#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t12 n ILE 2 N 0.00 1.88 -3.55 0.00 -0.00 -1.26 -5.03 119.36 111.40 1t12 n ILE 2 Ca 0.00 -0.48 -0.16 0.00 -0.00 0.00 0.00 62.75 62.11 1t12 n ILE 2 Cb 0.00 -0.60 -0.06 0.00 -0.00 0.00 0.00 39.64 38.98 1t12 n ILE 2 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 176.55 175.66 1t12 s THR 3 N -1.79 0.00 0.44 7.28 2.01 -1.26 -5.05 115.64 117.27 1t12 s THR 3 Ca 0.66 0.00 0.18 0.00 0.31 0.00 0.00 61.69 62.84 1t12 s THR 3 Cb -0.43 -1.00 0.37 0.00 0.01 0.00 0.00 72.50 71.45 1t12 s THR 3 CO 0.57 0.00 1.92 0.00 -0.69 0.00 0.00 174.62 176.42 1t12 h GLY 5 N 0.34 0.11 0.99 0.00 0.00 -1.98 0.37 103.07 102.90 1t12 h GLY 5 Ca 0.37 0.08 -0.00 0.00 0.00 0.00 0.00 47.33 47.78 1t12 h GLY 5 CO -0.11 -0.08 0.28 1.46 0.00 0.00 0.00 176.54 178.09 1t12 h GLN 6 N -0.02 0.63 0.51 4.80 7.50 -1.82 0.25 115.11 126.96 1t12 h GLN 6 Ca 0.09 -0.06 -0.02 0.00 0.50 0.00 0.00 58.65 59.17 1t12 h GLN 6 Cb 0.16 -0.13 -0.01 0.00 0.05 0.00 0.00 27.48 27.55 1t12 h GLN 6 CO -0.20 0.46 -0.32 0.28 -1.50 0.00 0.00 178.83 177.55 1t12 h VAL 7 N 0.62 0.35 -0.95 -0.54 2.07 -1.04 0.30 116.25 117.05 1t12 h VAL 7 Ca 0.17 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.71 1t12 h VAL 7 Cb -0.01 0.35 -0.05 0.00 -1.52 0.00 0.00 31.29 30.06 1t12 h VAL 7 CO -0.03 0.00 0.63 0.74 0.02 0.00 0.00 177.57 178.93 1t12 h THR 8 N -0.79 1.19 0.18 2.57 2.02 -0.14 -1.29 112.91 116.65 1t12 h THR 8 Ca -0.06 -0.42 -0.01 0.00 0.77 0.00 0.00 66.41 66.69 1t12 h THR 8 Cb 0.65 -0.15 0.00 0.00 -1.74 0.00 0.00 68.15 66.91 1t12 h THR 8 CO 0.05 0.23 -0.08 0.28 0.37 0.00 0.00 175.52 176.37 1t12 h SER 9 N 1.23 -0.20 -0.69 4.18 0.02 -0.53 -2.16 113.55 115.41 1t12 h SER 9 Ca 0.37 -0.14 0.17 0.00 -0.84 0.00 0.00 61.79 61.35 1t12 h SER 9 Cb -0.05 0.05 -0.04 0.00 0.14 0.00 0.00 62.40 62.50 1t12 h SER 9 CO -0.10 0.02 0.48 0.78 -1.14 0.00 0.00 176.83 176.86 1t12 h ASN 10 N -0.42 0.18 0.00 3.07 4.21 -0.43 0.13 115.58 122.33 1t12 h ASN 10 Ca -0.02 0.01 0.00 0.00 1.21 0.00 0.00 56.30 57.50 1t12 h ASN 10 Cb 0.32 -0.02 0.00 0.00 -1.12 0.00 0.00 38.32 37.50 1t12 h ASN 10 CO 0.04 0.09 0.00 0.18 -1.29 0.00 0.00 177.43 176.45 1t12 n LEU 11 N -4.41 0.00 -0.22 1.61 4.77 -0.53 -4.51 117.00 113.70 1t12 n LEU 11 Ca 0.13 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 56.04 1t12 n LEU 11 Cb 0.62 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.69 1t12 n LEU 11 CO 0.35 0.00 0.58 0.00 -1.33 0.00 0.00 177.39 176.99 1t12 h ALA 12 N 2.82 -0.27 0.00 -1.18 0.00 -0.72 0.60 119.26 120.51 1t12 h ALA 12 Ca 0.00 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1t12 h ALA 12 Cb 0.00 0.95 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1t12 h ALA 12 CO 0.00 -0.80 0.00 -1.00 0.00 0.00 0.00 179.25 177.45 1t12 h PRO 13 N -0.20 0.00 -0.02 0.00 0.13 -1.87 -3.07 132.00 126.98 1t12 h PRO 13 Ca 0.20 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.30 1t12 h PRO 13 Cb 0.56 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.69 1t12 h PRO 13 CO -0.71 0.00 -0.08 0.00 -0.23 0.00 0.00 178.00 176.98 1t12 h LEU 15 N -0.55 0.01 -0.54 0.00 3.38 -0.52 0.48 115.31 117.57 1t12 h LEU 15 Ca -0.01 0.19 0.02 0.00 0.09 0.00 0.00 57.88 58.18 1t12 h LEU 15 Cb 0.75 0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.72 1t12 h LEU 15 CO 0.02 -0.13 0.33 0.00 0.09 0.00 0.00 178.44 178.74 1t12 h ALA 16 N 1.76 0.69 -0.50 1.53 0.00 -1.51 0.13 119.26 121.36 1t12 h ALA 16 Ca 0.53 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.44 1t12 h ALA 16 Cb 1.06 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 1t12 h ALA 16 CO -0.63 0.05 0.32 -0.92 0.00 0.00 0.00 179.25 178.07 1t12 h TYR 17 N 0.65 0.61 -0.94 0.00 3.20 0.08 -2.51 116.97 118.05 1t12 h TYR 17 Ca 0.22 0.02 0.02 0.00 3.14 0.00 0.00 58.73 62.12 1t12 h TYR 17 Cb 0.01 -0.20 -0.05 0.00 1.54 0.00 0.00 36.73 38.03 1t12 h TYR 17 CO -0.06 0.38 0.62 -0.07 -1.64 0.00 0.00 178.16 177.39 1t12 h LEU 18 N 0.66 1.06 0.00 2.82 3.38 -0.11 -0.61 115.31 122.50 1t12 h LEU 18 Ca 0.19 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1t12 h LEU 18 Cb -0.05 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.44 1t12 h LEU 18 CO -0.05 0.75 0.00 -1.14 0.09 0.00 0.00 178.44 178.09 1t12 n ARG 19 N -4.45 0.20 -2.81 1.13 0.63 0.38 -1.23 116.66 110.50 1t12 n ARG 19 Ca 0.11 0.15 -0.11 0.00 -0.92 0.00 0.00 57.85 57.09 1t12 n ARG 19 Cb 0.05 -1.50 0.05 0.00 0.45 0.00 0.00 32.46 31.51 1t12 n ARG 19 CO 0.00 0.00 0.00 -1.71 -2.51 0.00 0.00 177.63 173.41 1t12 n ASN 20 N -1.28 -5.14 0.00 6.15 2.85 -0.23 -4.84 115.26 112.76 1t12 n ASN 20 Ca 0.07 -0.52 0.00 0.00 -0.11 0.00 0.00 54.58 54.02 1t12 n ASN 20 Cb 0.11 -3.98 0.00 0.00 1.24 0.00 0.00 39.78 37.15 1t12 n ASN 20 CO 0.00 0.00 0.00 1.07 -2.11 0.00 0.00 177.26 176.22 1t12 n THR 21 N -2.82 0.00 -4.05 -0.44 5.66 -1.11 -5.07 114.28 106.44 1t12 n THR 21 Ca -0.07 0.00 -0.22 0.00 -3.05 0.00 0.00 64.05 60.71 1t12 n THR 21 Cb 0.59 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 69.34 1t12 n THR 21 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 1t12 s GLY 22 N -1.69 1.37 0.87 1.09 0.00 -1.10 -4.99 107.32 102.88 1t12 s GLY 22 Ca 0.00 -1.32 -0.13 0.00 0.00 0.00 0.00 44.72 43.27 1t12 s GLY 22 CO 0.00 -1.35 1.23 2.56 0.00 0.00 0.00 173.10 175.54 1t12 s PRO 23 N -3.81 1.32 0.08 2.90 0.04 -1.26 -2.98 135.00 131.29 1t12 s PRO 23 Ca 0.33 -0.25 -0.20 0.00 0.04 0.00 0.00 61.00 60.93 1t12 s PRO 23 Cb -0.09 -1.94 -0.10 0.00 0.04 0.00 0.00 34.50 32.42 1t12 s PRO 23 CO 0.26 -1.96 1.56 -0.07 0.04 0.00 0.00 177.00 176.83 1t12 h LEU 24 N -1.28 0.30 0.00 -3.56 4.07 -1.96 -3.40 115.31 109.49 1t12 h LEU 24 Ca -0.45 -0.24 0.00 0.00 0.08 0.00 0.00 57.88 57.27 1t12 h LEU 24 Cb 1.28 -0.08 0.00 0.00 1.08 0.00 0.00 40.66 42.94 1t12 h LEU 24 CO 0.50 0.47 0.00 0.61 -1.08 0.00 0.00 178.44 178.94 1t12 n GLY 25 N -0.49 3.43 1.10 0.83 0.00 -1.26 -0.28 105.19 108.52 1t12 n GLY 25 Ca -0.04 0.22 0.04 0.00 0.00 0.00 0.00 46.02 46.23 1t12 n GLY 25 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1t12 n ARG 26 N 14.00 2.73 0.02 1.61 1.74 -1.26 -4.35 116.66 131.15 1t12 n ARG 26 Ca 0.00 -1.48 -0.10 0.00 -0.77 0.00 0.00 57.85 55.50 1t12 n ARG 26 Cb 0.00 -1.78 -0.04 0.00 -1.02 0.00 0.00 32.46 29.62 1t12 n ARG 26 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1t12 h GLY 29 N 0.81 0.28 0.91 0.00 0.00 -1.64 0.23 103.07 103.66 1t12 h GLY 29 Ca 0.40 -0.09 -0.00 0.00 0.00 0.00 0.00 47.33 47.64 1t12 h GLY 29 CO -0.16 0.08 0.02 -1.33 0.00 0.00 0.00 176.54 175.15 1t12 h GLY 30 N 0.25 0.06 0.29 4.60 0.00 -0.12 -2.57 103.07 105.58 1t12 h GLY 30 Ca 0.08 -0.03 0.06 0.00 0.00 0.00 0.00 47.33 47.44 1t12 h GLY 30 CO -0.03 0.03 -0.13 -2.08 0.00 0.00 0.00 176.54 174.33 1t12 h VAL 31 N -0.03 0.59 -0.48 4.60 2.07 -0.37 -1.87 116.25 120.77 1t12 h VAL 31 Ca 0.01 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.63 1t12 h VAL 31 Cb 0.09 0.59 -0.10 0.00 -1.52 0.00 0.00 31.29 30.35 1t12 h VAL 31 CO -0.00 0.00 -0.19 0.50 0.02 0.00 0.00 177.57 177.90 1t12 h LYS 32 N -0.08 -0.08 -0.93 1.57 3.64 -0.39 0.15 116.57 120.46 1t12 h LYS 32 Ca 0.15 0.01 0.08 0.00 -1.27 0.00 0.00 60.65 59.61 1t12 h LYS 32 Cb 0.31 0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 32.08 1t12 h LYS 32 CO -0.35 -0.05 0.60 0.00 -2.27 0.00 0.00 179.45 177.38 1t12 h ALA 33 N 1.29 1.52 -0.22 5.00 0.00 -0.95 -1.97 119.26 123.93 1t12 h ALA 33 Ca 0.23 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.04 1t12 h ALA 33 Cb 0.43 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 1t12 h ALA 33 CO -0.53 0.32 -0.17 -0.07 0.00 0.00 0.00 179.25 178.80 1t12 h LEU 34 N 1.02 0.53 -0.41 0.00 3.38 -0.43 -2.55 115.31 116.86 1t12 h LEU 34 Ca 0.41 -0.45 0.07 0.00 0.09 0.00 0.00 57.88 58.01 1t12 h LEU 34 Cb 0.27 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 40.81 1t12 h LEU 34 CO -0.17 0.87 0.04 0.58 0.09 0.00 0.00 178.44 179.85 1t12 h VAL 35 N 0.20 0.74 -0.72 1.22 2.07 -0.16 0.28 116.25 119.89 1t12 h VAL 35 Ca 0.04 -0.05 0.10 0.00 0.82 0.00 0.00 66.70 67.60 1t12 h VAL 35 Cb 0.70 0.57 -0.07 0.00 -1.52 0.00 0.00 31.29 30.96 1t12 h VAL 35 CO 0.04 0.03 0.36 0.78 0.02 0.00 0.00 177.57 178.80 1t12 h ASN 36 N 0.16 0.46 -0.64 0.57 2.35 -1.34 -0.12 115.58 117.03 1t12 h ASN 36 Ca 0.20 0.06 -0.42 0.00 -0.55 0.00 0.00 56.30 55.59 1t12 h ASN 36 Cb 0.26 -0.02 -0.19 0.00 0.05 0.00 0.00 38.32 38.43 1t12 h ASN 36 CO -0.30 0.26 0.54 -1.20 -1.65 0.00 0.00 177.43 175.09 1t12 n SER 37 N -4.87 6.41 -2.69 5.81 7.64 0.70 -4.26 113.62 122.36 1t12 n SER 37 Ca 0.11 -3.25 -0.06 0.00 1.01 0.00 0.00 58.87 56.67 1t12 n SER 37 Cb 0.28 -0.99 0.10 0.00 -1.01 0.00 0.00 64.21 62.59 1t12 n SER 37 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1t12 n ALA 38 N -0.11 0.71 -2.63 -0.43 0.00 0.45 -4.76 120.51 113.75 1t12 n ALA 38 Ca 0.40 -1.16 -0.00 0.00 0.00 0.00 0.00 53.44 52.68 1t12 n ALA 38 Cb 0.69 -1.00 0.05 0.00 0.00 0.00 0.00 19.45 19.18 1t12 n ALA 38 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1t12 n ARG 39 N -0.60 1.07 -2.66 0.00 5.12 -1.20 -4.02 116.66 114.38 1t12 n ARG 39 Ca -0.07 -2.35 -0.09 0.00 -1.93 0.00 0.00 57.85 53.42 1t12 n ARG 39 Cb 0.82 -0.53 0.03 0.00 -1.16 0.00 0.00 32.46 31.62 1t12 n ARG 39 CO 0.00 0.00 0.00 -2.37 -1.93 0.00 0.00 177.63 173.33 1t12 n THR 40 N -0.53 0.97 0.00 0.55 5.66 -1.26 -4.95 114.28 114.73 1t12 n THR 40 Ca -0.03 -3.04 0.00 0.00 -3.05 0.00 0.00 64.05 57.93 1t12 n THR 40 Cb 0.88 0.67 0.00 0.00 -1.55 0.00 0.00 70.33 70.33 1t12 n THR 40 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 175.07 172.43 1t12 n THR 41 N -0.07 0.00 0.43 1.09 -1.04 -1.26 -4.28 114.28 109.15 1t12 n THR 41 Ca 0.09 0.00 -0.19 0.00 -2.04 0.00 0.00 64.05 61.91 1t12 n THR 41 Cb 0.82 0.00 -0.09 0.00 -1.82 0.00 0.00 70.33 69.24 1t12 n THR 41 CO 0.00 0.00 0.00 -0.08 -0.64 0.00 0.00 175.07 174.35 1t12 h GLU 42 N 0.00 -1.03 -0.74 -2.82 4.81 -1.96 -2.09 114.58 110.75 1t12 h GLU 42 Ca 0.00 0.07 -0.04 0.00 -0.13 0.00 0.00 59.36 59.26 1t12 h GLU 42 Cb 0.00 0.23 -0.03 0.00 0.63 0.00 0.00 28.75 29.58 1t12 h GLU 42 CO 0.00 -0.68 0.32 0.38 -0.73 0.00 0.00 179.01 178.31 1t12 h ASP 43 N -1.11 1.00 -0.82 1.04 2.03 -1.90 -2.33 116.42 114.34 1t12 h ASP 43 Ca -0.11 -0.16 0.19 0.00 -0.73 0.00 0.00 57.03 56.22 1t12 h ASP 43 Cb 0.83 -0.26 -0.12 0.00 -0.83 0.00 0.00 39.33 38.95 1t12 h ASP 43 CO 0.18 0.88 0.28 -0.09 -1.03 0.00 0.00 179.24 179.46 1t12 h ARG 44 N 1.06 0.33 -0.25 4.15 9.65 -1.67 -0.67 114.38 126.97 1t12 h ARG 44 Ca 0.25 -0.02 -0.01 0.00 -1.10 0.00 0.00 59.98 59.10 1t12 h ARG 44 Cb 0.17 -0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 28.67 1t12 h ARG 44 CO -0.03 0.22 0.12 1.96 2.80 0.00 0.00 179.97 185.04 1t12 h GLN 45 N 0.34 0.36 0.06 0.20 4.20 -0.81 0.40 115.11 119.86 1t12 h GLN 45 Ca 0.48 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 59.14 1t12 h GLN 45 Cb 0.87 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.59 1t12 h GLN 45 CO -0.52 0.37 -0.03 0.82 -0.67 0.00 0.00 178.83 178.79 1t12 h ILE 46 N 0.27 1.03 -0.33 2.54 1.08 -1.16 -1.12 117.51 119.82 1t12 h ILE 46 Ca 0.09 -0.29 0.02 0.00 -0.39 0.00 0.00 64.86 64.29 1t12 h ILE 46 Cb 0.12 1.22 -0.03 0.00 -3.07 0.00 0.00 36.82 35.06 1t12 h ILE 46 CO -0.01 0.07 0.17 0.00 -0.69 0.00 0.00 178.15 177.69 1t12 h ALA 47 N 0.73 0.41 -0.50 1.87 0.00 -1.10 0.30 119.26 120.96 1t12 h ALA 47 Ca -0.01 0.01 0.10 0.00 0.00 0.00 0.00 54.91 55.01 1t12 h ALA 47 Cb 0.18 -0.06 -0.10 0.00 0.00 0.00 0.00 17.79 17.81 1t12 h ALA 47 CO 0.01 -0.20 -0.14 0.00 0.00 0.00 0.00 179.25 178.93 1t12 h THR 49 N -0.01 1.26 -0.24 0.00 2.02 -0.53 -0.29 112.91 115.11 1t12 h THR 49 Ca 0.24 -0.84 -0.11 0.00 0.77 0.00 0.00 66.41 66.47 1t12 h THR 49 Cb 0.38 0.43 -0.00 0.00 -1.74 0.00 0.00 68.15 67.22 1t12 h THR 49 CO -0.52 0.33 -0.27 0.00 0.37 0.00 0.00 175.52 175.43 1t12 h LEU 51 N 0.31 -0.04 -0.29 0.00 3.38 0.33 0.55 115.31 119.56 1t12 h LEU 51 Ca 0.03 0.02 0.07 0.00 0.09 0.00 0.00 57.88 58.09 1t12 h LEU 51 Cb 0.84 0.04 -0.07 0.00 0.09 0.00 0.00 40.66 41.56 1t12 h LEU 51 CO 0.07 -0.00 -0.19 0.50 0.09 0.00 0.00 178.44 178.91 1t12 h LYS 52 N 0.04 -0.15 -0.17 1.13 3.64 -0.96 0.76 116.57 120.86 1t12 h LYS 52 Ca 0.05 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 1t12 h LYS 52 Cb 0.06 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.90 1t12 h LYS 52 CO -0.09 -0.10 0.11 1.03 -2.27 0.00 0.00 179.45 178.13 1t12 h SER 53 N -0.16 0.20 -0.18 4.20 0.87 -0.11 0.39 113.55 118.75 1t12 h SER 53 Ca 0.16 -0.03 0.05 0.00 -1.23 0.00 0.00 61.79 60.74 1t12 h SER 53 Cb 0.40 -0.05 -0.06 0.00 -0.44 0.00 0.00 62.40 62.24 1t12 h SER 53 CO -0.39 0.17 -0.26 0.00 -0.53 0.00 0.00 176.83 175.82 1t12 h ALA 54 N 1.04 -0.22 0.18 6.23 0.00 0.53 0.59 119.26 127.61 1t12 h ALA 54 Ca 0.06 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1t12 h ALA 54 Cb 0.00 0.52 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 1t12 h ALA 54 CO -0.01 -0.71 -0.12 0.00 0.00 0.00 0.00 179.25 178.41 1t12 h ALA 55 N 0.65 -0.28 -0.04 0.00 0.00 -0.64 -1.21 119.26 117.74 1t12 h ALA 55 Ca 0.12 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.99 1t12 h ALA 55 Cb 0.48 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 1t12 h ALA 55 CO -0.35 -0.67 0.06 0.78 0.00 0.00 0.00 179.25 179.07 1t12 h GLY 56 N -0.30 0.00 2.00 0.00 0.00 -0.37 -0.54 103.07 103.86 1t12 h GLY 56 Ca -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.31 1t12 h GLY 56 CO 0.01 0.00 -0.05 0.00 0.00 0.00 0.00 176.54 176.50 1t12 h ALA 57 N 1.92 1.19 -2.43 3.60 0.00 0.14 -3.44 119.26 120.25 1t12 h ALA 57 Ca 0.02 -0.05 -0.54 0.00 0.00 0.00 0.00 54.91 54.35 1t12 h ALA 57 Cb 0.13 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1t12 h ALA 57 CO -0.00 0.06 0.40 0.42 0.00 0.00 0.00 179.25 180.14 1t12 s ILE 58 N -4.16 4.70 -0.06 0.00 -1.09 -0.21 -4.96 121.20 115.40 1t12 s ILE 58 Ca -0.03 1.95 -0.22 0.00 -2.23 0.00 0.00 60.65 60.12 1t12 s ILE 58 Cb 0.13 -4.25 -0.17 0.00 -1.58 0.00 0.00 42.46 36.59 1t12 s ILE 58 CO 0.52 0.16 0.87 0.28 -1.23 0.00 0.00 174.94 175.54 1t12 h SER 59 N 6.73 -0.12 -0.85 3.58 0.02 -1.88 -3.13 113.55 117.89 1t12 h SER 59 Ca -0.41 -0.45 -0.44 0.00 -0.84 0.00 0.00 61.79 59.64 1t12 h SER 59 Cb 1.22 0.03 -0.17 0.00 0.14 0.00 0.00 62.40 63.62 1t12 h SER 59 CO 0.76 0.49 0.43 0.61 -1.14 0.00 0.00 176.83 177.97 1t12 n GLY 60 N 0.76 4.34 3.68 -3.77 0.00 -1.26 -4.98 105.19 103.95 1t12 n GLY 60 Ca -0.08 -1.62 -0.45 0.00 0.00 0.00 0.00 46.02 43.87 1t12 n GLY 60 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1t12 n ILE 61 N 0.59 0.25 -3.41 -0.61 3.06 -1.19 -4.51 119.36 113.54 1t12 n ILE 61 Ca 0.43 -0.06 -0.39 0.00 -2.50 0.00 0.00 62.75 60.23 1t12 n ILE 61 Cb 0.56 -1.64 -0.09 0.00 0.54 0.00 0.00 39.64 39.01 1t12 n ILE 61 CO 0.00 0.00 0.00 0.21 -2.50 0.00 0.00 176.55 174.26 1t12 s ASN 62 N 0.81 6.23 0.07 9.51 3.84 -0.36 -4.99 114.94 130.05 1t12 s ASN 62 Ca 0.75 0.26 -0.26 0.00 0.21 0.00 0.00 52.86 53.82 1t12 s ASN 62 Cb -0.63 -2.20 -0.17 0.00 -0.55 0.00 0.00 41.25 37.70 1t12 s ASN 62 CO 0.40 -0.16 1.63 0.25 -2.79 0.00 0.00 177.10 176.43 1t12 h LEU 63 N 8.54 -0.25 -0.71 3.21 6.46 -1.92 -0.99 115.31 129.64 1t12 h LEU 63 Ca -0.32 -0.04 0.05 0.00 -0.12 0.00 0.00 57.88 57.45 1t12 h LEU 63 Cb 1.16 0.07 -0.05 0.00 -0.73 0.00 0.00 40.66 41.11 1t12 h LEU 63 CO 0.64 -0.13 0.42 1.23 -0.62 0.00 0.00 178.44 179.97 1t12 h GLY 64 N -0.36 1.04 1.03 3.75 0.00 -1.98 0.56 103.07 107.11 1t12 h GLY 64 Ca -0.03 -0.30 -0.09 0.00 0.00 0.00 0.00 47.33 46.91 1t12 h GLY 64 CO 0.05 0.21 -0.02 0.50 0.00 0.00 0.00 176.54 177.28 1t12 h LYS 65 N 0.78 0.92 -0.23 4.80 1.57 -1.90 0.72 116.57 123.23 1t12 h LYS 65 Ca 0.31 -0.30 0.01 0.00 -1.87 0.00 0.00 60.65 58.79 1t12 h LYS 65 Cb 0.14 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.35 1t12 h LYS 65 CO -0.16 0.96 0.12 0.00 -0.57 0.00 0.00 179.45 179.79 1t12 h ALA 66 N 0.93 0.27 0.00 3.86 0.00 -0.28 0.84 119.26 124.88 1t12 h ALA 66 Ca 0.14 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.96 1t12 h ALA 66 Cb 0.55 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1t12 h ALA 66 CO 0.03 -0.29 -0.48 0.00 0.00 0.00 0.00 179.25 178.51 1t12 h ALA 67 N 1.11 1.10 0.00 0.00 0.00 -0.77 -2.88 119.26 117.82 1t12 h ALA 67 Ca 0.09 -0.44 -0.00 0.00 0.00 0.00 0.00 54.91 54.56 1t12 h ALA 67 Cb 0.02 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 1t12 h ALA 67 CO -0.06 0.61 -0.01 0.78 0.00 0.00 0.00 179.25 180.57 1t12 h GLY 68 N 1.66 0.00 -0.06 0.00 0.00 0.11 -3.38 103.07 101.40 1t12 h GLY 68 Ca -0.00 0.00 0.05 0.00 0.00 0.00 0.00 47.33 47.38 1t12 h GLY 68 CO 0.06 0.00 -0.40 -2.00 0.00 0.00 0.00 176.54 174.21 1t12 h LEU 69 N 0.00 -1.27 -0.80 3.11 5.85 0.91 0.26 115.31 123.37 1t12 h LEU 69 Ca -0.00 0.18 -0.13 0.00 0.84 0.00 0.00 57.88 58.78 1t12 h LEU 69 Cb 0.99 0.54 -0.01 0.00 0.37 0.00 0.00 40.66 42.55 1t12 h LEU 69 CO 0.00 -0.39 -0.49 1.55 -0.34 0.00 0.00 178.44 178.77 1t12 h PRO 70 N -0.41 0.26 -0.71 5.25 0.13 -1.76 -2.42 132.00 132.33 1t12 h PRO 70 Ca 0.10 -0.15 0.04 0.00 -0.87 0.00 0.00 66.00 65.12 1t12 h PRO 70 Cb 0.60 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 31.69 1t12 h PRO 70 CO -0.45 0.70 0.47 0.77 -0.23 0.00 0.00 178.00 179.26 1t12 h SER 71 N 0.21 0.74 -0.34 1.44 0.02 -1.49 -1.71 113.55 112.41 1t12 h SER 71 Ca 0.01 -0.01 0.04 0.00 -0.84 0.00 0.00 61.79 60.99 1t12 h SER 71 Cb 0.95 -0.17 -0.04 0.00 0.14 0.00 0.00 62.40 63.28 1t12 h SER 71 CO 0.08 0.51 0.10 0.74 -1.14 0.00 0.00 176.83 177.12 1t12 h THR 72 N 0.86 0.88 -2.75 -2.27 2.02 -0.01 -3.10 112.91 108.54 1t12 h THR 72 Ca 0.29 -0.08 -0.67 0.00 0.77 0.00 0.00 66.41 66.71 1t12 h THR 72 Cb 0.07 0.62 -0.38 0.00 -1.74 0.00 0.00 68.15 66.73 1t12 h THR 72 CO -0.08 0.04 -0.20 0.00 0.37 0.00 0.00 175.52 175.66 1t12 n GLY 74 N 1.47 1.11 0.00 0.00 0.00 -0.79 -4.85 105.19 102.12 1t12 n GLY 74 Ca 0.26 0.85 0.00 0.00 0.00 0.00 0.00 46.02 47.12 1t12 n GLY 74 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1t12 n VAL 75 N 6.66 0.00 -1.46 1.61 0.24 -1.26 -5.02 118.33 119.09 1t12 n VAL 75 Ca 0.30 0.00 -0.40 0.00 -2.04 0.00 0.00 64.34 62.20 1t12 n VAL 75 Cb 0.35 0.00 -0.05 0.00 -1.47 0.00 0.00 33.84 32.67 1t12 n VAL 75 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1t12 n ASN 76 N -0.55 2.86 -3.96 -1.34 4.13 -1.26 -4.82 115.26 110.31 1t12 n ASN 76 Ca 0.00 -2.71 -0.30 0.00 1.68 0.00 0.00 54.58 53.25 1t12 n ASN 76 Cb 0.00 -1.32 -0.14 0.00 -1.54 0.00 0.00 39.78 36.77 1t12 n ASN 76 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1t12 s ILE 77 N 6.13 2.29 -1.13 2.41 1.01 -1.26 -4.98 121.20 125.68 1t12 s ILE 77 Ca 0.59 -2.72 -0.07 0.00 0.00 0.00 0.00 60.65 58.44 1t12 s ILE 77 Cb 0.11 -2.65 -0.05 0.00 0.01 0.00 0.00 42.46 39.88 1t12 s ILE 77 CO 0.10 -0.70 2.90 -0.81 0.00 0.00 0.00 174.94 176.44 1t12 n PRO 78 N 3.76 3.52 -3.82 2.79 -0.04 -1.26 -4.86 135.00 135.09 1t12 n PRO 78 Ca 0.04 -2.35 -0.04 0.00 -0.04 0.00 0.00 63.50 61.11 1t12 n PRO 78 Cb 0.37 -2.54 0.00 0.00 -0.04 0.00 0.00 33.50 31.30 1t12 n PRO 78 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 1t12 s TYR 79 N 0.62 -0.01 -0.33 0.54 1.13 -1.26 -5.08 117.35 112.96 1t12 s TYR 79 Ca 0.64 -0.37 0.14 0.00 -1.41 0.00 0.00 57.07 56.06 1t12 s TYR 79 Cb 0.23 0.69 0.46 0.00 -1.10 0.00 0.00 41.96 42.24 1t12 s TYR 79 CO -0.08 -0.95 1.08 0.36 -2.51 0.00 0.00 175.55 173.46 1t12 n LYS 80 N -0.58 2.38 -3.96 -3.49 0.00 -1.26 -4.93 118.16 106.31 1t12 n LYS 80 Ca -0.05 -3.82 -0.28 0.00 -0.00 0.00 0.00 58.31 54.16 1t12 n LYS 80 Cb 0.60 -1.80 -0.06 0.00 -0.00 0.00 0.00 35.03 33.77 1t12 n LYS 80 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.40 176.51 1t12 n ILE 81 N -0.43 -1.11 -2.10 0.58 5.41 -1.26 -4.04 119.36 116.40 1t12 n ILE 81 Ca 0.23 -0.41 -0.42 0.00 1.00 0.00 0.00 62.75 63.15 1t12 n ILE 81 Cb 0.81 -1.04 -0.03 0.00 -0.71 0.00 0.00 39.64 38.67 1t12 n ILE 81 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 176.55 176.11 1t12 s SER 82 N -4.04 6.75 0.00 4.38 0.01 -1.26 -4.72 113.70 114.83 1t12 s SER 82 Ca 0.10 2.33 0.06 0.00 1.31 0.00 0.00 55.95 59.76 1t12 s SER 82 Cb -0.06 -2.57 0.38 0.00 0.21 0.00 0.00 66.02 63.98 1t12 s SER 82 CO 0.79 -0.75 0.78 -2.65 0.41 0.00 0.00 173.24 171.82 1t12 n PRO 83 N 4.76 0.37 -2.03 12.44 -0.02 -1.26 -3.05 135.00 146.21 1t12 n PRO 83 Ca 0.13 0.00 0.02 0.00 -2.02 0.00 0.00 63.50 61.64 1t12 n PRO 83 Cb 0.42 -1.27 0.03 0.00 -0.02 0.00 0.00 33.50 32.66 1t12 n PRO 83 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1t12 n SER 84 N -0.77 1.19 -4.85 2.55 7.64 -1.26 -4.82 113.62 113.30 1t12 n SER 84 Ca 0.05 -2.01 -0.32 0.00 1.01 0.00 0.00 58.87 57.60 1t12 n SER 84 Cb 0.02 -0.36 -0.05 0.00 -1.01 0.00 0.00 64.21 62.82 1t12 n SER 84 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1t12 s THR 85 N -1.50 4.62 -0.14 0.44 -1.32 -1.17 -5.06 115.64 111.51 1t12 s THR 85 Ca 0.31 1.03 -0.15 0.00 -1.21 0.00 0.00 61.69 61.67 1t12 s THR 85 Cb 0.36 -3.68 -0.05 0.00 -1.51 0.00 0.00 72.50 67.62 1t12 s THR 85 CO -0.12 -0.47 0.34 -0.62 -2.21 0.00 0.00 174.62 171.54 1t12 s ASP 86 N -2.78 6.52 -0.34 8.08 -1.08 -1.26 -4.98 116.67 120.83 1t12 s ASP 86 Ca 0.56 0.62 0.16 0.00 -0.52 0.00 0.00 52.55 53.37 1t12 s ASP 86 Cb -0.10 -2.21 0.46 0.00 -1.46 0.00 0.00 42.92 39.61 1t12 s ASP 86 CO 0.25 0.10 1.00 0.00 0.52 0.00 0.00 175.17 177.04 1t12 n SER 88 N -0.20 2.05 -2.91 0.00 3.41 -1.26 -4.46 113.62 110.25 1t12 n SER 88 Ca 0.15 0.16 -0.38 0.00 -0.26 0.00 0.00 58.87 58.54 1t12 n SER 88 Cb 0.79 -0.77 0.03 0.00 -0.26 0.00 0.00 64.21 64.00 1t12 n SER 88 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1t12 n LYS 89 N -3.59 3.03 -2.66 4.33 4.01 -1.26 -5.01 118.16 117.02 1t12 n LYS 89 Ca -0.36 -3.74 -0.35 0.00 -0.51 0.00 0.00 58.31 53.34 1t12 n LYS 89 Cb 0.98 -2.28 -0.05 0.00 -0.51 0.00 0.00 35.03 33.17 1t12 n LYS 89 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 1t12 s VAL 90 N -5.08 3.99 0.00 -0.18 1.01 -1.26 -5.21 120.40 113.67 1t12 s VAL 90 Ca 0.51 1.43 0.00 0.00 0.00 0.00 0.00 61.98 63.91 1t12 s VAL 90 Cb 0.42 -3.69 0.00 0.00 0.00 0.00 0.00 36.38 33.11 1t12 s VAL 90 CO -0.37 -0.09 0.00 0.00 0.00 0.00 0.00 175.10 174.64