20 -1.17 -1.57 0.00 0.00 175.55 172.92 1ic4 s LEU 80 N -3.34 2.18 -0.10 -1.29 2.96 -0.53 -1.90 118.68 116.66 1ic4 s LEU 80 Ca 0.24 -0.60 0.03 0.00 -0.22 0.00 0.00 54.13 53.57 1ic4 s LEU 80 Cb -0.00 -1.48 0.01 0.00 0.50 0.00 0.00 46.19 45.21 1ic4 s LEU 80 CO 0.08 0.05 -0.19 -1.81 -1.32 0.00 0.00 176.35 173.16 1ic4 s ASP 81 N 1.02 2.64 -0.19 3.68 1.01 0.13 -1.28 116.67 123.68 1ic4 s ASP 81 Ca -0.02 -0.48 -0.01 0.00 0.71 0.00 0.00 52.55 52.76 1ic4 s ASP 81 Cb -0.14 -1.20 0.05 0.00 1.01 0.00 0.00 42.92 42.63 1ic4 s ASP 81 CO -0.06 0.08 -0.03 -0.22 0.21 0.00 0.00 175.17 175.14 1ic4 s LEU 82 N 0.67 1.75 0.44 1.23 2.96 -0.38 -1.28 118.68 124.06 1ic4 s LEU 82 Ca -0.13 -0.82 -0.09 0.00 -0.22 0.00 0.00 54.13 52.88 1ic4 s LEU 82 Cb -0.16 -0.91 -0.05 0.00 0.50 0.00 0.00 46.19 45.56 1ic4 s LEU 82 CO 0.03 -0.22 0.78 0.20 -1.32 0.00 0.00 176.35 175.82 1ic4 s ASN 83 N 1.62 6.42 -1.09 3.68 0.01 0.25 -0.84 114.94 124.99 1ic4 s ASN 83 Ca -0.01 1.07 -0.18 0.00 -0.71 0.00 0.00 52.86 53.03 1ic4 s ASN 83 Cb -0.16 -2.30 -0.01 0.00 0.41 0.00 0.00 41.25 39.18 1ic4 s ASN 83 CO -0.07 -0.47 0.79 -1.20 -1.51 0.00 0.00 177.10 174.64 1ic4 n SER 84 N -1.66 -5.56 -4.80 -1.22 7.64 -1.07 -4.89 113.62 102.06 1ic4 n SER 84 Ca 0.02 -0.94 -0.32 0.00 1.01 0.00 0.00 58.87 58.63 1ic4 n SER 84 Cb 0.54 -3.53 0.03 0.00 -1.01 0.00 0.00 64.21 60.25 1ic4 n SER 84 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 1ic4 s VAL 85 N -3.41 3.68 0.38 0.44 -7.23 0.65 -4.54 120.40 110.37 1ic4 s VAL 85 Ca 0.43 0.73 0.04 0.00 -1.81 0.00 0.00 61.98 61.36 1ic4 s VAL 85 Cb -0.15 -3.29 -0.04 0.00 0.56 0.00 0.00 36.38 33.47 1ic4 s VAL 85 CO 0.85 -0.53 0.09 0.42 -0.31 0.00 0.00 175.10 175.61 1ic4 s THR 86 N -2.55 0.90 0.63 5.32 -4.23 -1.26 0.13 115.64 114.57 1ic4 s THR 86 Ca 0.63 -2.00 0.35 0.00 -1.18 0.00 0.00 61.69 59.49 1ic4 s THR 86 Cb -0.17 -2.52 0.38 0.00 1.34 0.00 0.00 72.50 71.54 1ic4 s THR 86 CO 0.42 0.00 2.21 0.71 -0.54 0.00 0.00 174.62 177.42 1ic4 h THR 87 N 1.88 0.25 0.00 3.99 1.35 -1.97 0.28 112.91 118.69 1ic4 h THR 87 Ca -0.38 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.48 1ic4 h THR 87 Cb 1.27 0.91 0.00 0.00 -1.73 0.00 0.00 68.15 68.59 1ic4 h THR 87 CO 0.64 0.00 0.00 -0.62 -0.25 0.00 0.00 175.52 175.29 1ic4 n GLU 88 N -3.43 0.51 0.00 4.72 1.02 -1.26 -2.29 120.64 119.91 1ic4 n GLU 88 Ca -0.02 0.04 0.13 0.00 -0.02 0.00 0.00 57.16 57.29 1ic4 n GLU 88 Cb 0.19 -1.50 0.27 0.00 -0.02 0.00 0.00 31.44 30.38 1ic4 n GLU 88 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1ic4 n ASP 89 N -1.14 2.40 -4.70 1.62 8.00 0.97 -4.93 116.55 118.77 1ic4 n ASP 89 Ca 0.14 -1.80 -0.42 0.00 0.71 0.00 0.00 54.79 53.42 1ic4 n ASP 89 Cb 0.12 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.20 1ic4 n ASP 89 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1ic4 s THR 90 N -2.00 2.44 0.00 -3.53 2.01 -0.97 -4.88 115.64 108.71 1ic4 s THR 90 Ca 0.32 0.13 0.00 0.00 0.31 0.00 0.00 61.69 62.45 1ic4 s THR 90 Cb 0.20 -3.08 0.00 0.00 0.01 0.00 0.00 72.50 69.63 1ic4 s THR 90 CO 0.32 0.00 0.00 0.00 -0.69 0.00 0.00 174.62 174.25 1ic4 n ALA 91 N 4.96 0.00 -2.60 7.40 0.00 -0.25 -4.56 120.51 125.46 1ic4 n ALA 91 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.22 1ic4 n ALA 91 Cb 0.37 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.72 1ic4 n ALA 91 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1ic4 s THR 92 N -2.00 5.26 -0.17 0.00 2.01 0.23 -0.88 115.64 120.08 1ic4 s THR 92 Ca 0.00 0.33 -0.11 0.00 0.31 0.00 0.00 61.69 62.23 1ic4 s THR 92 Cb 0.00 -3.60 -0.05 0.00 0.01 0.00 0.00 72.50 68.87 1ic4 s THR 92 CO 0.00 0.22 0.19 -0.31 -0.69 0.00 0.00 174.62 174.03 1ic4 s TYR 93 N 1.83 3.46 0.16 4.92 1.51 -0.20 -0.12 117.35 128.91 1ic4 s TYR 93 Ca 0.10 0.45 0.11 0.00 -1.01 0.00 0.00 57.07 56.72 1ic4 s TYR 93 Cb -0.16 -2.19 -0.04 0.00 -0.11 0.00 0.00 41.96 39.46 1ic4 s TYR 93 CO 0.10 0.34 -0.22 0.71 -1.11 0.00 0.00 175.55 175.38 1ic4 s TYR 94 N 0.17 2.39 -0.04 2.71 1.51 0.15 -2.13 117.35 122.11 1ic4 s TYR 94 Ca 0.12 -0.33 0.00 0.00 -1.01 0.00 0.00 57.07 55.85 1ic4 s TYR 94 Cb -0.12 -1.22 -0.03 0.00 -0.11 0.00 0.00 41.96 40.48 1ic4 s TYR 94 CO 0.01 0.44 -0.00 0.00 -1.11 0.00 0.00 175.55 174.89 1ic4 s ALA 96 N -1.00 -1.63 0.59 0.00 0.00 -0.87 0.14 121.76 119.00 1ic4 s ALA 96 Ca 0.17 1.03 -0.14 0.00 0.00 0.00 0.00 51.96 53.02 1ic4 s ALA 96 Cb -0.11 0.20 -0.05 0.00 0.00 0.00 0.00 23.12 23.16 1ic4 s ALA 96 CO 0.07 -0.45 1.03 0.54 0.00 0.00 0.00 175.76 176.95 1ic4 s ASN 97 N -1.56 6.13 0.24 0.00 2.20 -0.78 -0.78 114.94 120.39 1ic4 s ASN 97 Ca -0.08 1.59 -0.04 0.00 -0.94 0.00 0.00 52.86 53.39 1ic4 s ASN 97 Cb -0.01 -2.50 0.44 0.00 -2.00 0.00 0.00 41.25 37.19 1ic4 s ASN 97 CO 0.04 -0.93 1.74 -0.25 -2.94 0.00 0.00 177.10 174.76 1ic4 h TRP 98 N 0.22 0.56 0.00 1.54 7.01 -1.73 -0.97 115.95 122.57 1ic4 h TRP 98 Ca -0.46 0.03 0.00 0.00 2.11 0.00 0.00 58.89 60.58 1ic4 h TRP 98 Cb 1.20 -0.13 0.00 0.00 -2.10 0.00 0.00 29.16 28.13 1ic4 h TRP 98 CO 0.63 0.10 0.00 -0.44 -2.79 0.00 0.00 178.44 175.94 1ic4 h ASP 99 N 0.49 0.00 -0.03 2.65 5.19 -1.92 -3.46 116.42 119.34 1ic4 h ASP 99 Ca 0.41 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.81 1ic4 h ASP 99 Cb 0.58 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.09 1ic4 h ASP 99 CO -0.38 0.00 -0.01 0.61 -3.12 0.00 0.00 179.24 176.34 1ic4 n GLY 100 N -0.90 0.47 0.23 2.75 0.00 -0.37 -4.95 105.19 102.43 1ic4 n GLY 100 Ca -0.01 -0.28 0.10 0.00 0.00 0.00 0.00 46.02 45.83 1ic4 n GLY 100 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1ic4 n ASP 101 N 0.42 1.46 -3.81 1.61 3.85 -1.26 -4.82 116.55 114.00 1ic4 n ASP 101 Ca -0.01 -1.23 -0.26 0.00 -0.71 0.00 0.00 54.79 52.58 1ic4 n ASP 101 Cb 0.05 0.75 -0.17 0.00 -1.35 0.00 0.00 41.12 40.41 1ic4 n ASP 101 CO 0.00 0.00 0.00 -0.31 -1.01 0.00 0.00 177.20 175.88 1ic4 s TYR 102 N -2.70 1.17 0.11 2.11 1.51 -1.26 -5.07 117.35 113.21 1ic4 s TYR 102 Ca 0.13 -0.71 0.10 0.00 -1.01 0.00 0.00 57.07 55.57 1ic4 s TYR 102 Cb 0.17 -1.07 -0.04 0.00 -0.11 0.00 0.00 41.96 40.91 1ic4 s TYR 102 CO 0.71 -0.52 -0.22 -1.58 -1.11 0.00 0.00 175.55 172.83 1ic4 s TRP 103 N 1.81 2.43 0.67 2.71 0.52 -1.26 -1.86 118.94 123.96 1ic4 s TRP 103 Ca 0.02 -0.32 -0.11 0.00 0.02 0.00 0.00 56.10 55.71 1ic4 s TRP 103 Cb -0.15 -1.33 0.15 0.00 -1.15 0.00 0.00 33.47 31.00 1ic4 s TRP 103 CO -0.07 0.33 0.92 0.41 0.02 0.00 0.00 176.95 178.56 1ic4 n GLY 104 N 1.01 -1.20 0.13 0.98 0.00 0.12 -4.66 105.19 101.58 1ic4 n GLY 104 Ca -0.17 -1.73 0.01 0.00 0.00 0.00 0.00 46.02 44.13 1ic4 n GLY 104 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1ic4 h GLN 105 N 0.00 0.00 0.00 1.61 4.20 -1.89 -3.44 115.11 115.59 1ic4 h GLN 105 Ca -0.30 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.41 1ic4 h GLN 105 Cb 0.84 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.62 1ic4 h GLN 105 CO 0.22 0.60 0.00 0.41 -0.67 0.00 0.00 178.83 179.39 1ic4 n GLY 106 N 1.07 2.73 3.14 3.46 0.00 -1.26 -5.05 105.19 109.28 1ic4 n GLY 106 Ca 0.01 -1.88 -0.11 0.00 0.00 0.00 0.00 46.02 44.04 1ic4 n GLY 106 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1ic4 s THR 107 N -2.70 -0.34 -0.08 2.61 -1.32 -0.90 -4.85 115.64 108.05 1ic4 s THR 107 Ca 0.00 0.19 -0.30 0.00 -1.21 0.00 0.00 61.69 60.37 1ic4 s THR 107 Cb 0.00 -0.52 -0.02 0.00 -1.51 0.00 0.00 72.50 70.45 1ic4 s THR 107 CO 0.00 0.08 1.03 -0.22 -2.21 0.00 0.00 174.62 173.30 1ic4 s LEU 108 N 2.07 4.27 -0.18 9.08 1.98 -1.26 -1.04 118.68 133.60 1ic4 s LEU 108 Ca -0.04 1.59 0.01 0.00 -2.89 0.00 0.00 54.13 52.81 1ic4 s LEU 108 Cb -0.11 -3.56 0.02 0.00 0.66 0.00 0.00 46.19 43.20 1ic4 s LEU 108 CO -0.10 -0.44 -0.19 -0.69 -1.89 0.00 0.00 176.35 173.03 1ic4 s VAL 109 N 1.90 2.04 -0.10 1.68 1.01 -0.06 -4.53 120.40 122.34 1ic4 s VAL 109 Ca 0.50 -0.95 -0.03 0.00 0.00 0.00 0.00 61.98 61.50 1ic4 s VAL 109 Cb -0.20 -1.85 -0.03 0.00 0.00 0.00 0.00 36.38 34.30 1ic4 s VAL 109 CO 0.20 0.51 0.02 -0.89 0.00 0.00 0.00 175.10 174.94 1ic4 s THR 110 N 1.29 4.47 -0.35 3.92 2.01 0.67 -1.09 115.64 126.57 1ic4 s THR 110 Ca 0.05 -0.18 -0.08 0.00 0.31 0.00 0.00 61.69 61.78 1ic4 s THR 110 Cb -0.13 -2.90 0.03 0.00 0.01 0.00 0.00 72.50 69.51 1ic4 s THR 110 CO -0.13 0.60 0.15 -0.69 -0.69 0.00 0.00 174.62 173.85 1ic4 s VAL 111 N -0.79 4.14 0.06 3.82 1.01 -1.26 -0.77 120.40 126.62 1ic4 s VAL 111 Ca 0.12 -0.96 -0.05 0.00 0.00 0.00 0.00 61.98 61.09 1ic4 s VAL 111 Cb -0.12 -3.31 -0.02 0.00 0.00 0.00 0.00 36.38 32.94 1ic4 s VAL 111 CO 0.02 -0.17 0.07 -0.94 0.00 0.00 0.00 175.10 174.09 1ic4 s SER 112 N 1.48 0.30 -1.23 3.32 1.04 0.21 -4.60 113.70 114.21 1ic4 s SER 112 Ca 0.00 -0.79 -0.17 0.00 0.48 0.00 0.00 55.95 55.47 1ic4 s SER 112 Cb -0.19 0.26 -0.02 0.00 0.10 0.00 0.00 66.02 66.17 1ic4 s SER 112 CO 0.04 -0.64 2.09 0.00 0.98 0.00 0.00 173.24 175.72 1ic4 n ALA 113 N 0.15 4.61 0.00 5.32 0.00 -1.26 -4.14 120.51 125.18 1ic4 n ALA 113 Ca -0.15 -3.68 0.00 0.00 0.00 0.00 0.00 53.44 49.61 1ic4 n ALA 113 Cb 0.61 -3.57 0.00 0.00 0.00 0.00 0.00 19.45 16.49 1ic4 n ALA 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50