#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ibl n ARG 3 N 0.00 -0.94 0.00 0.00 5.12 -1.26 -4.86 116.66 114.72 1ibl n ARG 3 Ca 0.00 -0.31 0.00 0.00 -1.93 0.00 0.00 57.85 55.61 1ibl n ARG 3 Cb 0.00 0.55 0.00 0.00 -1.16 0.00 0.00 32.46 31.85 1ibl n ARG 3 CO 0.00 0.00 0.00 -0.89 -1.93 0.00 0.00 177.63 174.81 1ibl n ILE 4 N -0.86 0.00 -0.64 0.55 5.41 -1.26 -4.68 119.36 117.88 1ibl n ILE 4 Ca 0.00 0.00 -0.30 0.00 1.00 0.00 0.00 62.75 63.45 1ibl n ILE 4 Cb 0.00 -0.08 0.17 0.00 -0.71 0.00 0.00 39.64 39.02 1ibl n ILE 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1ibl n ALA 5 N -3.00 -3.69 -0.59 -1.39 0.00 -1.26 -4.41 120.51 106.17 1ibl n ALA 5 Ca 0.00 -1.29 -0.20 0.00 0.00 0.00 0.00 53.44 51.95 1ibl n ALA 5 Cb 0.00 -1.38 -0.06 0.00 0.00 0.00 0.00 19.45 18.01 1ibl n ALA 5 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ibl n GLY 6 N 2.15 -0.15 4.21 0.00 0.00 -1.26 -0.31 105.19 109.82 1ibl n GLY 6 Ca 0.02 0.48 -0.30 0.00 0.00 0.00 0.00 46.02 46.21 1ibl n GLY 6 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1ibl n VAL 7 N 2.98 -1.05 -1.24 1.61 0.24 -1.26 -4.96 118.33 114.66 1ibl n VAL 7 Ca 0.26 -0.48 0.00 0.00 -2.04 0.00 0.00 64.34 62.08 1ibl n VAL 7 Cb 0.00 -1.02 0.00 0.00 -1.47 0.00 0.00 33.84 31.35 1ibl n VAL 7 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1ibl n GLU 8 N -4.42 0.77 0.00 7.34 -0.58 0.57 -4.99 120.64 119.32 1ibl n GLU 8 Ca -0.30 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.44 1ibl n GLU 8 Cb 0.65 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.52 1ibl n GLU 8 CO 0.00 0.00 0.00 0.44 -0.48 0.00 0.00 177.13 177.09 1ibl n ILE 9 N -1.09 0.00 -3.30 -3.67 -6.64 -1.26 -4.01 119.36 99.40 1ibl n ILE 9 Ca 0.00 0.00 -0.38 0.00 -1.77 0.00 0.00 62.75 60.60 1ibl n ILE 9 Cb 0.00 0.00 -0.06 0.00 -1.44 0.00 0.00 39.64 38.14 1ibl n ILE 9 CO 0.00 0.00 0.00 -2.16 -1.77 0.00 0.00 176.55 172.62 1ibl s PRO 10 N 0.00 4.20 0.03 6.28 0.04 -1.26 -4.83 135.00 139.46 1ibl s PRO 10 Ca 0.00 0.64 -0.28 0.00 0.04 0.00 0.00 61.00 61.40 1ibl s PRO 10 Cb 0.00 -3.29 0.08 0.00 0.04 0.00 0.00 34.50 31.32 1ibl s PRO 10 CO 0.00 0.50 0.69 0.50 0.04 0.00 0.00 177.00 178.73 1ibl s ARG 11 N -0.58 1.10 0.00 4.56 3.52 -1.26 -4.10 118.95 122.19 1ibl s ARG 11 Ca 0.28 -0.08 0.00 0.00 -0.13 0.00 0.00 55.73 55.81 1ibl s ARG 11 Cb -0.18 0.51 0.00 0.00 -1.56 0.00 0.00 34.95 33.72 1ibl s ARG 11 CO 0.16 -0.41 0.00 -1.71 -0.81 0.00 0.00 175.30 172.53 1ibl n ASN 12 N 0.31 0.00 -4.72 -2.12 2.85 -1.26 -4.97 115.26 105.34 1ibl n ASN 12 Ca -0.17 0.00 -0.24 0.00 -0.11 0.00 0.00 54.58 54.06 1ibl n ASN 12 Cb 0.61 -0.23 -0.07 0.00 1.24 0.00 0.00 39.78 41.32 1ibl n ASN 12 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 1ibl s LYS 13 N 0.00 2.28 0.61 1.20 -0.14 -1.26 -4.84 119.74 117.59 1ibl s LYS 13 Ca 0.00 -1.68 -0.18 0.00 -1.36 0.00 0.00 55.97 52.76 1ibl s LYS 13 Cb 0.00 -2.08 -0.07 0.00 -1.68 0.00 0.00 37.83 34.00 1ibl s LYS 13 CO 0.00 0.03 0.60 0.54 -0.76 0.00 0.00 175.35 175.76 1ibl n ARG 14 N -1.16 0.52 -0.11 1.68 1.74 -1.26 -2.32 116.66 115.75 1ibl n ARG 14 Ca -0.02 0.21 -0.10 0.00 -0.77 0.00 0.00 57.85 57.17 1ibl n ARG 14 Cb 0.62 -1.81 -0.02 0.00 -1.02 0.00 0.00 32.46 30.24 1ibl n ARG 14 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1ibl h VAL 15 N 0.13 1.21 0.09 1.55 2.07 -0.74 0.65 116.25 121.22 1ibl h VAL 15 Ca -0.46 -0.70 -0.00 0.00 0.82 0.00 0.00 66.70 66.35 1ibl h VAL 15 Cb 1.38 1.05 0.00 0.00 -1.52 0.00 0.00 31.29 32.20 1ibl h VAL 15 CO 0.47 0.24 -0.04 -2.24 0.02 0.00 0.00 177.57 176.01 1ibl h ASP 16 N 0.38 -0.10 -0.81 0.57 2.03 -1.88 1.19 116.42 117.80 1ibl h ASP 16 Ca 0.11 -0.01 -0.01 0.00 -0.73 0.00 0.00 57.03 56.38 1ibl h ASP 16 Cb 0.27 0.03 -0.04 0.00 -0.83 0.00 0.00 39.33 38.76 1ibl h ASP 16 CO -0.00 -0.06 0.46 0.58 -1.03 0.00 0.00 179.24 179.19 1ibl h VAL 17 N -0.13 1.24 -0.30 4.15 2.07 -1.87 -2.91 116.25 118.49 1ibl h VAL 17 Ca -0.01 -0.57 -0.05 0.00 0.82 0.00 0.00 66.70 66.89 1ibl h VAL 17 Cb 0.10 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.00 1ibl h VAL 17 CO 0.02 0.26 0.00 0.00 0.02 0.00 0.00 177.57 177.87 1ibl h ALA 18 N 1.24 0.41 -0.99 1.67 0.00 0.90 -2.69 119.26 119.80 1ibl h ALA 18 Ca 0.29 -0.23 0.25 0.00 0.00 0.00 0.00 54.91 55.21 1ibl h ALA 18 Cb 0.01 -0.11 -0.07 0.00 0.00 0.00 0.00 17.79 17.61 1ibl h ALA 18 CO -0.05 0.16 0.66 -0.07 0.00 0.00 0.00 179.25 179.95 1ibl h LEU 19 N 0.33 0.34 -0.88 0.00 3.38 0.16 -1.93 115.31 116.71 1ibl h LEU 19 Ca 0.09 0.05 0.16 0.00 0.09 0.00 0.00 57.88 58.26 1ibl h LEU 19 Cb 0.44 -0.01 -0.16 0.00 0.09 0.00 0.00 40.66 41.02 1ibl h LEU 19 CO 0.02 0.10 -0.31 0.74 0.09 0.00 0.00 178.44 179.07 1ibl h THR 20 N 0.32 0.07 0.00 0.22 2.02 -1.34 0.20 112.91 114.40 1ibl h THR 20 Ca 0.53 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.71 1ibl h THR 20 Cb 1.48 0.07 0.00 0.00 -1.74 0.00 0.00 68.15 67.96 1ibl h THR 20 CO -0.19 0.00 0.24 -1.22 0.37 0.00 0.00 175.52 174.71 1ibl n TYR 21 N -5.51 0.00 -2.82 3.16 4.02 -0.73 -4.43 117.16 110.85 1ibl n TYR 21 Ca 0.11 0.00 -0.38 0.00 -0.01 0.00 0.00 57.90 57.62 1ibl n TYR 21 Cb 0.41 -0.17 -0.06 0.00 -0.02 0.00 0.00 39.34 39.50 1ibl n TYR 21 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 1ibl s ILE 22 N -2.23 4.23 0.00 -0.72 1.01 0.05 -4.98 121.20 118.57 1ibl s ILE 22 Ca 0.00 1.81 0.00 0.00 0.00 0.00 0.00 60.65 62.46 1ibl s ILE 22 Cb 0.00 -4.06 0.00 0.00 0.01 0.00 0.00 42.46 38.41 1ibl s ILE 22 CO 0.00 0.23 0.00 0.00 0.00 0.00 0.00 174.94 175.17 1ibl n TYR 23 N 0.80 0.00 0.00 3.97 9.36 -1.26 -2.90 117.16 127.12 1ibl n TYR 23 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 1ibl n TYR 23 Cb 0.50 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.21 1ibl n TYR 23 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1ibl n GLY 24 N 0.00 0.08 3.25 2.98 0.00 -1.26 -4.67 105.19 105.57 1ibl n GLY 24 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 1ibl n GLY 24 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ibl s ILE 25 N 1.05 1.30 0.00 -0.61 1.01 -1.14 -4.94 121.20 117.87 1ibl s ILE 25 Ca 0.00 -1.82 0.00 0.00 0.00 0.00 0.00 60.65 58.83 1ibl s ILE 25 Cb 0.00 -1.62 0.00 0.00 0.01 0.00 0.00 42.46 40.85 1ibl s ILE 25 CO 0.00 -0.51 0.00 0.61 0.00 0.00 0.00 174.94 175.04 1ibl n GLY 26 N 0.31 1.87 0.30 6.18 0.00 -1.26 -4.69 105.19 107.90 1ibl n GLY 26 Ca -0.14 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.63 1ibl n GLY 26 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ibl n LYS 27 N -0.31 0.00 0.00 1.61 4.76 -1.26 -1.88 118.16 121.08 1ibl n LYS 27 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1ibl n LYS 27 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 1ibl n LYS 27 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1ibl n ALA 28 N 0.01 0.00 -0.45 7.82 0.00 -1.26 -1.03 120.51 125.60 1ibl n ALA 28 Ca 0.00 0.00 0.39 0.00 0.00 0.00 0.00 53.44 53.83 1ibl n ALA 28 Cb 0.00 0.08 0.73 0.00 0.00 0.00 0.00 19.45 20.26 1ibl n ALA 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ibl h ARG 29 N 0.00 0.05 -0.43 0.00 3.08 -1.77 0.74 114.38 116.05 1ibl h ARG 29 Ca 0.00 -0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.96 1ibl h ARG 29 Cb 0.00 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.02 1ibl h ARG 29 CO 0.00 0.04 -0.08 0.00 -1.07 0.00 0.00 179.97 178.86 1ibl h ALA 30 N 1.35 0.60 -0.42 0.04 0.00 -1.58 0.11 119.26 119.35 1ibl h ALA 30 Ca 0.71 -0.31 -0.13 0.00 0.00 0.00 0.00 54.91 55.18 1ibl h ALA 30 Cb 2.65 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 20.27 1ibl h ALA 30 CO -0.10 0.46 -0.26 -0.22 0.00 0.00 0.00 179.25 179.12 1ibl h LYS 31 N 0.65 0.88 0.18 0.00 3.64 0.22 -1.77 116.57 120.36 1ibl h LYS 31 Ca 0.11 -0.39 -0.01 0.00 -1.27 0.00 0.00 60.65 59.09 1ibl h LYS 31 Cb 0.60 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.40 1ibl h LYS 31 CO 0.04 1.04 -0.08 1.49 -2.27 0.00 0.00 179.45 179.66 1ibl h GLU 32 N 0.76 -0.23 -0.02 1.90 4.81 -0.97 -1.62 114.58 119.21 1ibl h GLU 32 Ca 0.09 0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.37 1ibl h GLU 32 Cb 0.82 0.05 -0.05 0.00 0.63 0.00 0.00 28.75 30.19 1ibl h GLU 32 CO 0.07 -0.02 -0.34 0.00 -0.73 0.00 0.00 179.01 177.98 1ibl h ALA 33 N 0.40 -0.50 0.00 2.92 0.00 -0.70 0.37 119.26 121.74 1ibl h ALA 33 Ca -0.02 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1ibl h ALA 33 Cb 0.31 0.61 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1ibl h ALA 33 CO 0.04 -0.86 0.00 1.28 0.00 0.00 0.00 179.25 179.71 1ibl n LEU 34 N -5.42 0.00 -0.01 0.00 4.77 -0.68 -2.73 117.00 112.93 1ibl n LEU 34 Ca -0.05 0.43 -0.00 0.00 -0.03 0.00 0.00 56.01 56.36 1ibl n LEU 34 Cb 0.34 -0.43 -0.00 0.00 -2.33 0.00 0.00 43.42 40.99 1ibl n LEU 34 CO 0.18 -0.36 -0.04 -0.08 -1.33 0.00 0.00 177.39 175.76 1ibl h GLU 35 N 0.00 0.00 -1.20 3.23 4.57 0.66 -2.40 114.58 119.44 1ibl h GLU 35 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1ibl h GLU 35 Cb 0.08 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.67 1ibl h GLU 35 CO 0.00 0.00 0.00 1.63 -1.18 0.00 0.00 179.01 179.46 1ibl n LYS 36 N -2.52 0.30 0.00 1.92 5.02 -0.11 0.23 118.16 123.01 1ibl n LYS 36 Ca -0.01 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.28 1ibl n LYS 36 Cb 0.03 -1.28 0.00 0.00 -0.02 0.00 0.00 35.03 33.76 1ibl n LYS 36 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 1ibl n THR 37 N 0.67 0.00 -3.95 -0.18 -1.04 -1.11 -5.03 114.28 103.65 1ibl n THR 37 Ca 0.00 0.00 -0.30 0.00 -2.04 0.00 0.00 64.05 61.71 1ibl n THR 37 Cb 0.12 0.87 0.01 0.00 -1.82 0.00 0.00 70.33 69.51 1ibl n THR 37 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ibl n GLY 38 N 0.00 -0.54 3.09 3.41 0.00 0.14 -4.94 105.19 106.34 1ibl n GLY 38 Ca 0.00 0.22 -0.32 0.00 0.00 0.00 0.00 46.02 45.91 1ibl n GLY 38 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ibl s ILE 39 N -4.00 2.04 -0.32 -0.61 1.01 -0.92 -5.05 121.20 113.34 1ibl s ILE 39 Ca 0.31 -1.13 -0.38 0.00 0.00 0.00 0.00 60.65 59.45 1ibl s ILE 39 Cb -0.17 -1.95 -0.14 0.00 0.01 0.00 0.00 42.46 40.21 1ibl s ILE 39 CO 0.63 0.35 2.01 -3.20 0.00 0.00 0.00 174.94 174.73 1ibl n ASN 40 N 4.58 2.18 -0.19 3.58 4.05 -1.26 -4.79 115.26 123.40 1ibl n ASN 40 Ca -0.18 0.70 -0.01 0.00 0.45 0.00 0.00 54.58 55.54 1ibl n ASN 40 Cb 0.47 -1.19 0.10 0.00 1.23 0.00 0.00 39.78 40.39 1ibl n ASN 40 CO 0.00 0.00 0.00 -0.65 -3.05 0.00 0.00 177.26 173.56 1ibl h PRO 41 N 10.07 0.38 -0.19 1.20 0.11 -1.97 -2.05 132.00 139.54 1ibl h PRO 41 Ca -0.34 -0.02 0.06 0.00 0.11 0.00 0.00 66.00 65.81 1ibl h PRO 41 Cb 1.33 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 1ibl h PRO 41 CO 1.00 0.25 0.49 0.00 -0.21 0.00 0.00 178.00 179.53 1ibl h ALA 42 N 1.40 1.75 -2.83 -0.75 0.00 -1.97 -2.23 119.26 114.64 1ibl h ALA 42 Ca 0.29 -0.01 -0.54 0.00 0.00 0.00 0.00 54.91 54.65 1ibl h ALA 42 Cb 0.36 0.01 0.10 0.00 0.00 0.00 0.00 17.79 18.26 1ibl h ALA 42 CO -0.30 -0.59 0.79 0.25 0.00 0.00 0.00 179.25 179.41 1ibl n THR 43 N -3.13 1.61 -2.13 0.00 -2.24 -0.77 -4.69 114.28 102.93 1ibl n THR 43 Ca 0.03 -0.40 -0.41 0.00 -2.27 0.00 0.00 64.05 60.99 1ibl n THR 43 Cb 0.59 -1.94 -0.02 0.00 -2.10 0.00 0.00 70.33 66.86 1ibl n THR 43 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1ibl s ARG 44 N -1.46 4.36 0.31 -0.78 3.00 -1.26 -1.96 118.95 121.15 1ibl s ARG 44 Ca 0.58 2.18 0.04 0.00 0.00 0.00 0.00 55.73 58.52 1ibl s ARG 44 Cb -0.49 -3.11 0.64 0.00 0.00 0.00 0.00 34.95 31.98 1ibl s ARG 44 CO 0.58 -0.24 1.85 0.28 0.00 0.00 0.00 175.30 177.77 1ibl h VAL 45 N 3.32 0.89 0.00 3.52 2.07 -1.74 0.52 116.25 124.83 1ibl h VAL 45 Ca -0.47 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 66.74 1ibl h VAL 45 Cb 1.22 -0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.91 1ibl h VAL 45 CO 0.71 0.16 0.00 2.29 0.02 0.00 0.00 177.57 180.76 1ibl n LYS 46 N -4.60 0.01 -0.33 1.57 2.85 -1.26 -0.23 118.16 116.17 1ibl n LYS 46 Ca 0.18 0.49 0.08 0.00 -1.05 0.00 0.00 58.31 58.01 1ibl n LYS 46 Cb 0.39 -1.53 0.23 0.00 -0.65 0.00 0.00 35.03 33.47 1ibl n LYS 46 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1ibl n ASP 47 N -1.55 3.56 -4.74 -5.58 8.00 0.18 -5.00 116.55 111.42 1ibl n ASP 47 Ca 0.00 -2.25 -0.41 0.00 0.71 0.00 0.00 54.79 52.84 1ibl n ASP 47 Cb 0.02 -0.38 -0.04 0.00 -0.02 0.00 0.00 41.12 40.69 1ibl n ASP 47 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1ibl s LEU 48 N -1.46 4.49 0.05 0.64 1.43 0.68 -4.89 118.68 119.61 1ibl s LEU 48 Ca 0.35 2.04 -0.31 0.00 -1.03 0.00 0.00 54.13 55.19 1ibl s LEU 48 Cb 0.21 -3.60 -0.06 0.00 0.03 0.00 0.00 46.19 42.77 1ibl s LEU 48 CO 0.19 -0.20 1.41 -0.89 0.23 0.00 0.00 176.35 177.09 1ibl s THR 49 N -0.20 3.55 0.39 5.49 2.01 -1.26 -4.87 115.64 120.74 1ibl s THR 49 Ca 0.49 1.01 0.23 0.00 0.31 0.00 0.00 61.69 63.74 1ibl s THR 49 Cb -0.28 -3.65 0.40 0.00 0.01 0.00 0.00 72.50 68.97 1ibl s THR 49 CO 0.34 0.03 1.61 -0.08 -0.69 0.00 0.00 174.62 175.83 1ibl h GLU 50 N 7.49 0.09 -0.22 4.92 4.57 -2.00 0.77 114.58 130.21 1ibl h GLU 50 Ca -0.40 -0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 57.76 1ibl h GLU 50 Cb 1.19 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.75 1ibl h GLU 50 CO 0.89 0.06 0.05 0.00 -1.18 0.00 0.00 179.01 178.83 1ibl h ALA 51 N 1.83 0.29 -0.73 2.92 0.00 -2.00 -2.47 119.26 119.09 1ibl h ALA 51 Ca 0.82 -0.16 0.04 0.00 0.00 0.00 0.00 54.91 55.62 1ibl h ALA 51 Cb 2.27 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 19.93 1ibl h ALA 51 CO -0.62 -0.07 0.45 0.93 0.00 0.00 0.00 179.25 179.95 1ibl h GLU 52 N 0.17 0.83 0.30 0.00 5.08 0.16 -1.86 114.58 119.25 1ibl h GLU 52 Ca 0.07 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1ibl h GLU 52 Cb 0.27 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 1ibl h GLU 52 CO 0.00 0.55 -0.32 0.28 -1.00 0.00 0.00 179.01 178.52 1ibl h VAL 53 N 0.85 0.33 -0.86 3.13 2.07 -1.25 0.59 116.25 121.11 1ibl h VAL 53 Ca 0.30 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.92 1ibl h VAL 53 Cb 0.08 0.33 -0.11 0.00 -1.52 0.00 0.00 31.29 30.07 1ibl h VAL 53 CO -0.14 0.00 -0.45 0.52 0.02 0.00 0.00 177.57 177.53 1ibl n VAL 54 N -5.43 -0.54 0.10 2.57 0.31 -0.75 -0.06 118.33 114.53 1ibl n VAL 54 Ca -0.09 2.06 -0.05 0.00 -0.01 0.00 0.00 64.34 66.24 1ibl n VAL 54 Cb 0.34 -2.60 -0.03 0.00 -0.91 0.00 0.00 33.84 30.64 1ibl n VAL 54 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 1ibl h ARG 55 N 0.00 -0.30 -0.58 5.55 3.08 -0.93 -1.60 114.38 119.60 1ibl h ARG 55 Ca 0.19 0.02 0.05 0.00 0.07 0.00 0.00 59.98 60.31 1ibl h ARG 55 Cb 0.41 0.07 -0.07 0.00 0.08 0.00 0.00 29.97 30.46 1ibl h ARG 55 CO -0.82 -0.20 -0.34 -0.11 -1.07 0.00 0.00 179.97 177.43 1ibl n LEU 56 N -3.18 -0.61 0.12 3.04 0.00 0.15 -0.13 117.00 116.38 1ibl n LEU 56 Ca -0.04 1.07 -0.14 0.00 0.00 0.00 0.00 56.01 56.90 1ibl n LEU 56 Cb 0.14 -0.15 -0.07 0.00 0.00 0.00 0.00 43.42 43.33 1ibl n LEU 56 CO 0.08 -0.86 0.60 -0.09 0.00 0.00 0.00 177.39 177.12 1ibl h ARG 57 N 0.00 -0.61 -0.78 1.96 2.43 -0.40 -0.31 114.38 116.68 1ibl h ARG 57 Ca 0.09 0.04 0.07 0.00 -0.81 0.00 0.00 59.98 59.38 1ibl h ARG 57 Cb 0.24 0.14 -0.06 0.00 -0.42 0.00 0.00 29.97 29.86 1ibl h ARG 57 CO -0.54 -0.41 0.45 0.93 -1.51 0.00 0.00 179.97 178.89 1ibl h GLU 58 N -0.64 0.78 0.00 0.20 4.39 0.44 0.37 114.58 120.12 1ibl h GLU 58 Ca 0.02 -0.05 -0.07 0.00 0.34 0.00 0.00 59.36 59.60 1ibl h GLU 58 Cb 0.67 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 29.13 1ibl h GLU 58 CO -0.23 0.51 -0.35 -0.92 -1.16 0.00 0.00 179.01 176.86 1ibl h TYR 59 N 0.80 0.00 0.01 4.33 3.20 -0.12 -2.32 116.97 122.87 1ibl h TYR 59 Ca 0.36 0.00 -0.26 0.00 3.14 0.00 0.00 58.73 61.97 1ibl h TYR 59 Cb 0.25 0.00 -0.04 0.00 1.54 0.00 0.00 36.73 38.48 1ibl h TYR 59 CO -0.06 0.35 -1.42 0.28 -1.64 0.00 0.00 178.16 175.66 1ibl n VAL 60 N -3.73 1.55 0.26 1.81 0.31 -0.16 -4.14 118.33 114.23 1ibl n VAL 60 Ca -0.01 -0.10 0.08 0.00 -0.01 0.00 0.00 64.34 64.30 1ibl n VAL 60 Cb 0.44 -2.00 0.64 0.00 -0.91 0.00 0.00 33.84 32.00 1ibl n VAL 60 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 1ibl h GLU 61 N -0.91 0.00 -4.95 5.55 5.08 -0.41 -3.27 114.58 115.67 1ibl h GLU 61 Ca -0.38 0.00 -0.67 0.00 -1.00 0.00 0.00 59.36 57.31 1ibl h GLU 61 Cb 1.39 0.00 -0.32 0.00 0.50 0.00 0.00 28.75 30.32 1ibl h GLU 61 CO -0.21 0.04 -0.76 -0.80 -1.00 0.00 0.00 179.01 176.28 1ibl s ASN 62 N -6.96 4.09 0.00 1.42 -0.87 -0.87 -4.48 114.94 107.27 1ibl s ASN 62 Ca -0.05 -0.75 0.00 0.00 -1.57 0.00 0.00 52.86 50.49 1ibl s ASN 62 Cb 0.17 -1.64 0.00 0.00 -0.02 0.00 0.00 41.25 39.75 1ibl s ASN 62 CO 0.66 -0.08 0.00 1.07 -2.57 0.00 0.00 177.10 176.18 1ibl n THR 63 N 4.68 0.00 -3.88 1.60 5.66 -1.26 -4.35 114.28 116.74 1ibl n THR 63 Ca -0.18 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 60.74 1ibl n THR 63 Cb 0.48 0.00 -0.08 0.00 -1.55 0.00 0.00 70.33 69.19 1ibl n THR 63 CO 0.00 0.00 0.00 0.26 -3.05 0.00 0.00 175.07 172.28 1ibl s TRP 64 N -0.06 0.17 -0.16 1.09 0.51 -1.23 -5.10 118.94 114.16 1ibl s TRP 64 Ca 0.00 -0.59 -0.16 0.00 -2.12 0.00 0.00 56.10 53.23 1ibl s TRP 64 Cb 0.00 -0.09 -0.04 0.00 -0.81 0.00 0.00 33.47 32.53 1ibl s TRP 64 CO 0.00 -0.51 0.40 0.21 -0.51 0.00 0.00 176.95 176.54 1ibl s LYS 65 N -3.70 4.27 0.00 4.98 2.20 -1.26 -4.81 119.74 121.42 1ibl s LYS 65 Ca 0.04 0.27 0.00 0.00 -0.36 0.00 0.00 55.97 55.92 1ibl s LYS 65 Cb 0.04 -3.46 0.00 0.00 -1.51 0.00 0.00 37.83 32.90 1ibl s LYS 65 CO -0.10 0.12 0.00 1.28 -0.36 0.00 0.00 175.35 176.29 1ibl n LEU 66 N 3.90 0.00 0.00 5.43 4.77 -1.26 -4.69 117.00 125.15 1ibl n LEU 66 Ca -0.09 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.89 1ibl n LEU 66 Cb 0.51 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 1ibl n LEU 66 CO 0.41 0.00 0.00 -0.62 -1.33 0.00 0.00 177.39 175.85 1ibl n GLU 67 N 0.00 0.00 -0.04 3.23 -0.58 -1.26 -0.67 120.64 121.32 1ibl n GLU 67 Ca 0.00 0.00 -0.02 0.00 -0.42 0.00 0.00 57.16 56.72 1ibl n GLU 67 Cb 0.00 0.00 -0.01 0.00 -0.57 0.00 0.00 31.44 30.86 1ibl n GLU 67 CO 0.00 0.00 0.00 0.78 -0.48 0.00 0.00 177.13 177.43 1ibl h GLY 68 N 0.00 -2.09 -0.64 0.62 0.00 -1.99 -1.85 103.07 97.12 1ibl h GLY 68 Ca 0.00 0.94 0.35 0.00 0.00 0.00 0.00 47.33 48.62 1ibl h GLY 68 CO 0.00 -0.75 0.57 -2.09 0.00 0.00 0.00 176.54 174.27 1ibl h GLU 69 N -0.03 0.24 0.64 4.80 4.81 -1.93 0.50 114.58 123.61 1ibl h GLU 69 Ca 0.01 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.20 1ibl h GLU 69 Cb 0.07 -0.05 0.01 0.00 0.63 0.00 0.00 28.75 29.40 1ibl h GLU 69 CO -0.10 0.16 -0.31 1.25 -0.73 0.00 0.00 179.01 179.28 1ibl h LEU 70 N 0.25 -0.73 -0.29 1.64 6.46 -0.10 -2.73 115.31 119.81 1ibl h LEU 70 Ca 0.76 -0.01 0.06 0.00 -0.12 0.00 0.00 57.88 58.58 1ibl h LEU 70 Cb 1.83 0.19 -0.08 0.00 -0.73 0.00 0.00 40.66 41.86 1ibl h LEU 70 CO -0.63 -0.45 -0.35 0.03 -0.62 0.00 0.00 178.44 176.42 1ibl h ARG 71 N -0.98 -0.32 -0.98 1.25 3.08 -0.36 0.14 114.38 116.21 1ibl h ARG 71 Ca -0.09 0.02 0.29 0.00 0.07 0.00 0.00 59.98 60.27 1ibl h ARG 71 Cb 0.70 0.07 -0.04 0.00 0.08 0.00 0.00 29.97 30.78 1ibl h ARG 71 CO 0.15 -0.21 0.75 0.00 -1.07 0.00 0.00 179.97 179.58 1ibl h ALA 72 N 0.55 2.90 0.26 0.04 0.00 -1.23 0.11 119.26 121.88 1ibl h ALA 72 Ca 0.13 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1ibl h ALA 72 Cb 0.56 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1ibl h ALA 72 CO -0.47 -1.26 -0.13 1.49 0.00 0.00 0.00 179.25 178.88 1ibl h GLU 73 N 0.00 -0.34 -0.53 0.00 4.81 -0.39 -0.53 114.58 117.59 1ibl h GLU 73 Ca 0.47 0.02 0.06 0.00 -0.13 0.00 0.00 59.36 59.78 1ibl h GLU 73 Cb 1.96 0.08 -0.05 0.00 0.63 0.00 0.00 28.75 31.36 1ibl h GLU 73 CO -0.00 0.01 0.24 0.28 -0.73 0.00 0.00 179.01 178.81 1ibl h VAL 74 N -0.87 0.89 -0.98 0.32 2.07 -0.85 1.38 116.25 118.21 1ibl h VAL 74 Ca -0.04 -0.16 0.17 0.00 0.82 0.00 0.00 66.70 67.50 1ibl h VAL 74 Cb 0.51 0.39 -0.09 0.00 -1.52 0.00 0.00 31.29 30.58 1ibl h VAL 74 CO 0.06 0.08 0.61 0.00 0.02 0.00 0.00 177.57 178.35 1ibl h ALA 75 N 1.32 1.73 -0.18 1.67 0.00 -0.83 0.27 119.26 123.25 1ibl h ALA 75 Ca 0.25 0.05 -0.12 0.00 0.00 0.00 0.00 54.91 55.09 1ibl h ALA 75 Cb 0.21 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1ibl h ALA 75 CO -0.21 -0.05 -0.36 0.00 0.00 0.00 0.00 179.25 178.64 1ibl h ALA 76 N 1.61 0.28 0.46 0.00 0.00 0.17 -1.70 119.26 120.08 1ibl h ALA 76 Ca 0.53 -0.44 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1ibl h ALA 76 Cb 0.83 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 1ibl h ALA 76 CO -0.31 0.35 -0.27 -0.91 0.00 0.00 0.00 179.25 178.11 1ibl h ASN 77 N 0.20 -0.67 -0.51 0.00 2.35 0.36 -0.39 115.58 116.92 1ibl h ASN 77 Ca 0.00 0.03 0.10 0.00 -0.55 0.00 0.00 56.30 55.89 1ibl h ASN 77 Cb 0.96 0.19 -0.10 0.00 0.05 0.00 0.00 38.32 39.41 1ibl h ASN 77 CO 0.08 -0.42 -0.24 0.40 -1.65 0.00 0.00 177.43 175.60 1ibl h ILE 78 N -0.68 0.31 -0.60 2.81 2.04 -0.66 0.85 117.51 121.57 1ibl h ILE 78 Ca -0.06 0.00 0.15 0.00 1.00 0.00 0.00 64.86 65.94 1ibl h ILE 78 Cb 0.54 0.31 -0.03 0.00 -0.74 0.00 0.00 36.82 36.90 1ibl h ILE 78 CO 0.07 0.00 0.42 0.50 0.00 0.00 0.00 178.15 179.14 1ibl h LYS 79 N -0.12 0.17 0.00 2.37 3.64 -1.24 -1.83 116.57 119.56 1ibl h LYS 79 Ca 0.24 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.61 1ibl h LYS 79 Cb 0.49 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.27 1ibl h LYS 79 CO -0.59 0.11 0.00 -2.13 -2.27 0.00 0.00 179.45 174.57 1ibl n ARG 80 N -4.42 0.00 0.18 1.90 0.63 0.29 0.29 116.66 115.53 1ibl n ARG 80 Ca 0.11 0.22 0.08 0.00 -0.92 0.00 0.00 57.85 57.34 1ibl n ARG 80 Cb 0.55 -1.21 0.41 0.00 0.45 0.00 0.00 32.46 32.67 1ibl n ARG 80 CO 0.00 0.00 0.00 1.37 -2.51 0.00 0.00 177.63 176.49 1ibl h LEU 81 N 0.00 0.00 0.10 6.15 -0.00 -1.41 1.63 115.31 121.78 1ibl h LEU 81 Ca 0.00 0.00 -0.29 0.00 -0.00 0.00 0.00 57.88 57.59 1ibl h LEU 81 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.65 1ibl h LEU 81 CO 0.00 0.00 -1.45 -0.03 -0.00 0.00 0.00 178.44 176.96 1ibl h MET 82 N 0.00 0.21 0.00 0.17 4.05 -1.03 -3.27 114.93 115.06 1ibl h MET 82 Ca 0.00 -0.36 -0.09 0.00 -0.28 0.00 0.00 59.70 58.97 1ibl h MET 82 Cb 0.56 0.13 -0.01 0.00 -0.80 0.00 0.00 31.60 31.48 1ibl h MET 82 CO 0.00 1.08 -0.43 -0.44 0.23 0.00 0.00 176.91 177.35 1ibl h ASP 83 N 0.06 0.00 -2.75 1.39 3.32 0.70 -3.42 116.42 115.71 1ibl h ASP 83 Ca -0.21 0.00 -0.66 0.00 0.02 0.00 0.00 57.03 56.18 1ibl h ASP 83 Cb 1.99 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 41.46 1ibl h ASP 83 CO 0.16 0.43 -0.48 0.27 -1.72 0.00 0.00 179.24 177.90 1ibl s ILE 84 N -3.56 5.47 0.00 0.35 -4.36 -0.74 -5.01 121.20 113.35 1ibl s ILE 84 Ca 0.00 0.20 0.00 0.00 -0.26 0.00 0.00 60.65 60.59 1ibl s ILE 84 Cb 0.11 -3.40 0.00 0.00 1.25 0.00 0.00 42.46 40.42 1ibl s ILE 84 CO 0.70 0.59 0.00 0.61 0.24 0.00 0.00 174.94 177.09 1ibl n GLY 85 N 2.22 0.00 1.27 6.27 0.00 -1.26 -4.77 105.19 108.92 1ibl n GLY 85 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.83 1ibl n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ibl h TYR 87 N 2.72 -0.00 -0.98 0.00 3.20 -1.88 0.53 116.97 120.56 1ibl h TYR 87 Ca 0.00 0.01 0.27 0.00 3.14 0.00 0.00 58.73 62.16 1ibl h TYR 87 Cb 0.00 0.03 -0.14 0.00 1.54 0.00 0.00 36.73 38.16 1ibl h TYR 87 CO 0.00 -0.02 0.54 -0.09 -1.64 0.00 0.00 178.16 176.95 1ibl h ARG 88 N 0.07 0.42 0.27 1.82 9.65 -1.88 0.22 114.38 124.95 1ibl h ARG 88 Ca 0.09 -0.03 -0.01 0.00 -1.10 0.00 0.00 59.98 58.93 1ibl h ARG 88 Cb 0.11 -0.10 0.00 0.00 -1.39 0.00 0.00 29.97 28.59 1ibl h ARG 88 CO -0.15 0.28 -0.13 0.78 2.80 0.00 0.00 179.97 183.55 1ibl h GLY 89 N 0.44 -0.38 0.08 2.80 0.00 -0.98 -2.86 103.07 102.15 1ibl h GLY 89 Ca 0.66 0.14 0.12 0.00 0.00 0.00 0.00 47.33 48.26 1ibl h GLY 89 CO -0.55 -0.14 0.09 1.41 0.00 0.00 0.00 176.54 177.36 1ibl h LEU 90 N -0.53 -0.08 -1.55 3.11 3.38 0.30 0.14 115.31 120.08 1ibl h LEU 90 Ca -0.04 0.13 0.06 0.00 0.09 0.00 0.00 57.88 58.12 1ibl h LEU 90 Cb 0.39 0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.31 1ibl h LEU 90 CO 0.06 -0.04 0.38 0.03 0.09 0.00 0.00 178.44 178.97 1ibl h ARG 91 N 0.21 0.54 -0.13 1.13 2.47 -1.06 0.51 114.38 118.06 1ibl h ARG 91 Ca 0.33 -0.03 -0.13 0.00 -1.26 0.00 0.00 59.98 58.88 1ibl h ARG 91 Cb 0.51 -0.12 -0.01 0.00 -1.65 0.00 0.00 29.97 28.70 1ibl h ARG 91 CO -0.45 0.36 -0.50 0.45 0.56 0.00 0.00 179.97 180.39 1ibl h HIS 92 N 0.56 0.43 0.00 3.04 3.86 -0.58 -0.98 115.15 121.48 1ibl h HIS 92 Ca 0.25 -0.14 0.00 0.00 -1.16 0.00 0.00 60.37 59.32 1ibl h HIS 92 Cb 0.27 -0.09 0.00 0.00 1.06 0.00 0.00 27.41 28.65 1ibl h HIS 92 CO -0.00 0.78 0.00 0.54 0.86 0.00 0.00 177.93 180.11 1ibl n ARG 93 N -3.96 0.00 -0.28 2.45 5.12 0.14 -3.73 116.66 116.39 1ibl n ARG 93 Ca -0.02 0.35 -0.05 0.00 -1.93 0.00 0.00 57.85 56.20 1ibl n ARG 93 Cb 0.55 -1.26 0.00 0.00 -1.16 0.00 0.00 32.46 30.60 1ibl n ARG 93 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1ibl h ARG 94 N 0.00 -0.11 0.00 5.56 2.47 -0.36 -3.46 114.38 118.48 1ibl h ARG 94 Ca 0.00 0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.73 1ibl h ARG 94 Cb 0.00 0.02 0.00 0.00 -1.65 0.00 0.00 29.97 28.34 1ibl h ARG 94 CO 0.00 -0.07 0.00 0.41 0.56 0.00 0.00 179.97 180.87 1ibl n GLY 95 N -1.43 1.80 3.97 0.04 0.00 -0.42 -5.09 105.19 104.06 1ibl n GLY 95 Ca 0.06 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.87 1ibl n GLY 95 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ibl s LEU 96 N 0.00 4.16 1.08 0.99 1.43 -0.90 -4.38 118.68 121.07 1ibl s LEU 96 Ca 0.00 0.07 -0.18 0.00 -1.03 0.00 0.00 54.13 52.99 1ibl s LEU 96 Cb 0.00 -2.91 0.08 0.00 0.03 0.00 0.00 46.19 43.39 1ibl s LEU 96 CO 0.00 -0.22 0.05 -0.81 0.23 0.00 0.00 176.35 175.60 1ibl n PRO 97 N -1.55 -1.30 0.00 1.29 -0.04 -1.26 -4.51 135.00 127.63 1ibl n PRO 97 Ca -0.06 -0.36 0.00 0.00 -0.04 0.00 0.00 63.50 63.04 1ibl n PRO 97 Cb 0.57 -1.71 0.00 0.00 -0.04 0.00 0.00 33.50 32.32 1ibl n PRO 97 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 1ibl n VAL 98 N -4.23 0.00 -2.50 0.52 0.24 -1.26 -4.85 118.33 106.25 1ibl n VAL 98 Ca 0.02 -0.14 -0.41 0.00 -2.04 0.00 0.00 64.34 61.77 1ibl n VAL 98 Cb 0.61 0.63 0.01 0.00 -1.47 0.00 0.00 33.84 33.62 1ibl n VAL 98 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1ibl n ARG 99 N -0.73 5.20 -3.65 7.34 1.74 -1.26 -4.86 116.66 120.45 1ibl n ARG 99 Ca 0.00 -4.37 -0.24 0.00 -0.77 0.00 0.00 57.85 52.47 1ibl n ARG 99 Cb 0.00 -2.51 0.01 0.00 -1.02 0.00 0.00 32.46 28.93 1ibl n ARG 99 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ibl n GLY 100 N 0.45 -1.04 3.39 -0.13 0.00 -1.26 -4.99 105.19 101.60 1ibl n GLY 100 Ca 0.50 0.72 -0.19 0.00 0.00 0.00 0.00 46.02 47.04 1ibl n GLY 100 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ibl s GLN 101 N -4.24 1.48 0.02 1.61 -0.21 -1.26 -5.13 119.66 111.92 1ibl s GLN 101 Ca 0.08 -1.77 -0.24 0.00 0.02 0.00 0.00 55.36 53.45 1ibl s GLN 101 Cb -0.01 -0.81 -0.05 0.00 1.00 0.00 0.00 33.01 33.14 1ibl s GLN 101 CO 0.88 -0.09 0.71 -0.98 -2.12 0.00 0.00 175.29 173.68 1ibl s ARG 102 N -3.84 4.44 -0.23 2.91 1.70 -1.26 -4.98 118.95 117.68 1ibl s ARG 102 Ca 0.31 0.95 0.07 0.00 -0.47 0.00 0.00 55.73 56.59 1ibl s ARG 102 Cb 0.06 -3.37 -0.19 0.00 -0.57 0.00 0.00 34.95 30.88 1ibl s ARG 102 CO 0.12 0.28 -0.12 0.25 -1.08 0.00 0.00 175.30 174.74 1ibl n THR 103 N 2.91 1.40 -0.26 4.99 -2.24 -1.26 -4.41 114.28 115.42 1ibl n THR 103 Ca -0.03 -0.64 0.16 0.00 -2.27 0.00 0.00 64.05 61.26 1ibl n THR 103 Cb 0.51 -1.08 0.31 0.00 -2.10 0.00 0.00 70.33 67.97 1ibl n THR 103 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1ibl n ARG 104 N -3.06 -0.06 -4.49 -0.78 0.63 -1.26 -4.34 116.66 103.31 1ibl n ARG 104 Ca -0.40 1.12 -0.23 0.00 -0.92 0.00 0.00 57.85 57.42 1ibl n ARG 104 Cb 1.03 -1.86 -0.10 0.00 0.45 0.00 0.00 32.46 31.98 1ibl n ARG 104 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 1ibl s THR 105 N -5.51 1.10 0.00 5.15 -4.23 -1.26 -5.08 115.64 105.81 1ibl s THR 105 Ca -0.09 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.42 1ibl s THR 105 Cb 0.24 -2.68 0.00 0.00 1.34 0.00 0.00 72.50 71.40 1ibl s THR 105 CO 0.60 0.00 0.00 0.59 -0.54 0.00 0.00 174.62 175.27 1ibl n ASN 106 N -0.85 -0.26 -0.08 3.99 3.02 -1.26 -4.83 115.26 114.98 1ibl n ASN 106 Ca -0.04 0.00 -0.01 0.00 -0.03 0.00 0.00 54.58 54.50 1ibl n ASN 106 Cb 0.66 0.00 -0.00 0.00 -0.61 0.00 0.00 39.78 39.83 1ibl n ASN 106 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ibl n ALA 107 N 3.31 -0.02 -0.10 5.41 0.00 -1.26 -4.86 120.51 122.98 1ibl n ALA 107 Ca 0.00 0.02 -0.10 0.00 0.00 0.00 0.00 53.44 53.35 1ibl n ALA 107 Cb 0.00 -0.38 -0.03 0.00 0.00 0.00 0.00 19.45 19.04 1ibl n ALA 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ibl h ARG 108 N 0.57 0.50 -0.00 0.00 2.47 -1.88 -1.25 114.38 114.79 1ibl h ARG 108 Ca -0.02 -0.12 0.00 0.00 -1.26 0.00 0.00 59.98 58.58 1ibl h ARG 108 Cb 0.16 -0.07 0.00 0.00 -1.65 0.00 0.00 29.97 28.41 1ibl h ARG 108 CO 0.03 0.57 0.00 -2.37 0.56 0.00 0.00 179.97 178.76 1ibl n THR 109 N -4.65 0.00 -0.22 2.04 5.66 -1.26 -0.71 114.28 115.14 1ibl n THR 109 Ca -0.02 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.98 1ibl n THR 109 Cb 0.19 -0.47 0.00 0.00 -1.55 0.00 0.00 70.33 68.50 1ibl n THR 109 CO 0.00 0.00 0.00 -1.14 -3.05 0.00 0.00 175.07 170.88 1ibl n ARG 110 N -0.47 1.67 0.01 1.09 0.63 -1.13 -4.82 116.66 113.64 1ibl n ARG 110 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1ibl n ARG 110 Cb 0.00 -0.14 -0.11 0.00 0.45 0.00 0.00 32.46 32.67 1ibl n ARG 110 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 1ibl n LYS 111 N 0.00 0.64 0.00 -0.14 5.02 -0.49 -4.70 118.16 118.49 1ibl n LYS 111 Ca 0.00 0.12 0.00 0.00 -2.02 0.00 0.00 58.31 56.41 1ibl n LYS 111 Cb 0.00 -1.72 0.00 0.00 -0.02 0.00 0.00 35.03 33.29 1ibl n LYS 111 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ibl n GLY 112 N 1.43 -1.72 3.53 0.72 0.00 0.12 -4.98 105.19 104.28 1ibl n GLY 112 Ca -0.12 -2.00 -0.32 0.00 0.00 0.00 0.00 46.02 43.58 1ibl n GLY 112 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1ibl n PRO 113 N 0.00 -0.64 -2.53 1.61 -0.02 -1.26 -4.77 135.00 127.38 1ibl n PRO 113 Ca 0.00 -0.14 -0.43 0.00 -2.02 0.00 0.00 63.50 60.91 1ibl n PRO 113 Cb 0.00 -2.12 -0.02 0.00 -0.02 0.00 0.00 33.50 31.34 1ibl n PRO 113 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1ibl s ARG 114 N -4.15 3.93 -1.30 -0.52 0.52 -1.26 -4.93 118.95 111.22 1ibl s ARG 114 Ca 0.62 1.05 -0.10 0.00 -0.52 0.00 0.00 55.73 56.78 1ibl s ARG 114 Cb -0.22 -3.84 0.15 0.00 0.52 0.00 0.00 34.95 31.56 1ibl s ARG 114 CO 0.63 -1.10 1.90 1.63 0.02 0.00 0.00 175.30 178.38 1ibl n LYS 115 N 7.27 3.48 -1.52 3.54 4.01 -1.26 -4.99 118.16 128.69 1ibl n LYS 115 Ca 0.13 -3.40 -0.43 0.00 -0.51 0.00 0.00 58.31 54.10 1ibl n LYS 115 Cb 0.47 -3.00 0.00 0.00 -0.51 0.00 0.00 35.03 32.00 1ibl n LYS 115 CO 0.00 0.00 0.00 2.41 -1.11 0.00 0.00 177.40 178.70 1ibl n THR 116 N 3.72 2.03 -4.14 -0.18 -1.04 -1.26 -5.01 114.28 108.40 1ibl n THR 116 Ca 0.42 -0.50 -0.10 0.00 -2.04 0.00 0.00 64.05 61.83 1ibl n THR 116 Cb 0.37 -0.76 -0.10 0.00 -1.82 0.00 0.00 70.33 68.02 1ibl n THR 116 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1ibl s VAL 117 N -1.29 0.57 0.35 12.58 1.01 -1.26 -5.12 120.40 127.23 1ibl s VAL 117 Ca 0.62 -1.84 -0.29 0.00 0.00 0.00 0.00 61.98 60.48 1ibl s VAL 117 Cb -0.64 -1.56 -0.11 0.00 0.00 0.00 0.00 36.38 34.07 1ibl s VAL 117 CO 0.58 -0.86 1.50 0.00 0.00 0.00 0.00 175.10 176.31 1ibl n ALA 118 N 0.11 2.29 -0.98 5.51 0.00 -1.26 -5.33 120.51 120.85 1ibl n ALA 118 Ca -0.13 0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.66 1ibl n ALA 118 Cb 0.60 -2.41 0.00 0.00 0.00 0.00 0.00 19.45 17.64 1ibl n ALA 118 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91