#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x66 h SER 2 N 0.00 -0.40 -4.24 1.61 0.87 -2.08 -3.46 113.55 105.86 1x66 h SER 2 Ca 0.00 0.01 -0.53 0.00 -1.23 0.00 0.00 61.79 60.05 1x66 h SER 2 Cb 0.00 0.10 0.17 0.00 -0.44 0.00 0.00 62.40 62.24 1x66 h SER 2 CO 0.00 -0.09 0.30 -0.44 -0.53 0.00 0.00 176.83 176.07 1x66 s SER 3 N -4.23 3.58 0.13 6.23 0.01 -1.26 -4.79 113.70 113.38 1x66 s SER 3 Ca -0.07 2.22 0.00 0.00 1.31 0.00 0.00 55.95 59.41 1x66 s SER 3 Cb 0.01 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.67 1x66 s SER 3 CO 0.21 -2.66 0.00 0.61 0.41 0.00 0.00 173.24 171.80 1x66 n GLY 4 N 0.13 -3.80 3.73 3.44 0.00 -1.26 -4.90 105.19 102.54 1x66 n GLY 4 Ca 0.12 -0.85 -0.42 0.00 0.00 0.00 0.00 46.02 44.88 1x66 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x66 s SER 5 N -1.58 6.76 0.00 1.61 1.04 -1.26 -4.92 113.70 115.34 1x66 s SER 5 Ca 0.00 2.51 -0.01 0.00 0.48 0.00 0.00 55.95 58.94 1x66 s SER 5 Cb 0.00 -2.61 -0.00 0.00 0.10 0.00 0.00 66.02 63.51 1x66 s SER 5 CO 0.00 -0.65 -0.01 -1.54 0.98 0.00 0.00 173.24 172.02 1x66 n SER 6 N 2.89 0.14 0.00 7.02 3.41 -1.26 -5.13 113.62 120.69 1x66 n SER 6 Ca 0.08 0.02 0.00 0.00 -0.26 0.00 0.00 58.87 58.71 1x66 n SER 6 Cb 0.41 -0.20 0.00 0.00 -0.26 0.00 0.00 64.21 64.16 1x66 n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x66 n GLY 7 N 2.83 0.82 3.69 5.00 0.00 -1.26 -5.11 105.19 111.16 1x66 n GLY 7 Ca -0.00 -2.08 -0.29 0.00 0.00 0.00 0.00 46.02 43.64 1x66 n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x66 s PRO 8 N -1.11 0.73 1.18 1.61 0.04 -1.26 -5.05 135.00 131.14 1x66 s PRO 8 Ca 0.00 0.64 -0.18 0.00 0.04 0.00 0.00 61.00 61.49 1x66 s PRO 8 Cb 0.00 -1.76 0.27 0.00 0.04 0.00 0.00 34.50 33.05 1x66 s PRO 8 CO 0.00 -2.55 1.11 -1.25 0.04 0.00 0.00 177.00 174.35 1x66 s PRO 9 N -4.95 -1.02 -0.04 0.56 0.04 -1.26 -5.04 135.00 123.29 1x66 s PRO 9 Ca 0.65 -0.00 -0.02 0.00 0.04 0.00 0.00 61.00 61.66 1x66 s PRO 9 Cb -0.18 -1.61 -0.01 0.00 0.04 0.00 0.00 34.50 32.74 1x66 s PRO 9 CO 0.57 -3.59 -0.04 -0.91 0.04 0.00 0.00 177.00 173.07 1x66 h ASN 10 N -2.50 0.00 -3.24 6.66 2.35 -1.97 -3.46 115.58 113.42 1x66 h ASN 10 Ca -0.46 0.00 -0.54 0.00 -0.55 0.00 0.00 56.30 54.75 1x66 h ASN 10 Cb 1.30 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.67 1x66 h ASN 10 CO 0.37 0.21 0.51 -0.32 -1.65 0.00 0.00 177.43 176.55 1x66 s MET 11 N -1.32 4.46 -0.32 0.81 1.75 -1.26 -4.96 119.30 118.46 1x66 s MET 11 Ca -0.03 1.68 -0.28 0.00 -1.25 0.00 0.00 55.69 55.81 1x66 s MET 11 Cb 0.00 -3.38 -0.02 0.00 2.84 0.00 0.00 34.83 34.28 1x66 s MET 11 CO 0.05 -0.21 1.75 0.95 -0.65 0.00 0.00 175.02 176.91 1x66 s THR 12 N 1.06 3.53 -0.30 10.11 -4.23 -1.26 -4.90 115.64 119.66 1x66 s THR 12 Ca 0.57 0.55 -0.05 0.00 -1.18 0.00 0.00 61.69 61.57 1x66 s THR 12 Cb -0.27 -3.69 0.19 0.00 1.34 0.00 0.00 72.50 70.07 1x66 s THR 12 CO 0.29 -0.42 0.89 0.42 -0.54 0.00 0.00 174.62 175.25 1x66 s THR 13 N 6.55 -0.52 0.33 3.99 -4.23 -1.26 -4.99 115.64 115.52 1x66 s THR 13 Ca 0.78 0.00 0.11 0.00 -1.18 0.00 0.00 61.69 61.40 1x66 s THR 13 Cb -0.22 -0.54 0.05 0.00 1.34 0.00 0.00 72.50 73.13 1x66 s THR 13 CO 0.33 0.00 1.75 -1.13 -0.54 0.00 0.00 174.62 175.04 1x66 h ASN 14 N 7.54 0.05 0.00 3.99 -1.24 -2.01 -3.40 115.58 120.50 1x66 h ASN 14 Ca -0.07 -0.02 -0.03 0.00 0.71 0.00 0.00 56.30 56.90 1x66 h ASN 14 Cb 1.18 -0.01 -0.02 0.00 0.73 0.00 0.00 38.32 40.19 1x66 h ASN 14 CO -0.01 0.48 -0.05 1.21 -1.29 0.00 0.00 177.43 177.77 1x66 n GLU 15 N -4.02 0.08 -1.81 6.67 4.07 -1.26 -5.16 120.64 119.21 1x66 n GLU 15 Ca -0.02 -0.19 -0.00 0.00 -0.06 0.00 0.00 57.16 56.89 1x66 n GLU 15 Cb 0.47 0.36 -0.00 0.00 -0.06 0.00 0.00 31.44 32.21 1x66 n GLU 15 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 1x66 n ARG 16 N -0.09 1.79 -2.53 5.31 1.74 -1.26 -5.17 116.66 116.45 1x66 n ARG 16 Ca -0.04 -0.02 -0.06 0.00 -0.77 0.00 0.00 57.85 56.96 1x66 n ARG 16 Cb 0.41 0.00 -0.01 0.00 -1.02 0.00 0.00 32.46 31.83 1x66 n ARG 16 CO 0.00 0.00 0.00 2.89 -1.52 0.00 0.00 177.63 179.00 1x66 n ARG 17 N -0.21 1.40 -3.68 5.56 0.00 -1.26 -4.98 116.66 113.50 1x66 n ARG 17 Ca -0.00 -0.74 -0.29 0.00 -0.00 0.00 0.00 57.85 56.82 1x66 n ARG 17 Cb 0.00 0.27 -0.04 0.00 -0.00 0.00 0.00 32.46 32.70 1x66 n ARG 17 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 1x66 s VAL 18 N -1.56 5.19 -0.56 8.89 1.01 -1.26 -5.06 120.40 127.04 1x66 s VAL 18 Ca 0.02 -0.17 0.04 0.00 0.00 0.00 0.00 61.98 61.86 1x66 s VAL 18 Cb 0.00 -3.68 0.14 0.00 0.00 0.00 0.00 36.38 32.84 1x66 s VAL 18 CO 0.01 -0.08 0.32 -0.63 0.00 0.00 0.00 175.10 174.72 1x66 s ILE 19 N -1.77 2.58 0.07 2.22 1.01 -1.26 -5.08 121.20 118.96 1x66 s ILE 19 Ca 0.40 -3.51 0.02 0.00 0.00 0.00 0.00 60.65 57.55 1x66 s ILE 19 Cb -0.12 -2.76 -0.03 0.00 0.01 0.00 0.00 42.46 39.56 1x66 s ILE 19 CO 0.27 -0.86 -0.07 0.68 0.00 0.00 0.00 174.94 174.96 1x66 s VAL 20 N -0.55 0.60 1.04 2.92 -7.23 -1.26 -5.07 120.40 110.85 1x66 s VAL 20 Ca 0.19 -1.50 -0.13 0.00 -1.81 0.00 0.00 61.98 58.73 1x66 s VAL 20 Cb -0.20 -1.13 0.21 0.00 0.56 0.00 0.00 36.38 35.81 1x66 s VAL 20 CO -0.04 -0.63 1.10 -2.16 -0.31 0.00 0.00 175.10 173.05 1x66 s PRO 21 N -2.70 0.12 0.00 4.82 0.04 -1.26 -5.02 135.00 131.00 1x66 s PRO 21 Ca 0.01 0.41 0.00 0.00 0.04 0.00 0.00 61.00 61.46 1x66 s PRO 21 Cb -0.02 -1.71 0.00 0.00 0.04 0.00 0.00 34.50 32.81 1x66 s PRO 21 CO -0.02 -2.92 0.66 0.00 0.04 0.00 0.00 177.00 174.75 1x66 n ALA 22 N -4.29 -0.15 -1.78 8.56 0.00 -1.26 -4.70 120.51 116.89 1x66 n ALA 22 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.09 1x66 n ALA 22 Cb 0.58 0.01 -0.01 0.00 0.00 0.00 0.00 19.45 20.02 1x66 n ALA 22 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1x66 s ASP 23 N -2.02 6.47 0.34 0.00 1.11 -1.25 -4.78 116.67 116.54 1x66 s ASP 23 Ca 0.00 2.94 0.13 0.00 0.18 0.00 0.00 52.55 55.80 1x66 s ASP 23 Cb 0.00 -2.66 0.59 0.00 1.07 0.00 0.00 42.92 41.92 1x66 s ASP 23 CO 0.00 -0.78 1.74 1.55 1.18 0.00 0.00 175.17 178.86 1x66 h PRO 24 N 3.21 0.00 0.00 8.23 0.13 -1.84 -2.87 132.00 138.86 1x66 h PRO 24 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1x66 h PRO 24 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1x66 h PRO 24 CO 0.65 0.47 0.03 1.79 -0.23 0.00 0.00 178.00 180.71 1x66 h THR 25 N 0.00 0.00 -0.21 1.56 1.35 -1.92 0.24 112.91 113.93 1x66 h THR 25 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1x66 h THR 25 Cb 0.84 0.93 0.00 0.00 -1.73 0.00 0.00 68.15 68.20 1x66 h THR 25 CO 0.06 0.00 0.00 0.18 -0.25 0.00 0.00 175.52 175.51 1x66 n LEU 26 N -3.01 1.53 -4.70 3.87 4.77 -1.08 -4.27 117.00 114.12 1x66 n LEU 26 Ca -0.03 -0.69 -0.41 0.00 -0.03 0.00 0.00 56.01 54.86 1x66 n LEU 26 Cb 0.10 -0.14 -0.04 0.00 -2.33 0.00 0.00 43.42 41.01 1x66 n LEU 26 CO 0.19 0.35 0.50 0.26 -1.33 0.00 0.00 177.39 177.35 1x66 s TRP 27 N -1.73 3.52 0.57 -1.77 0.51 0.83 -4.85 118.94 116.02 1x66 s TRP 27 Ca 0.28 1.28 -0.10 0.00 -2.12 0.00 0.00 56.10 55.44 1x66 s TRP 27 Cb 0.15 -2.91 0.13 0.00 -0.81 0.00 0.00 33.47 30.03 1x66 s TRP 27 CO 0.21 -0.04 0.74 0.25 -0.51 0.00 0.00 176.95 177.60 1x66 n THR 28 N 4.16 0.00 0.27 2.01 -2.24 -1.26 -0.08 114.28 117.14 1x66 n THR 28 Ca 0.01 -0.52 0.16 0.00 -2.27 0.00 0.00 64.05 61.43 1x66 n THR 28 Cb 0.50 -1.66 0.81 0.00 -2.10 0.00 0.00 70.33 67.88 1x66 n THR 28 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 1x66 h GLN 29 N 0.00 0.00 0.03 -0.78 4.15 -1.94 -2.61 115.11 113.96 1x66 h GLN 29 Ca -0.24 0.00 -0.38 0.00 0.77 0.00 0.00 58.65 58.80 1x66 h GLN 29 Cb 0.67 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 28.31 1x66 h GLN 29 CO 0.17 0.00 -2.15 -1.91 -1.93 0.00 0.00 178.83 173.01 1x66 n GLU 30 N -2.65 0.64 -0.07 1.69 4.07 -1.26 -4.29 120.64 118.77 1x66 n GLU 30 Ca -0.01 0.29 -0.07 0.00 -0.06 0.00 0.00 57.16 57.31 1x66 n GLU 30 Cb 0.11 -1.60 -0.01 0.00 -0.06 0.00 0.00 31.44 29.88 1x66 n GLU 30 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 1x66 h HIS 31 N -0.48 -0.52 -0.97 4.31 3.86 -1.82 0.13 115.15 119.65 1x66 h HIS 31 Ca -0.54 0.04 0.27 0.00 -1.16 0.00 0.00 60.37 58.98 1x66 h HIS 31 Cb 1.73 0.28 -0.05 0.00 1.06 0.00 0.00 27.41 30.43 1x66 h HIS 31 CO 0.02 -0.28 0.69 0.28 0.86 0.00 0.00 177.93 179.50 1x66 h VAL 32 N -0.18 0.53 0.13 2.45 2.07 -1.70 0.17 116.25 119.72 1x66 h VAL 32 Ca 0.15 -0.02 -0.19 0.00 0.82 0.00 0.00 66.70 67.46 1x66 h VAL 32 Cb 0.42 0.45 0.02 0.00 -1.52 0.00 0.00 31.29 30.66 1x66 h VAL 32 CO -0.40 0.01 -0.81 0.03 0.02 0.00 0.00 177.57 176.42 1x66 h ARG 33 N 0.07 0.33 0.21 1.57 3.08 -1.01 -3.07 114.38 115.57 1x66 h ARG 33 Ca 0.47 -0.52 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 1x66 h ARG 33 Cb 1.76 0.19 0.00 0.00 0.08 0.00 0.00 29.97 32.00 1x66 h ARG 33 CO -0.05 1.23 -0.10 1.96 -1.07 0.00 0.00 179.97 181.95 1x66 h GLN 34 N -0.31 -0.28 -0.84 0.04 4.20 0.59 -2.35 115.11 116.16 1x66 h GLN 34 Ca -0.14 0.02 0.13 0.00 0.06 0.00 0.00 58.65 58.72 1x66 h GLN 34 Cb 1.62 0.06 -0.06 0.00 0.30 0.00 0.00 27.48 29.40 1x66 h GLN 34 CO 0.15 -0.08 0.55 2.35 -0.67 0.00 0.00 178.83 181.13 1x66 h TRP 35 N -0.43 0.76 0.82 2.96 7.01 -0.91 -1.15 115.95 125.01 1x66 h TRP 35 Ca -0.03 0.02 -0.04 0.00 2.11 0.00 0.00 58.89 60.95 1x66 h TRP 35 Cb 0.33 -0.24 0.01 0.00 -2.10 0.00 0.00 29.16 27.15 1x66 h TRP 35 CO -0.02 0.30 -0.40 1.25 -2.79 0.00 0.00 178.44 176.78 1x66 h LEU 36 N 0.66 -0.94 -2.11 0.65 5.85 -1.39 -1.36 115.31 116.68 1x66 h LEU 36 Ca 0.41 0.03 0.08 0.00 0.84 0.00 0.00 57.88 59.25 1x66 h LEU 36 Cb 0.67 0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.93 1x66 h LEU 36 CO -0.17 -0.61 0.30 -0.33 -0.34 0.00 0.00 178.44 177.29 1x66 h GLU 37 N -1.23 0.00 0.44 1.25 5.08 -1.08 -2.00 114.58 117.04 1x66 h GLU 37 Ca -0.11 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.23 1x66 h GLU 37 Cb 0.85 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.10 1x66 h GLU 37 CO 0.19 0.00 -0.21 2.35 -1.00 0.00 0.00 179.01 180.33 1x66 h TRP 38 N 0.00 -0.55 -0.41 4.33 7.01 -0.91 -2.22 115.95 123.20 1x66 h TRP 38 Ca 0.14 -0.01 0.12 0.00 2.11 0.00 0.00 58.89 61.24 1x66 h TRP 38 Cb 0.74 0.18 -0.02 0.00 -2.10 0.00 0.00 29.16 27.97 1x66 h TRP 38 CO 0.00 -0.33 0.38 0.00 -2.79 0.00 0.00 178.44 175.71 1x66 h ALA 39 N -1.13 2.18 0.33 2.65 0.00 -0.77 0.29 119.26 122.80 1x66 h ALA 39 Ca -0.06 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1x66 h ALA 39 Cb 0.46 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1x66 h ALA 39 CO 0.10 -0.59 -0.16 0.82 0.00 0.00 0.00 179.25 179.42 1x66 h ILE 40 N 0.00 0.09 0.00 0.00 2.04 -1.37 0.24 117.51 118.51 1x66 h ILE 40 Ca 0.19 -0.71 0.00 0.00 1.00 0.00 0.00 64.86 65.34 1x66 h ILE 40 Cb 0.96 0.16 0.00 0.00 -0.74 0.00 0.00 36.82 37.20 1x66 h ILE 40 CO -0.00 0.02 0.00 2.29 0.00 0.00 0.00 178.15 180.46 1x66 n LYS 41 N -5.07 0.09 -0.11 2.37 -0.00 -0.84 -0.11 118.16 114.49 1x66 n LYS 41 Ca -0.06 0.37 -0.24 0.00 -0.00 0.00 0.00 58.31 58.39 1x66 n LYS 41 Cb 0.19 -1.69 -0.10 0.00 -0.00 0.00 0.00 35.03 33.43 1x66 n LYS 41 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 1x66 n GLU 42 N -1.87 0.57 -0.28 -1.58 4.07 0.96 -4.30 120.64 118.21 1x66 n GLU 42 Ca 0.02 0.46 0.06 0.00 -0.06 0.00 0.00 57.16 57.65 1x66 n GLU 42 Cb 0.17 -1.65 0.19 0.00 -0.06 0.00 0.00 31.44 30.09 1x66 n GLU 42 CO 0.00 0.00 0.00 0.66 -0.06 0.00 0.00 177.13 177.73 1x66 n TYR 43 N -4.38 0.70 -3.74 4.31 4.01 0.83 -4.92 117.16 113.96 1x66 n TYR 43 Ca -0.38 -0.31 -0.25 0.00 -0.16 0.00 0.00 57.90 56.80 1x66 n TYR 43 Cb 0.73 -0.07 0.02 0.00 -0.31 0.00 0.00 39.34 39.71 1x66 n TYR 43 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 1x66 n SER 44 N 0.64 -2.32 -4.86 7.72 7.64 0.84 -4.96 113.62 118.32 1x66 n SER 44 Ca 0.14 -0.92 -0.33 0.00 1.01 0.00 0.00 58.87 58.78 1x66 n SER 44 Cb 0.45 -3.66 -0.06 0.00 -1.01 0.00 0.00 64.21 59.93 1x66 n SER 44 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1x66 s LEU 45 N -6.63 4.17 0.16 -3.43 1.43 0.70 -5.02 118.68 110.06 1x66 s LEU 45 Ca 0.15 1.10 -0.04 0.00 -1.03 0.00 0.00 54.13 54.31 1x66 s LEU 45 Cb -0.05 -3.76 -0.03 0.00 0.03 0.00 0.00 46.19 42.38 1x66 s LEU 45 CO 0.84 -0.09 0.17 -0.04 0.23 0.00 0.00 176.35 177.46 1x66 s MET 46 N -2.70 1.08 -1.56 1.70 -1.94 -1.26 -4.76 119.30 109.85 1x66 s MET 46 Ca 0.48 -1.37 0.00 0.00 -1.71 0.00 0.00 55.69 53.10 1x66 s MET 46 Cb -0.12 0.30 0.00 0.00 2.01 0.00 0.00 34.83 37.03 1x66 s MET 46 CO 0.20 -0.35 0.00 0.39 -0.01 0.00 0.00 175.02 175.24 1x66 n GLU 47 N -0.17 -1.37 -3.89 2.03 1.02 -1.26 -4.68 120.64 112.32 1x66 n GLU 47 Ca -0.05 0.89 -0.36 0.00 -0.02 0.00 0.00 57.16 57.62 1x66 n GLU 47 Cb 0.64 -5.33 -0.07 0.00 -0.02 0.00 0.00 31.44 26.66 1x66 n GLU 47 CO 0.00 0.00 0.00 -1.50 1.18 0.00 0.00 177.13 176.81 1x66 s ILE 48 N -2.84 5.34 -0.81 -3.67 2.07 -1.26 -3.97 121.20 116.06 1x66 s ILE 48 Ca 0.00 0.15 -0.17 0.00 -1.41 0.00 0.00 60.65 59.23 1x66 s ILE 48 Cb 0.00 -3.36 0.16 0.00 0.13 0.00 0.00 42.46 39.40 1x66 s ILE 48 CO 0.00 0.56 0.88 -0.62 -1.91 0.00 0.00 174.94 173.84 1x66 s ASP 49 N -0.54 6.59 0.39 4.50 2.15 0.86 -4.87 116.67 125.75 1x66 s ASP 49 Ca 0.12 -2.20 0.13 0.00 0.43 0.00 0.00 52.55 51.03 1x66 s ASP 49 Cb -0.12 -2.29 0.80 0.00 -0.30 0.00 0.00 42.92 41.01 1x66 s ASP 49 CO 0.02 -0.86 1.87 0.71 -0.17 0.00 0.00 175.17 176.74 1x66 h THR 50 N 5.40 1.23 -0.63 1.71 1.35 -1.97 -2.66 112.91 117.34 1x66 h THR 50 Ca 0.04 -1.08 0.13 0.00 -0.55 0.00 0.00 66.41 64.94 1x66 h THR 50 Cb 1.05 1.58 -0.04 0.00 -1.73 0.00 0.00 68.15 69.01 1x66 h THR 50 CO 0.95 0.31 0.43 -1.28 -0.25 0.00 0.00 175.52 175.68 1x66 h SER 51 N 0.01 0.27 -0.06 5.36 0.87 -1.98 0.16 113.55 118.19 1x66 h SER 51 Ca -0.00 0.01 0.02 0.00 -1.23 0.00 0.00 61.79 60.59 1x66 h SER 51 Cb 0.56 -0.04 -0.00 0.00 -0.44 0.00 0.00 62.40 62.47 1x66 h SER 51 CO 0.04 0.15 0.09 0.15 -0.53 0.00 0.00 176.83 176.73 1x66 h PHE 52 N 0.30 0.00 -0.10 2.24 3.04 -1.87 -0.15 116.94 120.40 1x66 h PHE 52 Ca 0.30 0.00 -0.02 0.00 3.98 0.00 0.00 57.97 62.23 1x66 h PHE 52 Cb 0.77 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 39.27 1x66 h PHE 52 CO -0.00 0.00 -0.06 1.19 -2.02 0.00 0.00 178.31 177.42 1x66 n PHE 53 N -3.58 0.35 0.24 0.41 3.01 0.53 -4.63 117.46 113.81 1x66 n PHE 53 Ca -0.02 -1.07 0.07 0.00 1.01 0.00 0.00 57.45 57.44 1x66 n PHE 53 Cb 0.18 -0.23 0.58 0.00 -0.01 0.00 0.00 39.48 39.99 1x66 n PHE 53 CO 0.00 0.00 0.00 -0.56 1.01 0.00 0.00 176.76 177.21 1x66 h GLN 54 N 0.69 0.00 0.00 -1.08 3.07 -0.65 -3.13 115.11 114.01 1x66 h GLN 54 Ca 0.02 0.00 -0.16 0.00 0.09 0.00 0.00 58.65 58.60 1x66 h GLN 54 Cb 1.18 0.00 -0.34 0.00 0.08 0.00 0.00 27.48 28.40 1x66 h GLN 54 CO 0.09 0.08 -0.97 0.09 0.09 0.00 0.00 178.83 178.21 1x66 n ASN 55 N -4.45 1.04 -4.41 0.06 3.02 -1.26 -4.91 115.26 104.35 1x66 n ASN 55 Ca -0.03 -2.18 -0.44 0.00 -0.03 0.00 0.00 54.58 51.90 1x66 n ASN 55 Cb 0.15 -0.32 -0.05 0.00 -0.61 0.00 0.00 39.78 38.96 1x66 n ASN 55 CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 1x66 s MET 56 N -0.31 3.08 0.67 3.52 1.75 -1.18 -4.99 119.30 121.84 1x66 s MET 56 Ca 0.33 -1.10 -0.17 0.00 -1.25 0.00 0.00 55.69 53.50 1x66 s MET 56 Cb 0.38 -4.22 -0.00 0.00 2.84 0.00 0.00 34.83 33.82 1x66 s MET 56 CO -0.16 -1.54 1.25 -0.40 -0.65 0.00 0.00 175.02 173.53 1x66 n ASP 57 N 6.64 1.83 -0.41 1.11 5.68 -1.26 -4.62 116.55 125.52 1x66 n ASP 57 Ca -0.07 0.79 0.34 0.00 -0.50 0.00 0.00 54.79 55.35 1x66 n ASP 57 Cb 0.44 -1.54 0.64 0.00 -1.14 0.00 0.00 41.12 39.52 1x66 n ASP 57 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 1x66 h GLY 58 N 0.33 0.88 0.91 6.12 0.00 -0.61 0.41 103.07 111.12 1x66 h GLY 58 Ca -0.50 -0.11 -0.04 0.00 0.00 0.00 0.00 47.33 46.68 1x66 h GLY 58 CO 0.52 -0.20 0.06 0.50 0.00 0.00 0.00 176.54 177.43 1x66 h LYS 59 N 0.15 0.58 0.00 4.80 1.79 -1.76 -0.49 116.57 121.65 1x66 h LYS 59 Ca 0.71 -0.15 0.00 0.00 -2.18 0.00 0.00 60.65 59.03 1x66 h LYS 59 Cb 2.30 -0.07 0.00 0.00 -1.58 0.00 0.00 32.23 32.88 1x66 h LYS 59 CO -0.26 0.65 0.00 0.39 -1.08 0.00 0.00 179.45 179.15 1x66 n GLU 60 N -4.58 0.08 0.00 3.15 -0.58 0.12 -2.81 120.64 116.03 1x66 n GLU 60 Ca -0.01 0.13 -0.15 0.00 -0.42 0.00 0.00 57.16 56.71 1x66 n GLU 60 Cb 0.22 -1.60 -0.14 0.00 -0.57 0.00 0.00 31.44 29.35 1x66 n GLU 60 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 1x66 h LEU 61 N 0.00 0.22 -0.01 -4.62 5.85 -0.54 -3.20 115.31 113.00 1x66 h LEU 61 Ca 0.00 -0.45 0.00 0.00 0.84 0.00 0.00 57.88 58.27 1x66 h LEU 61 Cb 0.50 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.46 1x66 h LEU 61 CO 0.00 1.40 0.00 0.00 -0.34 0.00 0.00 178.44 179.50 1x66 h LYS 63 N 0.00 0.00 -6.67 0.00 2.10 -1.64 -3.48 116.57 106.89 1x66 h LYS 63 Ca 0.00 0.00 -0.57 0.00 -2.00 0.00 0.00 60.65 58.08 1x66 h LYS 63 Cb 0.78 0.00 0.18 0.00 -0.90 0.00 0.00 32.23 32.29 1x66 h LYS 63 CO 0.00 0.27 -0.24 -1.33 -2.00 0.00 0.00 179.45 176.15 1x66 n MET 64 N -2.89 0.52 -4.72 0.07 2.81 -1.20 -5.02 117.12 106.69 1x66 n MET 64 Ca -0.08 0.21 -0.32 0.00 -1.81 0.00 0.00 57.70 55.70 1x66 n MET 64 Cb 0.81 -1.89 -0.08 0.00 -0.71 0.00 0.00 33.22 31.35 1x66 n MET 64 CO 0.00 0.00 0.00 -0.80 1.51 0.00 0.00 175.97 176.68 1x66 s ASN 65 N -1.33 4.13 0.29 7.83 0.01 -1.26 -4.96 114.94 119.65 1x66 s ASN 65 Ca 0.70 -1.62 0.04 0.00 -0.71 0.00 0.00 52.86 51.27 1x66 s ASN 65 Cb -0.40 0.45 0.68 0.00 0.41 0.00 0.00 41.25 42.39 1x66 s ASN 65 CO 0.53 -0.83 1.78 0.50 -1.51 0.00 0.00 177.10 177.57 1x66 h LYS 66 N 1.36 0.74 0.65 -0.60 1.63 -1.95 0.16 116.57 118.57 1x66 h LYS 66 Ca -0.44 -0.04 -0.03 0.00 -0.85 0.00 0.00 60.65 59.29 1x66 h LYS 66 Cb 1.31 -0.17 0.01 0.00 -0.60 0.00 0.00 32.23 32.78 1x66 h LYS 66 CO 0.74 0.49 -0.31 0.93 -3.45 0.00 0.00 179.45 177.85 1x66 h GLU 67 N 0.76 -0.85 -0.64 1.90 4.39 -1.98 0.21 114.58 118.38 1x66 h GLU 67 Ca 0.55 0.06 0.16 0.00 0.34 0.00 0.00 59.36 60.47 1x66 h GLU 67 Cb 0.81 0.19 -0.03 0.00 -0.10 0.00 0.00 28.75 29.62 1x66 h GLU 67 CO -0.37 -0.53 0.45 -0.44 -1.16 0.00 0.00 179.01 176.95 1x66 h ASP 68 N -1.16 0.13 0.45 1.42 3.32 -1.84 0.14 116.42 118.88 1x66 h ASP 68 Ca -0.09 0.01 -0.28 0.00 0.02 0.00 0.00 57.03 56.69 1x66 h ASP 68 Cb 0.70 -0.02 0.01 0.00 0.22 0.00 0.00 39.33 40.25 1x66 h ASP 68 CO 0.15 0.07 -1.21 -0.26 -1.72 0.00 0.00 179.24 176.26 1x66 h PHE 69 N 0.14 0.66 0.00 4.55 0.04 -0.56 -3.20 116.94 118.56 1x66 h PHE 69 Ca 0.31 -0.44 0.00 0.00 2.80 0.00 0.00 57.97 60.63 1x66 h PHE 69 Cb 1.01 -0.04 0.00 0.00 2.20 0.00 0.00 35.95 39.12 1x66 h PHE 69 CO -0.00 1.32 0.00 -0.07 -0.60 0.00 0.00 178.31 178.96 1x66 h LEU 70 N 0.14 0.00 -0.26 1.54 3.38 0.14 0.24 115.31 120.49 1x66 h LEU 70 Ca -0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.82 1x66 h LEU 70 Cb 1.91 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.66 1x66 h LEU 70 CO 0.21 0.00 0.00 0.54 0.09 0.00 0.00 178.44 179.28 1x66 n ARG 71 N -2.90 1.17 0.00 1.13 1.74 -0.55 -4.04 116.66 113.22 1x66 n ARG 71 Ca 0.01 -0.26 0.00 0.00 -0.77 0.00 0.00 57.85 56.83 1x66 n ARG 71 Cb 0.27 -1.44 0.00 0.00 -1.02 0.00 0.00 32.46 30.27 1x66 n ARG 71 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1x66 n ALA 72 N -0.64 1.95 -2.44 7.54 0.00 -0.77 -5.03 120.51 121.13 1x66 n ALA 72 Ca 0.20 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.41 1x66 n ALA 72 Cb 0.16 0.19 -0.11 0.00 0.00 0.00 0.00 19.45 19.69 1x66 n ALA 72 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1x66 s THR 73 N -1.39 2.02 1.03 0.00 -1.32 0.78 -0.10 115.64 116.65 1x66 s THR 73 Ca 0.00 -2.05 -0.12 0.00 -1.21 0.00 0.00 61.69 58.31 1x66 s THR 73 Cb 0.00 -2.00 0.21 0.00 -1.51 0.00 0.00 72.50 69.20 1x66 s THR 73 CO 0.00 -0.32 1.08 0.28 -2.21 0.00 0.00 174.62 173.45 1x66 s THR 74 N -2.16 2.17 0.11 5.08 -1.32 -1.25 -4.04 115.64 114.23 1x66 s THR 74 Ca 0.20 0.06 -0.23 0.00 -1.21 0.00 0.00 61.69 60.51 1x66 s THR 74 Cb -0.05 -2.19 -0.09 0.00 -1.51 0.00 0.00 72.50 68.66 1x66 s THR 74 CO 0.09 -0.07 1.71 0.25 -2.21 0.00 0.00 174.62 174.38 1x66 h LEU 75 N -2.16 -0.20 -0.44 9.08 5.85 -1.94 0.15 115.31 125.65 1x66 h LEU 75 Ca -0.53 0.04 0.09 0.00 0.84 0.00 0.00 57.88 58.32 1x66 h LEU 75 Cb 1.30 0.09 -0.09 0.00 0.37 0.00 0.00 40.66 42.33 1x66 h LEU 75 CO 0.48 -0.10 -0.22 0.22 -0.34 0.00 0.00 178.44 178.49 1x66 h TYR 76 N -0.10 -0.55 -0.33 1.25 5.03 -2.00 0.12 116.97 120.38 1x66 h TYR 76 Ca 0.04 0.05 -0.09 0.00 2.58 0.00 0.00 58.73 61.31 1x66 h TYR 76 Cb 0.16 0.31 -0.02 0.00 1.55 0.00 0.00 36.73 38.73 1x66 h TYR 76 CO -0.15 -0.30 -0.15 -0.91 -1.32 0.00 0.00 178.16 175.33 1x66 h ASN 77 N -0.13 0.59 -0.47 -2.11 2.35 -1.85 -2.66 115.58 111.29 1x66 h ASN 77 Ca 0.21 -0.17 0.06 0.00 -0.55 0.00 0.00 56.30 55.85 1x66 h ASN 77 Cb 0.45 -0.16 -0.03 0.00 0.05 0.00 0.00 38.32 38.64 1x66 h ASN 77 CO -0.52 0.76 0.32 0.74 -1.65 0.00 0.00 177.43 177.08 1x66 h THR 78 N 0.54 0.97 -0.11 2.81 2.02 0.12 -0.86 112.91 118.40 1x66 h THR 78 Ca 0.09 -0.13 -0.23 0.00 0.77 0.00 0.00 66.41 66.90 1x66 h THR 78 Cb 0.58 0.54 0.01 0.00 -1.74 0.00 0.00 68.15 67.54 1x66 h THR 78 CO 0.04 0.07 -0.85 -0.33 0.37 0.00 0.00 175.52 174.82 1x66 h GLU 79 N 0.39 0.75 0.63 6.66 5.08 -0.93 -2.70 114.58 124.46 1x66 h GLU 79 Ca 0.20 -0.67 -0.03 0.00 -1.00 0.00 0.00 59.36 57.87 1x66 h GLU 79 Cb 0.31 0.15 0.01 0.00 0.50 0.00 0.00 28.75 29.73 1x66 h GLU 79 CO -0.05 1.26 -0.30 0.28 -1.00 0.00 0.00 179.01 179.20 1x66 h VAL 80 N 0.49 0.21 -0.05 3.13 2.07 -1.19 -1.06 116.25 119.85 1x66 h VAL 80 Ca -0.07 -0.31 0.04 0.00 0.82 0.00 0.00 66.70 67.17 1x66 h VAL 80 Cb 1.49 0.28 -0.06 0.00 -1.52 0.00 0.00 31.29 31.48 1x66 h VAL 80 CO 0.17 0.03 -0.37 -0.07 0.02 0.00 0.00 177.57 177.35 1x66 h LEU 81 N -1.10 -1.11 -0.46 2.57 3.38 -1.31 0.23 115.31 117.51 1x66 h LEU 81 Ca -0.09 0.15 0.09 0.00 0.09 0.00 0.00 57.88 58.11 1x66 h LEU 81 Cb 0.69 0.45 -0.07 0.00 0.09 0.00 0.00 40.66 41.82 1x66 h LEU 81 CO 0.14 -0.41 0.01 -0.07 0.09 0.00 0.00 178.44 178.20 1x66 h LEU 82 N -0.49 -0.18 -0.35 1.67 -0.00 -1.54 0.90 115.31 115.31 1x66 h LEU 82 Ca 0.07 0.11 0.01 0.00 -0.00 0.00 0.00 57.88 58.06 1x66 h LEU 82 Cb 0.60 0.18 -0.02 0.00 -0.00 0.00 0.00 40.66 41.42 1x66 h LEU 82 CO -0.32 -0.05 0.21 0.28 -0.00 0.00 0.00 178.44 178.56 1x66 h SER 83 N 0.12 0.36 0.83 -0.43 0.02 -0.51 0.51 113.55 114.45 1x66 h SER 83 Ca 0.23 -0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 61.14 1x66 h SER 83 Cb 0.33 -0.08 0.01 0.00 0.14 0.00 0.00 62.40 62.80 1x66 h SER 83 CO -0.37 0.26 -0.43 -0.74 -1.14 0.00 0.00 176.83 174.41 1x66 h HIS 84 N 0.44 -1.11 -0.20 3.45 -0.00 0.29 -2.39 115.15 115.63 1x66 h HIS 84 Ca 0.14 -0.02 0.06 0.00 -0.00 0.00 0.00 60.37 60.54 1x66 h HIS 84 Cb -0.01 0.38 -0.01 0.00 -0.00 0.00 0.00 27.41 27.76 1x66 h HIS 84 CO -0.07 -0.67 0.19 1.25 -0.00 0.00 0.00 177.93 178.62 1x66 h LEU 85 N -1.15 0.00 -0.63 0.26 5.85 -0.79 -1.74 115.31 117.12 1x66 h LEU 85 Ca -0.11 0.00 0.08 0.00 0.84 0.00 0.00 57.88 58.69 1x66 h LEU 85 Cb 0.89 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.86 1x66 h LEU 85 CO 0.17 0.00 0.29 0.77 -0.34 0.00 0.00 178.44 179.33 1x66 h SER 86 N 0.00 0.36 0.14 1.25 4.64 -0.35 0.25 113.55 119.85 1x66 h SER 86 Ca 0.09 0.06 -0.01 0.00 -0.47 0.00 0.00 61.79 61.47 1x66 h SER 86 Cb 0.46 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 1x66 h SER 86 CO -0.00 0.22 -0.07 0.22 -0.87 0.00 0.00 176.83 176.34 1x66 h TYR 87 N 0.52 -0.17 -0.90 4.77 3.20 -1.28 -2.80 116.97 120.30 1x66 h TYR 87 Ca 0.31 -0.00 0.22 0.00 3.14 0.00 0.00 58.73 62.39 1x66 h TYR 87 Cb 0.31 0.06 -0.06 0.00 1.54 0.00 0.00 36.73 38.58 1x66 h TYR 87 CO -0.13 0.27 0.61 -0.07 -1.64 0.00 0.00 178.16 177.21 1x66 h LEU 88 N -0.90 0.29 -0.44 2.82 4.07 -1.38 0.23 115.31 119.99 1x66 h LEU 88 Ca -0.02 0.03 -0.18 0.00 0.08 0.00 0.00 57.88 57.80 1x66 h LEU 88 Cb 0.52 -0.02 -0.00 0.00 1.08 0.00 0.00 40.66 42.24 1x66 h LEU 88 CO 0.03 0.11 -0.64 0.03 -1.08 0.00 0.00 178.44 176.89 1x66 h ARG 89 N 0.28 0.52 -1.06 1.13 3.08 -0.53 -3.09 114.38 114.70 1x66 h ARG 89 Ca 0.46 -0.37 -0.46 0.00 0.07 0.00 0.00 59.98 59.68 1x66 h ARG 89 Cb 1.35 0.06 -0.24 0.00 0.08 0.00 0.00 29.97 31.21 1x66 h ARG 89 CO -0.13 0.99 0.59 0.39 -1.07 0.00 0.00 179.97 180.73 1x66 n GLU 90 N -3.91 2.12 -4.01 0.04 -0.58 0.74 -4.92 120.64 110.12 1x66 n GLU 90 Ca -0.04 -2.49 -0.22 0.00 -0.42 0.00 0.00 57.16 53.99 1x66 n GLU 90 Cb 0.66 -1.98 -0.06 0.00 -0.57 0.00 0.00 31.44 29.49 1x66 n GLU 90 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1x66 n SER 91 N -0.71 1.70 -1.35 1.62 2.88 -0.85 -4.99 113.62 111.92 1x66 n SER 91 Ca 0.49 -2.77 0.17 0.00 -1.33 0.00 0.00 58.87 55.43 1x66 n SER 91 Cb 1.19 0.69 -0.06 0.00 -0.75 0.00 0.00 64.21 65.28 1x66 n SER 91 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1x66 n SER 92 N -1.52 -8.10 -0.07 -3.46 2.88 -1.26 -4.72 113.62 97.36 1x66 n SER 92 Ca -0.08 0.96 -0.09 0.00 -1.33 0.00 0.00 58.87 58.33 1x66 n SER 92 Cb 0.50 -4.36 -0.09 0.00 -0.75 0.00 0.00 64.21 59.52 1x66 n SER 92 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1x66 n SER 93 N -4.19 2.25 -1.06 -3.46 2.88 -1.26 -5.06 113.62 103.71 1x66 n SER 93 Ca -0.04 -0.05 0.14 0.00 -1.33 0.00 0.00 58.87 57.60 1x66 n SER 93 Cb 0.63 0.26 -0.05 0.00 -0.75 0.00 0.00 64.21 64.31 1x66 n SER 93 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x66 n GLY 94 N 2.45 -2.20 0.23 0.46 0.00 -1.26 -4.46 105.19 100.42 1x66 n GLY 94 Ca -0.26 -1.22 -0.08 0.00 0.00 0.00 0.00 46.02 44.46 1x66 n GLY 94 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x66 h PRO 95 N -1.01 0.59 0.00 1.61 0.13 -2.03 -3.45 132.00 127.84 1x66 h PRO 95 Ca -0.03 -0.31 -0.26 0.00 -0.87 0.00 0.00 66.00 64.52 1x66 h PRO 95 Cb 0.99 0.01 0.01 0.00 0.13 0.00 0.00 31.00 32.14 1x66 h PRO 95 CO 0.03 0.90 -0.05 0.45 -0.23 0.00 0.00 178.00 179.10 1x66 n SER 96 N -4.02 1.24 -3.15 1.44 2.88 -1.26 -5.13 113.62 105.62 1x66 n SER 96 Ca -0.02 -1.85 0.04 0.00 -1.33 0.00 0.00 58.87 55.71 1x66 n SER 96 Cb 0.53 -0.20 -0.00 0.00 -0.75 0.00 0.00 64.21 63.80 1x66 n SER 96 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1x66 s SER 97 N -2.89 -1.41 0.00 -3.46 1.04 -1.26 -4.98 113.70 100.74 1x66 s SER 97 Ca 0.30 0.11 0.00 0.00 0.48 0.00 0.00 55.95 56.84 1x66 s SER 97 Cb -0.02 1.89 0.00 0.00 0.10 0.00 0.00 66.02 67.98 1x66 s SER 97 CO 0.19 -0.25 0.00 0.61 0.98 0.00 0.00 173.24 174.77