#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 3.80 -0.03 1.61 0.01 -1.26 -5.15 113.70 112.67 1x66 s SER 2 Ca 0.00 -1.17 -0.05 0.00 1.31 0.00 0.00 55.95 56.04 1x66 s SER 2 Cb 0.00 -0.38 0.01 0.00 0.21 0.00 0.00 66.02 65.86 1x66 s SER 2 CO 0.00 -0.21 0.12 -0.94 0.41 0.00 0.00 173.24 172.62 1x66 s SER 3 N -3.63 -0.08 -0.61 2.44 1.04 -1.26 -5.12 113.70 106.49 1x66 s SER 3 Ca 0.33 0.12 -0.11 0.00 0.48 0.00 0.00 55.95 56.77 1x66 s SER 3 Cb 0.02 0.24 0.16 0.00 0.10 0.00 0.00 66.02 66.54 1x66 s SER 3 CO 0.17 -0.13 0.51 -0.83 0.98 0.00 0.00 173.24 173.94 1x66 s GLY 4 N -0.32 2.30 0.46 7.32 0.00 -1.26 -5.00 107.32 110.82 1x66 s GLY 4 Ca -0.04 -2.88 0.00 0.00 0.00 0.00 0.00 44.72 41.80 1x66 s GLY 4 CO 0.00 1.17 0.00 -1.26 0.00 0.00 0.00 173.10 173.01 1x66 n SER 5 N 4.47 -7.87 -4.61 1.64 2.88 -1.26 -4.87 113.62 104.01 1x66 n SER 5 Ca -0.00 1.00 -0.29 0.00 -1.33 0.00 0.00 58.87 58.25 1x66 n SER 5 Cb 0.42 -4.32 0.20 0.00 -0.75 0.00 0.00 64.21 59.76 1x66 n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1x66 s SER 6 N -7.05 2.12 0.20 -3.46 0.01 -1.26 -4.87 113.70 99.39 1x66 s SER 6 Ca 0.00 1.39 0.00 0.00 1.31 0.00 0.00 55.95 58.65 1x66 s SER 6 Cb 0.00 -2.09 0.00 0.00 0.21 0.00 0.00 66.02 64.14 1x66 s SER 6 CO 0.00 -3.48 0.00 0.61 0.41 0.00 0.00 173.24 170.78 1x66 n GLY 7 N -0.34 -1.95 3.69 3.44 0.00 -1.26 -4.92 105.19 103.85 1x66 n GLY 7 Ca 0.05 -1.33 -0.29 0.00 0.00 0.00 0.00 46.02 44.45 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 -2.13 0.74 1.05 1.61 0.04 -1.26 -4.94 135.00 130.11 1x66 s PRO 8 Ca 0.00 0.64 -0.14 0.00 0.04 0.00 0.00 61.00 61.54 1x66 s PRO 8 Cb 0.00 -1.76 0.21 0.00 0.04 0.00 0.00 34.50 32.99 1x66 s PRO 8 CO 0.00 -2.55 1.10 -1.25 0.04 0.00 0.00 177.00 174.34 1x66 s PRO 9 N -4.95 0.02 -0.20 0.56 0.04 -1.26 -5.01 135.00 124.20 1x66 s PRO 9 Ca 0.65 0.38 0.11 0.00 0.04 0.00 0.00 61.00 62.17 1x66 s PRO 9 Cb -0.18 -1.70 -0.19 0.00 0.04 0.00 0.00 34.50 32.46 1x66 s PRO 9 CO 0.57 -2.97 -0.04 0.09 0.04 0.00 0.00 177.00 174.69 1x66 n ASN 10 N -4.32 1.20 -4.70 6.66 3.02 -1.26 -4.98 115.26 110.88 1x66 n ASN 10 Ca 0.06 -0.05 -0.42 0.00 -0.03 0.00 0.00 54.58 54.14 1x66 n ASN 10 Cb 0.58 0.46 -0.01 0.00 -0.61 0.00 0.00 39.78 40.20 1x66 n ASN 10 CO 0.00 0.00 0.00 0.80 -2.62 0.00 0.00 177.26 175.44 1x66 n MET 11 N -2.85 2.14 -3.83 3.52 1.56 -1.26 -4.97 117.12 111.43 1x66 n MET 11 Ca -0.33 0.75 -0.36 0.00 -0.27 0.00 0.00 57.70 57.48 1x66 n MET 11 Cb 1.03 -2.33 -0.13 0.00 2.15 0.00 0.00 33.22 33.93 1x66 n MET 11 CO 0.00 0.00 0.00 0.95 -0.73 0.00 0.00 175.97 176.19 1x66 s THR 12 N -1.10 3.40 -0.01 1.12 -4.23 -1.26 -5.05 115.64 108.51 1x66 s THR 12 Ca 0.55 -1.23 -0.29 0.00 -1.18 0.00 0.00 61.69 59.55 1x66 s THR 12 Cb -0.57 -2.92 0.11 0.00 1.34 0.00 0.00 72.50 70.46 1x66 s THR 12 CO 0.62 -0.12 1.28 0.28 -0.54 0.00 0.00 174.62 176.13 1x66 s THR 13 N 1.34 0.00 0.56 3.99 -1.32 -1.26 -4.95 115.64 113.99 1x66 s THR 13 Ca -0.03 -0.22 -0.19 0.00 -1.21 0.00 0.00 61.69 60.04 1x66 s THR 13 Cb -0.19 -2.41 -0.07 0.00 -1.51 0.00 0.00 72.50 68.31 1x66 s THR 13 CO 0.01 0.00 0.77 0.59 -2.21 0.00 0.00 174.62 173.78 1x66 n ASN 14 N -0.75 0.03 -4.21 8.08 4.13 -1.26 -4.79 115.26 116.49 1x66 n ASN 14 Ca -0.04 0.81 -0.38 0.00 1.68 0.00 0.00 54.58 56.66 1x66 n ASN 14 Cb 0.61 -1.28 -0.04 0.00 -1.54 0.00 0.00 39.78 37.53 1x66 n ASN 14 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1x66 n GLU 15 N -0.40 2.15 0.00 3.52 4.71 -1.26 -3.15 120.64 126.20 1x66 n GLU 15 Ca 0.12 -2.53 0.00 0.00 -0.01 0.00 0.00 57.16 54.74 1x66 n GLU 15 Cb 0.46 -3.40 0.00 0.00 -1.01 0.00 0.00 31.44 27.49 1x66 n GLU 15 CO 0.00 0.00 0.00 -2.13 0.09 0.00 0.00 177.13 175.09 1x66 n ARG 16 N 7.66 0.00 -3.61 3.49 0.63 -1.26 -5.16 116.66 118.41 1x66 n ARG 16 Ca 0.48 0.00 -0.00 0.00 -0.92 0.00 0.00 57.85 57.41 1x66 n ARG 16 Cb 0.44 0.00 -0.01 0.00 0.45 0.00 0.00 32.46 33.34 1x66 n ARG 16 CO 0.00 0.00 0.00 -0.98 -2.51 0.00 0.00 177.63 174.14 1x66 s ARG 17 N -1.67 0.24 0.66 -0.14 1.04 -1.19 -5.16 118.95 112.73 1x66 s ARG 17 Ca 0.00 -0.12 -0.17 0.00 -1.04 0.00 0.00 55.73 54.40 1x66 s ARG 17 Cb 0.00 0.09 -0.00 0.00 -2.04 0.00 0.00 34.95 33.00 1x66 s ARG 17 CO 0.00 -0.11 1.23 0.08 -0.04 0.00 0.00 175.30 176.47 1x66 s VAL 18 N -2.28 2.33 -0.53 4.99 1.01 -1.26 -4.14 120.40 120.51 1x66 s VAL 18 Ca 0.13 0.19 0.04 0.00 0.00 0.00 0.00 61.98 62.33 1x66 s VAL 18 Cb 0.03 -2.95 0.14 0.00 0.00 0.00 0.00 36.38 33.60 1x66 s VAL 18 CO -0.04 -0.06 0.31 -0.63 0.00 0.00 0.00 175.10 174.68 1x66 s ILE 19 N -1.68 2.25 0.09 2.22 1.01 -1.26 -5.00 121.20 118.82 1x66 s ILE 19 Ca 0.78 -3.31 0.03 0.00 0.00 0.00 0.00 60.65 58.15 1x66 s ILE 19 Cb -0.32 -2.54 -0.03 0.00 0.01 0.00 0.00 42.46 39.58 1x66 s ILE 19 CO 0.40 -0.89 -0.09 0.68 0.00 0.00 0.00 174.94 175.03 1x66 s VAL 20 N -0.37 0.84 0.54 2.92 -7.23 -1.26 -5.10 120.40 110.74 1x66 s VAL 20 Ca 0.20 -1.56 -0.20 0.00 -1.81 0.00 0.00 61.98 58.61 1x66 s VAL 20 Cb -0.19 -1.25 -0.06 0.00 0.56 0.00 0.00 36.38 35.43 1x66 s VAL 20 CO -0.04 -0.55 1.13 -2.16 -0.31 0.00 0.00 175.10 173.16 1x66 s PRO 21 N -2.66 3.39 0.06 4.82 0.04 -1.26 -4.98 135.00 134.41 1x66 s PRO 21 Ca 0.03 1.62 -0.20 0.00 0.04 0.00 0.00 61.00 62.49 1x66 s PRO 21 Cb -0.03 -2.03 -0.09 0.00 0.04 0.00 0.00 34.50 32.39 1x66 s PRO 21 CO -0.00 -0.82 1.32 0.00 0.04 0.00 0.00 177.00 177.54 1x66 h ALA 22 N 1.26 -0.84 -1.85 8.56 0.00 -1.93 -3.39 119.26 121.08 1x66 h ALA 22 Ca -0.50 -0.07 -0.60 0.00 0.00 0.00 0.00 54.91 53.74 1x66 h ALA 22 Cb 1.26 0.69 -0.00 0.00 0.00 0.00 0.00 17.79 19.74 1x66 h ALA 22 CO 0.57 -0.91 1.43 -0.25 0.00 0.00 0.00 179.25 180.09 1x66 n ASP 23 N -4.21 3.14 0.27 0.00 8.00 -1.26 -4.73 116.55 117.76 1x66 n ASP 23 Ca -0.05 0.36 0.17 0.00 0.71 0.00 0.00 54.79 55.98 1x66 n ASP 23 Cb 0.25 -1.48 0.69 0.00 -0.02 0.00 0.00 41.12 40.56 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 13.75 0.00 0.00 -0.24 0.13 -1.76 -2.68 132.00 141.19 1x66 h PRO 24 Ca -0.40 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 1x66 h PRO 24 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1x66 h PRO 24 CO 0.97 0.00 0.00 1.79 -0.23 0.00 0.00 178.00 180.53 1x66 h THR 25 N 0.00 0.00 -0.00 1.56 1.35 -1.88 -2.37 112.91 111.56 1x66 h THR 25 Ca 0.00 -0.48 0.00 0.00 -0.55 0.00 0.00 66.41 65.38 1x66 h THR 25 Cb 0.48 1.42 0.00 0.00 -1.73 0.00 0.00 68.15 68.31 1x66 h THR 25 CO 0.00 0.00 -0.47 0.18 -0.25 0.00 0.00 175.52 174.98 1x66 n LEU 26 N -2.87 0.86 -4.71 3.87 4.77 -1.01 -3.58 117.00 114.34 1x66 n LEU 26 Ca 0.01 -0.21 -0.43 0.00 -0.03 0.00 0.00 56.01 55.35 1x66 n LEU 26 Cb 0.31 -0.16 -0.03 0.00 -2.33 0.00 0.00 43.42 41.22 1x66 n LEU 26 CO 0.26 0.18 1.23 0.79 -1.33 0.00 0.00 177.39 178.52 1x66 n TRP 27 N -1.08 2.61 -1.92 -1.77 8.01 -0.89 -4.88 117.44 117.51 1x66 n TRP 27 Ca 0.08 0.23 -0.28 0.00 -1.31 0.00 0.00 57.50 56.22 1x66 n TRP 27 Cb 0.35 -2.59 0.19 0.00 -2.01 0.00 0.00 31.31 27.26 1x66 n TRP 27 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.69 176.93 1x66 n THR 28 N 2.83 0.00 0.27 -0.99 -2.24 -1.26 -0.07 114.28 112.82 1x66 n THR 28 Ca 0.13 -0.97 0.17 0.00 -2.27 0.00 0.00 64.05 61.10 1x66 n THR 28 Cb 0.34 -1.50 0.85 0.00 -2.10 0.00 0.00 70.33 67.92 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 -2.54 115.11 114.05 1x66 h GLN 29 Ca -0.41 0.00 -0.38 0.00 0.77 0.00 0.00 58.65 58.63 1x66 h GLN 29 Cb 1.14 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 28.79 1x66 h GLN 29 CO 0.29 0.00 -2.20 -1.91 -1.93 0.00 0.00 178.83 173.09 1x66 n GLU 30 N -2.69 0.67 -0.02 1.69 4.07 -1.26 -4.23 120.64 118.87 1x66 n GLU 30 Ca -0.01 0.25 -0.09 0.00 -0.06 0.00 0.00 57.16 57.25 1x66 n GLU 30 Cb 0.10 -1.61 -0.02 0.00 -0.06 0.00 0.00 31.44 29.85 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 -0.21 -0.46 -0.95 4.31 3.86 -1.80 -0.28 115.15 119.61 1x66 h HIS 31 Ca -0.52 0.03 0.23 0.00 -1.16 0.00 0.00 60.37 58.95 1x66 h HIS 31 Cb 1.85 0.23 -0.07 0.00 1.06 0.00 0.00 27.41 30.48 1x66 h HIS 31 CO 0.04 -0.25 0.63 0.28 0.86 0.00 0.00 177.93 179.49 1x66 h VAL 32 N -0.20 0.61 0.09 2.45 2.07 -1.69 0.27 116.25 119.86 1x66 h VAL 32 Ca 0.11 -0.12 -0.00 0.00 0.82 0.00 0.00 66.70 67.50 1x66 h VAL 32 Cb 0.37 0.22 0.00 0.00 -1.52 0.00 0.00 31.29 30.36 1x66 h VAL 32 CO -0.29 0.07 -0.04 0.03 0.02 0.00 0.00 177.57 177.35 1x66 h ARG 33 N 0.36 -0.12 -0.29 1.57 3.08 -1.30 -2.84 114.38 114.85 1x66 h ARG 33 Ca 0.51 0.01 0.06 0.00 0.07 0.00 0.00 59.98 60.63 1x66 h ARG 33 Cb 1.35 0.03 -0.06 0.00 0.08 0.00 0.00 29.97 31.36 1x66 h ARG 33 CO -0.19 0.41 -0.10 1.96 -1.07 0.00 0.00 179.97 180.97 1x66 h GLN 34 N -0.81 -0.05 -0.76 0.04 4.20 -0.20 -0.70 115.11 116.83 1x66 h GLN 34 Ca -0.01 0.00 0.08 0.00 0.06 0.00 0.00 58.65 58.78 1x66 h GLN 34 Cb 0.58 0.01 -0.05 0.00 0.30 0.00 0.00 27.48 28.32 1x66 h GLN 34 CO 0.02 -0.03 0.50 2.35 -0.67 0.00 0.00 178.83 181.00 1x66 h TRP 35 N -0.05 0.76 0.85 2.96 7.01 -1.09 -1.59 115.95 124.81 1x66 h TRP 35 Ca 0.15 0.02 -0.04 0.00 2.11 0.00 0.00 58.89 61.12 1x66 h TRP 35 Cb 0.27 -0.25 0.01 0.00 -2.10 0.00 0.00 29.16 27.09 1x66 h TRP 35 CO -0.31 0.38 -0.41 1.25 -2.79 0.00 0.00 178.44 176.56 1x66 h LEU 36 N 0.73 -0.96 -2.12 0.65 5.85 -0.89 -1.34 115.31 117.22 1x66 h LEU 36 Ca 0.34 0.03 0.08 0.00 0.84 0.00 0.00 57.88 59.17 1x66 h LEU 36 Cb 0.38 0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.65 1x66 h LEU 36 CO -0.12 -0.62 0.29 -0.33 -0.34 0.00 0.00 178.44 177.32 1x66 h GLU 37 N -1.27 0.00 0.40 1.25 5.08 -1.09 -1.99 114.58 116.96 1x66 h GLU 37 Ca -0.12 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.22 1x66 h GLU 37 Cb 0.88 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.13 1x66 h GLU 37 CO 0.19 0.00 -0.19 2.35 -1.00 0.00 0.00 179.01 180.36 1x66 h TRP 38 N 0.00 -0.49 -0.42 4.33 7.01 -0.97 -2.36 115.95 123.05 1x66 h TRP 38 Ca 0.14 -0.01 0.12 0.00 2.11 0.00 0.00 58.89 61.25 1x66 h TRP 38 Cb 0.72 0.16 -0.02 0.00 -2.10 0.00 0.00 29.16 27.93 1x66 h TRP 38 CO 0.00 -0.27 0.40 0.00 -2.79 0.00 0.00 178.44 175.77 1x66 h ALA 39 N -1.06 2.19 0.32 2.65 0.00 -0.78 0.29 119.26 122.89 1x66 h ALA 39 Ca -0.05 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1x66 h ALA 39 Cb 0.44 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1x66 h ALA 39 CO 0.09 -0.61 -0.16 0.82 0.00 0.00 0.00 179.25 179.39 1x66 h ILE 40 N 0.00 0.13 0.00 0.00 2.04 -1.37 0.24 117.51 118.55 1x66 h ILE 40 Ca 0.20 -0.73 0.00 0.00 1.00 0.00 0.00 64.86 65.33 1x66 h ILE 40 Cb 0.99 0.22 0.00 0.00 -0.74 0.00 0.00 36.82 37.29 1x66 h ILE 40 CO -0.00 0.03 0.00 2.29 0.00 0.00 0.00 178.15 180.47 1x66 n LYS 41 N -5.06 0.08 -0.11 2.37 -0.00 -0.89 -0.11 118.16 114.44 1x66 n LYS 41 Ca -0.06 0.36 -0.23 0.00 -0.00 0.00 0.00 58.31 58.37 1x66 n LYS 41 Cb 0.20 -1.67 -0.10 0.00 -0.00 0.00 0.00 35.03 33.46 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 -1.83 0.56 -0.29 -1.58 4.07 0.99 -4.31 120.64 118.25 1x66 n GLU 42 Ca 0.02 0.45 0.06 0.00 -0.06 0.00 0.00 57.16 57.64 1x66 n GLU 42 Cb 0.17 -1.65 0.20 0.00 -0.06 0.00 0.00 31.44 30.11 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 0.71 -3.76 4.31 4.01 0.85 -4.92 117.16 113.97 1x66 n TYR 43 Ca -0.37 -0.31 -0.24 0.00 -0.16 0.00 0.00 57.90 56.81 1x66 n TYR 43 Cb 0.72 -0.08 0.02 0.00 -0.31 0.00 0.00 39.34 39.69 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 0.65 -1.89 -4.85 7.72 7.64 0.85 -4.95 113.62 118.79 1x66 n SER 44 Ca 0.15 -0.92 -0.33 0.00 1.01 0.00 0.00 58.87 58.78 1x66 n SER 44 Cb 0.46 -3.64 -0.06 0.00 -1.01 0.00 0.00 64.21 59.96 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 -6.68 4.12 0.17 -3.43 1.43 0.63 -5.02 118.68 109.90 1x66 s LEU 45 Ca 0.11 1.20 -0.05 0.00 -1.03 0.00 0.00 54.13 54.36 1x66 s LEU 45 Cb -0.04 -3.92 -0.02 0.00 0.03 0.00 0.00 46.19 42.24 1x66 s LEU 45 CO 0.84 -0.14 0.21 -0.04 0.23 0.00 0.00 176.35 177.45 1x66 s MET 46 N -2.82 1.14 -1.63 1.70 -1.94 -1.26 -4.77 119.30 109.71 1x66 s MET 46 Ca 0.51 -1.35 0.00 0.00 -1.71 0.00 0.00 55.69 53.14 1x66 s MET 46 Cb -0.11 0.33 0.00 0.00 2.01 0.00 0.00 34.83 37.06 1x66 s MET 46 CO 0.19 -0.39 0.00 0.39 -0.01 0.00 0.00 175.02 175.19 1x66 n GLU 47 N -0.21 -1.33 -3.75 2.03 1.02 -1.26 -4.69 120.64 112.46 1x66 n GLU 47 Ca -0.04 0.95 -0.37 0.00 -0.02 0.00 0.00 57.16 57.68 1x66 n GLU 47 Cb 0.64 -5.34 -0.07 0.00 -0.02 0.00 0.00 31.44 26.65 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 -2.79 5.39 -0.78 -3.67 2.07 -1.26 -4.11 121.20 116.04 1x66 s ILE 48 Ca 0.00 0.34 -0.18 0.00 -1.41 0.00 0.00 60.65 59.40 1x66 s ILE 48 Cb 0.00 -3.49 0.13 0.00 0.13 0.00 0.00 42.46 39.23 1x66 s ILE 48 CO 0.00 0.54 0.92 -0.62 -1.91 0.00 0.00 174.94 173.87 1x66 s ASP 49 N -0.50 6.47 0.42 4.50 -1.08 0.84 -4.86 116.67 122.45 1x66 s ASP 49 Ca 0.15 -1.86 0.21 0.00 -0.52 0.00 0.00 52.55 50.53 1x66 s ASP 49 Cb -0.13 -2.34 0.86 0.00 -1.46 0.00 0.00 42.92 39.86 1x66 s ASP 49 CO 0.04 -1.03 1.81 0.71 0.52 0.00 0.00 175.17 177.22 1x66 h THR 50 N 5.68 0.73 0.00 1.71 1.35 -1.97 -2.81 112.91 117.61 1x66 h THR 50 Ca -0.04 -1.24 -0.02 0.00 -0.55 0.00 0.00 66.41 64.57 1x66 h THR 50 Cb 1.05 1.79 -0.00 0.00 -1.73 0.00 0.00 68.15 69.25 1x66 h THR 50 CO 1.05 0.28 -0.08 -1.28 -0.25 0.00 0.00 175.52 175.23 1x66 h SER 51 N 0.00 0.00 0.72 5.36 0.87 -1.98 -1.12 113.55 117.40 1x66 h SER 51 Ca -0.00 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.52 1x66 h SER 51 Cb 0.76 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.72 1x66 h SER 51 CO 0.04 0.08 -0.20 0.15 -0.53 0.00 0.00 176.83 176.37 1x66 h PHE 52 N 0.00 0.00 -0.27 2.24 3.57 -1.90 -2.68 116.94 117.90 1x66 h PHE 52 Ca -0.00 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.46 1x66 h PHE 52 Cb 0.21 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 38.93 1x66 h PHE 52 CO 0.00 0.20 -0.00 1.19 -2.23 0.00 0.00 178.31 177.47 1x66 n PHE 53 N -3.48 0.95 0.22 0.41 3.01 -0.45 -4.58 117.46 113.53 1x66 n PHE 53 Ca -0.01 -1.01 0.09 0.00 1.01 0.00 0.00 57.45 57.53 1x66 n PHE 53 Cb 0.37 -0.34 0.51 0.00 -0.01 0.00 0.00 39.48 40.00 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 1.58 0.00 -0.43 -1.08 3.07 -1.14 -3.24 115.11 113.87 1x66 h GLN 54 Ca 0.04 0.00 -0.27 0.00 0.09 0.00 0.00 58.65 58.52 1x66 h GLN 54 Cb 1.48 0.00 -0.40 0.00 0.08 0.00 0.00 27.48 28.64 1x66 h GLN 54 CO 0.25 0.25 -1.07 -1.71 0.09 0.00 0.00 178.83 176.64 1x66 n ASN 55 N -3.65 1.91 -4.22 0.06 2.85 -1.26 -4.92 115.26 106.04 1x66 n ASN 55 Ca -0.01 -2.23 -0.41 0.00 -0.11 0.00 0.00 54.58 51.81 1x66 n ASN 55 Cb 0.37 -0.45 -0.08 0.00 1.24 0.00 0.00 39.78 40.86 1x66 n ASN 55 CO 0.00 0.00 0.00 -0.32 -2.11 0.00 0.00 177.26 174.83 1x66 s MET 56 N -3.50 2.56 0.65 1.20 1.75 -1.22 -5.05 119.30 115.70 1x66 s MET 56 Ca 0.30 -1.83 -0.18 0.00 -1.25 0.00 0.00 55.69 52.74 1x66 s MET 56 Cb 0.34 -3.96 -0.01 0.00 2.84 0.00 0.00 34.83 34.03 1x66 s MET 56 CO -0.04 -1.21 1.25 -0.40 -0.65 0.00 0.00 175.02 173.97 1x66 n ASP 57 N 4.82 1.86 -0.40 1.11 5.68 -1.26 -4.64 116.55 123.73 1x66 n ASP 57 Ca -0.07 0.81 0.32 0.00 -0.50 0.00 0.00 54.79 55.36 1x66 n ASP 57 Cb 0.41 -1.53 0.60 0.00 -1.14 0.00 0.00 41.12 39.45 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 0.44 1.50 0.98 6.12 0.00 -0.61 0.35 103.07 111.85 1x66 h GLY 58 Ca -0.50 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 46.68 1x66 h GLY 58 CO 0.52 -0.41 0.06 0.50 0.00 0.00 0.00 176.54 177.21 1x66 h LYS 59 N 0.16 0.13 0.00 4.80 1.79 -1.75 -1.02 116.57 120.68 1x66 h LYS 59 Ca 0.78 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 59.23 1x66 h LYS 59 Cb 2.24 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 32.86 1x66 h LYS 59 CO -0.46 0.11 0.00 0.39 -1.08 0.00 0.00 179.45 178.41 1x66 n GLU 60 N -5.01 0.05 0.02 3.15 -0.58 0.11 -2.61 120.64 115.78 1x66 n GLU 60 Ca -0.05 0.21 -0.05 0.00 -0.42 0.00 0.00 57.16 56.85 1x66 n GLU 60 Cb 0.04 -1.58 -0.10 0.00 -0.57 0.00 0.00 31.44 29.23 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 0.00 0.00 -4.62 5.85 -0.19 -3.12 115.31 113.23 1x66 h LEU 61 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1x66 h LEU 61 Cb 0.37 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.40 1x66 h LEU 61 CO 0.00 0.82 -0.54 0.00 -0.34 0.00 0.00 178.44 178.38 1x66 h LYS 63 N 0.00 0.00 -6.67 0.00 2.10 -1.61 -3.47 116.57 106.92 1x66 h LYS 63 Ca 0.00 0.00 -0.58 0.00 -2.00 0.00 0.00 60.65 58.07 1x66 h LYS 63 Cb 0.79 0.00 0.17 0.00 -0.90 0.00 0.00 32.23 32.28 1x66 h LYS 63 CO 0.00 0.51 -0.14 -1.33 -2.00 0.00 0.00 179.45 176.49 1x66 n MET 64 N -3.05 0.69 -4.74 0.07 2.81 -1.18 -5.02 117.12 106.71 1x66 n MET 64 Ca -0.15 0.27 -0.32 0.00 -1.81 0.00 0.00 57.70 55.68 1x66 n MET 64 Cb 1.03 -1.93 -0.08 0.00 -0.71 0.00 0.00 33.22 31.54 1x66 n MET 64 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1x66 s ASN 65 N -1.21 4.01 0.36 7.83 2.20 -1.26 -4.96 114.94 121.91 1x66 s ASN 65 Ca 0.72 -1.67 0.12 0.00 -0.94 0.00 0.00 52.86 51.10 1x66 s ASN 65 Cb -0.43 0.54 0.92 0.00 -2.00 0.00 0.00 41.25 40.28 1x66 s ASN 65 CO 0.51 -0.87 1.82 0.50 -2.94 0.00 0.00 177.10 176.11 1x66 h LYS 66 N 1.38 0.57 0.54 3.55 1.63 -1.95 0.17 116.57 122.46 1x66 h LYS 66 Ca -0.43 -0.03 -0.03 0.00 -0.85 0.00 0.00 60.65 59.31 1x66 h LYS 66 Cb 1.31 -0.13 0.01 0.00 -0.60 0.00 0.00 32.23 32.82 1x66 h LYS 66 CO 0.72 0.38 -0.26 0.93 -3.45 0.00 0.00 179.45 177.77 1x66 h GLU 67 N 0.58 -0.70 -0.40 1.90 4.39 -1.98 0.16 114.58 118.54 1x66 h GLU 67 Ca 0.53 0.05 0.12 0.00 0.34 0.00 0.00 59.36 60.39 1x66 h GLU 67 Cb 1.05 0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 29.84 1x66 h GLU 67 CO -0.27 -0.44 0.34 -0.44 -1.16 0.00 0.00 179.01 177.04 1x66 h ASP 68 N -1.17 0.00 0.68 1.42 3.32 -1.83 0.68 116.42 119.54 1x66 h ASP 68 Ca -0.07 0.00 -0.26 0.00 0.02 0.00 0.00 57.03 56.71 1x66 h ASP 68 Cb 0.58 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.11 1x66 h ASP 68 CO 0.12 0.00 -1.35 -0.26 -1.72 0.00 0.00 179.24 176.03 1x66 h PHE 69 N 0.00 0.17 0.00 4.55 0.04 -0.62 -3.27 116.94 117.80 1x66 h PHE 69 Ca 0.19 -0.12 0.00 0.00 2.80 0.00 0.00 57.97 60.84 1x66 h PHE 69 Cb 0.87 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 39.02 1x66 h PHE 69 CO 0.00 1.13 0.00 -0.07 -0.60 0.00 0.00 178.31 178.77 1x66 h LEU 70 N 0.03 0.00 -0.33 1.54 3.38 0.17 0.25 115.31 120.35 1x66 h LEU 70 Ca -0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.81 1x66 h LEU 70 Cb 1.92 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.67 1x66 h LEU 70 CO 0.13 0.00 0.00 0.54 0.09 0.00 0.00 178.44 179.20 1x66 n ARG 71 N -2.88 1.22 0.00 1.13 1.74 -0.84 -4.06 116.66 112.98 1x66 n ARG 71 Ca 0.01 -0.33 0.00 0.00 -0.77 0.00 0.00 57.85 56.76 1x66 n ARG 71 Cb 0.27 -1.41 0.00 0.00 -1.02 0.00 0.00 32.46 30.29 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 -0.54 1.94 -2.44 7.54 0.00 -0.77 -5.02 120.51 121.23 1x66 n ALA 72 Ca 0.19 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.41 1x66 n ALA 72 Cb 0.17 0.17 -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 -1.36 1.91 1.04 0.00 -1.32 0.81 -0.11 115.64 116.60 1x66 s THR 73 Ca 0.00 -2.01 -0.12 0.00 -1.21 0.00 0.00 61.69 58.35 1x66 s THR 73 Cb 0.00 -1.93 0.21 0.00 -1.51 0.00 0.00 72.50 69.27 1x66 s THR 73 CO 0.00 -0.34 1.08 0.28 -2.21 0.00 0.00 174.62 173.42 1x66 s THR 74 N -2.18 2.16 0.10 5.08 -1.32 -1.26 -4.02 115.64 114.20 1x66 s THR 74 Ca 0.18 0.05 -0.25 0.00 -1.21 0.00 0.00 61.69 60.47 1x66 s THR 74 Cb -0.05 -2.19 -0.11 0.00 -1.51 0.00 0.00 72.50 68.64 1x66 s THR 74 CO 0.08 -0.07 1.69 0.25 -2.21 0.00 0.00 174.62 174.36 1x66 h LEU 75 N -2.19 -0.35 -0.42 9.08 5.85 -1.94 0.10 115.31 125.44 1x66 h LEU 75 Ca -0.54 0.04 0.09 0.00 0.84 0.00 0.00 57.88 58.31 1x66 h LEU 75 Cb 1.30 0.13 -0.09 0.00 0.37 0.00 0.00 40.66 42.38 1x66 h LEU 75 CO 0.49 -0.19 -0.22 0.22 -0.34 0.00 0.00 178.44 178.39 1x66 h TYR 76 N -0.26 -0.57 -0.52 1.25 5.03 -2.00 0.16 116.97 120.06 1x66 h TYR 76 Ca 0.02 0.05 -0.05 0.00 2.58 0.00 0.00 58.73 61.33 1x66 h TYR 76 Cb 0.27 0.31 -0.02 0.00 1.55 0.00 0.00 36.73 38.84 1x66 h TYR 76 CO -0.15 -0.30 0.11 -0.91 -1.32 0.00 0.00 178.16 175.59 1x66 h ASN 77 N -0.14 0.75 -0.94 -2.11 2.35 -1.86 -2.67 115.58 110.95 1x66 h ASN 77 Ca 0.20 -0.14 0.05 0.00 -0.55 0.00 0.00 56.30 55.86 1x66 h ASN 77 Cb 0.46 -0.19 -0.06 0.00 0.05 0.00 0.00 38.32 38.57 1x66 h ASN 77 CO -0.51 0.75 0.61 0.74 -1.65 0.00 0.00 177.43 177.37 1x66 h THR 78 N 0.77 1.13 -0.49 2.81 2.02 0.11 -0.86 112.91 118.39 1x66 h THR 78 Ca 0.17 -0.40 -0.09 0.00 0.77 0.00 0.00 66.41 66.86 1x66 h THR 78 Cb 0.31 -0.13 -0.02 0.00 -1.74 0.00 0.00 68.15 66.57 1x66 h THR 78 CO 0.00 0.21 -0.04 -0.33 0.37 0.00 0.00 175.52 175.73 1x66 h GLU 79 N 1.16 0.85 0.35 6.66 5.08 -0.88 -1.37 114.58 126.44 1x66 h GLU 79 Ca 0.39 -0.26 -0.02 0.00 -1.00 0.00 0.00 59.36 58.47 1x66 h GLU 79 Cb 0.06 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.23 1x66 h GLU 79 CO -0.14 0.88 -0.17 0.28 -1.00 0.00 0.00 179.01 178.86 1x66 h VAL 80 N 0.79 0.62 0.26 3.13 2.07 -1.16 -0.69 116.25 121.26 1x66 h VAL 80 Ca 0.14 -0.53 0.00 0.00 0.82 0.00 0.00 66.70 67.13 1x66 h VAL 80 Cb 0.53 0.87 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 1x66 h VAL 80 CO 0.03 0.10 -0.29 -0.07 0.02 0.00 0.00 177.57 177.36 1x66 h LEU 81 N -0.79 -0.77 -0.44 2.57 3.38 -1.19 0.25 115.31 118.31 1x66 h LEU 81 Ca -0.05 0.07 0.07 0.00 0.09 0.00 0.00 57.88 58.07 1x66 h LEU 81 Cb 0.52 0.27 -0.06 0.00 0.09 0.00 0.00 40.66 41.48 1x66 h LEU 81 CO 0.08 -0.41 0.08 -0.07 0.09 0.00 0.00 178.44 178.22 1x66 h LEU 82 N -0.59 -0.01 -0.40 1.67 -0.00 -1.32 0.20 115.31 114.86 1x66 h LEU 82 Ca -0.01 0.08 -0.00 0.00 -0.00 0.00 0.00 57.88 57.95 1x66 h LEU 82 Cb 0.55 0.11 -0.02 0.00 -0.00 0.00 0.00 40.66 41.30 1x66 h LEU 82 CO -0.07 0.03 0.23 -1.28 -0.00 0.00 0.00 178.44 177.35 1x66 h SER 83 N 0.21 0.49 0.63 -0.43 0.87 -0.81 0.24 113.55 114.75 1x66 h SER 83 Ca 0.22 -0.07 -0.03 0.00 -1.23 0.00 0.00 61.79 60.68 1x66 h SER 83 Cb 0.28 -0.12 0.01 0.00 -0.44 0.00 0.00 62.40 62.12 1x66 h SER 83 CO -0.29 0.42 -0.30 -0.74 -0.53 0.00 0.00 176.83 175.38 1x66 h HIS 84 N 0.53 -0.79 -0.56 2.24 -0.00 0.18 -2.90 115.15 113.85 1x66 h HIS 84 Ca 0.14 -0.02 0.03 0.00 -0.00 0.00 0.00 60.37 60.52 1x66 h HIS 84 Cb 0.02 0.26 -0.03 0.00 -0.00 0.00 0.00 27.41 27.66 1x66 h HIS 84 CO -0.03 -0.46 0.37 1.25 -0.00 0.00 0.00 177.93 179.06 1x66 h LEU 85 N -0.93 0.57 -1.91 0.26 5.85 -0.57 -1.37 115.31 117.21 1x66 h LEU 85 Ca -0.09 -0.01 0.23 0.00 0.84 0.00 0.00 57.88 58.86 1x66 h LEU 85 Cb 0.68 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.53 1x66 h LEU 85 CO 0.14 0.40 0.59 -1.28 -0.34 0.00 0.00 178.44 177.95 1x66 h SER 86 N 0.67 0.07 0.00 1.25 0.87 -0.31 0.25 113.55 116.35 1x66 h SER 86 Ca 0.22 0.01 -0.08 0.00 -1.23 0.00 0.00 61.79 60.71 1x66 h SER 86 Cb 0.07 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.01 1x66 h SER 86 CO -0.06 0.03 -0.58 0.22 -0.53 0.00 0.00 176.83 175.91 1x66 h TYR 87 N 0.07 0.00 -0.42 2.24 3.20 -1.21 -3.29 116.97 117.55 1x66 h TYR 87 Ca 0.40 0.00 0.12 0.00 3.14 0.00 0.00 58.73 62.40 1x66 h TYR 87 Cb 1.49 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 39.74 1x66 h TYR 87 CO -0.00 0.75 0.38 -0.07 -1.64 0.00 0.00 178.16 177.58 1x66 h LEU 88 N -1.00 0.00 -0.47 2.82 4.07 -1.13 0.12 115.31 119.72 1x66 h LEU 88 Ca -0.13 0.00 -0.17 0.00 0.08 0.00 0.00 57.88 57.67 1x66 h LEU 88 Cb 0.81 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.55 1x66 h LEU 88 CO -0.08 0.00 -0.56 0.03 -1.08 0.00 0.00 178.44 176.75 1x66 h ARG 89 N 0.00 0.61 -0.88 1.13 3.08 -0.65 -3.02 114.38 114.65 1x66 h ARG 89 Ca 0.20 -0.39 -0.31 0.00 0.07 0.00 0.00 59.98 59.56 1x66 h ARG 89 Cb 0.96 0.05 -0.18 0.00 0.08 0.00 0.00 29.97 30.87 1x66 h ARG 89 CO -0.00 1.00 0.39 0.39 -1.07 0.00 0.00 179.97 180.68 1x66 n GLU 90 N -3.96 2.85 -2.80 0.04 -0.58 0.36 -4.57 120.64 111.97 1x66 n GLU 90 Ca -0.03 -2.67 -0.33 0.00 -0.42 0.00 0.00 57.16 53.71 1x66 n GLU 90 Cb 0.62 -2.08 -0.01 0.00 -0.57 0.00 0.00 31.44 29.39 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 -0.46 5.72 0.00 1.62 2.88 -0.93 -4.54 113.62 117.92 1x66 n SER 91 Ca 0.43 -3.69 0.00 0.00 -1.33 0.00 0.00 58.87 54.28 1x66 n SER 91 Cb 1.39 -0.82 0.00 0.00 -0.75 0.00 0.00 64.21 64.03 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 -0.18 0.00 -4.42 -3.46 2.88 -1.26 -4.45 113.62 102.73 1x66 n SER 92 Ca 0.38 0.00 -0.29 0.00 -1.33 0.00 0.00 58.87 57.63 1x66 n SER 92 Cb 0.34 0.02 -0.13 0.00 -0.75 0.00 0.00 64.21 63.69 1x66 n SER 92 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1x66 s SER 93 N -1.17 3.48 0.00 -3.46 0.01 -1.26 -5.00 113.70 106.29 1x66 s SER 93 Ca 0.00 -0.70 0.00 0.00 1.31 0.00 0.00 55.95 56.56 1x66 s SER 93 Cb 0.00 -0.31 0.00 0.00 0.21 0.00 0.00 66.02 65.92 1x66 s SER 93 CO 0.00 0.18 0.00 0.61 0.41 0.00 0.00 173.24 174.44 1x66 n GLY 94 N 0.86 -1.82 3.58 3.44 0.00 -1.26 -4.71 105.19 105.28 1x66 n GLY 94 Ca -0.17 -1.81 -0.28 0.00 0.00 0.00 0.00 46.02 43.75 1x66 n GLY 94 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x66 s PRO 95 N 0.00 2.49 -0.41 1.61 0.04 -1.26 -4.61 135.00 132.86 1x66 s PRO 95 Ca 0.00 -1.09 0.09 0.00 0.04 0.00 0.00 61.00 60.04 1x66 s PRO 95 Cb 0.00 -5.23 0.35 0.00 0.04 0.00 0.00 34.50 29.66 1x66 s PRO 95 CO 0.00 -3.95 0.97 -1.13 0.04 0.00 0.00 177.00 172.94 1x66 n SER 96 N 14.40 -0.83 -4.28 6.66 3.41 -1.26 -5.09 113.62 126.62 1x66 n SER 96 Ca 0.44 -3.28 -0.37 0.00 -0.26 0.00 0.00 58.87 55.41 1x66 n SER 96 Cb 0.47 0.71 -0.13 0.00 -0.26 0.00 0.00 64.21 65.00 1x66 n SER 96 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1x66 s SER 97 N -1.84 5.10 0.00 4.04 0.15 -1.26 -4.85 113.70 115.03 1x66 s SER 97 Ca 0.29 -0.97 0.00 0.00 0.70 0.00 0.00 55.95 55.98 1x66 s SER 97 Cb 0.33 -1.84 0.00 0.00 -1.71 0.00 0.00 66.02 62.81 1x66 s SER 97 CO -0.06 -0.25 0.00 0.61 1.20 0.00 0.00 173.24 174.74