#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 4.48 0.51 3.15 -7.23 -1.26 -1.41 120.40 118.65 1ic4 s VAL 2 Ca 0.00 -0.20 -0.18 0.00 -1.81 0.00 0.00 61.98 59.79 1ic4 s VAL 2 Cb 0.00 -3.15 -0.07 0.00 0.56 0.00 0.00 36.38 33.72 1ic4 s VAL 2 CO 0.00 0.26 1.02 -0.36 -0.31 0.00 0.00 175.10 175.71 1ic4 s PHE 3 N 1.63 3.13 0.72 2.82 0.08 0.88 -4.99 117.98 122.25 1ic4 s PHE 3 Ca 0.06 1.54 -0.11 0.00 0.12 0.00 0.00 56.93 58.54 1ic4 s PHE 3 Cb -0.16 -2.97 0.03 0.00 -0.57 0.00 0.00 43.02 39.36 1ic4 s PHE 3 CO 0.05 -0.72 1.10 0.20 -0.10 0.00 0.00 175.22 175.75 1ic4 s GLY 4 N -2.45 1.62 -0.00 4.36 0.00 -1.26 -4.81 107.32 104.78 1ic4 s GLY 4 Ca 0.64 -0.46 -0.24 0.00 0.00 0.00 0.00 44.72 44.66 1ic4 s GLY 4 CO 0.26 -0.07 1.04 -0.09 0.00 0.00 0.00 173.10 174.24 1ic4 h ARG 5 N -0.72 -0.64 -0.91 2.90 2.43 -1.98 0.16 114.38 115.63 1ic4 h ARG 5 Ca -0.45 0.04 0.02 0.00 -0.81 0.00 0.00 59.98 58.78 1ic4 h ARG 5 Cb 1.27 0.15 -0.05 0.00 -0.42 0.00 0.00 29.97 30.92 1ic4 h ARG 5 CO 0.64 -0.35 0.60 0.00 -1.51 0.00 0.00 179.97 179.35 1ic4 h GLU 7 N 1.19 0.79 -0.45 0.00 4.81 -1.93 -0.80 114.58 118.18 1ic4 h GLU 7 Ca 0.35 -0.16 -0.03 0.00 -0.13 0.00 0.00 59.36 59.39 1ic4 h GLU 7 Cb -0.07 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.17 1ic4 h GLU 7 CO -0.10 0.72 0.16 1.25 -0.73 0.00 0.00 179.01 180.31 1ic4 h LEU 8 N 0.70 0.63 -0.48 1.64 5.85 -0.10 -2.22 115.31 121.32 1ic4 h LEU 8 Ca 0.17 -0.19 0.09 0.00 0.84 0.00 0.00 57.88 58.79 1ic4 h LEU 8 Cb 0.24 -0.16 -0.07 0.00 0.37 0.00 0.00 40.66 41.04 1ic4 h LEU 8 CO -0.01 0.65 0.04 0.00 -0.34 0.00 0.00 178.44 178.78 1ic4 h ALA 9 N 1.01 0.49 -0.09 1.25 0.00 -0.16 -0.74 119.26 121.00 1ic4 h ALA 9 Ca 0.15 0.13 -0.14 0.00 0.00 0.00 0.00 54.91 55.04 1ic4 h ALA 9 Cb 0.23 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1ic4 h ALA 9 CO -0.01 -0.36 -0.57 0.00 0.00 0.00 0.00 179.25 178.31 1ic4 h ALA 10 N 1.41 0.85 0.19 0.00 0.00 -1.11 -2.40 119.26 118.19 1ic4 h ALA 10 Ca 0.24 -0.52 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 1ic4 h ALA 10 Cb 0.35 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1ic4 h ALA 10 CO -0.37 0.71 -0.09 0.00 0.00 0.00 0.00 179.25 179.50 1ic4 h ALA 11 N 1.17 -0.26 -0.72 0.00 0.00 -0.74 -0.85 119.26 117.85 1ic4 h ALA 11 Ca -0.00 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 54.85 1ic4 h ALA 11 Cb 1.08 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.93 1ic4 h ALA 11 CO 0.09 -0.60 0.47 0.52 0.00 0.00 0.00 179.25 179.73 1ic4 h MET 12 N -0.35 0.85 -0.57 0.00 2.86 -1.11 -0.17 114.93 116.43 1ic4 h MET 12 Ca -0.03 -0.05 -0.09 0.00 -2.06 0.00 0.00 59.70 57.47 1ic4 h MET 12 Cb 0.27 -0.19 -0.02 0.00 0.06 0.00 0.00 31.60 31.72 1ic4 h MET 12 CO 0.04 0.56 -0.02 -0.22 1.06 0.00 0.00 176.91 178.34 1ic4 h LYS 13 N 0.88 1.00 -0.26 1.72 3.64 -1.27 -1.58 116.57 120.71 1ic4 h LYS 13 Ca 0.28 -0.32 -0.07 0.00 -1.27 0.00 0.00 60.65 59.28 1ic4 h LYS 13 Cb 0.04 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.75 1ic4 h LYS 13 CO -0.08 0.99 -0.12 0.00 -2.27 0.00 0.00 179.45 177.97 1ic4 h ARG 14 N 0.92 0.44 -0.52 1.90 3.08 0.39 -2.31 114.38 118.28 1ic4 h ARG 14 Ca 0.16 -0.12 0.00 0.00 0.07 0.00 0.00 59.98 60.09 1ic4 h ARG 14 Cb 0.55 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.55 1ic4 h ARG 14 CO 0.03 0.56 0.00 0.72 -1.07 0.00 0.00 179.97 180.21 1ic4 n HIS 15 N -4.22 0.54 -2.00 3.04 8.25 -0.39 -4.92 115.22 115.53 1ic4 n HIS 15 Ca 0.00 -0.22 -0.08 0.00 -0.26 0.00 0.00 57.72 57.16 1ic4 n HIS 15 Cb 0.31 -0.11 -0.01 0.00 1.12 0.00 0.00 29.99 31.30 1ic4 n HIS 15 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ic4 n GLY 16 N 0.64 0.20 0.10 -1.41 0.00 -0.80 -4.97 105.19 98.95 1ic4 n GLY 16 Ca 0.10 -0.57 0.12 0.00 0.00 0.00 0.00 46.02 45.67 1ic4 n GLY 16 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ic4 n LEU 17 N -1.12 0.82 -4.69 0.99 4.77 -0.67 -4.59 117.00 112.50 1ic4 n LEU 17 Ca -0.09 -0.20 -0.42 0.00 -0.03 0.00 0.00 56.01 55.26 1ic4 n LEU 17 Cb 0.52 -0.16 -0.03 0.00 -2.33 0.00 0.00 43.42 41.42 1ic4 n LEU 17 CO 0.11 0.18 1.29 -0.62 -1.33 0.00 0.00 177.39 177.02 1ic4 s ASP 18 N -2.83 6.64 -1.47 -1.43 -1.08 -1.26 -3.48 116.67 111.75 1ic4 s ASP 18 Ca 0.14 2.44 -0.12 0.00 -0.52 0.00 0.00 52.55 54.49 1ic4 s ASP 18 Cb 0.18 -2.56 0.08 0.00 -1.46 0.00 0.00 42.92 39.15 1ic4 s ASP 18 CO 0.67 -0.86 0.78 0.59 0.52 0.00 0.00 175.17 176.88 1ic4 n ASN 19 N 5.47 -4.58 -4.65 -0.34 5.03 -0.44 -4.86 115.26 110.89 1ic4 n ASN 19 Ca 0.15 -0.62 -0.41 0.00 0.87 0.00 0.00 54.58 54.57 1ic4 n ASN 19 Cb 0.41 -3.70 -0.05 0.00 -1.02 0.00 0.00 39.78 35.42 1ic4 n ASN 19 CO 0.00 0.00 0.00 -0.47 -1.83 0.00 0.00 177.26 174.96 1ic4 s TYR 20 N -3.17 3.33 -1.69 3.10 5.04 -1.20 -4.16 117.35 118.61 1ic4 s TYR 20 Ca 0.55 1.08 -0.17 0.00 -2.44 0.00 0.00 57.07 56.08 1ic4 s TYR 20 Cb -0.28 -2.98 0.15 0.00 0.35 0.00 0.00 41.96 39.20 1ic4 s TYR 20 CO 0.68 -0.33 0.77 0.54 -1.34 0.00 0.00 175.55 175.86 1ic4 n ARG 21 N 5.71 -3.19 -0.75 4.97 5.12 -1.26 -1.96 116.66 125.28 1ic4 n ARG 21 Ca 0.03 0.38 0.00 0.00 -1.93 0.00 0.00 57.85 56.33 1ic4 n ARG 21 Cb 0.48 -5.06 0.00 0.00 -1.16 0.00 0.00 32.46 26.72 1ic4 n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1ic4 n GLY 22 N -1.45 0.84 3.44 -0.13 0.00 -1.26 -5.04 105.19 101.58 1ic4 n GLY 22 Ca 0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 1ic4 n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ic4 s TYR 23 N -3.26 3.05 0.78 1.61 2.02 -0.83 -4.99 117.35 115.74 1ic4 s TYR 23 Ca 0.00 -0.49 -0.11 0.00 -0.37 0.00 0.00 57.07 56.10 1ic4 s TYR 23 Cb 0.00 -2.15 0.06 0.00 -0.40 0.00 0.00 41.96 39.47 1ic4 s TYR 23 CO 0.00 -0.31 1.09 -1.54 -1.57 0.00 0.00 175.55 173.22 1ic4 s SER 24 N 1.28 4.64 0.23 2.29 1.04 -1.26 -1.33 113.70 120.59 1ic4 s SER 24 Ca 0.04 1.34 -0.13 0.00 0.48 0.00 0.00 55.95 57.68 1ic4 s SER 24 Cb -0.15 -2.09 0.30 0.00 0.10 0.00 0.00 66.02 64.18 1ic4 s SER 24 CO 0.02 -1.88 1.60 0.25 0.98 0.00 0.00 173.24 174.21 1ic4 h LEU 25 N -1.03 -0.78 -1.39 2.42 5.85 -1.90 -1.80 115.31 116.69 1ic4 h LEU 25 Ca -0.46 0.23 0.15 0.00 0.84 0.00 0.00 57.88 58.63 1ic4 h LEU 25 Cb 1.26 0.49 -0.06 0.00 0.37 0.00 0.00 40.66 42.72 1ic4 h LEU 25 CO 0.59 -0.26 0.55 1.23 -0.34 0.00 0.00 178.44 180.21 1ic4 h GLY 26 N -0.02 1.03 -0.02 3.75 0.00 -1.92 -1.16 103.07 104.73 1ic4 h GLY 26 Ca 0.35 -0.26 0.07 0.00 0.00 0.00 0.00 47.33 47.49 1ic4 h GLY 26 CO -0.78 0.08 -0.31 3.43 0.00 0.00 0.00 176.54 178.96 1ic4 h ASN 27 N 0.60 -1.00 -0.51 0.19 2.35 -1.52 -0.39 115.58 115.30 1ic4 h ASN 27 Ca 0.42 0.17 -0.05 0.00 -0.55 0.00 0.00 56.30 56.29 1ic4 h ASN 27 Cb 0.77 0.46 -0.03 0.00 0.05 0.00 0.00 38.32 39.57 1ic4 h ASN 27 CO -0.18 -0.32 0.14 -0.50 -1.65 0.00 0.00 177.43 174.92 1ic4 h TRP 28 N -0.29 0.88 -0.13 1.19 4.06 -1.35 -0.34 115.95 119.97 1ic4 h TRP 28 Ca 0.15 -0.08 -0.13 0.00 2.06 0.00 0.00 58.89 60.88 1ic4 h TRP 28 Cb 0.53 -0.26 0.00 0.00 -1.00 0.00 0.00 29.16 28.43 1ic4 h TRP 28 CO -0.47 0.74 -0.44 0.28 -3.56 0.00 0.00 178.44 174.98 1ic4 h VAL 29 N 0.83 1.36 -0.27 1.49 2.07 -1.20 -1.95 116.25 118.57 1ic4 h VAL 29 Ca 0.18 -1.73 0.00 0.00 0.82 0.00 0.00 66.70 65.97 1ic4 h VAL 29 Cb 0.29 2.09 -0.01 0.00 -1.52 0.00 0.00 31.29 32.14 1ic4 h VAL 29 CO -0.00 0.52 0.18 0.00 0.02 0.00 0.00 177.57 178.29 1ic4 h ALA 31 N 1.09 0.52 -0.25 0.00 0.00 -0.94 -1.94 119.26 117.75 1ic4 h ALA 31 Ca 0.10 0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.99 1ic4 h ALA 31 Cb -0.04 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1ic4 h ALA 31 CO -0.02 -0.29 -0.30 0.00 0.00 0.00 0.00 179.25 178.64 1ic4 h ALA 32 N 1.34 1.03 -0.16 0.00 0.00 -0.86 0.16 119.26 120.77 1ic4 h ALA 32 Ca 0.23 -0.37 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 1ic4 h ALA 32 Cb 0.28 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1ic4 h ALA 32 CO -0.28 0.59 0.10 -0.22 0.00 0.00 0.00 179.25 179.44 1ic4 h LYS 33 N 0.43 0.22 0.00 0.00 1.63 -0.83 -1.49 116.57 116.54 1ic4 h LYS 33 Ca 0.06 -0.02 -0.20 0.00 -0.85 0.00 0.00 60.65 59.64 1ic4 h LYS 33 Cb 0.74 -0.05 -0.03 0.00 -0.60 0.00 0.00 32.23 32.29 1ic4 h LYS 33 CO 0.06 0.19 -1.06 0.74 -3.45 0.00 0.00 179.45 175.93 1ic4 h PHE 34 N 0.19 0.00 -0.01 1.91 -1.00 -1.22 -1.69 116.94 115.11 1ic4 h PHE 34 Ca 0.06 0.00 -0.23 0.00 2.81 0.00 0.00 57.97 60.60 1ic4 h PHE 34 Cb 0.02 0.00 0.01 0.00 3.61 0.00 0.00 35.95 39.59 1ic4 h PHE 34 CO -0.05 0.85 -0.95 0.93 -1.61 0.00 0.00 178.31 177.48 1ic4 h GLU 35 N 0.00 0.51 0.00 1.51 4.39 -0.71 -3.42 114.58 116.86 1ic4 h GLU 35 Ca -0.07 -0.53 0.00 0.00 0.34 0.00 0.00 59.36 59.10 1ic4 h GLU 35 Cb 1.71 0.15 0.00 0.00 -0.10 0.00 0.00 28.75 30.51 1ic4 h GLU 35 CO 0.10 1.16 0.00 -1.13 -1.16 0.00 0.00 179.01 177.98 1ic4 n SER 36 N -3.79 0.00 -3.99 1.42 3.41 -0.60 -4.78 113.62 105.29 1ic4 n SER 36 Ca -0.08 -1.00 -0.30 0.00 -0.26 0.00 0.00 58.87 57.23 1ic4 n SER 36 Cb 0.83 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.79 1ic4 n SER 36 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1ic4 n ASN 37 N 0.00 -3.43 -1.47 4.04 5.15 -0.64 -1.59 115.26 117.32 1ic4 n ASN 37 Ca 0.00 -0.88 -0.17 0.00 -0.60 0.00 0.00 54.58 52.93 1ic4 n ASN 37 Cb 0.43 -3.48 -0.06 0.00 -0.53 0.00 0.00 39.78 36.15 1ic4 n ASN 37 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 1ic4 n PHE 38 N -4.52 -0.20 -3.59 1.20 3.72 -1.15 -4.78 117.46 108.14 1ic4 n PHE 38 Ca -0.03 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 56.98 1ic4 n PHE 38 Cb 0.55 -3.07 -0.11 0.00 -0.94 0.00 0.00 39.48 35.91 1ic4 n PHE 38 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1ic4 s ASN 39 N -2.68 5.86 0.51 4.37 3.84 -0.62 -0.08 114.94 126.14 1ic4 s ASN 39 Ca 0.00 -0.38 0.23 0.00 0.21 0.00 0.00 52.86 52.93 1ic4 s ASN 39 Cb 0.00 -2.08 1.38 0.00 -0.55 0.00 0.00 41.25 39.99 1ic4 s ASN 39 CO 0.00 -0.18 2.08 0.71 -2.79 0.00 0.00 177.10 176.92 1ic4 h THR 40 N 5.53 0.75 -0.43 -5.21 1.35 -1.55 -3.17 112.91 110.17 1ic4 h THR 40 Ca -0.32 -0.45 0.00 0.00 -0.55 0.00 0.00 66.41 65.09 1ic4 h THR 40 Cb 1.16 1.27 0.00 0.00 -1.73 0.00 0.00 68.15 68.85 1ic4 h THR 40 CO 0.61 0.11 0.00 0.00 -0.25 0.00 0.00 175.52 175.99 1ic4 n GLN 41 N -3.92 2.19 -1.92 4.72 1.13 -1.26 -3.87 117.38 114.45 1ic4 n GLN 41 Ca -0.02 -1.82 -0.41 0.00 -1.94 0.00 0.00 57.00 52.80 1ic4 n GLN 41 Cb 0.21 -1.43 -0.02 0.00 0.11 0.00 0.00 30.24 29.11 1ic4 n GLN 41 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1ic4 s ALA 42 N -1.43 3.63 0.00 -1.58 0.00 -1.20 -4.78 121.76 116.40 1ic4 s ALA 42 Ca 0.36 1.44 -0.01 0.00 0.00 0.00 0.00 51.96 53.75 1ic4 s ALA 42 Cb 0.19 -3.58 -0.00 0.00 0.00 0.00 0.00 23.12 19.73 1ic4 s ALA 42 CO 0.26 -0.86 0.00 0.95 0.00 0.00 0.00 175.76 176.11 1ic4 s THR 43 N -0.45 0.04 -0.06 0.00 -4.23 -1.26 -0.63 115.64 109.04 1ic4 s THR 43 Ca 0.57 -0.29 -0.00 0.00 -1.18 0.00 0.00 61.69 60.79 1ic4 s THR 43 Cb -0.44 -0.11 0.03 0.00 1.34 0.00 0.00 72.50 73.31 1ic4 s THR 43 CO 0.51 -0.16 -0.01 0.21 -0.54 0.00 0.00 174.62 174.63 1ic4 s ASN 44 N -0.47 1.20 -0.10 3.99 2.47 -0.85 -4.95 114.94 116.24 1ic4 s ASN 44 Ca -0.05 -0.08 -0.30 0.00 0.42 0.00 0.00 52.86 52.85 1ic4 s ASN 44 Cb -0.03 -0.40 -0.01 0.00 -1.45 0.00 0.00 41.25 39.36 1ic4 s ASN 44 CO -0.00 -0.14 1.02 -0.60 -3.72 0.00 0.00 177.10 173.65 1ic4 s ARG 45 N 1.53 4.43 0.44 0.43 3.52 -1.26 -1.49 118.95 126.55 1ic4 s ARG 45 Ca -0.02 1.41 -0.04 0.00 -0.13 0.00 0.00 55.73 56.96 1ic4 s ARG 45 Cb -0.13 -3.54 -0.04 0.00 -1.56 0.00 0.00 34.95 29.69 1ic4 s ARG 45 CO -0.03 -0.31 0.72 -0.80 -0.81 0.00 0.00 175.30 174.07 1ic4 s ASN 46 N 1.11 6.27 0.35 -2.12 0.01 0.48 -4.98 114.94 116.06 1ic4 s ASN 46 Ca 0.49 0.79 0.09 0.00 -0.71 0.00 0.00 52.86 53.51 1ic4 s ASN 46 Cb -0.19 -2.18 0.64 0.00 0.41 0.00 0.00 41.25 39.93 1ic4 s ASN 46 CO 0.19 -0.50 1.82 0.71 -1.51 0.00 0.00 177.10 177.81 1ic4 h THR 47 N 0.37 1.24 0.00 1.60 1.35 -1.95 -2.61 112.91 112.91 1ic4 h THR 47 Ca -0.48 -1.13 0.00 0.00 -0.55 0.00 0.00 66.41 64.26 1ic4 h THR 47 Cb 1.21 1.44 0.00 0.00 -1.73 0.00 0.00 68.15 69.07 1ic4 h THR 47 CO 0.62 0.34 0.00 -0.90 -0.25 0.00 0.00 175.52 175.33 1ic4 n ASP 48 N -4.16 0.00 0.00 5.36 3.85 -1.26 -4.82 116.55 115.52 1ic4 n ASP 48 Ca -0.01 0.33 0.00 0.00 -0.71 0.00 0.00 54.79 54.40 1ic4 n ASP 48 Cb 0.37 -0.42 0.00 0.00 -1.35 0.00 0.00 41.12 39.72 1ic4 n ASP 48 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1ic4 n GLY 49 N 0.03 0.62 3.93 6.12 0.00 -0.98 -4.94 105.19 109.97 1ic4 n GLY 49 Ca 0.05 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.86 1ic4 n GLY 49 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ic4 s SER 50 N -2.10 6.11 0.10 1.61 1.04 -1.26 -4.56 113.70 114.63 1ic4 s SER 50 Ca 0.00 -0.01 0.10 0.00 0.48 0.00 0.00 55.95 56.52 1ic4 s SER 50 Cb 0.00 -1.74 -0.03 0.00 0.10 0.00 0.00 66.02 64.34 1ic4 s SER 50 CO 0.00 -0.06 -0.25 -0.89 0.98 0.00 0.00 173.24 173.02 1ic4 s THR 51 N -2.01 2.07 -0.23 2.02 2.01 -1.26 0.18 115.64 118.43 1ic4 s THR 51 Ca 0.34 -1.58 -0.06 0.00 0.31 0.00 0.00 61.69 60.69 1ic4 s THR 51 Cb -0.09 -1.82 -0.03 0.00 0.01 0.00 0.00 72.50 70.57 1ic4 s THR 51 CO 0.28 0.14 0.04 -1.81 -0.69 0.00 0.00 174.62 172.57 1ic4 s ASP 52 N -1.76 5.00 0.03 3.53 -0.00 -0.56 -1.15 116.67 121.76 1ic4 s ASP 52 Ca 0.11 -0.20 0.05 0.00 -0.00 0.00 0.00 52.55 52.51 1ic4 s ASP 52 Cb -0.10 -1.88 -0.03 0.00 -0.00 0.00 0.00 42.92 40.91 1ic4 s ASP 52 CO 0.04 0.01 -0.09 -0.31 -0.00 0.00 0.00 175.17 174.82 1ic4 s TYR 53 N 1.32 2.80 0.00 4.23 2.02 0.10 -2.01 117.35 125.82 1ic4 s TYR 53 Ca 0.05 -0.10 0.00 0.00 -0.37 0.00 0.00 57.07 56.65 1ic4 s TYR 53 Cb -0.15 -1.55 0.00 0.00 -0.40 0.00 0.00 41.96 39.86 1ic4 s TYR 53 CO 0.02 0.36 0.00 0.41 -1.57 0.00 0.00 175.55 174.77 1ic4 n GLY 54 N 1.42 -1.58 0.32 0.71 0.00 0.20 -1.67 105.19 104.57 1ic4 n GLY 54 Ca -0.15 -1.27 0.18 0.00 0.00 0.00 0.00 46.02 44.78 1ic4 n GLY 54 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1ic4 h ILE 55 N 0.00 0.31 -0.04 -0.61 2.10 -1.67 -0.77 117.51 116.83 1ic4 h ILE 55 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 1ic4 h ILE 55 Cb 0.00 1.00 0.00 0.00 -1.09 0.00 0.00 36.82 36.73 1ic4 h ILE 55 CO 0.00 0.00 0.00 0.18 -1.08 0.00 0.00 178.15 177.25 1ic4 n LEU 56 N -3.54 2.40 -3.97 2.19 4.77 -1.26 -4.28 117.00 113.32 1ic4 n LEU 56 Ca -0.03 -2.67 -0.41 0.00 -0.03 0.00 0.00 56.01 52.87 1ic4 n LEU 56 Cb 0.08 -0.29 0.02 0.00 -2.33 0.00 0.00 43.42 40.90 1ic4 n LEU 56 CO 0.24 0.64 -0.16 0.00 -1.33 0.00 0.00 177.39 176.79 1ic4 n GLN 57 N -0.95 -0.57 -2.67 3.23 1.13 -0.30 -4.88 117.38 112.37 1ic4 n GLN 57 Ca 0.11 0.24 -0.42 0.00 -1.94 0.00 0.00 57.00 54.99 1ic4 n GLN 57 Cb 0.52 -2.75 -0.03 0.00 0.11 0.00 0.00 30.24 28.09 1ic4 n GLN 57 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1ic4 s ILE 58 N -3.43 4.74 0.03 5.09 1.01 -0.67 -4.48 121.20 123.48 1ic4 s ILE 58 Ca 0.42 2.00 -0.28 0.00 0.00 0.00 0.00 60.65 62.79 1ic4 s ILE 58 Cb -0.22 -4.29 -0.04 0.00 0.01 0.00 0.00 42.46 37.92 1ic4 s ILE 58 CO 0.94 0.03 0.88 0.21 0.00 0.00 0.00 174.94 177.01 1ic4 s ASN 59 N 1.11 7.30 0.12 3.58 2.47 -1.26 0.03 114.94 128.30 1ic4 s ASN 59 Ca 0.50 1.57 0.20 0.00 0.42 0.00 0.00 52.86 55.55 1ic4 s ASN 59 Cb -0.19 -2.53 0.83 0.00 -1.45 0.00 0.00 41.25 37.91 1ic4 s ASN 59 CO 0.20 -0.13 1.62 -1.54 -3.72 0.00 0.00 177.10 173.54 1ic4 n SER 60 N 3.37 0.33 0.02 -4.21 3.41 -0.30 -1.01 113.62 115.22 1ic4 n SER 60 Ca 0.02 0.57 -0.19 0.00 -0.26 0.00 0.00 58.87 59.02 1ic4 n SER 60 Cb 0.50 -0.64 -0.10 0.00 -0.26 0.00 0.00 64.21 63.71 1ic4 n SER 60 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1ic4 h ARG 61 N 0.00 0.63 0.00 4.33 2.43 -1.83 -3.41 114.38 116.52 1ic4 h ARG 61 Ca 0.00 -0.63 -0.22 0.00 -0.81 0.00 0.00 59.98 58.32 1ic4 h ARG 61 Cb 0.35 0.17 -0.04 0.00 -0.42 0.00 0.00 29.97 30.03 1ic4 h ARG 61 CO 0.00 1.24 -1.82 0.91 -1.51 0.00 0.00 179.97 178.79 1ic4 n TRP 62 N -3.99 0.00 -0.08 2.20 7.02 -1.14 -1.27 117.44 120.16 1ic4 n TRP 62 Ca -0.10 0.00 -0.12 0.00 -1.02 0.00 0.00 57.50 56.26 1ic4 n TRP 62 Cb 0.78 -0.57 -0.08 0.00 -2.42 0.00 0.00 31.31 29.03 1ic4 n TRP 62 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 1ic4 n TRP 63 N -2.71 0.00 -4.36 -5.99 7.02 -0.18 -0.54 117.44 110.69 1ic4 n TRP 63 Ca -0.23 0.00 -0.18 0.00 -1.02 0.00 0.00 57.50 56.07 1ic4 n TRP 63 Cb 0.82 -0.66 -0.10 0.00 -2.42 0.00 0.00 31.31 28.95 1ic4 n TRP 63 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1ic4 s ASN 65 N -3.34 4.54 0.00 0.00 2.47 0.01 -4.29 114.94 114.32 1ic4 s ASN 65 Ca 0.27 -0.34 0.12 0.00 0.42 0.00 0.00 52.86 53.33 1ic4 s ASN 65 Cb 0.04 -1.79 0.10 0.00 -1.45 0.00 0.00 41.25 38.15 1ic4 s ASN 65 CO 0.09 -0.02 0.88 -0.90 -3.72 0.00 0.00 177.10 173.43 1ic4 n ASP 66 N 4.81 2.00 -1.74 -4.21 5.75 -1.26 -0.24 116.55 121.65 1ic4 n ASP 66 Ca -0.18 -1.50 -0.16 0.00 -0.01 0.00 0.00 54.79 52.95 1ic4 n ASP 66 Cb 0.51 -0.01 -0.01 0.00 -1.03 0.00 0.00 41.12 40.58 1ic4 n ASP 66 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ic4 n GLY 67 N 0.65 -0.16 0.00 6.12 0.00 -1.26 -4.86 105.19 105.68 1ic4 n GLY 67 Ca 0.07 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.86 1ic4 n GLY 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ic4 n ARG 68 N -2.50 0.00 -4.45 1.61 1.74 -1.26 -5.09 116.66 106.71 1ic4 n ARG 68 Ca -0.18 -0.30 -0.33 0.00 -0.77 0.00 0.00 57.85 56.26 1ic4 n ARG 68 Cb 0.63 -0.34 -0.16 0.00 -1.02 0.00 0.00 32.46 31.58 1ic4 n ARG 68 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1ic4 s THR 69 N 0.00 2.49 0.00 0.55 2.01 -1.26 -4.91 115.64 114.51 1ic4 s THR 69 Ca 0.00 -0.82 0.00 0.00 0.31 0.00 0.00 61.69 61.18 1ic4 s THR 69 Cb 0.00 -2.04 0.00 0.00 0.01 0.00 0.00 72.50 70.47 1ic4 s THR 69 CO 0.00 0.52 0.42 -2.65 -0.69 0.00 0.00 174.62 172.22 1ic4 n PRO 70 N 4.20 0.00 -0.90 4.92 -0.02 -1.26 -2.98 135.00 138.95 1ic4 n PRO 70 Ca -0.19 0.23 -0.10 0.00 -2.02 0.00 0.00 63.50 61.41 1ic4 n PRO 70 Cb 0.51 -0.92 -0.13 0.00 -0.02 0.00 0.00 33.50 32.94 1ic4 n PRO 70 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ic4 n GLY 71 N -0.65 2.92 3.68 -1.23 0.00 -1.26 -4.92 105.19 103.74 1ic4 n GLY 71 Ca 0.00 -0.97 -0.42 0.00 0.00 0.00 0.00 46.02 44.63 1ic4 n GLY 71 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ic4 s SER 72 N 1.96 6.46 -0.01 1.61 0.15 -1.16 -4.78 113.70 117.93 1ic4 s SER 72 Ca 0.53 2.69 0.18 0.00 0.70 0.00 0.00 55.95 60.04 1ic4 s SER 72 Cb 0.25 -2.56 -0.23 0.00 -1.71 0.00 0.00 66.02 61.78 1ic4 s SER 72 CO -0.00 -1.00 0.58 0.54 1.20 0.00 0.00 173.24 174.56 1ic4 n ARG 73 N 6.21 0.90 -3.90 5.44 1.74 -0.40 -5.01 116.66 121.64 1ic4 n ARG 73 Ca 0.18 -0.08 -0.39 0.00 -0.77 0.00 0.00 57.85 56.80 1ic4 n ARG 73 Cb 0.39 -1.38 0.03 0.00 -1.02 0.00 0.00 32.46 30.48 1ic4 n ARG 73 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1ic4 n ASN 74 N -1.75 -4.70 0.23 0.55 4.05 -1.21 -4.84 115.26 107.59 1ic4 n ASN 74 Ca 0.00 -1.15 0.16 0.00 0.45 0.00 0.00 54.58 54.04 1ic4 n ASN 74 Cb 0.37 -2.30 0.65 0.00 1.23 0.00 0.00 39.78 39.72 1ic4 n ASN 74 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 177.26 174.14 1ic4 h LEU 75 N -2.10 0.00 -3.18 1.20 3.38 -0.67 -2.63 115.31 111.31 1ic4 h LEU 75 Ca -0.68 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.29 1ic4 h LEU 75 Cb 1.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.13 1ic4 h LEU 75 CO 0.49 0.00 0.00 0.00 0.09 0.00 0.00 178.44 179.02 1ic4 n ASN 77 N 0.74 -4.16 -3.66 0.00 3.02 -0.99 -4.95 115.26 105.25 1ic4 n ASN 77 Ca 0.24 -1.24 -0.13 0.00 -0.03 0.00 0.00 54.58 53.41 1ic4 n ASN 77 Cb 0.87 -1.56 -0.08 0.00 -0.61 0.00 0.00 39.78 38.40 1ic4 n ASN 77 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 1ic4 s ILE 78 N -3.45 -0.00 0.33 2.41 2.07 -1.26 -5.07 121.20 116.24 1ic4 s ILE 78 Ca 0.40 0.00 -0.29 0.00 -1.41 0.00 0.00 60.65 59.36 1ic4 s ILE 78 Cb -0.23 -0.86 -0.10 0.00 0.13 0.00 0.00 42.46 41.40 1ic4 s ILE 78 CO 0.95 0.00 1.38 -2.16 -1.91 0.00 0.00 174.94 173.21 1ic4 s PRO 79 N 0.47 4.27 0.43 3.50 0.04 -1.26 -0.81 135.00 141.64 1ic4 s PRO 79 Ca -0.01 2.34 0.16 0.00 0.04 0.00 0.00 61.00 63.53 1ic4 s PRO 79 Cb -0.05 -3.04 1.06 0.00 0.04 0.00 0.00 34.50 32.51 1ic4 s PRO 79 CO -0.01 -0.33 1.93 0.00 0.04 0.00 0.00 177.00 178.62 1ic4 h SER 81 N 0.40 0.03 0.60 0.00 4.64 -1.91 0.16 113.55 117.46 1ic4 h SER 81 Ca 0.36 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.67 1ic4 h SER 81 Cb 0.84 -0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 62.92 1ic4 h SER 81 CO -0.11 0.02 -0.07 0.00 -0.87 0.00 0.00 176.83 175.79 1ic4 h ALA 82 N 1.78 1.10 -0.01 5.18 0.00 -1.66 -2.59 119.26 123.06 1ic4 h ALA 82 Ca 0.21 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1ic4 h ALA 82 Cb 0.79 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1ic4 h ALA 82 CO -0.01 0.09 -0.17 1.28 0.00 0.00 0.00 179.25 180.44 1ic4 n LEU 83 N -3.32 0.88 -2.24 0.00 4.77 0.55 -4.23 117.00 113.41 1ic4 n LEU 83 Ca -0.01 -0.20 -0.27 0.00 -0.03 0.00 0.00 56.01 55.50 1ic4 n LEU 83 Cb 0.26 -0.13 0.04 0.00 -2.33 0.00 0.00 43.42 41.26 1ic4 n LEU 83 CO 0.28 0.16 1.39 0.18 -1.33 0.00 0.00 177.39 178.07 1ic4 n LEU 84 N -0.66 7.04 -4.59 2.23 4.32 -0.98 -4.22 117.00 120.15 1ic4 n LEU 84 Ca 0.14 -3.92 -0.25 0.00 -0.02 0.00 0.00 56.01 51.96 1ic4 n LEU 84 Cb 0.32 -1.05 -0.08 0.00 -1.62 0.00 0.00 43.42 40.98 1ic4 n LEU 84 CO 0.24 1.44 -0.38 -0.55 -1.22 0.00 0.00 177.39 176.91 1ic4 s SER 85 N -0.67 4.29 0.38 -1.43 0.15 -1.26 -4.78 113.70 110.38 1ic4 s SER 85 Ca 0.49 -0.68 0.18 0.00 0.70 0.00 0.00 55.95 56.65 1ic4 s SER 85 Cb 0.38 -0.71 0.72 0.00 -1.71 0.00 0.00 66.02 64.70 1ic4 s SER 85 CO -0.08 0.05 1.76 0.28 1.20 0.00 0.00 173.24 176.45 1ic4 h SER 86 N 2.34 0.00 -2.99 5.45 0.02 -1.93 -3.41 113.55 113.03 1ic4 h SER 86 Ca -0.45 0.00 -0.54 0.00 -0.84 0.00 0.00 61.79 59.96 1ic4 h SER 86 Cb 1.23 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.77 1ic4 h SER 86 CO 0.58 0.37 0.76 -0.62 -1.14 0.00 0.00 176.83 176.78 1ic4 s ASP 87 N -6.48 6.93 0.00 3.07 -1.08 -1.26 -4.92 116.67 112.93 1ic4 s ASP 87 Ca -0.00 2.04 0.28 0.00 -0.52 0.00 0.00 52.55 54.34 1ic4 s ASP 87 Cb 0.11 -2.56 1.11 0.00 -1.46 0.00 0.00 42.92 40.12 1ic4 s ASP 87 CO 0.69 -0.65 1.80 2.30 0.52 0.00 0.00 175.17 179.82 1ic4 n ILE 88 N 4.53 0.00 -0.28 4.11 -5.35 -1.26 -4.58 119.36 116.53 1ic4 n ILE 88 Ca 0.12 -0.04 -0.12 0.00 -0.27 0.00 0.00 62.75 62.44 1ic4 n ILE 88 Cb 0.44 -0.09 -0.09 0.00 -1.74 0.00 0.00 39.64 38.16 1ic4 n ILE 88 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1ic4 h THR 89 N 0.42 0.01 -0.41 7.28 2.02 -1.95 -0.01 112.91 120.26 1ic4 h THR 89 Ca 0.00 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.14 1ic4 h THR 89 Cb 0.41 0.01 -0.02 0.00 -1.74 0.00 0.00 68.15 66.80 1ic4 h THR 89 CO 0.00 0.00 0.08 0.00 0.37 0.00 0.00 175.52 175.97 1ic4 h ALA 90 N 0.30 1.38 -0.25 6.16 0.00 -1.86 -0.54 119.26 124.45 1ic4 h ALA 90 Ca 0.13 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1ic4 h ALA 90 Cb 0.51 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1ic4 h ALA 90 CO -0.77 0.44 0.06 0.77 0.00 0.00 0.00 179.25 179.75 1ic4 h SER 91 N 0.60 0.38 -0.48 0.00 0.02 -1.63 -2.05 113.55 110.40 1ic4 h SER 91 Ca 0.14 -0.24 -0.02 0.00 -0.84 0.00 0.00 61.79 60.83 1ic4 h SER 91 Cb 0.25 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 62.67 1ic4 h SER 91 CO -0.00 0.52 0.21 0.58 -1.14 0.00 0.00 176.83 177.00 1ic4 h VAL 92 N 0.23 1.20 -0.83 2.27 2.07 -0.87 -0.13 116.25 120.18 1ic4 h VAL 92 Ca 0.08 -0.59 0.04 0.00 0.82 0.00 0.00 66.70 67.04 1ic4 h VAL 92 Cb 0.29 0.70 -0.05 0.00 -1.52 0.00 0.00 31.29 30.71 1ic4 h VAL 92 CO 0.00 0.23 0.53 0.78 0.02 0.00 0.00 177.57 179.13 1ic4 h ASN 93 N 0.63 0.87 -0.22 0.57 2.35 -1.00 0.11 115.58 118.89 1ic4 h ASN 93 Ca 0.16 0.00 -0.21 0.00 -0.55 0.00 0.00 56.30 55.71 1ic4 h ASN 93 Cb 0.16 -0.19 0.01 0.00 0.05 0.00 0.00 38.32 38.35 1ic4 h ASN 93 CO -0.02 0.58 -0.67 0.00 -1.65 0.00 0.00 177.43 175.68 1ic4 h ALA 95 N 0.61 1.08 -0.22 0.00 0.00 -0.83 0.48 119.26 120.37 1ic4 h ALA 95 Ca -0.02 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1ic4 h ALA 95 Cb 1.29 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 1ic4 h ALA 95 CO 0.14 0.48 0.07 0.87 0.00 0.00 0.00 179.25 180.82 1ic4 h LYS 96 N 1.15 0.31 -0.01 0.00 1.57 -0.65 -1.34 116.57 117.60 1ic4 h LYS 96 Ca 0.31 -0.03 -0.07 0.00 -1.87 0.00 0.00 60.65 58.99 1ic4 h LYS 96 Cb -0.13 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.12 1ic4 h LYS 96 CO -0.07 0.27 -0.25 -0.22 -0.57 0.00 0.00 179.45 178.61 1ic4 h LYS 97 N 0.31 0.18 -0.62 3.15 3.64 -1.04 -3.14 116.57 119.05 1ic4 h LYS 97 Ca 0.08 -0.19 0.10 0.00 -1.27 0.00 0.00 60.65 59.37 1ic4 h LYS 97 Cb 0.09 0.05 -0.08 0.00 -0.41 0.00 0.00 32.23 31.89 1ic4 h LYS 97 CO -0.01 0.91 0.21 0.82 -2.27 0.00 0.00 179.45 179.12 1ic4 h ILE 98 N -0.47 0.74 0.00 2.00 2.04 -0.39 -2.70 117.51 118.73 1ic4 h ILE 98 Ca -0.03 -0.13 0.00 0.00 1.00 0.00 0.00 64.86 65.70 1ic4 h ILE 98 Cb 1.00 0.32 0.00 0.00 -0.74 0.00 0.00 36.82 37.40 1ic4 h ILE 98 CO 0.05 0.07 0.00 0.55 0.00 0.00 0.00 178.15 178.82 1ic4 n VAL 99 N -5.02 0.52 1.85 1.67 3.14 -0.56 -3.27 118.33 116.67 1ic4 n VAL 99 Ca 0.09 0.01 0.16 0.00 -2.96 0.00 0.00 64.34 61.64 1ic4 n VAL 99 Cb 0.29 -0.74 0.89 0.00 -1.06 0.00 0.00 33.84 33.22 1ic4 n VAL 99 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 1ic4 n SER 100 N -1.85 0.08 -4.88 6.55 7.64 -1.02 -4.25 113.62 115.89 1ic4 n SER 100 Ca 0.05 -0.85 -0.30 0.00 1.01 0.00 0.00 58.87 58.79 1ic4 n SER 100 Cb 0.31 -0.06 -0.02 0.00 -1.01 0.00 0.00 64.21 63.44 1ic4 n SER 100 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1ic4 s ASP 101 N -2.12 6.43 0.64 6.43 2.15 -1.20 -4.99 116.67 124.01 1ic4 s ASP 101 Ca 0.43 1.12 0.39 0.00 0.43 0.00 0.00 52.55 54.92 1ic4 s ASP 101 Cb 0.22 -2.32 2.14 0.00 -0.30 0.00 0.00 42.92 42.65 1ic4 s ASP 101 CO 0.39 -0.50 2.20 1.23 -0.17 0.00 0.00 175.17 178.32 1ic4 h GLY 102 N 0.80 0.00 2.00 2.66 0.00 -1.90 -1.41 103.07 105.22 1ic4 h GLY 102 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.86 1ic4 h GLY 102 CO 0.63 0.00 0.00 3.43 0.00 0.00 0.00 176.54 180.60 1ic4 h ASN 103 N 0.00 0.00 0.00 0.19 2.35 -1.90 -3.48 115.58 112.74 1ic4 h ASN 103 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1ic4 h ASN 103 Cb 0.19 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.56 1ic4 h ASN 103 CO 0.00 0.00 0.00 0.61 -1.65 0.00 0.00 177.43 176.39 1ic4 n GLY 104 N 0.80 3.20 0.08 2.83 0.00 -0.53 -1.32 105.19 110.25 1ic4 n GLY 104 Ca 0.03 -0.23 0.11 0.00 0.00 0.00 0.00 46.02 45.94 1ic4 n GLY 104 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1ic4 n MET 105 N 13.87 0.15 0.32 1.61 2.81 -1.26 -3.18 117.12 131.43 1ic4 n MET 105 Ca 0.00 0.29 0.19 0.00 -1.81 0.00 0.00 57.70 56.38 1ic4 n MET 105 Cb 0.00 -1.74 1.07 0.00 -0.71 0.00 0.00 33.22 31.84 1ic4 n MET 105 CO 0.00 0.00 0.00 -0.91 1.51 0.00 0.00 175.97 176.57 1ic4 h ASN 106 N 0.00 0.00 -1.05 7.83 2.35 -1.61 -0.74 115.58 122.37 1ic4 h ASN 106 Ca 0.00 0.00 0.28 0.00 -0.55 0.00 0.00 56.30 56.03 1ic4 h ASN 106 Cb 0.45 0.00 -0.07 0.00 0.05 0.00 0.00 38.32 38.74 1ic4 h ASN 106 CO 0.00 0.00 0.71 0.00 -1.65 0.00 0.00 177.43 176.49 1ic4 h ALA 107 N 1.99 2.53 -1.92 -0.83 0.00 -1.71 -3.37 119.26 115.95 1ic4 h ALA 107 Ca 0.00 0.02 -0.62 0.00 0.00 0.00 0.00 54.91 54.31 1ic4 h ALA 107 Cb 0.01 0.05 -0.13 0.00 0.00 0.00 0.00 17.79 17.72 1ic4 h ALA 107 CO -0.00 -0.89 0.47 -1.58 0.00 0.00 0.00 179.25 177.24 1ic4 s TRP 108 N -5.29 2.89 0.22 0.00 0.51 -0.28 -4.96 118.94 112.03 1ic4 s TRP 108 Ca -0.07 0.07 -0.08 0.00 -2.12 0.00 0.00 56.10 53.90 1ic4 s TRP 108 Cb 0.24 -3.89 0.18 0.00 -0.81 0.00 0.00 33.47 29.19 1ic4 s TRP 108 CO 0.80 -1.17 1.82 0.28 -0.51 0.00 0.00 176.95 178.16 1ic4 h VAL 109 N 6.01 1.25 -0.67 4.03 2.07 -1.86 -1.40 116.25 125.68 1ic4 h VAL 109 Ca -0.25 -0.70 -0.07 0.00 0.82 0.00 0.00 66.70 66.50 1ic4 h VAL 109 Cb 1.08 0.18 -0.03 0.00 -1.52 0.00 0.00 31.29 31.00 1ic4 h VAL 109 CO 1.03 0.30 0.15 0.00 0.02 0.00 0.00 177.57 179.07 1ic4 h ALA 110 N 1.22 0.99 -0.47 1.67 0.00 -1.93 0.99 119.26 121.74 1ic4 h ALA 110 Ca 0.29 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 1ic4 h ALA 110 Cb 0.10 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1ic4 h ALA 110 CO -0.04 0.65 0.08 2.35 0.00 0.00 0.00 179.25 182.28 1ic4 h TRP 111 N 1.01 0.84 -0.51 0.00 7.01 -1.80 0.76 115.95 123.26 1ic4 h TRP 111 Ca 0.21 -0.12 -0.01 0.00 2.11 0.00 0.00 58.89 61.08 1ic4 h TRP 111 Cb 0.38 -0.23 -0.02 0.00 -2.10 0.00 0.00 29.16 27.19 1ic4 h TRP 111 CO 0.03 0.78 0.29 -0.09 -2.79 0.00 0.00 178.44 176.65 1ic4 h ARG 112 N 0.65 0.71 0.00 2.65 2.43 -0.61 0.61 114.38 120.82 1ic4 h ARG 112 Ca 0.14 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 1ic4 h ARG 112 Cb 0.39 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.80 1ic4 h ARG 112 CO 0.01 0.54 -0.50 0.09 -1.51 0.00 0.00 179.97 178.60 1ic4 n ASN 113 N -4.66 0.56 0.00 -3.80 5.03 0.28 -4.15 115.26 108.53 1ic4 n ASN 113 Ca 0.02 0.03 0.00 0.00 0.87 0.00 0.00 54.58 55.50 1ic4 n ASN 113 Cb 0.08 0.10 0.00 0.00 -1.02 0.00 0.00 39.78 38.94 1ic4 n ASN 113 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 1ic4 n ARG 114 N -1.82 3.77 -0.02 3.52 3.00 0.26 -4.92 116.66 120.45 1ic4 n ARG 114 Ca 0.05 -0.03 -0.03 0.00 -0.01 0.00 0.00 57.85 57.83 1ic4 n ARG 114 Cb 0.39 -0.36 -0.01 0.00 0.00 0.00 0.00 32.46 32.47 1ic4 n ARG 114 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1ic4 s LYS 116 N -2.06 4.20 0.00 0.00 2.20 -0.46 -2.14 119.74 121.49 1ic4 s LYS 116 Ca -0.04 2.27 0.00 0.00 -0.36 0.00 0.00 55.97 57.83 1ic4 s LYS 116 Cb 0.01 -3.69 0.00 0.00 -1.51 0.00 0.00 37.83 32.64 1ic4 s LYS 116 CO 0.06 -0.74 0.00 0.41 -0.36 0.00 0.00 175.35 174.72 1ic4 n GLY 117 N 4.00 0.81 3.71 5.54 0.00 -1.26 -4.95 105.19 113.03 1ic4 n GLY 117 Ca 0.16 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.95 1ic4 n GLY 117 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ic4 s THR 118 N -2.14 3.21 -1.11 2.61 2.01 -0.91 -5.02 115.64 114.29 1ic4 s THR 118 Ca 0.00 -1.75 -0.22 0.00 0.31 0.00 0.00 61.69 60.04 1ic4 s THR 118 Cb 0.00 -2.96 0.01 0.00 0.01 0.00 0.00 72.50 69.56 1ic4 s THR 118 CO 0.00 -0.24 1.73 -0.62 -0.69 0.00 0.00 174.62 174.79 1ic4 s ASP 119 N -3.79 6.05 0.31 3.53 2.15 -1.26 -4.79 116.67 118.86 1ic4 s ASP 119 Ca 0.36 -1.63 0.25 0.00 0.43 0.00 0.00 52.55 51.96 1ic4 s ASP 119 Cb -0.04 -2.57 1.06 0.00 -0.30 0.00 0.00 42.92 41.07 1ic4 s ASP 119 CO 0.22 -1.95 1.76 -0.37 -0.17 0.00 0.00 175.17 174.66 1ic4 h VAL 120 N 6.41 0.00 0.00 1.11 -1.51 -1.92 -2.10 116.25 118.25 1ic4 h VAL 120 Ca 0.26 -0.28 0.00 0.00 -1.23 0.00 0.00 66.70 65.45 1ic4 h VAL 120 Cb 0.95 1.05 0.00 0.00 -2.13 0.00 0.00 31.29 31.17 1ic4 h VAL 120 CO 1.36 0.00 0.00 1.67 -1.23 0.00 0.00 177.57 179.37 1ic4 n GLN 121 N -2.40 0.20 0.15 5.19 -0.06 -1.26 -1.65 117.38 117.55 1ic4 n GLN 121 Ca 0.02 0.08 0.02 0.00 -2.00 0.00 0.00 57.00 55.12 1ic4 n GLN 121 Cb 0.24 -1.50 0.38 0.00 -4.06 0.00 0.00 30.24 25.30 1ic4 n GLN 121 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1ic4 h ALA 122 N 2.97 1.46 0.00 1.69 0.00 -1.77 -2.81 119.26 120.80 1ic4 h ALA 122 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1ic4 h ALA 122 Cb 0.29 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1ic4 h ALA 122 CO 0.00 0.39 0.00 -1.49 0.00 0.00 0.00 179.25 178.15 1ic4 h TRP 123 N 0.14 0.00 -0.17 0.00 4.06 -1.54 -2.23 115.95 116.20 1ic4 h TRP 123 Ca 0.02 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.97 1ic4 h TRP 123 Cb 0.49 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.65 1ic4 h TRP 123 CO 0.00 0.00 0.00 0.44 -3.56 0.00 0.00 178.44 175.32 1ic4 n ILE 124 N -2.72 0.62 -2.62 1.49 -6.64 -1.07 -4.80 119.36 103.62 1ic4 n ILE 124 Ca -0.00 -0.81 -0.33 0.00 -1.77 0.00 0.00 62.75 59.83 1ic4 n ILE 124 Cb 0.17 0.76 -0.05 0.00 -1.44 0.00 0.00 39.64 39.08 1ic4 n ILE 124 CO 0.00 0.00 0.00 -0.60 -1.77 0.00 0.00 176.55 174.18 1ic4 s ARG 125 N -0.90 4.02 -1.03 6.28 3.52 -0.84 -3.79 118.95 126.20 1ic4 s ARG 125 Ca 0.15 1.15 -0.02 0.00 -0.13 0.00 0.00 55.73 56.89 1ic4 s ARG 125 Cb 0.09 -2.14 0.00 0.00 -1.56 0.00 0.00 34.95 31.34 1ic4 s ARG 125 CO 0.12 -0.22 0.22 0.41 -0.81 0.00 0.00 175.30 175.01 1ic4 n GLY 126 N -0.75 -0.11 3.05 8.12 0.00 -1.26 -5.03 105.19 109.21 1ic4 n GLY 126 Ca 0.08 -0.27 -0.17 0.00 0.00 0.00 0.00 46.02 45.66 1ic4 n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ic4 s ARG 128 N -0.82 3.75 0.00 0.00 0.52 -1.26 -5.14 118.95 115.99 1ic4 s ARG 128 Ca -0.01 0.03 0.00 0.00 -0.52 0.00 0.00 55.73 55.23 1ic4 s ARG 128 Cb -0.06 -3.77 0.00 0.00 0.52 0.00 0.00 34.95 31.64 1ic4 s ARG 128 CO 0.00 -0.61 0.34 1.47 0.02 0.00 0.00 175.30 176.52