#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ic5 n ALA 0 N 0.00 0.30 0.00 5.20 0.00 -1.26 -4.98 120.51 119.76 3ic5 n ALA 0 Ca 0.00 -1.82 0.00 0.00 0.00 0.00 0.00 53.44 51.62 3ic5 n ALA 0 Cb 0.00 -3.00 0.00 0.00 0.00 0.00 0.00 19.45 16.45 3ic5 n ALA 0 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3ic5 n ARG 2 N 7.83 0.00 -2.28 0.00 1.74 -1.26 -5.12 116.66 117.58 3ic5 n ARG 2 Ca 0.40 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 57.06 3ic5 n ARG 2 Cb 0.45 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.86 3ic5 n ARG 2 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 3ic5 s TRP 3 N -2.59 3.13 -0.35 -1.55 0.23 -0.32 -4.78 118.94 112.70 3ic5 s TRP 3 Ca 0.00 1.01 -0.15 0.00 -2.03 0.00 0.00 56.10 54.93 3ic5 s TRP 3 Cb 0.00 -3.59 -0.01 0.00 0.03 0.00 0.00 33.47 29.90 3ic5 s TRP 3 CO 0.00 -2.05 0.32 1.21 0.96 0.00 0.00 176.95 177.39 3ic5 s ASN 4 N 1.44 6.13 -0.06 2.95 2.47 -1.26 -0.19 114.94 126.41 3ic5 s ASN 4 Ca 0.62 -0.40 0.03 0.00 0.42 0.00 0.00 52.86 53.53 3ic5 s ASN 4 Cb -0.32 -2.17 -0.03 0.00 -1.45 0.00 0.00 41.25 37.28 3ic5 s ASN 4 CO 0.28 -0.33 -0.13 -0.63 -3.72 0.00 0.00 177.10 172.56 3ic5 s ILE 5 N 1.89 3.16 -0.17 -5.21 -1.09 1.00 -0.09 121.20 120.70 3ic5 s ILE 5 Ca 0.09 -0.68 -0.01 0.00 -2.23 0.00 0.00 60.65 57.82 3ic5 s ILE 5 Cb -0.17 -2.26 -0.00 0.00 -1.58 0.00 0.00 42.46 38.45 3ic5 s ILE 5 CO 0.11 0.58 -0.12 0.00 -1.23 0.00 0.00 174.94 174.28 3ic5 s VAL 7 N 0.91 5.16 -0.34 0.00 1.01 0.68 -0.42 120.40 127.41 3ic5 s VAL 7 Ca -0.03 0.12 -0.12 0.00 0.00 0.00 0.00 61.98 61.95 3ic5 s VAL 7 Cb -0.15 -3.43 -0.01 0.00 0.00 0.00 0.00 36.38 32.79 3ic5 s VAL 7 CO -0.01 0.30 0.21 -0.69 0.00 0.00 0.00 175.10 174.91 3ic5 s VAL 8 N 1.45 4.97 0.00 2.92 1.01 0.15 -0.21 120.40 130.70 3ic5 s VAL 8 Ca 0.07 -0.36 0.00 0.00 0.00 0.00 0.00 61.98 61.68 3ic5 s VAL 8 Cb -0.15 -3.58 0.00 0.00 0.00 0.00 0.00 36.38 32.65 3ic5 s VAL 8 CO 0.07 -0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.77 3ic5 n GLY 9 N 5.05 2.72 1.85 4.51 0.00 0.95 0.32 105.19 120.60 3ic5 n GLY 9 Ca -0.13 -1.10 -0.06 0.00 0.00 0.00 0.00 46.02 44.73 3ic5 n GLY 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ic5 n ALA 10 N 0.89 4.51 -1.14 4.61 0.00 -1.26 -4.16 120.51 123.96 3ic5 n ALA 10 Ca 0.00 -2.46 0.00 0.00 0.00 0.00 0.00 53.44 50.98 3ic5 n ALA 10 Cb 0.00 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 18.28 3ic5 n ALA 10 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ic5 n GLY 11 N -0.35 -0.46 0.16 0.00 0.00 -1.26 -4.57 105.19 98.71 3ic5 n GLY 11 Ca 0.40 -1.69 -0.10 0.00 0.00 0.00 0.00 46.02 44.63 3ic5 n GLY 11 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3ic5 h LYS 12 N 0.00 -0.16 -0.32 1.61 3.64 -1.92 0.69 116.57 120.12 3ic5 h LYS 12 Ca 0.00 0.01 -0.11 0.00 -1.27 0.00 0.00 60.65 59.28 3ic5 h LYS 12 Cb 0.00 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.84 3ic5 h LYS 12 CO 0.00 -0.11 -0.27 0.82 -2.27 0.00 0.00 179.45 177.63 3ic5 h ILE 13 N -0.16 1.28 -0.43 2.00 2.04 -1.90 -2.24 117.51 118.09 3ic5 h ILE 13 Ca 0.06 -1.36 0.05 0.00 1.00 0.00 0.00 64.86 64.61 3ic5 h ILE 13 Cb 0.25 1.32 -0.05 0.00 -0.74 0.00 0.00 36.82 37.61 3ic5 h ILE 13 CO -0.16 0.44 0.17 1.23 0.00 0.00 0.00 178.15 179.83 3ic5 h GLY 14 N 1.00 0.57 -1.47 5.37 0.00 -1.54 -0.09 103.07 106.91 3ic5 h GLY 14 Ca 0.07 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.30 3ic5 h GLY 14 CO 0.06 0.04 0.00 -1.06 0.00 0.00 0.00 176.54 175.58 3ic5 n GLN 15 N -4.99 0.16 0.00 4.80 6.02 0.17 -1.03 117.38 122.52 3ic5 n GLN 15 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.02 3ic5 n GLN 15 Cb 0.15 -1.24 0.00 0.00 1.02 0.00 0.00 30.24 30.17 3ic5 n GLN 15 CO 0.00 0.00 0.00 1.51 -1.01 0.00 0.00 177.06 177.56 3ic5 n ILE 17 N 0.66 0.00 -0.15 5.09 0.13 -0.05 -1.58 119.36 123.46 3ic5 n ILE 17 Ca 0.00 0.00 -0.03 0.00 -1.10 0.00 0.00 62.75 61.62 3ic5 n ILE 17 Cb 0.06 0.00 0.06 0.00 -0.84 0.00 0.00 39.64 38.92 3ic5 n ILE 17 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 3ic5 h ALA 18 N 0.00 0.56 -0.32 1.51 0.00 -1.30 -0.97 119.26 118.74 3ic5 h ALA 18 Ca 0.00 0.08 -0.14 0.00 0.00 0.00 0.00 54.91 54.85 3ic5 h ALA 18 Cb 0.00 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3ic5 h ALA 18 CO 0.00 -0.27 -0.37 0.00 0.00 0.00 0.00 179.25 178.60 3ic5 h ALA 19 N 1.35 0.75 0.17 0.00 0.00 -1.54 0.14 119.26 120.12 3ic5 h ALA 19 Ca 0.23 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3ic5 h ALA 19 Cb 0.28 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3ic5 h ALA 19 CO -0.28 0.66 -0.16 1.25 0.00 0.00 0.00 179.25 180.72 3ic5 h LEU 20 N 0.61 -0.43 -0.38 0.00 5.85 -1.77 -1.94 115.31 117.25 3ic5 h LEU 20 Ca 0.06 0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.79 3ic5 h LEU 20 Cb 0.91 0.15 -0.02 0.00 0.37 0.00 0.00 40.66 42.07 3ic5 h LEU 20 CO 0.08 -0.25 0.12 -0.07 -0.34 0.00 0.00 178.44 177.99 3ic5 h LEU 21 N -0.36 0.56 -0.87 2.25 3.38 -1.01 -2.32 115.31 116.94 3ic5 h LEU 21 Ca 0.00 -0.20 0.14 0.00 0.09 0.00 0.00 57.88 57.90 3ic5 h LEU 21 Cb 0.33 -0.15 -0.09 0.00 0.09 0.00 0.00 40.66 40.85 3ic5 h LEU 21 CO -0.04 0.61 0.48 0.50 0.09 0.00 0.00 178.44 180.08 3ic5 h LYS 22 N 0.47 0.69 0.00 1.13 3.64 -0.65 -1.42 116.57 120.44 3ic5 h LYS 22 Ca 0.12 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 3ic5 h LYS 22 Cb 0.25 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 31.92 3ic5 h LYS 22 CO -0.00 0.46 0.00 1.79 -2.27 0.00 0.00 179.45 179.42 3ic5 h THR 23 N 0.71 0.00 -4.32 1.00 1.35 -0.82 -3.46 112.91 107.37 3ic5 h THR 23 Ca 0.46 -0.60 -0.51 0.00 -0.55 0.00 0.00 66.41 65.22 3ic5 h THR 23 Cb 0.60 1.54 0.08 0.00 -1.73 0.00 0.00 68.15 68.63 3ic5 h THR 23 CO -0.33 0.00 0.39 -0.94 -0.25 0.00 0.00 175.52 174.39 3ic5 s SER 24 N -5.29 5.76 0.24 5.36 1.04 -0.53 -4.97 113.70 115.32 3ic5 s SER 24 Ca 0.06 1.58 0.18 0.00 0.48 0.00 0.00 55.95 58.25 3ic5 s SER 24 Cb 0.09 -2.49 0.05 0.00 0.10 0.00 0.00 66.02 63.76 3ic5 s SER 24 CO 0.56 -1.18 1.26 0.77 0.98 0.00 0.00 173.24 175.63 3ic5 h SER 25 N -0.34 0.00 -0.35 7.02 4.64 -1.89 -3.37 113.55 119.25 3ic5 h SER 25 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 3ic5 h SER 25 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 3ic5 h SER 25 CO 0.59 0.36 0.00 0.59 -0.87 0.00 0.00 176.83 177.49 3ic5 n ASN 26 N -3.04 3.12 -4.12 4.97 3.02 -1.26 -4.87 115.26 113.09 3ic5 n ASN 26 Ca -0.01 -1.90 -0.16 0.00 -0.03 0.00 0.00 54.58 52.48 3ic5 n ASN 26 Cb 0.70 -0.23 -0.12 0.00 -0.61 0.00 0.00 39.78 39.52 3ic5 n ASN 26 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3ic5 s TYR 27 N -1.20 0.95 0.05 3.10 1.51 -1.26 -1.18 117.35 119.32 3ic5 s TYR 27 Ca 0.31 -0.48 0.09 0.00 -1.01 0.00 0.00 57.07 55.99 3ic5 s TYR 27 Cb 0.18 -0.55 -0.03 0.00 -0.11 0.00 0.00 41.96 41.45 3ic5 s TYR 27 CO 0.25 -0.01 -0.26 -1.12 -1.11 0.00 0.00 175.55 173.29 3ic5 s SER 28 N -1.66 3.16 -0.01 2.29 0.01 0.74 -4.79 113.70 113.44 3ic5 s SER 28 Ca -0.06 -0.59 0.02 0.00 1.31 0.00 0.00 55.95 56.63 3ic5 s SER 28 Cb -0.10 -0.28 -0.00 0.00 0.21 0.00 0.00 66.02 65.84 3ic5 s SER 28 CO 0.01 0.26 -0.07 0.54 0.41 0.00 0.00 173.24 174.39 3ic5 s VAL 29 N -0.81 0.59 -0.01 3.43 0.11 -1.26 -0.00 120.40 122.45 3ic5 s VAL 29 Ca 0.12 -0.30 0.06 0.00 -2.93 0.00 0.00 61.98 58.92 3ic5 s VAL 29 Cb -0.10 -0.51 -0.02 0.00 -1.53 0.00 0.00 36.38 34.22 3ic5 s VAL 29 CO 0.02 0.18 -0.19 -0.89 -3.33 0.00 0.00 175.10 170.89 3ic5 s THR 30 N -0.06 1.50 -0.14 5.04 2.01 -0.40 -4.12 115.64 119.46 3ic5 s THR 30 Ca 0.01 -0.83 -0.02 0.00 0.31 0.00 0.00 61.69 61.17 3ic5 s THR 30 Cb -0.04 -1.25 -0.02 0.00 0.01 0.00 0.00 72.50 71.20 3ic5 s THR 30 CO -0.00 0.41 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.55 3ic5 s VAL 31 N -0.47 3.34 -0.12 3.82 1.01 -0.01 -0.23 120.40 127.75 3ic5 s VAL 31 Ca 0.07 -0.55 -0.01 0.00 0.00 0.00 0.00 61.98 61.49 3ic5 s VAL 31 Cb -0.07 -2.43 -0.03 0.00 0.00 0.00 0.00 36.38 33.85 3ic5 s VAL 31 CO -0.01 0.51 -0.07 0.00 0.00 0.00 0.00 175.10 175.53 3ic5 s ALA 32 N 0.43 2.91 0.17 5.51 0.00 0.71 -1.62 121.76 129.86 3ic5 s ALA 32 Ca -0.08 -0.86 -0.18 0.00 0.00 0.00 0.00 51.96 50.84 3ic5 s ALA 32 Cb -0.15 -1.35 0.04 0.00 0.00 0.00 0.00 23.12 21.65 3ic5 s ALA 32 CO 0.04 0.36 0.49 0.34 0.00 0.00 0.00 175.76 176.99 3ic5 s ASP 33 N -0.09 -0.30 0.32 0.00 -1.08 -0.93 -0.04 116.67 114.55 3ic5 s ASP 33 Ca 0.01 -0.35 0.23 0.00 -0.52 0.00 0.00 52.55 51.92 3ic5 s ASP 33 Cb -0.13 0.55 0.30 0.00 -1.46 0.00 0.00 42.92 42.17 3ic5 s ASP 33 CO 0.03 -0.97 1.44 1.12 0.52 0.00 0.00 175.17 177.31 3ic5 h HIS 34 N 2.23 0.00 -3.59 -5.34 2.07 -1.87 -1.81 115.15 106.84 3ic5 h HIS 34 Ca -0.31 0.00 -0.69 0.00 -2.85 0.00 0.00 60.37 56.51 3ic5 h HIS 34 Cb 1.27 0.00 -0.19 0.00 2.57 0.00 0.00 27.41 31.06 3ic5 h HIS 34 CO 0.32 0.00 -0.34 0.34 -3.07 0.00 0.00 177.93 175.18 3ic5 s ASP 35 N -5.60 6.14 0.34 3.10 -1.08 -1.26 -4.84 116.67 113.47 3ic5 s ASP 35 Ca 0.05 -0.60 0.09 0.00 -0.52 0.00 0.00 52.55 51.58 3ic5 s ASP 35 Cb 0.08 -2.18 0.60 0.00 -1.46 0.00 0.00 42.92 39.95 3ic5 s ASP 35 CO 0.70 -0.42 1.78 -0.07 0.52 0.00 0.00 175.17 177.67 3ic5 h LEU 36 N 8.75 0.15 -0.29 -1.34 3.38 -1.99 -1.51 115.31 122.46 3ic5 h LEU 36 Ca -0.28 -0.05 -0.08 0.00 0.09 0.00 0.00 57.88 57.55 3ic5 h LEU 36 Cb 1.13 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.83 3ic5 h LEU 36 CO 0.72 0.50 -0.15 0.00 0.09 0.00 0.00 178.44 179.61 3ic5 h ALA 37 N 1.51 0.41 -0.92 1.53 0.00 -2.00 -1.33 119.26 118.46 3ic5 h ALA 37 Ca 0.01 -0.33 0.12 0.00 0.00 0.00 0.00 54.91 54.71 3ic5 h ALA 37 Cb 0.70 -0.10 -0.08 0.00 0.00 0.00 0.00 17.79 18.31 3ic5 h ALA 37 CO 0.05 0.30 0.55 0.00 0.00 0.00 0.00 179.25 180.15 3ic5 h ALA 38 N 0.75 1.38 -0.37 0.00 0.00 -1.87 -1.85 119.26 117.29 3ic5 h ALA 38 Ca 0.06 0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.87 3ic5 h ALA 38 Cb 0.67 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 3ic5 h ALA 38 CO 0.04 0.12 -0.33 -0.07 0.00 0.00 0.00 179.25 179.02 3ic5 h LEU 39 N 0.86 0.89 -0.67 0.00 3.38 -1.05 -3.05 115.31 115.67 3ic5 h LEU 39 Ca 0.46 -0.38 0.14 0.00 0.09 0.00 0.00 57.88 58.20 3ic5 h LEU 39 Cb 0.49 -0.25 -0.10 0.00 0.09 0.00 0.00 40.66 40.89 3ic5 h LEU 39 CO -0.28 1.13 0.11 0.00 0.09 0.00 0.00 178.44 179.50 3ic5 h ALA 40 N 0.91 0.79 -0.59 1.53 0.00 -0.40 0.38 119.26 121.89 3ic5 h ALA 40 Ca 0.07 0.16 0.07 0.00 0.00 0.00 0.00 54.91 55.21 3ic5 h ALA 40 Cb 0.89 0.24 -0.10 0.00 0.00 0.00 0.00 17.79 18.83 3ic5 h ALA 40 CO 0.08 -0.34 -0.55 0.28 0.00 0.00 0.00 179.25 178.72 3ic5 h VAL 41 N 0.22 0.01 -0.95 0.00 2.07 -1.38 0.52 116.25 116.75 3ic5 h VAL 41 Ca 0.36 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.99 3ic5 h VAL 41 Cb 0.59 0.01 -0.07 0.00 -1.52 0.00 0.00 31.29 30.30 3ic5 h VAL 41 CO -0.49 0.00 0.61 -0.07 0.02 0.00 0.00 177.57 177.64 3ic5 h LEU 42 N -0.27 0.86 -1.37 2.57 -0.00 -1.08 -0.41 115.31 115.61 3ic5 h LEU 42 Ca 0.11 0.03 -0.05 0.00 -0.00 0.00 0.00 57.88 57.98 3ic5 h LEU 42 Cb 0.55 -0.14 -0.01 0.00 -0.00 0.00 0.00 40.66 41.05 3ic5 h LEU 42 CO -0.70 0.48 -0.11 0.78 -0.00 0.00 0.00 178.44 178.90 3ic5 h ASN 43 N 0.94 0.27 0.00 -0.43 -0.26 -0.53 -0.79 115.58 114.78 3ic5 h ASN 43 Ca 0.45 -0.05 -0.10 0.00 -0.56 0.00 0.00 56.30 56.04 3ic5 h ASN 43 Cb 0.45 -0.07 -0.04 0.00 -1.06 0.00 0.00 38.32 37.60 3ic5 h ASN 43 CO -0.21 0.41 -0.18 0.54 -1.06 0.00 0.00 177.43 176.93 3ic5 n ARG 44 N -4.28 1.43 -0.57 0.81 1.74 0.13 -4.43 116.66 111.49 3ic5 n ARG 44 Ca -0.00 -0.52 0.00 0.00 -0.77 0.00 0.00 57.85 56.56 3ic5 n ARG 44 Cb 0.26 -1.56 0.00 0.00 -1.02 0.00 0.00 32.46 30.14 3ic5 n ARG 44 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3ic5 n GLY 46 N 2.11 0.63 3.74 -0.13 0.00 -1.02 -5.07 105.19 105.45 3ic5 n GLY 46 Ca 0.22 -0.06 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 3ic5 n GLY 46 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ic5 s VAL 47 N 0.00 5.40 0.36 1.61 1.01 -0.33 -5.08 120.40 123.36 3ic5 s VAL 47 Ca 0.02 0.18 -0.28 0.00 0.00 0.00 0.00 61.98 61.91 3ic5 s VAL 47 Cb 0.03 -3.45 -0.10 0.00 0.00 0.00 0.00 36.38 32.85 3ic5 s VAL 47 CO -0.01 0.46 1.35 0.00 0.00 0.00 0.00 175.10 176.89 3ic5 s ALA 48 N 0.25 3.48 0.20 5.51 0.00 -1.26 -3.97 121.76 125.97 3ic5 s ALA 48 Ca 0.08 1.34 0.01 0.00 0.00 0.00 0.00 51.96 53.39 3ic5 s ALA 48 Cb -0.11 -3.51 -0.05 0.00 0.00 0.00 0.00 23.12 19.45 3ic5 s ALA 48 CO -0.01 -0.78 0.04 0.95 0.00 0.00 0.00 175.76 175.96 3ic5 s THR 49 N -1.16 0.59 -0.21 0.00 -4.23 -1.26 -0.83 115.64 108.55 3ic5 s THR 49 Ca 0.51 -1.99 -0.13 0.00 -1.18 0.00 0.00 61.69 58.91 3ic5 s THR 49 Cb -0.41 -2.32 0.07 0.00 1.34 0.00 0.00 72.50 71.18 3ic5 s THR 49 CO 0.55 -0.29 0.52 -0.75 -0.54 0.00 0.00 174.62 174.11 3ic5 s LYS 50 N -3.97 0.54 0.06 3.99 2.20 -0.64 -4.89 119.74 117.02 3ic5 s LYS 50 Ca 0.29 0.94 -0.25 0.00 -0.36 0.00 0.00 55.97 56.59 3ic5 s LYS 50 Cb 0.07 0.08 -0.06 0.00 -1.51 0.00 0.00 37.83 36.41 3ic5 s LYS 50 CO 0.08 -0.14 0.76 -1.14 -0.36 0.00 0.00 175.35 174.54 3ic5 s GLN 51 N 1.32 4.50 0.27 4.03 0.74 -1.26 -2.20 119.66 127.06 3ic5 s GLN 51 Ca -0.08 1.07 0.02 0.00 0.05 0.00 0.00 55.36 56.41 3ic5 s GLN 51 Cb -0.07 -3.35 -0.04 0.00 1.10 0.00 0.00 33.01 30.65 3ic5 s GLN 51 CO -0.13 0.32 0.15 0.14 -0.55 0.00 0.00 175.29 175.22 3ic5 s VAL 52 N -0.21 0.27 -0.20 1.34 -7.23 -0.68 -4.89 120.40 108.81 3ic5 s VAL 52 Ca 0.38 -2.00 -0.04 0.00 -1.81 0.00 0.00 61.98 58.51 3ic5 s VAL 52 Cb -0.21 -2.54 0.10 0.00 0.56 0.00 0.00 36.38 34.29 3ic5 s VAL 52 CO 0.23 0.00 0.28 -0.62 -0.31 0.00 0.00 175.10 174.69 3ic5 s ASP 53 N -3.30 0.73 0.02 4.85 2.15 -1.26 -3.36 116.67 116.50 3ic5 s ASP 53 Ca 0.37 0.16 0.14 0.00 0.43 0.00 0.00 52.55 53.65 3ic5 s ASP 53 Cb 0.06 0.71 0.59 0.00 -0.30 0.00 0.00 42.92 43.98 3ic5 s ASP 53 CO 0.16 -0.29 1.44 0.00 -0.17 0.00 0.00 175.17 176.30 3ic5 n ALA 54 N 5.34 1.59 0.70 3.66 0.00 -1.26 -1.27 120.51 129.27 3ic5 n ALA 54 Ca -0.05 -0.03 0.13 0.00 0.00 0.00 0.00 53.44 53.49 3ic5 n ALA 54 Cb 0.50 -1.22 0.46 0.00 0.00 0.00 0.00 19.45 19.18 3ic5 n ALA 54 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3ic5 n LYS 55 N -1.57 0.19 -3.63 0.00 5.02 -1.26 -4.30 118.16 112.61 3ic5 n LYS 55 Ca 0.03 0.18 -0.39 0.00 -2.02 0.00 0.00 58.31 56.11 3ic5 n LYS 55 Cb 0.15 -1.73 -0.08 0.00 -0.02 0.00 0.00 35.03 33.36 3ic5 n LYS 55 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3ic5 s ASP 56 N -4.13 5.61 0.20 4.39 2.15 -0.39 -4.96 116.67 119.53 3ic5 s ASP 56 Ca 0.11 -2.90 -0.09 0.00 0.43 0.00 0.00 52.55 50.10 3ic5 s ASP 56 Cb 0.14 -1.93 0.14 0.00 -0.30 0.00 0.00 42.92 40.96 3ic5 s ASP 56 CO 0.56 -0.39 1.78 -0.33 -0.17 0.00 0.00 175.17 176.62 3ic5 h GLU 57 N 7.09 1.09 -0.39 4.34 5.08 -1.79 -0.14 114.58 129.86 3ic5 h GLU 57 Ca 0.03 -0.18 -0.05 0.00 -1.00 0.00 0.00 59.36 58.16 3ic5 h GLU 57 Cb 0.96 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 30.01 3ic5 h GLU 57 CO 0.73 0.87 0.03 0.00 -1.00 0.00 0.00 179.01 179.64 3ic5 h ALA 58 N 1.17 0.52 -0.43 3.43 0.00 -1.95 -0.30 119.26 121.70 3ic5 h ALA 58 Ca 0.25 -0.23 0.09 0.00 0.00 0.00 0.00 54.91 55.02 3ic5 h ALA 58 Cb 0.16 -0.15 -0.08 0.00 0.00 0.00 0.00 17.79 17.72 3ic5 h ALA 58 CO -0.03 0.26 -0.12 0.78 0.00 0.00 0.00 179.25 180.14 3ic5 h GLY 59 N 0.50 0.28 0.90 0.00 0.00 -1.85 -1.43 103.07 101.46 3ic5 h GLY 59 Ca 0.11 0.16 -0.02 0.00 0.00 0.00 0.00 47.33 47.59 3ic5 h GLY 59 CO 0.01 -0.17 0.09 -2.00 0.00 0.00 0.00 176.54 174.47 3ic5 h LEU 60 N -0.02 0.36 -0.48 3.11 5.85 -0.70 0.35 115.31 123.79 3ic5 h LEU 60 Ca 0.21 -0.19 0.10 0.00 0.84 0.00 0.00 57.88 58.84 3ic5 h LEU 60 Cb 0.34 -0.09 -0.09 0.00 0.37 0.00 0.00 40.66 41.18 3ic5 h LEU 60 CO -0.45 0.45 -0.09 0.00 -0.34 0.00 0.00 178.44 178.01 3ic5 h ALA 61 N 0.93 0.35 -0.70 1.25 0.00 -0.85 -0.03 119.26 120.20 3ic5 h ALA 61 Ca 0.08 0.18 -0.07 0.00 0.00 0.00 0.00 54.91 55.10 3ic5 h ALA 61 Cb 0.21 0.34 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 3ic5 h ALA 61 CO -0.00 -0.43 0.18 -0.22 0.00 0.00 0.00 179.25 178.77 3ic5 h LYS 62 N 0.03 1.12 0.00 0.00 3.64 -0.64 -1.68 116.57 119.04 3ic5 h LYS 62 Ca 0.23 -0.26 -0.04 0.00 -1.27 0.00 0.00 60.65 59.31 3ic5 h LYS 62 Cb 0.36 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.02 3ic5 h LYS 62 CO -0.47 0.98 -0.20 0.00 -2.27 0.00 0.00 179.45 177.49 3ic5 h ALA 63 N 1.12 1.65 -0.01 5.00 0.00 0.72 -2.62 119.26 125.12 3ic5 h ALA 63 Ca 0.22 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3ic5 h ALA 63 Cb 0.36 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3ic5 h ALA 63 CO 0.00 0.25 -0.01 1.28 0.00 0.00 0.00 179.25 180.77 3ic5 n LEU 64 N -4.27 0.92 -4.73 0.00 4.77 -0.13 -4.92 117.00 108.64 3ic5 n LEU 64 Ca -0.02 -0.29 -0.40 0.00 -0.03 0.00 0.00 56.01 55.26 3ic5 n LEU 64 Cb 0.26 -0.02 0.02 0.00 -2.33 0.00 0.00 43.42 41.36 3ic5 n LEU 64 CO 0.36 0.15 0.95 0.61 -1.33 0.00 0.00 177.39 178.14 3ic5 n GLY 65 N 1.13 0.70 1.82 -0.72 0.00 -0.99 -3.46 105.19 103.67 3ic5 n GLY 65 Ca 0.20 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.36 3ic5 n GLY 65 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ic5 n GLY 66 N 0.75 0.71 3.77 -0.02 0.00 -1.26 -5.04 105.19 104.10 3ic5 n GLY 66 Ca 0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.76 3ic5 n GLY 66 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3ic5 s PHE 67 N -2.53 3.30 0.15 1.61 0.08 -1.22 -4.92 117.98 114.44 3ic5 s PHE 67 Ca 0.00 0.24 -0.11 0.00 0.12 0.00 0.00 56.93 57.18 3ic5 s PHE 67 Cb 0.00 -1.77 -0.01 0.00 -0.57 0.00 0.00 43.02 40.67 3ic5 s PHE 67 CO 0.00 0.56 1.53 -0.44 -0.10 0.00 0.00 175.22 176.77 3ic5 h ASP 68 N 4.40 0.97 -5.06 1.36 3.32 -0.84 -3.39 116.42 117.18 3ic5 h ASP 68 Ca -0.50 -0.40 -0.07 0.00 0.02 0.00 0.00 57.03 56.08 3ic5 h ASP 68 Cb 1.19 -0.27 -0.15 0.00 0.22 0.00 0.00 39.33 40.32 3ic5 h ASP 68 CO 0.60 1.15 -0.12 0.00 -1.72 0.00 0.00 179.24 179.16 3ic5 s ALA 69 N -4.66 -0.91 -0.11 3.45 0.00 -1.12 -1.90 121.76 116.51 3ic5 s ALA 69 Ca -0.12 0.10 0.02 0.00 0.00 0.00 0.00 51.96 51.97 3ic5 s ALA 69 Cb 0.12 0.49 0.01 0.00 0.00 0.00 0.00 23.12 23.74 3ic5 s ALA 69 CO 0.86 -0.53 -0.18 0.08 0.00 0.00 0.00 175.76 175.99 3ic5 s VAL 70 N -3.08 1.69 -0.23 0.00 1.01 0.55 -1.09 120.40 119.26 3ic5 s VAL 70 Ca -0.01 -0.78 -0.06 0.00 0.00 0.00 0.00 61.98 61.13 3ic5 s VAL 70 Cb 0.01 -1.51 -0.02 0.00 0.00 0.00 0.00 36.38 34.85 3ic5 s VAL 70 CO -0.07 0.48 0.03 -0.63 0.00 0.00 0.00 175.10 174.91 3ic5 s ILE 71 N 0.78 4.06 0.09 2.22 1.01 0.44 -0.38 121.20 129.42 3ic5 s ILE 71 Ca -0.10 -0.26 -0.31 0.00 0.00 0.00 0.00 60.65 59.98 3ic5 s ILE 71 Cb -0.16 -2.87 -0.07 0.00 0.01 0.00 0.00 42.46 39.37 3ic5 s ILE 71 CO 0.01 0.38 1.27 -0.55 0.00 0.00 0.00 174.94 176.05 3ic5 s SER 72 N 1.38 6.99 -0.20 3.58 0.15 -0.59 -0.67 113.70 124.33 3ic5 s SER 72 Ca 0.05 2.14 0.13 0.00 0.70 0.00 0.00 55.95 58.97 3ic5 s SER 72 Cb -0.15 -2.58 0.44 0.00 -1.71 0.00 0.00 66.02 62.02 3ic5 s SER 72 CO 0.02 -0.53 1.20 0.00 1.20 0.00 0.00 173.24 175.12 3ic5 n ALA 73 N 3.86 3.71 -2.47 5.45 0.00 0.15 -0.62 120.51 130.60 3ic5 n ALA 73 Ca 0.10 -3.24 -0.24 0.00 0.00 0.00 0.00 53.44 50.06 3ic5 n ALA 73 Cb 0.45 -0.44 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 3ic5 n ALA 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ic5 s ALA 74 N -2.86 3.50 0.57 0.00 0.00 -1.08 -3.81 121.76 118.08 3ic5 s ALA 74 Ca 0.40 -2.02 -0.21 0.00 0.00 0.00 0.00 51.96 50.13 3ic5 s ALA 74 Cb 0.38 -0.46 -0.04 0.00 0.00 0.00 0.00 23.12 23.00 3ic5 s ALA 74 CO -0.06 -0.08 1.33 -2.14 0.00 0.00 0.00 175.76 174.81 3ic5 s PRO 75 N -3.86 3.01 0.46 0.00 0.02 -1.26 -0.99 135.00 132.37 3ic5 s PRO 75 Ca 0.39 2.15 0.27 0.00 0.02 0.00 0.00 61.00 63.84 3ic5 s PRO 75 Cb 0.02 -2.14 1.32 0.00 0.02 0.00 0.00 34.50 33.72 3ic5 s PRO 75 CO 0.22 -1.27 1.75 0.27 -0.33 0.00 0.00 177.00 177.64 3ic5 h PHE 76 N 1.22 0.40 0.00 6.54 -0.00 -1.97 -1.63 116.94 121.50 3ic5 h PHE 76 Ca -0.51 0.01 0.00 0.00 -0.00 0.00 0.00 57.97 57.48 3ic5 h PHE 76 Cb 1.31 -0.11 0.00 0.00 -0.00 0.00 0.00 35.95 37.15 3ic5 h PHE 76 CO 0.45 -0.00 0.00 1.97 -0.00 0.00 0.00 178.31 180.73 3ic5 n PHE 77 N -4.47 0.34 0.88 6.09 1.16 -1.26 -1.45 117.46 118.76 3ic5 n PHE 77 Ca 0.28 0.14 0.12 0.00 -1.87 0.00 0.00 57.45 56.12 3ic5 n PHE 77 Cb 1.12 -0.72 0.24 0.00 -1.61 0.00 0.00 39.48 38.50 3ic5 n PHE 77 CO 0.00 0.00 0.00 1.28 -1.87 0.00 0.00 176.76 176.17 3ic5 n LEU 78 N -1.82 2.74 -0.20 5.98 4.77 -0.61 -4.53 117.00 123.34 3ic5 n LEU 78 Ca 0.03 -1.04 -0.04 0.00 -0.03 0.00 0.00 56.01 54.92 3ic5 n LEU 78 Cb 0.18 -0.10 0.06 0.00 -2.33 0.00 0.00 43.42 41.24 3ic5 n LEU 78 CO 0.15 0.52 1.08 0.74 -1.33 0.00 0.00 177.39 178.55 3ic5 h THR 79 N 3.94 1.03 -0.85 -5.08 2.02 -1.36 -0.41 112.91 112.20 3ic5 h THR 79 Ca 0.00 -0.23 0.01 0.00 0.77 0.00 0.00 66.41 66.96 3ic5 h THR 79 Cb 0.85 0.31 -0.04 0.00 -1.74 0.00 0.00 68.15 67.53 3ic5 h THR 79 CO 0.00 0.12 0.56 -0.65 0.37 0.00 0.00 175.52 175.92 3ic5 h PRO 80 N 0.66 1.12 -0.07 6.66 0.11 -1.80 0.50 132.00 139.17 3ic5 h PRO 80 Ca 0.24 -0.07 -0.01 0.00 0.11 0.00 0.00 66.00 66.27 3ic5 h PRO 80 Cb 0.07 -0.25 -0.00 0.00 0.11 0.00 0.00 31.00 30.93 3ic5 h PRO 80 CO -0.12 0.74 0.00 0.82 -0.21 0.00 0.00 178.00 179.23 3ic5 h ILE 81 N 1.15 1.24 -0.51 4.15 2.04 -1.77 -2.26 117.51 121.56 3ic5 h ILE 81 Ca 0.31 -0.76 -0.12 0.00 1.00 0.00 0.00 64.86 65.29 3ic5 h ILE 81 Cb -0.13 1.61 -0.02 0.00 -0.74 0.00 0.00 36.82 37.55 3ic5 h ILE 81 CO -0.07 0.21 -0.16 0.40 0.00 0.00 0.00 178.15 178.53 3ic5 h ILE 82 N -0.15 1.27 -0.81 -0.67 2.04 -0.91 -1.91 117.51 116.37 3ic5 h ILE 82 Ca 0.02 -1.33 -0.04 0.00 1.00 0.00 0.00 64.86 64.52 3ic5 h ILE 82 Cb 0.33 1.04 -0.04 0.00 -0.74 0.00 0.00 36.82 37.42 3ic5 h ILE 82 CO 0.00 0.46 0.36 0.00 0.00 0.00 0.00 178.15 178.98 3ic5 h ALA 83 N 0.91 1.11 -0.58 1.87 0.00 -0.94 0.49 119.26 122.12 3ic5 h ALA 83 Ca 0.13 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 3ic5 h ALA 83 Cb 0.74 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 3ic5 h ALA 83 CO 0.06 0.65 0.09 -0.22 0.00 0.00 0.00 179.25 179.83 3ic5 h LYS 84 N 1.16 0.97 -0.39 0.00 3.64 -1.11 -0.97 116.57 119.86 3ic5 h LYS 84 Ca 0.27 -0.26 -0.13 0.00 -1.27 0.00 0.00 60.65 59.27 3ic5 h LYS 84 Cb 0.16 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 3ic5 h LYS 84 CO -0.03 0.92 -0.25 0.00 -2.27 0.00 0.00 179.45 177.82 3ic5 h ALA 85 N 1.01 0.56 -0.31 5.00 0.00 -0.94 -0.67 119.26 123.91 3ic5 h ALA 85 Ca 0.18 -0.39 0.01 0.00 0.00 0.00 0.00 54.91 54.71 3ic5 h ALA 85 Cb 0.42 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 3ic5 h ALA 85 CO 0.01 0.56 0.18 0.00 0.00 0.00 0.00 179.25 180.00 3ic5 h ALA 86 N 0.80 0.39 -0.40 0.00 0.00 -0.78 0.34 119.26 119.60 3ic5 h ALA 86 Ca 0.08 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 3ic5 h ALA 86 Cb 0.82 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 3ic5 h ALA 86 CO 0.07 -0.18 0.15 -0.22 0.00 0.00 0.00 179.25 179.07 3ic5 h LYS 87 N 0.38 0.61 -0.32 0.00 3.64 -0.95 -0.28 116.57 119.65 3ic5 h LYS 87 Ca 0.12 -0.11 -0.00 0.00 -1.27 0.00 0.00 60.65 59.39 3ic5 h LYS 87 Cb -0.00 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.70 3ic5 h LYS 87 CO -0.05 0.58 0.19 0.00 -2.27 0.00 0.00 179.45 177.90 3ic5 h ALA 88 N 1.00 1.74 -0.00 5.00 0.00 -0.77 -1.75 119.26 124.48 3ic5 h ALA 88 Ca 0.13 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3ic5 h ALA 88 Cb 0.21 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3ic5 h ALA 88 CO -0.01 0.23 -0.01 0.00 0.00 0.00 0.00 179.25 179.46 3ic5 n ALA 89 N -2.49 2.54 -1.55 0.00 0.00 0.08 -4.91 120.51 114.18 3ic5 n ALA 89 Ca 0.02 -0.16 -0.08 0.00 0.00 0.00 0.00 53.44 53.22 3ic5 n ALA 89 Cb 0.08 -1.48 -0.02 0.00 0.00 0.00 0.00 19.45 18.03 3ic5 n ALA 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ic5 n GLY 90 N 1.24 0.64 3.68 0.00 0.00 -0.66 -4.48 105.19 105.62 3ic5 n GLY 90 Ca 0.16 -0.65 -0.33 0.00 0.00 0.00 0.00 46.02 45.20 3ic5 n GLY 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ic5 s ALA 91 N -2.32 3.28 0.58 4.61 0.00 -0.15 -4.90 121.76 122.85 3ic5 s ALA 91 Ca 0.00 -0.93 -0.19 0.00 0.00 0.00 0.00 51.96 50.84 3ic5 s ALA 91 Cb 0.00 -1.36 -0.04 0.00 0.00 0.00 0.00 23.12 21.72 3ic5 s ALA 91 CO 0.00 0.64 1.19 -1.01 0.00 0.00 0.00 175.76 176.58 3ic5 s HIS 92 N -1.05 2.43 -0.14 0.00 0.09 -0.80 -4.02 115.29 111.80 3ic5 s HIS 92 Ca 0.19 1.52 0.02 0.00 -0.00 0.00 0.00 55.06 56.79 3ic5 s HIS 92 Cb -0.11 -3.45 0.01 0.00 -0.00 0.00 0.00 32.58 29.02 3ic5 s HIS 92 CO 0.09 -2.11 -0.20 -0.47 -0.00 0.00 0.00 174.74 172.05 3ic5 s TYR 93 N -1.63 2.69 -0.27 1.40 5.04 -1.26 -0.33 117.35 123.00 3ic5 s TYR 93 Ca 0.77 -1.24 -0.00 0.00 -2.44 0.00 0.00 57.07 54.15 3ic5 s TYR 93 Cb -0.29 -1.83 0.04 0.00 0.35 0.00 0.00 41.96 40.23 3ic5 s TYR 93 CO 0.32 -0.56 -0.06 0.12 -1.34 0.00 0.00 175.55 174.03 3ic5 s PHE 94 N 0.78 3.18 -1.24 4.97 5.36 0.49 -4.96 117.98 126.55 3ic5 s PHE 94 Ca -0.07 -1.87 -0.06 0.00 -0.96 0.00 0.00 56.93 53.97 3ic5 s PHE 94 Cb -0.16 -2.04 0.08 0.00 -0.34 0.00 0.00 43.02 40.57 3ic5 s PHE 94 CO -0.01 -0.80 2.53 -3.47 -1.46 0.00 0.00 175.22 172.01 3ic5 n ASP 95 N 4.59 7.93 0.10 6.13 2.03 -1.26 -1.55 116.55 134.53 3ic5 n ASP 95 Ca -0.15 -3.06 -0.13 0.00 0.52 0.00 0.00 54.79 51.97 3ic5 n ASP 95 Cb 0.45 -1.37 -0.08 0.00 -0.72 0.00 0.00 41.12 39.39 3ic5 n ASP 95 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 3ic5 h LEU 96 N 5.57 -0.19 -0.07 -2.67 5.85 -1.93 -3.48 115.31 118.39 3ic5 h LEU 96 Ca 0.68 -0.14 0.06 0.00 0.84 0.00 0.00 57.88 59.32 3ic5 h LEU 96 Cb 0.37 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.42 3ic5 h LEU 96 CO 1.43 0.03 -0.14 0.35 -0.34 0.00 0.00 178.44 179.76 3ic5 n THR 97 N -5.11 -0.01 0.23 1.05 -2.24 0.21 -4.55 114.28 103.88 3ic5 n THR 97 Ca -0.09 0.08 0.13 0.00 -2.27 0.00 0.00 64.05 61.90 3ic5 n THR 97 Cb 0.18 -0.16 0.28 0.00 -2.10 0.00 0.00 70.33 68.54 3ic5 n THR 97 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 3ic5 h GLU 98 N -0.22 0.00 -1.87 -0.78 4.11 -1.16 -3.41 114.58 111.25 3ic5 h GLU 98 Ca -0.01 0.00 -0.28 0.00 0.07 0.00 0.00 59.36 59.14 3ic5 h GLU 98 Cb 0.21 0.00 -0.30 0.00 0.50 0.00 0.00 28.75 29.16 3ic5 h GLU 98 CO 0.01 0.01 -0.61 0.34 0.07 0.00 0.00 179.01 178.83 3ic5 s ASP 99 N -6.10 0.89 0.22 3.06 -1.08 -1.26 -4.54 116.67 107.86 3ic5 s ASP 99 Ca 0.06 -0.91 -0.04 0.00 -0.52 0.00 0.00 52.55 51.13 3ic5 s ASP 99 Cb 0.06 0.81 0.21 0.00 -1.46 0.00 0.00 42.92 42.54 3ic5 s ASP 99 CO 0.64 -0.32 1.65 0.58 0.52 0.00 0.00 175.17 178.24 3ic5 h VAL 100 N 5.75 1.27 -0.19 1.11 2.07 -1.81 -1.59 116.25 122.86 3ic5 h VAL 100 Ca -0.04 -1.27 -0.01 0.00 0.82 0.00 0.00 66.70 66.19 3ic5 h VAL 100 Cb 1.09 1.14 -0.01 0.00 -1.52 0.00 0.00 31.29 31.99 3ic5 h VAL 100 CO 0.25 0.43 0.06 0.00 0.02 0.00 0.00 177.57 178.33 3ic5 h ALA 101 N 1.10 0.25 -0.49 1.67 0.00 -1.96 0.25 119.26 120.08 3ic5 h ALA 101 Ca 0.10 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 3ic5 h ALA 101 Cb 0.68 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 3ic5 h ALA 101 CO 0.05 -0.13 0.02 0.00 0.00 0.00 0.00 179.25 179.19 3ic5 h ALA 102 N 0.88 0.66 -0.48 0.00 0.00 -1.97 -1.36 119.26 116.99 3ic5 h ALA 102 Ca 0.06 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.66 3ic5 h ALA 102 Cb 0.22 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3ic5 h ALA 102 CO -0.00 0.45 0.13 1.15 0.00 0.00 0.00 179.25 180.97 3ic5 h THR 103 N 0.72 1.23 -0.62 0.00 2.02 -1.14 -0.57 112.91 114.55 3ic5 h THR 103 Ca 0.14 -0.81 0.04 0.00 0.77 0.00 0.00 66.41 66.55 3ic5 h THR 103 Cb 0.49 0.85 -0.03 0.00 -1.74 0.00 0.00 68.15 67.71 3ic5 h THR 103 CO 0.02 0.29 0.41 0.78 0.37 0.00 0.00 175.52 177.39 3ic5 h ASN 104 N 0.65 0.61 -0.12 4.18 2.35 -0.23 0.23 115.58 123.23 3ic5 h ASN 104 Ca 0.15 -0.01 -0.19 0.00 -0.55 0.00 0.00 56.30 55.71 3ic5 h ASN 104 Cb 0.31 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.54 3ic5 h ASN 104 CO -0.00 0.42 -0.62 0.00 -1.65 0.00 0.00 177.43 175.58 3ic5 h ALA 105 N 1.65 0.50 -0.34 -0.83 0.00 -0.54 0.13 119.26 119.83 3ic5 h ALA 105 Ca 0.25 -0.54 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 3ic5 h ALA 105 Cb 0.11 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3ic5 h ALA 105 CO -0.07 0.69 0.14 0.28 0.00 0.00 0.00 179.25 180.29 3ic5 h VAL 106 N 0.54 1.18 -0.72 0.00 2.07 -0.28 -1.82 116.25 117.23 3ic5 h VAL 106 Ca -0.01 -0.55 0.08 0.00 0.82 0.00 0.00 66.70 67.05 3ic5 h VAL 106 Cb 1.21 0.92 -0.07 0.00 -1.52 0.00 0.00 31.29 31.83 3ic5 h VAL 106 CO 0.13 0.19 0.38 0.03 0.02 0.00 0.00 177.57 178.32 3ic5 h ARG 107 N 0.40 0.64 -0.43 1.57 3.08 -0.38 -1.44 114.38 117.82 3ic5 h ARG 107 Ca 0.11 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.10 3ic5 h ARG 107 Cb 0.17 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.06 3ic5 h ARG 107 CO -0.01 0.42 0.19 0.00 -1.07 0.00 0.00 179.97 179.50 3ic5 h ALA 108 N 1.41 0.55 -0.02 0.04 0.00 -0.59 -2.55 119.26 118.10 3ic5 h ALA 108 Ca 0.34 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 55.15 3ic5 h ALA 108 Cb 0.31 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.88 3ic5 h ALA 108 CO -0.24 0.13 -0.44 -0.07 0.00 0.00 0.00 179.25 178.63 3ic5 h LEU 109 N 0.55 -1.38 -1.83 0.00 4.07 -0.82 0.71 115.31 116.61 3ic5 h LEU 109 Ca 0.15 0.16 0.46 0.00 0.08 0.00 0.00 57.88 58.73 3ic5 h LEU 109 Cb 0.15 0.52 -0.08 0.00 1.08 0.00 0.00 40.66 42.33 3ic5 h LEU 109 CO -0.02 -0.43 1.10 0.58 -1.08 0.00 0.00 178.44 178.60 3ic5 h VAL 110 N -0.54 0.17 0.02 1.22 2.07 -1.17 -0.29 116.25 117.72 3ic5 h VAL 110 Ca 0.01 -0.01 -0.34 0.00 0.82 0.00 0.00 66.70 67.18 3ic5 h VAL 110 Cb 0.59 0.13 -0.05 0.00 -1.52 0.00 0.00 31.29 30.43 3ic5 h VAL 110 CO -0.31 0.01 -2.04 -0.62 0.02 0.00 0.00 177.57 174.63 3ic5 n GLU 111 N -4.21 0.67 -0.90 1.57 1.02 -0.64 -4.26 120.64 113.89 3ic5 n GLU 111 Ca 0.37 0.18 -0.18 0.00 -0.02 0.00 0.00 57.16 57.50 3ic5 n GLU 111 Cb 1.62 -1.67 -0.09 0.00 -0.02 0.00 0.00 31.44 31.28 3ic5 n GLU 111 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3ic5 n ASP 112 N -3.02 5.35 0.00 1.62 8.00 0.24 -5.09 116.55 123.65 3ic5 n ASP 112 Ca -0.27 -2.35 0.00 0.00 0.71 0.00 0.00 54.79 52.88 3ic5 n ASP 112 Cb 1.08 -1.22 0.00 0.00 -0.02 0.00 0.00 41.12 40.96 3ic5 n ASP 112 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61