#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x66 s SER 2 N 0.00 1.92 0.51 1.61 0.15 -1.26 -5.17 113.70 111.46 1x66 s SER 2 Ca 0.00 -1.00 0.02 0.00 0.70 0.00 0.00 55.95 55.68 1x66 s SER 2 Cb 0.00 -0.03 -0.01 0.00 -1.71 0.00 0.00 66.02 64.27 1x66 s SER 2 CO 0.00 -0.29 0.06 -0.94 1.20 0.00 0.00 173.24 173.27 1x66 s SER 3 N -3.13 4.19 0.46 5.45 1.04 -1.26 -5.05 113.70 115.40 1x66 s SER 3 Ca 0.17 -1.58 -0.20 0.00 0.48 0.00 0.00 55.95 54.82 1x66 s SER 3 Cb 0.01 0.45 -0.10 0.00 0.10 0.00 0.00 66.02 66.49 1x66 s SER 3 CO 0.02 -0.86 0.99 -0.83 0.98 0.00 0.00 173.24 173.53 1x66 s GLY 4 N -3.92 2.41 0.11 7.32 0.00 -1.26 -4.99 107.32 106.98 1x66 s GLY 4 Ca 0.11 0.47 0.00 0.00 0.00 0.00 0.00 44.72 45.30 1x66 s GLY 4 CO 0.06 0.76 0.00 1.44 0.00 0.00 0.00 173.10 175.36 1x66 n SER 5 N -0.85 0.95 -3.92 1.64 7.64 -1.26 -5.09 113.62 112.74 1x66 n SER 5 Ca 0.08 0.16 -0.17 0.00 1.01 0.00 0.00 58.87 59.95 1x66 n SER 5 Cb 0.53 -0.26 -0.15 0.00 -1.01 0.00 0.00 64.21 63.32 1x66 n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1x66 s SER 6 N -5.86 0.70 0.00 6.43 0.01 -1.26 -5.14 113.70 108.58 1x66 s SER 6 Ca 0.00 -0.10 0.00 0.00 1.31 0.00 0.00 55.95 57.16 1x66 s SER 6 Cb 0.00 -0.21 0.00 0.00 0.21 0.00 0.00 66.02 66.02 1x66 s SER 6 CO 0.00 0.01 0.00 0.61 0.41 0.00 0.00 173.24 174.27 1x66 n GLY 7 N 3.45 -1.17 3.69 3.44 0.00 -1.26 -5.17 105.19 108.18 1x66 n GLY 7 Ca -0.19 -0.98 -0.29 0.00 0.00 0.00 0.00 46.02 44.56 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 -1.58 0.73 -0.08 1.61 0.04 -1.26 -4.96 135.00 129.50 1x66 s PRO 8 Ca 0.00 0.63 -0.30 0.00 0.04 0.00 0.00 61.00 61.38 1x66 s PRO 8 Cb 0.00 -1.76 -0.04 0.00 0.04 0.00 0.00 34.50 32.73 1x66 s PRO 8 CO 0.00 -2.55 1.51 -1.25 0.04 0.00 0.00 177.00 174.74 1x66 s PRO 9 N -4.95 4.21 0.35 0.56 0.04 -1.26 -4.90 135.00 129.04 1x66 s PRO 9 Ca 0.65 2.01 0.08 0.00 0.04 0.00 0.00 61.00 63.78 1x66 s PRO 9 Cb -0.18 -3.86 0.64 0.00 0.04 0.00 0.00 34.50 31.14 1x66 s PRO 9 CO 0.57 -0.77 1.82 -2.95 0.04 0.00 0.00 177.00 175.72 1x66 h ASN 10 N 8.89 0.24 -3.32 6.66 -1.07 -1.93 -3.41 115.58 121.64 1x66 h ASN 10 Ca -0.35 -0.07 -0.57 0.00 0.07 0.00 0.00 56.30 55.37 1x66 h ASN 10 Cb 1.16 -0.06 -0.06 0.00 -2.07 0.00 0.00 38.32 37.28 1x66 h ASN 10 CO 0.95 0.49 0.35 -0.04 0.07 0.00 0.00 177.43 179.26 1x66 s MET 11 N -4.47 4.33 -0.03 4.14 -1.94 -1.26 -5.04 119.30 115.02 1x66 s MET 11 Ca -0.05 1.02 -0.21 0.00 -1.71 0.00 0.00 55.69 54.74 1x66 s MET 11 Cb 0.15 -3.55 -0.05 0.00 2.01 0.00 0.00 34.83 33.38 1x66 s MET 11 CO 0.75 -0.27 0.61 0.99 -0.01 0.00 0.00 175.02 177.09 1x66 s THR 12 N 1.93 4.97 0.09 2.05 2.01 -1.26 -4.94 115.64 120.48 1x66 s THR 12 Ca 0.39 1.26 -0.27 0.00 0.31 0.00 0.00 61.69 63.38 1x66 s THR 12 Cb -0.17 -3.94 0.08 0.00 0.01 0.00 0.00 72.50 68.48 1x66 s THR 12 CO 0.14 0.37 0.97 0.28 -0.69 0.00 0.00 174.62 175.69 1x66 s THR 13 N 0.11 0.00 0.02 -0.82 -1.32 -1.26 -5.08 115.64 107.29 1x66 s THR 13 Ca 0.32 -0.42 -0.27 0.00 -1.21 0.00 0.00 61.69 60.12 1x66 s THR 13 Cb -0.18 -1.67 -0.15 0.00 -1.51 0.00 0.00 72.50 68.99 1x66 s THR 13 CO 0.17 0.00 1.13 0.78 -2.21 0.00 0.00 174.62 174.49 1x66 h ASN 14 N 2.00 -0.81 -5.13 8.08 2.35 -2.03 -3.48 115.58 116.57 1x66 h ASN 14 Ca -0.24 0.03 -0.08 0.00 -0.55 0.00 0.00 56.30 55.46 1x66 h ASN 14 Cb 1.23 0.21 -0.14 0.00 0.05 0.00 0.00 38.32 39.67 1x66 h ASN 14 CO 0.27 -0.45 -0.31 -0.70 -1.65 0.00 0.00 177.43 174.59 1x66 s GLU 15 N -4.70 0.88 -0.21 0.81 -6.30 -1.26 -5.05 118.70 102.86 1x66 s GLU 15 Ca -0.14 -0.87 -0.09 0.00 -2.50 0.00 0.00 54.97 51.37 1x66 s GLU 15 Cb 0.01 0.36 0.04 0.00 0.00 0.00 0.00 34.13 34.54 1x66 s GLU 15 CO 0.42 -0.29 0.19 0.54 0.02 0.00 0.00 175.26 176.13 1x66 n ARG 16 N -0.02 -4.29 -4.34 4.30 5.12 -1.26 -5.04 116.66 111.13 1x66 n ARG 16 Ca -0.16 3.27 -0.25 0.00 -1.93 0.00 0.00 57.85 58.79 1x66 n ARG 16 Cb 0.62 -5.06 -0.09 0.00 -1.16 0.00 0.00 32.46 26.77 1x66 n ARG 16 CO 0.00 0.00 0.00 -0.98 -1.93 0.00 0.00 177.63 174.72 1x66 s ARG 17 N -0.89 2.02 -0.03 5.56 1.04 -1.26 -5.01 118.95 120.38 1x66 s ARG 17 Ca -0.22 -1.44 0.02 0.00 -1.04 0.00 0.00 55.73 53.05 1x66 s ARG 17 Cb 0.01 -2.06 -0.03 0.00 -2.04 0.00 0.00 34.95 30.84 1x66 s ARG 17 CO 0.78 0.39 -0.05 0.08 -0.04 0.00 0.00 175.30 176.46 1x66 s VAL 18 N -2.08 3.83 -0.74 4.99 1.01 -1.26 -5.08 120.40 121.06 1x66 s VAL 18 Ca 0.28 -0.60 -0.04 0.00 0.00 0.00 0.00 61.98 61.62 1x66 s VAL 18 Cb -0.07 -2.64 0.19 0.00 0.00 0.00 0.00 36.38 33.86 1x66 s VAL 18 CO 0.16 0.47 0.60 -0.63 0.00 0.00 0.00 175.10 175.70 1x66 s ILE 19 N -0.95 4.18 0.15 2.22 1.01 -1.26 -4.77 121.20 121.78 1x66 s ILE 19 Ca 0.16 -3.21 0.09 0.00 0.00 0.00 0.00 60.65 57.68 1x66 s ILE 19 Cb -0.11 -3.66 -0.04 0.00 0.01 0.00 0.00 42.46 38.66 1x66 s ILE 19 CO 0.06 -0.97 -0.19 0.68 0.00 0.00 0.00 174.94 174.52 1x66 s VAL 20 N -0.48 1.81 1.21 2.92 -7.23 -1.26 -5.07 120.40 112.30 1x66 s VAL 20 Ca 0.21 -1.81 -0.20 0.00 -1.81 0.00 0.00 61.98 58.37 1x66 s VAL 20 Cb -0.15 -1.77 0.29 0.00 0.56 0.00 0.00 36.38 35.31 1x66 s VAL 20 CO -0.07 -0.23 1.11 -2.16 -0.31 0.00 0.00 175.10 173.44 1x66 s PRO 21 N -2.53 -1.30 0.00 4.82 0.04 -1.26 -5.03 135.00 129.75 1x66 s PRO 21 Ca 0.13 -0.09 0.00 0.00 0.04 0.00 0.00 61.00 61.08 1x66 s PRO 21 Cb -0.07 -1.59 0.00 0.00 0.04 0.00 0.00 34.50 32.88 1x66 s PRO 21 CO 0.06 -3.76 0.49 0.00 0.04 0.00 0.00 177.00 173.83 1x66 n ALA 22 N -4.79 -0.14 -1.74 8.56 0.00 -1.26 -4.76 120.51 116.38 1x66 n ALA 22 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.16 1x66 n ALA 22 Cb 0.60 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.04 1x66 n ALA 22 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1x66 n ASP 23 N -1.10 3.59 0.02 0.00 8.00 -1.26 -4.83 116.55 120.98 1x66 n ASP 23 Ca 0.00 1.19 -0.06 0.00 0.71 0.00 0.00 54.79 56.62 1x66 n ASP 23 Cb 0.00 -1.58 0.12 0.00 -0.02 0.00 0.00 41.12 39.65 1x66 n ASP 23 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 1x66 h PRO 24 N 3.72 0.47 -0.01 -0.24 0.13 -1.86 -2.90 132.00 131.32 1x66 h PRO 24 Ca -0.48 -0.25 0.00 0.00 -0.87 0.00 0.00 66.00 64.40 1x66 h PRO 24 Cb 1.24 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.38 1x66 h PRO 24 CO 0.71 0.82 0.06 1.79 -0.23 0.00 0.00 178.00 181.15 1x66 h THR 25 N 0.39 0.07 -0.07 1.56 1.35 -1.91 0.25 112.91 114.55 1x66 h THR 25 Ca 0.03 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.89 1x66 h THR 25 Cb 0.92 0.94 0.00 0.00 -1.73 0.00 0.00 68.15 68.29 1x66 h THR 25 CO 0.08 0.00 0.00 0.18 -0.25 0.00 0.00 175.52 175.53 1x66 n LEU 26 N -3.15 0.76 -4.71 3.87 4.77 -1.09 -4.10 117.00 113.35 1x66 n LEU 26 Ca -0.03 -0.31 -0.41 0.00 -0.03 0.00 0.00 56.01 55.23 1x66 n LEU 26 Cb 0.13 -0.04 -0.04 0.00 -2.33 0.00 0.00 43.42 41.14 1x66 n LEU 26 CO 0.20 0.15 0.56 0.26 -1.33 0.00 0.00 177.39 177.23 1x66 s TRP 27 N -1.92 3.62 0.56 -1.77 0.51 0.89 -4.87 118.94 115.95 1x66 s TRP 27 Ca 0.32 1.50 -0.09 0.00 -2.12 0.00 0.00 56.10 55.70 1x66 s TRP 27 Cb 0.16 -2.98 0.13 0.00 -0.81 0.00 0.00 33.47 29.96 1x66 s TRP 27 CO 0.25 0.02 0.76 0.25 -0.51 0.00 0.00 176.95 177.73 1x66 n THR 28 N 3.88 0.00 0.28 2.01 -2.24 -1.26 -0.10 114.28 116.84 1x66 n THR 28 Ca 0.03 -0.59 0.15 0.00 -2.27 0.00 0.00 64.05 61.38 1x66 n THR 28 Cb 0.51 -1.68 0.75 0.00 -2.10 0.00 0.00 70.33 67.81 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 0.04 -0.78 4.15 -1.94 -2.47 115.11 114.12 1x66 h GLN 29 Ca -0.25 0.00 -0.38 0.00 0.77 0.00 0.00 58.65 58.79 1x66 h GLN 29 Cb 0.69 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 28.33 1x66 h GLN 29 CO 0.18 0.00 -2.25 -1.91 -1.93 0.00 0.00 178.83 172.92 1x66 n GLU 30 N -2.59 0.68 0.03 1.69 4.07 -1.26 -4.27 120.64 118.99 1x66 n GLU 30 Ca -0.01 0.22 -0.10 0.00 -0.06 0.00 0.00 57.16 57.21 1x66 n GLU 30 Cb 0.12 -1.60 -0.04 0.00 -0.06 0.00 0.00 31.44 29.86 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 -0.11 -0.28 -0.97 4.31 3.86 -1.81 -1.06 115.15 119.08 1x66 h HIS 31 Ca -0.52 0.01 0.27 0.00 -1.16 0.00 0.00 60.37 58.97 1x66 h HIS 31 Cb 1.89 0.13 -0.05 0.00 1.06 0.00 0.00 27.41 30.44 1x66 h HIS 31 CO 0.04 -0.17 0.68 0.28 0.86 0.00 0.00 177.93 179.63 1x66 h VAL 32 N -0.16 0.53 0.03 2.45 2.07 -1.67 0.16 116.25 119.65 1x66 h VAL 32 Ca 0.06 -0.03 -0.00 0.00 0.82 0.00 0.00 66.70 67.54 1x66 h VAL 32 Cb 0.24 0.44 0.00 0.00 -1.52 0.00 0.00 31.29 30.45 1x66 h VAL 32 CO -0.15 0.02 -0.01 0.03 0.02 0.00 0.00 177.57 177.48 1x66 h ARG 33 N 0.09 -0.04 -0.23 1.57 3.08 -1.42 -3.08 114.38 114.35 1x66 h ARG 33 Ca 0.48 0.00 0.03 0.00 0.07 0.00 0.00 59.98 60.56 1x66 h ARG 33 Cb 1.74 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 31.77 1x66 h ARG 33 CO -0.06 0.65 0.05 1.96 -1.07 0.00 0.00 179.97 181.51 1x66 h GLN 34 N -0.89 0.14 -0.70 0.04 4.20 -0.14 -1.60 115.11 116.16 1x66 h GLN 34 Ca -0.00 -0.01 0.13 0.00 0.06 0.00 0.00 58.65 58.83 1x66 h GLN 34 Cb 0.71 -0.03 -0.05 0.00 0.30 0.00 0.00 27.48 28.42 1x66 h GLN 34 CO 0.01 0.09 0.47 2.35 -0.67 0.00 0.00 178.83 181.08 1x66 h TRP 35 N 0.15 0.48 0.67 2.96 7.01 -0.88 -1.22 115.95 125.11 1x66 h TRP 35 Ca 0.10 0.01 -0.03 0.00 2.11 0.00 0.00 58.89 61.08 1x66 h TRP 35 Cb 0.10 -0.15 0.01 0.00 -2.10 0.00 0.00 29.16 27.01 1x66 h TRP 35 CO -0.15 0.20 -0.32 1.25 -2.79 0.00 0.00 178.44 176.63 1x66 h LEU 36 N 0.43 -0.76 -2.03 0.65 5.85 -1.21 -1.80 115.31 116.44 1x66 h LEU 36 Ca 0.34 0.03 0.13 0.00 0.84 0.00 0.00 57.88 59.21 1x66 h LEU 36 Cb 0.72 0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.93 1x66 h LEU 36 CO -0.10 -0.42 0.39 -0.33 -0.34 0.00 0.00 178.44 177.64 1x66 h GLU 37 N -1.14 0.00 0.40 1.25 5.08 -1.12 -1.90 114.58 117.15 1x66 h GLU 37 Ca -0.09 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.25 1x66 h GLU 37 Cb 0.69 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.94 1x66 h GLU 37 CO 0.15 0.00 -0.19 2.35 -1.00 0.00 0.00 179.01 180.32 1x66 h TRP 38 N 0.00 -0.49 -0.77 4.33 7.01 -1.08 -2.13 115.95 122.81 1x66 h TRP 38 Ca 0.21 -0.01 0.22 0.00 2.11 0.00 0.00 58.89 61.42 1x66 h TRP 38 Cb 0.99 0.16 -0.03 0.00 -2.10 0.00 0.00 29.16 28.18 1x66 h TRP 38 CO 0.00 -0.31 0.59 0.00 -2.79 0.00 0.00 178.44 175.93 1x66 h ALA 39 N -1.37 2.69 -0.01 2.65 0.00 -0.90 0.31 119.26 122.64 1x66 h ALA 39 Ca -0.05 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1x66 h ALA 39 Cb 0.41 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1x66 h ALA 39 CO 0.09 -0.98 -0.02 0.82 0.00 0.00 0.00 179.25 179.16 1x66 h ILE 40 N 0.00 1.46 0.00 0.00 2.04 -1.35 0.24 117.51 119.90 1x66 h ILE 40 Ca 0.37 -1.38 0.00 0.00 1.00 0.00 0.00 64.86 64.84 1x66 h ILE 40 Cb 1.53 2.37 0.00 0.00 -0.74 0.00 0.00 36.82 39.99 1x66 h ILE 40 CO -0.00 0.36 0.00 0.07 0.00 0.00 0.00 178.15 178.58 1x66 h LYS 41 N -0.54 0.00 0.00 2.37 2.10 -0.44 0.35 116.57 120.41 1x66 h LYS 41 Ca 0.00 0.00 -0.11 0.00 -2.00 0.00 0.00 60.65 58.54 1x66 h LYS 41 Cb 0.60 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.92 1x66 h LYS 41 CO 0.00 0.00 -0.82 1.49 -2.00 0.00 0.00 179.45 178.12 1x66 h GLU 42 N 0.00 0.00 -0.29 0.07 4.57 -0.41 -3.37 114.58 115.15 1x66 h GLU 42 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1x66 h GLU 42 Cb 0.59 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.18 1x66 h GLU 42 CO 0.00 0.53 0.00 0.66 -1.18 0.00 0.00 179.01 179.02 1x66 n TYR 43 N -4.54 0.39 -3.45 0.92 4.01 0.85 -4.95 117.16 110.39 1x66 n TYR 43 Ca -0.19 -0.19 -0.17 0.00 -0.16 0.00 0.00 57.90 57.19 1x66 n TYR 43 Cb 0.46 0.00 0.02 0.00 -0.31 0.00 0.00 39.34 39.51 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 0.42 -6.21 -4.92 7.72 7.64 0.85 -4.98 113.62 114.13 1x66 n SER 44 Ca 0.12 -0.63 -0.30 0.00 1.01 0.00 0.00 58.87 59.08 1x66 n SER 44 Cb 0.29 -3.72 -0.04 0.00 -1.01 0.00 0.00 64.21 59.73 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 -5.03 4.32 0.18 -3.43 1.43 0.88 -5.01 118.68 112.02 1x66 s LEU 45 Ca 0.16 0.34 -0.05 0.00 -1.03 0.00 0.00 54.13 53.54 1x66 s LEU 45 Cb -0.05 -3.05 -0.02 0.00 0.03 0.00 0.00 46.19 43.09 1x66 s LEU 45 CO 0.82 0.11 0.21 -0.04 0.23 0.00 0.00 176.35 177.68 1x66 s MET 46 N -2.73 1.17 -1.49 1.70 -1.94 -1.26 -4.82 119.30 109.93 1x66 s MET 46 Ca 0.37 -1.39 0.00 0.00 -1.71 0.00 0.00 55.69 52.96 1x66 s MET 46 Cb -0.12 0.33 0.00 0.00 2.01 0.00 0.00 34.83 37.04 1x66 s MET 46 CO 0.27 -0.41 0.00 0.39 -0.01 0.00 0.00 175.02 175.27 1x66 n GLU 47 N -0.23 -1.39 -4.09 2.03 1.02 -1.26 -4.70 120.64 112.03 1x66 n GLU 47 Ca -0.03 0.85 -0.35 0.00 -0.02 0.00 0.00 57.16 57.60 1x66 n GLU 47 Cb 0.64 -5.31 -0.08 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 -2.87 4.88 -0.87 -3.67 2.07 -1.26 -3.81 121.20 115.66 1x66 s ILE 48 Ca 0.00 -0.02 -0.15 0.00 -1.41 0.00 0.00 60.65 59.07 1x66 s ILE 48 Cb 0.00 -3.13 0.19 0.00 0.13 0.00 0.00 42.46 39.66 1x66 s ILE 48 CO 0.00 0.56 0.90 -0.62 -1.91 0.00 0.00 174.94 173.88 1x66 s ASP 49 N -0.54 6.75 0.54 4.50 -1.08 0.85 -4.86 116.67 122.83 1x66 s ASP 49 Ca 0.11 -2.52 0.28 0.00 -0.52 0.00 0.00 52.55 49.89 1x66 s ASP 49 Cb -0.12 -2.27 1.52 0.00 -1.46 0.00 0.00 42.92 40.59 1x66 s ASP 49 CO 0.02 -0.72 2.10 0.71 0.52 0.00 0.00 175.17 177.80 1x66 h THR 50 N 5.07 0.54 0.00 1.71 1.35 -1.97 -2.06 112.91 117.55 1x66 h THR 50 Ca 0.13 -0.45 -0.00 0.00 -0.55 0.00 0.00 66.41 65.54 1x66 h THR 50 Cb 1.03 1.29 -0.00 0.00 -1.73 0.00 0.00 68.15 68.74 1x66 h THR 50 CO 0.88 0.10 -0.00 0.77 -0.25 0.00 0.00 175.52 177.01 1x66 h SER 51 N 0.00 0.00 0.70 5.36 4.64 -1.96 0.02 113.55 122.30 1x66 h SER 51 Ca -0.00 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 1x66 h SER 51 Cb 0.28 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.37 1x66 h SER 51 CO 0.01 0.00 -0.18 0.15 -0.87 0.00 0.00 176.83 175.94 1x66 h PHE 52 N 0.00 0.00 -0.26 4.77 3.04 -1.75 -2.60 116.94 120.14 1x66 h PHE 52 Ca -0.00 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.95 1x66 h PHE 52 Cb 0.01 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.52 1x66 h PHE 52 CO 0.00 0.18 0.00 1.19 -2.02 0.00 0.00 178.31 177.66 1x66 n PHE 53 N -3.47 0.82 0.26 0.41 3.01 -0.04 -4.57 117.46 113.88 1x66 n PHE 53 Ca -0.01 -0.82 0.12 0.00 1.01 0.00 0.00 57.45 57.75 1x66 n PHE 53 Cb 0.35 -0.26 0.70 0.00 -0.01 0.00 0.00 39.48 40.26 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 1.73 0.00 -0.06 -1.08 3.07 -1.06 -3.14 115.11 114.56 1x66 h GLN 54 Ca 0.00 0.00 -0.19 0.00 0.09 0.00 0.00 58.65 58.55 1x66 h GLN 54 Cb 1.31 0.00 -0.38 0.00 0.08 0.00 0.00 27.48 28.49 1x66 h GLN 54 CO 0.18 0.12 -1.04 0.09 0.09 0.00 0.00 178.83 178.27 1x66 n ASN 55 N -3.77 1.11 -4.33 0.06 5.03 -1.26 -4.92 115.26 107.19 1x66 n ASN 55 Ca -0.02 -2.06 -0.46 0.00 0.87 0.00 0.00 54.58 52.92 1x66 n ASN 55 Cb 0.23 -0.33 -0.05 0.00 -1.02 0.00 0.00 39.78 38.61 1x66 n ASN 55 CO 0.00 0.00 0.00 -0.32 -1.83 0.00 0.00 177.26 175.11 1x66 s MET 56 N -0.63 3.01 0.67 3.52 1.75 -1.19 -5.02 119.30 121.41 1x66 s MET 56 Ca 0.33 -1.61 -0.17 0.00 -1.25 0.00 0.00 55.69 52.99 1x66 s MET 56 Cb 0.38 -4.29 -0.00 0.00 2.84 0.00 0.00 34.83 33.75 1x66 s MET 56 CO -0.15 -1.39 1.25 -0.40 -0.65 0.00 0.00 175.02 173.68 1x66 n ASP 57 N 5.55 1.83 -0.39 1.11 5.68 -1.26 -4.62 116.55 124.45 1x66 n ASP 57 Ca -0.13 0.80 0.33 0.00 -0.50 0.00 0.00 54.79 55.30 1x66 n ASP 57 Cb 0.41 -1.54 0.65 0.00 -1.14 0.00 0.00 41.12 39.50 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 0.35 0.73 0.94 6.12 0.00 -0.63 0.41 103.07 110.99 1x66 h GLY 58 Ca -0.50 -0.10 -0.06 0.00 0.00 0.00 0.00 47.33 46.67 1x66 h GLY 58 CO 0.52 -0.15 -0.01 0.50 0.00 0.00 0.00 176.54 177.40 1x66 h LYS 59 N 0.15 0.69 0.00 4.80 1.79 -1.76 -1.07 116.57 121.18 1x66 h LYS 59 Ca 0.68 -0.22 0.00 0.00 -2.18 0.00 0.00 60.65 58.92 1x66 h LYS 59 Cb 2.25 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 32.84 1x66 h LYS 59 CO -0.21 0.79 0.00 0.39 -1.08 0.00 0.00 179.45 179.34 1x66 n GLU 60 N -4.45 0.07 -0.00 3.15 -0.58 0.12 -2.90 120.64 116.06 1x66 n GLU 60 Ca -0.01 0.10 -0.13 0.00 -0.42 0.00 0.00 57.16 56.70 1x66 n GLU 60 Cb 0.29 -1.59 -0.14 0.00 -0.57 0.00 0.00 31.44 29.43 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 0.16 0.00 -4.62 5.85 -0.59 -3.18 115.31 112.94 1x66 h LEU 61 Ca 0.00 -0.33 0.00 0.00 0.84 0.00 0.00 57.88 58.39 1x66 h LEU 61 Cb 0.52 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.50 1x66 h LEU 61 CO 0.00 1.30 -0.10 0.00 -0.34 0.00 0.00 178.44 179.30 1x66 n LYS 63 N -2.17 0.63 -1.55 0.00 2.85 -1.14 -4.95 118.16 111.84 1x66 n LYS 63 Ca 0.05 0.21 -0.39 0.00 -1.05 0.00 0.00 58.31 57.14 1x66 n LYS 63 Cb 0.42 -1.77 0.04 0.00 -0.65 0.00 0.00 35.03 33.07 1x66 n LYS 63 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 177.40 176.02 1x66 n MET 64 N -2.90 0.79 -4.45 -1.58 2.81 -1.20 -5.01 117.12 105.58 1x66 n MET 64 Ca -0.14 0.30 -0.30 0.00 -1.81 0.00 0.00 57.70 55.75 1x66 n MET 64 Cb 0.92 -1.93 -0.05 0.00 -0.71 0.00 0.00 33.22 31.44 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 -1.13 4.30 0.34 7.83 0.01 -1.26 -4.95 114.94 120.08 1x66 s ASN 65 Ca 0.71 -1.49 0.10 0.00 -0.71 0.00 0.00 52.86 51.46 1x66 s ASN 65 Cb -0.46 0.44 0.85 0.00 0.41 0.00 0.00 41.25 42.49 1x66 s ASN 65 CO 0.52 -0.92 1.81 0.50 -1.51 0.00 0.00 177.10 177.50 1x66 h LYS 66 N 1.16 0.63 0.54 -0.60 1.63 -1.95 0.11 116.57 118.09 1x66 h LYS 66 Ca -0.42 -0.04 -0.03 0.00 -0.85 0.00 0.00 60.65 59.32 1x66 h LYS 66 Cb 1.31 -0.14 0.01 0.00 -0.60 0.00 0.00 32.23 32.80 1x66 h LYS 66 CO 0.69 0.42 -0.26 0.93 -3.45 0.00 0.00 179.45 177.78 1x66 h GLU 67 N 0.65 -0.70 -0.67 1.90 4.39 -1.98 0.15 114.58 118.32 1x66 h GLU 67 Ca 0.53 0.05 0.19 0.00 0.34 0.00 0.00 59.36 60.48 1x66 h GLU 67 Cb 0.97 0.16 -0.03 0.00 -0.10 0.00 0.00 28.75 29.75 1x66 h GLU 67 CO -0.30 -0.47 0.50 -0.44 -1.16 0.00 0.00 179.01 177.14 1x66 h ASP 68 N -0.96 0.00 0.46 1.42 3.32 -1.86 0.17 116.42 118.98 1x66 h ASP 68 Ca -0.07 0.00 -0.24 0.00 0.02 0.00 0.00 57.03 56.74 1x66 h ASP 68 Cb 0.56 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.11 1x66 h ASP 68 CO 0.12 0.00 -1.04 -0.26 -1.72 0.00 0.00 179.24 176.34 1x66 h PHE 69 N 0.00 0.54 0.00 4.55 0.04 -0.70 -3.15 116.94 118.22 1x66 h PHE 69 Ca 0.32 -0.33 0.00 0.00 2.80 0.00 0.00 57.97 60.76 1x66 h PHE 69 Cb 1.30 -0.05 0.00 0.00 2.20 0.00 0.00 35.95 39.41 1x66 h PHE 69 CO 0.00 1.18 0.00 -0.07 -0.60 0.00 0.00 178.31 178.82 1x66 h LEU 70 N 0.16 0.00 -0.44 1.54 3.38 0.14 0.25 115.31 120.34 1x66 h LEU 70 Ca -0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1x66 h LEU 70 Cb 1.71 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.46 1x66 h LEU 70 CO 0.18 0.00 0.00 0.54 0.09 0.00 0.00 178.44 179.25 1x66 n ARG 71 N -2.87 1.29 0.00 1.13 1.74 -0.83 -4.07 116.66 113.05 1x66 n ARG 71 Ca 0.01 -0.44 0.00 0.00 -0.77 0.00 0.00 57.85 56.65 1x66 n ARG 71 Cb 0.28 -1.37 0.00 0.00 -1.02 0.00 0.00 32.46 30.35 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 -0.38 1.93 -2.42 7.54 0.00 -0.79 -5.03 120.51 121.36 1x66 n ALA 72 Ca 0.17 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.42 1x66 n ALA 72 Cb 0.18 0.15 -0.11 0.00 0.00 0.00 0.00 19.45 19.68 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 -1.32 1.60 0.87 0.00 -1.32 0.80 -0.10 115.64 116.17 1x66 s THR 73 Ca 0.00 -1.95 -0.11 0.00 -1.21 0.00 0.00 61.69 58.43 1x66 s THR 73 Cb 0.00 -1.80 0.12 0.00 -1.51 0.00 0.00 72.50 69.31 1x66 s THR 73 CO 0.00 -0.46 1.14 0.28 -2.21 0.00 0.00 174.62 173.38 1x66 s THR 74 N -2.43 2.30 0.16 5.08 -1.32 -1.25 -3.98 115.64 114.20 1x66 s THR 74 Ca 0.16 0.10 -0.20 0.00 -1.21 0.00 0.00 61.69 60.54 1x66 s THR 74 Cb -0.03 -2.25 0.05 0.00 -1.51 0.00 0.00 72.50 68.76 1x66 s THR 74 CO 0.05 -0.12 1.65 0.25 -2.21 0.00 0.00 174.62 174.24 1x66 h LEU 75 N -1.60 -0.55 -0.29 9.08 5.85 -1.93 0.29 115.31 126.15 1x66 h LEU 75 Ca -0.44 0.12 0.07 0.00 0.84 0.00 0.00 57.88 58.48 1x66 h LEU 75 Cb 1.26 0.29 -0.08 0.00 0.37 0.00 0.00 40.66 42.51 1x66 h LEU 75 CO 0.44 -0.20 -0.33 0.22 -0.34 0.00 0.00 178.44 178.23 1x66 h TYR 76 N -0.13 -0.90 -0.20 1.25 5.03 -1.99 0.36 116.97 120.38 1x66 h TYR 76 Ca 0.16 0.05 -0.05 0.00 2.58 0.00 0.00 58.73 61.47 1x66 h TYR 76 Cb 0.37 0.44 -0.01 0.00 1.55 0.00 0.00 36.73 39.07 1x66 h TYR 76 CO -0.36 -0.39 -0.09 -0.91 -1.32 0.00 0.00 178.16 175.09 1x66 h ASN 77 N -0.31 0.30 0.20 -2.11 2.35 -1.77 -2.05 115.58 112.19 1x66 h ASN 77 Ca 0.14 -0.06 -0.03 0.00 -0.55 0.00 0.00 56.30 55.80 1x66 h ASN 77 Cb 0.54 -0.08 -0.00 0.00 0.05 0.00 0.00 38.32 38.83 1x66 h ASN 77 CO -0.47 0.43 -0.14 0.74 -1.65 0.00 0.00 177.43 176.34 1x66 h THR 78 N 0.30 0.90 0.09 2.81 2.02 0.16 -1.30 112.91 117.89 1x66 h THR 78 Ca 0.06 -0.50 -0.25 0.00 0.77 0.00 0.00 66.41 66.49 1x66 h THR 78 Cb 0.35 1.29 -0.00 0.00 -1.74 0.00 0.00 68.15 68.04 1x66 h THR 78 CO 0.02 0.13 -1.15 -0.33 0.37 0.00 0.00 175.52 174.56 1x66 h GLU 79 N 0.00 0.22 0.37 6.66 5.08 -0.47 -3.01 114.58 123.43 1x66 h GLU 79 Ca -0.00 -0.35 -0.02 0.00 -1.00 0.00 0.00 59.36 57.99 1x66 h GLU 79 Cb 0.28 0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.66 1x66 h GLU 79 CO 0.02 1.15 -0.18 0.28 -1.00 0.00 0.00 179.01 179.28 1x66 h VAL 80 N 0.07 0.17 0.07 3.13 2.07 -1.22 -2.12 116.25 118.42 1x66 h VAL 80 Ca -0.10 -0.69 0.02 0.00 0.82 0.00 0.00 66.70 66.76 1x66 h VAL 80 Cb 1.87 0.28 -0.05 0.00 -1.52 0.00 0.00 31.29 31.87 1x66 h VAL 80 CO 0.18 0.04 -0.47 -0.07 0.02 0.00 0.00 177.57 177.27 1x66 h LEU 81 N -1.09 -1.42 -0.70 2.57 3.38 -1.42 0.25 115.31 116.89 1x66 h LEU 81 Ca -0.05 0.16 0.12 0.00 0.09 0.00 0.00 57.88 58.20 1x66 h LEU 81 Cb 0.44 0.54 -0.09 0.00 0.09 0.00 0.00 40.66 41.65 1x66 h LEU 81 CO 0.08 -0.51 0.27 -0.07 0.09 0.00 0.00 178.44 178.30 1x66 h LEU 82 N -0.67 0.26 -0.32 1.67 3.38 -1.66 -0.50 115.31 117.46 1x66 h LEU 82 Ca 0.02 0.10 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 1x66 h LEU 82 Cb 0.71 0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.52 1x66 h LEU 82 CO -0.30 0.12 0.19 0.28 0.09 0.00 0.00 178.44 178.83 1x66 h SER 83 N 0.43 0.39 0.55 -0.43 0.02 -0.63 -0.12 113.55 113.77 1x66 h SER 83 Ca 0.37 -0.06 -0.02 0.00 -0.84 0.00 0.00 61.79 61.24 1x66 h SER 83 Cb 0.52 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.95 1x66 h SER 83 CO -0.36 0.33 -0.36 -0.74 -1.14 0.00 0.00 176.83 174.56 1x66 h HIS 84 N 0.42 -0.95 -0.03 3.45 -0.00 0.51 -2.01 115.15 116.54 1x66 h HIS 84 Ca 0.12 -0.01 0.01 0.00 -0.00 0.00 0.00 60.37 60.49 1x66 h HIS 84 Cb 0.01 0.34 -0.00 0.00 -0.00 0.00 0.00 27.41 27.77 1x66 h HIS 84 CO -0.04 -0.54 0.03 1.25 -0.00 0.00 0.00 177.93 178.64 1x66 h LEU 85 N -0.87 0.00 -0.99 0.26 5.85 -1.07 -1.94 115.31 116.54 1x66 h LEU 85 Ca -0.06 0.00 0.11 0.00 0.84 0.00 0.00 57.88 58.77 1x66 h LEU 85 Cb 0.72 0.00 -0.08 0.00 0.37 0.00 0.00 40.66 41.66 1x66 h LEU 85 CO 0.06 0.00 0.62 0.77 -0.34 0.00 0.00 178.44 179.55 1x66 h SER 86 N 0.00 0.92 0.00 1.25 4.64 -0.23 0.28 113.55 120.41 1x66 h SER 86 Ca 0.01 0.05 -0.00 0.00 -0.47 0.00 0.00 61.79 61.38 1x66 h SER 86 Cb 0.08 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.03 1x66 h SER 86 CO -0.00 0.50 -0.00 0.22 -0.87 0.00 0.00 176.83 176.68 1x66 h TYR 87 N 0.99 -0.00 -0.52 4.77 3.20 -1.35 -3.21 116.97 120.85 1x66 h TYR 87 Ca 0.49 -0.00 0.15 0.00 3.14 0.00 0.00 58.73 62.51 1x66 h TYR 87 Cb 0.46 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.71 1x66 h TYR 87 CO -0.01 0.56 0.44 -0.07 -1.64 0.00 0.00 178.16 177.44 1x66 h LEU 88 N -1.00 0.00 -0.54 2.82 4.07 -1.38 0.24 115.31 119.52 1x66 h LEU 88 Ca -0.00 0.00 -0.16 0.00 0.08 0.00 0.00 57.88 57.80 1x66 h LEU 88 Cb 0.56 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.29 1x66 h LEU 88 CO 0.00 0.00 -0.63 0.03 -1.08 0.00 0.00 178.44 176.76 1x66 h ARG 89 N 0.00 0.37 -0.89 1.13 3.08 -0.53 -3.11 114.38 114.43 1x66 h ARG 89 Ca 0.25 -0.26 -0.50 0.00 0.07 0.00 0.00 59.98 59.53 1x66 h ARG 89 Cb 1.13 0.04 -0.28 0.00 0.08 0.00 0.00 29.97 30.95 1x66 h ARG 89 CO -0.00 0.88 0.53 0.39 -1.07 0.00 0.00 179.97 180.70 1x66 n GLU 90 N -3.88 2.32 -4.64 0.04 -0.58 0.80 -4.95 120.64 109.74 1x66 n GLU 90 Ca -0.03 -3.14 -0.30 0.00 -0.42 0.00 0.00 57.16 53.27 1x66 n GLU 90 Cb 0.64 -2.15 -0.08 0.00 -0.57 0.00 0.00 31.44 29.29 1x66 n GLU 90 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1x66 s SER 91 N -1.69 3.50 -0.98 1.62 0.15 -0.91 -4.89 113.70 110.49 1x66 s SER 91 Ca 0.56 -1.68 -0.05 0.00 0.70 0.00 0.00 55.95 55.48 1x66 s SER 91 Cb 0.47 0.55 -0.06 0.00 -1.71 0.00 0.00 66.02 65.27 1x66 s SER 91 CO 0.06 -0.91 0.86 -0.24 1.20 0.00 0.00 173.24 174.21 1x66 n SER 92 N -1.32 -6.18 -1.92 5.45 2.88 -1.26 -4.70 113.62 106.57 1x66 n SER 92 Ca -0.13 -0.66 -0.00 0.00 -1.33 0.00 0.00 58.87 56.75 1x66 n SER 92 Cb 0.66 -4.88 0.02 0.00 -0.75 0.00 0.00 64.21 59.26 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 -3.10 0.40 -3.65 -3.46 2.88 -1.26 -4.97 113.62 100.46 1x66 n SER 93 Ca -0.07 -2.04 -0.06 0.00 -1.33 0.00 0.00 58.87 55.37 1x66 n SER 93 Cb 0.61 -0.09 -0.01 0.00 -0.75 0.00 0.00 64.21 63.98 1x66 n SER 93 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1x66 s GLY 94 N -2.16 -0.05 0.75 0.46 0.00 -1.26 -5.17 107.32 99.90 1x66 s GLY 94 Ca 0.22 -0.25 -0.11 0.00 0.00 0.00 0.00 44.72 44.58 1x66 s GLY 94 CO -0.10 0.08 1.09 2.56 0.00 0.00 0.00 173.10 176.74 1x66 s PRO 95 N -3.36 2.36 0.15 2.90 0.04 -1.26 -5.00 135.00 130.82 1x66 s PRO 95 Ca 0.13 1.21 0.00 0.00 0.04 0.00 0.00 61.00 62.38 1x66 s PRO 95 Cb -0.04 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.59 1x66 s PRO 95 CO 0.06 -1.57 0.00 0.43 0.04 0.00 0.00 177.00 175.96 1x66 n SER 96 N -3.31 0.06 -4.08 6.66 7.64 -1.26 -5.12 113.62 114.21 1x66 n SER 96 Ca 0.09 0.25 -0.30 0.00 1.01 0.00 0.00 58.87 59.92 1x66 n SER 96 Cb 0.53 0.15 0.22 0.00 -1.01 0.00 0.00 64.21 64.10 1x66 n SER 96 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1x66 s SER 97 N -4.80 1.40 0.00 6.43 0.01 -1.26 -5.30 113.70 110.18 1x66 s SER 97 Ca 0.00 0.79 0.00 0.00 1.31 0.00 0.00 55.95 58.05 1x66 s SER 97 Cb 0.00 -1.16 0.00 0.00 0.21 0.00 0.00 66.02 65.07 1x66 s SER 97 CO 0.00 -3.84 0.00 0.61 0.41 0.00 0.00 173.24 170.42