#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b2t n GLN 1 N 0.00 2.63 -3.68 2.12 1.13 -1.26 -4.96 117.38 113.35 1b2t n GLN 1 Ca 0.00 -2.37 -0.12 0.00 -1.94 0.00 0.00 57.00 52.57 1b2t n GLN 1 Cb 0.00 -1.46 -0.06 0.00 0.11 0.00 0.00 30.24 28.82 1b2t n GLN 1 CO 0.00 0.00 0.00 -1.01 -1.44 0.00 0.00 177.06 174.61 1b2t s HIS 2 N -1.10 -0.24 -0.74 1.08 3.76 -1.26 -5.09 115.29 111.71 1b2t s HIS 2 Ca 0.39 0.17 -0.26 0.00 -0.15 0.00 0.00 55.06 55.21 1b2t s HIS 2 Cb 0.21 0.20 -0.04 0.00 1.11 0.00 0.00 32.58 34.06 1b2t s HIS 2 CO 0.28 -0.57 1.93 -1.01 -0.85 0.00 0.00 174.74 174.52 1b2t s HIS 3 N -2.55 1.69 0.00 1.40 3.76 -1.26 -2.65 115.29 115.68 1b2t s HIS 3 Ca -0.05 0.78 0.00 0.00 -0.15 0.00 0.00 55.06 55.64 1b2t s HIS 3 Cb -0.01 -4.04 0.00 0.00 1.11 0.00 0.00 32.58 29.65 1b2t s HIS 3 CO -0.03 -2.06 0.00 0.41 -0.85 0.00 0.00 174.74 172.21 1b2t n GLY 4 N 6.23 1.33 2.98 -2.22 0.00 -1.26 -5.09 105.19 107.16 1b2t n GLY 4 Ca 0.30 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.01 1b2t n GLY 4 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1b2t s VAL 5 N -1.33 3.45 0.00 1.61 1.01 -1.09 -4.75 120.40 119.30 1b2t s VAL 5 Ca 0.00 -4.06 0.00 0.00 0.00 0.00 0.00 61.98 57.92 1b2t s VAL 5 Cb 0.00 -3.21 0.00 0.00 0.00 0.00 0.00 36.38 33.17 1b2t s VAL 5 CO 0.00 -1.02 0.13 0.35 0.00 0.00 0.00 175.10 174.55 1b2t n THR 6 N 2.19 0.00 -2.96 3.92 -2.24 -1.26 -4.08 114.28 109.85 1b2t n THR 6 Ca 0.19 -0.31 -0.12 0.00 -2.27 0.00 0.00 64.05 61.54 1b2t n THR 6 Cb 0.36 1.15 0.05 0.00 -2.10 0.00 0.00 70.33 69.79 1b2t n THR 6 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1b2t n LYS 7 N -0.37 -4.21 -3.16 -0.78 5.02 -1.26 -4.92 118.16 108.48 1b2t n LYS 7 Ca 0.00 0.50 0.03 0.00 -2.02 0.00 0.00 58.31 56.82 1b2t n LYS 7 Cb 0.04 -4.49 -0.00 0.00 -0.02 0.00 0.00 35.03 30.55 1b2t n LYS 7 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1b2t n ASN 9 N 5.09 0.10 -3.77 0.00 6.94 -1.26 -3.61 115.26 118.75 1b2t n ASN 9 Ca 0.07 0.85 -0.23 0.00 -0.02 0.00 0.00 54.58 55.25 1b2t n ASN 9 Cb 0.55 -0.42 -0.17 0.00 -2.36 0.00 0.00 39.78 37.38 1b2t n ASN 9 CO 0.00 0.00 0.00 -0.51 -1.03 0.00 0.00 177.26 175.72 1b2t s ILE 10 N -4.57 0.42 0.15 1.53 2.07 -1.26 -5.14 121.20 114.40 1b2t s ILE 10 Ca -0.04 0.06 0.10 0.00 -1.41 0.00 0.00 60.65 59.35 1b2t s ILE 10 Cb 0.20 -0.59 -0.04 0.00 0.13 0.00 0.00 42.46 42.16 1b2t s ILE 10 CO 0.57 0.23 -0.22 0.28 -1.91 0.00 0.00 174.94 173.89 1b2t s THR 11 N 1.95 2.00 -1.08 4.00 -1.32 -1.24 -4.69 115.64 115.27 1b2t s THR 11 Ca 0.05 -1.83 -0.03 0.00 -1.21 0.00 0.00 61.69 58.67 1b2t s THR 11 Cb -0.13 -1.87 0.29 0.00 -1.51 0.00 0.00 72.50 69.29 1b2t s THR 11 CO -0.06 -0.14 1.76 0.00 -2.21 0.00 0.00 174.62 173.98 1b2t h SER 13 N 4.72 0.00 -2.14 0.00 4.64 -1.92 -2.86 113.55 115.98 1b2t h SER 13 Ca 0.43 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.69 1b2t h SER 13 Cb 0.43 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.50 1b2t h SER 13 CO 1.28 0.37 -0.04 1.17 -0.87 0.00 0.00 176.83 178.74 1b2t n LYS 14 N -3.38 0.14 -4.41 4.77 3.00 -1.26 -4.98 118.16 112.04 1b2t n LYS 14 Ca 0.01 -0.61 -0.24 0.00 -0.00 0.00 0.00 58.31 57.47 1b2t n LYS 14 Cb 0.56 0.57 -0.13 0.00 0.00 0.00 0.00 35.03 36.04 1b2t n LYS 14 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.40 175.76 1b2t s MET 15 N -2.18 1.19 0.00 1.64 -1.94 -1.26 -4.62 119.30 112.12 1b2t s MET 15 Ca 0.06 -1.05 0.00 0.00 -1.71 0.00 0.00 55.69 53.00 1b2t s MET 15 Cb -0.00 -1.37 0.00 0.00 2.01 0.00 0.00 34.83 35.47 1b2t s MET 15 CO 0.05 0.33 0.00 -2.37 -0.01 0.00 0.00 175.02 173.02 1b2t n THR 16 N 1.42 0.00 -3.40 2.05 5.66 -1.23 -5.04 114.28 113.74 1b2t n THR 16 Ca -0.19 0.00 -0.16 0.00 -3.05 0.00 0.00 64.05 60.65 1b2t n THR 16 Cb 0.54 -1.55 0.02 0.00 -1.55 0.00 0.00 70.33 67.79 1b2t n THR 16 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 1b2t n SER 17 N -2.82 1.88 -4.68 1.09 2.88 -1.26 -5.02 113.62 105.69 1b2t n SER 17 Ca 0.00 -2.23 -0.42 0.00 -1.33 0.00 0.00 58.87 54.89 1b2t n SER 17 Cb 0.00 -0.17 -0.03 0.00 -0.75 0.00 0.00 64.21 63.26 1b2t n SER 17 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 1b2t s LYS 18 N -3.75 4.20 -0.04 -1.46 2.20 -1.26 -5.00 119.74 114.63 1b2t s LYS 18 Ca 0.33 2.24 0.06 0.00 -0.36 0.00 0.00 55.97 58.24 1b2t s LYS 18 Cb -0.03 -3.75 -0.01 0.00 -1.51 0.00 0.00 37.83 32.53 1b2t s LYS 18 CO 0.21 -0.76 -0.21 0.42 -0.36 0.00 0.00 175.35 174.65 1b2t s ILE 19 N 3.17 1.72 0.34 5.43 1.01 -1.26 -5.11 121.20 126.49 1b2t s ILE 19 Ca 0.73 -0.89 -0.29 0.00 0.00 0.00 0.00 60.65 60.20 1b2t s ILE 19 Cb -0.36 -1.45 -0.12 0.00 0.01 0.00 0.00 42.46 40.54 1b2t s ILE 19 CO 0.31 0.48 1.47 -2.65 0.00 0.00 0.00 174.94 174.55 1b2t n PRO 20 N 2.90 2.54 0.23 2.79 -0.02 -1.26 -4.89 135.00 137.28 1b2t n PRO 20 Ca -0.17 0.89 0.09 0.00 -2.02 0.00 0.00 63.50 62.29 1b2t n PRO 20 Cb 0.52 -2.60 0.52 0.00 -0.02 0.00 0.00 33.50 31.93 1b2t n PRO 20 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1b2t h VAL 21 N 2.96 0.71 0.00 -1.45 2.07 -1.93 -2.31 116.25 116.29 1b2t h VAL 21 Ca -0.49 -1.00 0.00 0.00 0.82 0.00 0.00 66.70 66.03 1b2t h VAL 21 Cb 1.25 1.63 0.00 0.00 -1.52 0.00 0.00 31.29 32.65 1b2t h VAL 21 CO 0.68 0.23 0.00 0.00 0.02 0.00 0.00 177.57 178.50 1b2t n ALA 22 N -2.29 1.40 -0.01 1.67 0.00 -1.26 -1.50 120.51 118.53 1b2t n ALA 22 Ca -0.01 -0.03 0.08 0.00 0.00 0.00 0.00 53.44 53.49 1b2t n ALA 22 Cb 0.37 -1.13 -0.13 0.00 0.00 0.00 0.00 19.45 18.56 1b2t n ALA 22 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1b2t n LEU 23 N -1.46 0.00 -4.71 0.00 7.99 -0.87 -4.95 117.00 113.00 1b2t n LEU 23 Ca 0.02 -0.00 -0.41 0.00 -0.01 0.00 0.00 56.01 55.61 1b2t n LEU 23 Cb 0.09 0.00 -0.03 0.00 -0.11 0.00 0.00 43.42 43.36 1b2t n LEU 23 CO 0.07 0.00 0.61 -0.76 -1.51 0.00 0.00 177.39 175.80 1b2t s LEU 24 N -4.15 4.34 -0.05 2.23 1.43 -0.56 -1.03 118.68 120.88 1b2t s LEU 24 Ca -0.06 1.50 0.06 0.00 -1.03 0.00 0.00 54.13 54.60 1b2t s LEU 24 Cb 0.11 -3.42 -0.09 0.00 0.03 0.00 0.00 46.19 42.82 1b2t s LEU 24 CO 0.69 -0.24 0.06 2.30 0.23 0.00 0.00 176.35 179.39 1b2t n ILE 25 N 3.95 0.32 -3.67 -0.59 -5.35 -0.24 -4.89 119.36 108.89 1b2t n ILE 25 Ca 0.04 -0.24 -0.14 0.00 -0.27 0.00 0.00 62.75 62.14 1b2t n ILE 25 Cb 0.51 -0.50 -0.07 0.00 -1.74 0.00 0.00 39.64 37.84 1b2t n ILE 25 CO 0.00 0.00 0.00 -1.00 -1.76 0.00 0.00 176.55 173.79 1b2t s HIS 26 N -2.25 -0.31 -0.18 4.28 3.76 -0.95 -5.04 115.29 114.59 1b2t s HIS 26 Ca -0.03 0.41 -0.02 0.00 -0.15 0.00 0.00 55.06 55.27 1b2t s HIS 26 Cb 0.03 0.21 0.06 0.00 1.11 0.00 0.00 32.58 33.98 1b2t s HIS 26 CO 0.27 -0.51 0.02 1.52 -0.85 0.00 0.00 174.74 175.19 1b2t s TYR 27 N -1.79 1.16 0.00 1.40 1.13 -1.26 0.18 117.35 118.17 1b2t s TYR 27 Ca -0.10 -0.88 0.00 0.00 -1.41 0.00 0.00 57.07 54.68 1b2t s TYR 27 Cb -0.02 -1.07 0.00 0.00 -1.10 0.00 0.00 41.96 39.76 1b2t s TYR 27 CO 0.03 -0.60 0.00 1.04 -2.51 0.00 0.00 175.55 173.51 1b2t n GLN 28 N 5.01 1.36 -4.11 -3.49 6.02 0.64 -4.87 117.38 117.95 1b2t n GLN 28 Ca -0.09 0.00 -0.23 0.00 -0.01 0.00 0.00 57.00 56.67 1b2t n GLN 28 Cb 0.47 0.00 -0.17 0.00 1.02 0.00 0.00 30.24 31.56 1b2t n GLN 28 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.06 174.91 1b2t s GLN 29 N -0.88 1.15 0.18 -1.09 2.00 -1.26 -0.37 119.66 119.39 1b2t s GLN 29 Ca 0.00 -0.17 -0.32 0.00 -2.00 0.00 0.00 55.36 52.88 1b2t s GLN 29 Cb 0.00 -1.17 -0.11 0.00 0.80 0.00 0.00 33.01 32.53 1b2t s GLN 29 CO 0.00 -0.15 1.65 1.21 -0.50 0.00 0.00 175.29 177.50 1b2t s ASN 30 N 1.26 6.49 0.17 6.67 2.47 -1.25 -4.87 114.94 125.88 1b2t s ASN 30 Ca -0.05 2.73 -0.33 0.00 0.42 0.00 0.00 52.86 55.63 1b2t s ASN 30 Cb -0.14 -2.59 -0.15 0.00 -1.45 0.00 0.00 41.25 36.92 1b2t s ASN 30 CO -0.02 -0.90 1.30 0.00 -3.72 0.00 0.00 177.10 173.76 1b2t n GLN 31 N 4.09 1.46 0.06 0.43 6.02 -1.26 -4.73 117.38 123.45 1b2t n GLN 31 Ca 0.15 0.52 0.06 0.00 -0.01 0.00 0.00 57.00 57.72 1b2t n GLN 31 Cb 0.37 -2.11 0.29 0.00 1.02 0.00 0.00 30.24 29.81 1b2t n GLN 31 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1b2t n ALA 32 N 1.99 1.22 -0.36 -1.58 0.00 -1.26 -1.14 120.51 119.38 1b2t n ALA 32 Ca 0.15 0.06 0.06 0.00 0.00 0.00 0.00 53.44 53.71 1b2t n ALA 32 Cb 0.25 -1.18 0.30 0.00 0.00 0.00 0.00 19.45 18.82 1b2t n ALA 32 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1b2t n SER 33 N -1.81 4.41 0.00 0.00 3.41 -1.26 -4.90 113.62 113.46 1b2t n SER 33 Ca 0.01 -2.61 0.00 0.00 -0.26 0.00 0.00 58.87 56.01 1b2t n SER 33 Cb 0.07 -0.61 0.00 0.00 -0.26 0.00 0.00 64.21 63.42 1b2t n SER 33 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1b2t n GLY 35 N 2.69 -1.63 3.47 0.00 0.00 -1.26 -4.77 105.19 103.68 1b2t n GLY 35 Ca 0.00 -0.53 -0.44 0.00 0.00 0.00 0.00 46.02 45.05 1b2t n GLY 35 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1b2t n LYS 36 N -0.65 0.61 -1.74 1.61 4.01 -1.08 -4.54 118.16 116.38 1b2t n LYS 36 Ca 0.06 0.22 -0.18 0.00 -0.51 0.00 0.00 58.31 57.89 1b2t n LYS 36 Cb 0.25 -1.43 -0.07 0.00 -0.51 0.00 0.00 35.03 33.27 1b2t n LYS 36 CO 0.00 0.00 0.00 -0.98 -1.11 0.00 0.00 177.40 175.31 1b2t s ARG 37 N -1.37 1.91 0.00 1.97 1.70 -1.26 -4.44 118.95 117.45 1b2t s ARG 37 Ca 0.62 0.12 0.00 0.00 -0.47 0.00 0.00 55.73 56.00 1b2t s ARG 37 Cb -0.73 -4.90 0.00 0.00 -0.57 0.00 0.00 34.95 28.75 1b2t s ARG 37 CO 0.58 -4.16 0.00 0.00 -1.08 0.00 0.00 175.30 170.64 1b2t n ALA 38 N 17.10 0.00 -2.41 7.88 0.00 -1.26 -4.91 120.51 136.91 1b2t n ALA 38 Ca 0.44 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.61 1b2t n ALA 38 Cb 0.45 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.78 1b2t n ALA 38 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1b2t s ILE 39 N 1.66 2.33 -0.18 0.00 -1.09 -0.29 -3.89 121.20 119.74 1b2t s ILE 39 Ca 0.00 -1.93 -0.06 0.00 -2.23 0.00 0.00 60.65 56.43 1b2t s ILE 39 Cb 0.00 -2.09 -0.04 0.00 -1.58 0.00 0.00 42.46 38.76 1b2t s ILE 39 CO 0.00 -0.04 0.04 -0.63 -1.23 0.00 0.00 174.94 173.08 1b2t s ILE 40 N -1.45 4.55 -0.18 2.92 -1.09 0.50 -0.96 121.20 125.49 1b2t s ILE 40 Ca 0.18 -0.12 0.01 0.00 -2.23 0.00 0.00 60.65 58.49 1b2t s ILE 40 Cb -0.09 -3.04 0.03 0.00 -1.58 0.00 0.00 42.46 37.79 1b2t s ILE 40 CO 0.08 0.47 -0.14 -0.76 -1.23 0.00 0.00 174.94 173.36 1b2t s LEU 41 N 0.39 2.13 -0.19 2.97 1.43 -0.61 -0.26 118.68 124.54 1b2t s LEU 41 Ca 0.01 -0.73 -0.04 0.00 -1.03 0.00 0.00 54.13 52.34 1b2t s LEU 41 Cb -0.13 -1.30 -0.02 0.00 0.03 0.00 0.00 46.19 44.77 1b2t s LEU 41 CO 0.01 -0.08 -0.02 -0.70 0.23 0.00 0.00 176.35 175.78 1b2t s GLU 42 N 1.38 3.56 0.29 1.70 2.12 0.13 -2.02 118.70 125.85 1b2t s GLU 42 Ca 0.02 -0.56 0.07 0.00 0.36 0.00 0.00 54.97 54.86 1b2t s GLU 42 Cb -0.14 -3.00 -0.03 0.00 0.26 0.00 0.00 34.13 31.21 1b2t s GLU 42 CO -0.10 0.02 0.29 0.95 -0.54 0.00 0.00 175.26 175.87 1b2t s THR 43 N 0.96 4.18 0.58 -1.70 -4.23 -0.65 -1.07 115.64 113.71 1b2t s THR 43 Ca 0.01 -1.29 0.21 0.00 -1.18 0.00 0.00 61.69 59.44 1b2t s THR 43 Cb -0.14 -3.39 0.21 0.00 1.34 0.00 0.00 72.50 70.52 1b2t s THR 43 CO 0.01 -0.26 1.63 0.03 -0.54 0.00 0.00 174.62 175.49 1b2t h ARG 44 N 1.29 0.00 -1.00 3.99 3.08 -1.43 0.22 114.38 120.53 1b2t h ARG 44 Ca -0.47 0.00 -0.66 0.00 0.07 0.00 0.00 59.98 58.92 1b2t h ARG 44 Cb 1.25 0.00 -0.31 0.00 0.08 0.00 0.00 29.97 30.98 1b2t h ARG 44 CO 0.59 0.00 0.58 1.04 -1.07 0.00 0.00 179.97 181.11 1b2t n GLN 45 N -2.68 2.86 -4.16 0.04 1.13 -1.26 -4.89 117.38 108.41 1b2t n GLN 45 Ca -0.01 -3.46 -0.31 0.00 -1.94 0.00 0.00 57.00 51.28 1b2t n GLN 45 Cb 0.51 -2.29 -0.06 0.00 0.11 0.00 0.00 30.24 28.51 1b2t n GLN 45 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 1b2t n HIS 46 N -0.87 -1.41 -3.50 1.08 8.25 0.77 -4.89 115.22 114.66 1b2t n HIS 46 Ca 0.59 0.60 -0.42 0.00 -0.26 0.00 0.00 57.72 58.23 1b2t n HIS 46 Cb 0.70 -3.11 -0.08 0.00 1.12 0.00 0.00 29.99 28.61 1b2t n HIS 46 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 1b2t s ARG 47 N -7.09 2.69 -0.35 -0.41 3.52 -1.18 -4.86 118.95 111.27 1b2t s ARG 47 Ca 0.06 -1.59 -0.09 0.00 -0.13 0.00 0.00 55.73 53.98 1b2t s ARG 47 Cb -0.03 -3.98 0.03 0.00 -1.56 0.00 0.00 34.95 29.40 1b2t s ARG 47 CO 0.96 -1.12 0.15 -0.51 -0.81 0.00 0.00 175.30 173.98 1b2t s LEU 48 N 1.47 4.44 0.22 -0.88 1.43 -1.22 -1.63 118.68 122.50 1b2t s LEU 48 Ca 0.04 -0.98 0.06 0.00 -1.03 0.00 0.00 54.13 52.22 1b2t s LEU 48 Cb -0.26 -1.95 -0.05 0.00 0.03 0.00 0.00 46.19 43.96 1b2t s LEU 48 CO 0.02 -0.33 -0.08 -0.36 0.23 0.00 0.00 176.35 175.83 1b2t s PHE 49 N 1.50 1.64 -0.46 0.29 0.40 -0.86 -4.93 117.98 115.57 1b2t s PHE 49 Ca 0.01 -0.72 -0.14 0.00 -0.60 0.00 0.00 56.93 55.48 1b2t s PHE 49 Cb -0.19 -0.87 0.07 0.00 0.51 0.00 0.00 43.02 42.55 1b2t s PHE 49 CO 0.05 0.19 0.36 0.00 0.70 0.00 0.00 175.22 176.51 1b2t s ALA 51 N 1.59 3.21 0.16 0.00 0.00 -0.13 -3.53 121.76 123.05 1b2t s ALA 51 Ca 0.04 -0.79 -0.31 0.00 0.00 0.00 0.00 51.96 50.90 1b2t s ALA 51 Cb -0.24 -1.65 -0.08 0.00 0.00 0.00 0.00 23.12 21.15 1b2t s ALA 51 CO 0.06 0.31 1.36 -0.51 0.00 0.00 0.00 175.76 176.98 1b2t s ASP 52 N 0.00 6.84 0.64 0.00 1.11 -1.26 -1.14 116.67 122.86 1b2t s ASP 52 Ca 0.03 2.38 0.29 0.00 0.18 0.00 0.00 52.55 55.43 1b2t s ASP 52 Cb -0.13 -2.60 1.60 0.00 1.07 0.00 0.00 42.92 42.87 1b2t s ASP 52 CO 0.02 -0.61 1.90 -0.65 1.18 0.00 0.00 175.17 177.00 1b2t h PRO 53 N 6.14 0.00 -0.09 8.23 0.11 -1.91 0.76 132.00 145.25 1b2t h PRO 53 Ca -0.43 0.00 -0.22 0.00 0.11 0.00 0.00 66.00 65.46 1b2t h PRO 53 Cb 1.21 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.33 1b2t h PRO 53 CO 0.82 0.00 -0.83 0.87 -0.21 0.00 0.00 178.00 178.65 1b2t h LYS 54 N 0.00 0.62 -6.15 1.05 1.57 -1.99 -3.40 116.57 108.27 1b2t h LYS 54 Ca 0.00 -0.55 -0.73 0.00 -1.87 0.00 0.00 60.65 57.51 1b2t h LYS 54 Cb 0.63 0.13 0.01 0.00 0.08 0.00 0.00 32.23 33.08 1b2t h LYS 54 CO 0.00 1.17 0.95 0.39 -0.57 0.00 0.00 179.45 181.38 1b2t n GLU 55 N -3.87 1.26 -0.04 3.15 1.02 0.26 -4.82 120.64 117.59 1b2t n GLU 55 Ca -0.07 0.46 -0.10 0.00 -0.02 0.00 0.00 57.16 57.42 1b2t n GLU 55 Cb 0.77 -2.17 -0.04 0.00 -0.02 0.00 0.00 31.44 29.98 1b2t n GLU 55 CO 0.00 0.00 0.00 0.37 1.18 0.00 0.00 177.13 178.68 1b2t h GLN 56 N 7.60 -0.37 0.00 3.49 -0.00 -1.87 0.25 115.11 124.20 1b2t h GLN 56 Ca -0.46 0.03 0.00 0.00 -0.00 0.00 0.00 58.65 58.22 1b2t h GLN 56 Cb 1.31 0.08 0.00 0.00 0.00 0.00 0.00 27.48 28.88 1b2t h GLN 56 CO 0.96 -0.25 0.42 0.11 0.00 0.00 0.00 178.83 180.07 1b2t h TRP 57 N -0.39 0.00 0.15 3.99 5.08 -1.96 0.16 115.95 122.98 1b2t h TRP 57 Ca 0.11 0.00 -0.36 0.00 1.08 0.00 0.00 58.89 59.72 1b2t h TRP 57 Cb 0.58 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.73 1b2t h TRP 57 CO -0.49 0.00 -1.90 0.28 -1.28 0.00 0.00 178.44 175.05 1b2t h VAL 58 N 0.00 0.75 -0.13 0.12 2.07 -0.85 -2.16 116.25 116.05 1b2t h VAL 58 Ca 0.00 -2.42 -0.00 0.00 0.82 0.00 0.00 66.70 65.10 1b2t h VAL 58 Cb 0.83 2.61 -0.01 0.00 -1.52 0.00 0.00 31.29 33.20 1b2t h VAL 58 CO 0.00 0.88 0.07 0.11 0.02 0.00 0.00 177.57 178.65 1b2t h LYS 59 N 0.09 0.18 -0.05 1.57 1.57 0.08 -0.54 116.57 119.47 1b2t h LYS 59 Ca -0.39 -0.02 -0.09 0.00 -1.87 0.00 0.00 60.65 58.28 1b2t h LYS 59 Cb 2.06 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 34.34 1b2t h LYS 59 CO 0.12 0.21 -0.30 0.22 -0.57 0.00 0.00 179.45 179.13 1b2t h ASP 60 N 0.10 0.35 -0.83 0.86 3.58 -1.54 -2.29 116.42 116.65 1b2t h ASP 60 Ca 0.04 -0.68 0.16 0.00 0.42 0.00 0.00 57.03 56.98 1b2t h ASP 60 Cb 0.09 -0.10 -0.10 0.00 1.72 0.00 0.00 39.33 40.94 1b2t h ASP 60 CO -0.01 0.97 0.39 0.00 -2.88 0.00 0.00 179.24 177.72 1b2t h ALA 61 N 0.39 1.25 0.40 -0.78 0.00 -1.36 -1.23 119.26 117.93 1b2t h ALA 61 Ca -0.02 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1b2t h ALA 61 Cb 0.98 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1b2t h ALA 61 CO 0.06 -0.17 -0.19 0.52 0.00 0.00 0.00 179.25 179.48 1b2t h MET 62 N 0.54 -0.51 -1.26 0.00 2.86 -1.12 -2.37 114.93 113.07 1b2t h MET 62 Ca 0.47 0.04 0.36 0.00 -2.06 0.00 0.00 59.70 58.51 1b2t h MET 62 Cb 0.72 0.12 -0.05 0.00 0.06 0.00 0.00 31.60 32.45 1b2t h MET 62 CO -0.40 -0.20 1.05 0.37 1.06 0.00 0.00 176.91 178.79 1b2t h GLN 63 N -0.95 0.00 0.02 1.72 5.75 -0.90 0.68 115.11 121.43 1b2t h GLN 63 Ca -0.05 0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.44 1b2t h GLN 63 Cb 0.55 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.10 1b2t h GLN 63 CO 0.09 0.00 -0.01 1.25 -2.65 0.00 0.00 178.83 177.51 1b2t h HIS 64 N 0.00 -0.03 0.00 3.99 2.76 -1.01 -2.65 115.15 118.22 1b2t h HIS 64 Ca 0.60 -0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.74 1b2t h HIS 64 Cb 2.70 0.01 -0.00 0.00 1.55 0.00 0.00 27.41 31.66 1b2t h HIS 64 CO 0.00 0.69 -0.11 -0.07 -1.30 0.00 0.00 177.93 177.14 1b2t h LEU 65 N -0.80 0.00 0.23 0.26 3.38 0.68 -2.78 115.31 116.28 1b2t h LEU 65 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1b2t h LEU 65 Cb 0.73 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.48 1b2t h LEU 65 CO 0.00 0.11 -0.11 0.44 0.09 0.00 0.00 178.44 178.97 1b2t h ASP 66 N 0.00 -0.26 -1.06 -0.43 5.19 -0.50 -3.22 116.42 116.14 1b2t h ASP 66 Ca -0.00 0.01 0.31 0.00 -0.62 0.00 0.00 57.03 56.73 1b2t h ASP 66 Cb 0.32 0.07 -0.13 0.00 0.18 0.00 0.00 39.33 39.77 1b2t h ASP 66 CO 0.01 0.04 0.65 -0.09 -3.12 0.00 0.00 179.24 176.73 1b2t h ARG 67 N -0.77 0.35 0.18 3.56 2.43 -1.45 -1.14 114.38 117.54 1b2t h ARG 67 Ca -0.03 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 1b2t h ARG 67 Cb 0.24 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.68 1b2t h ARG 67 CO 0.05 0.23 -0.37 1.96 -1.51 0.00 0.00 179.97 180.33 1b2t h GLN 68 N 0.36 -0.58 0.89 0.20 4.20 -1.56 0.16 115.11 118.77 1b2t h GLN 68 Ca 0.69 0.04 -0.04 0.00 0.06 0.00 0.00 58.65 59.40 1b2t h GLN 68 Cb 1.68 0.13 0.00 0.00 0.30 0.00 0.00 27.48 29.59 1b2t h GLN 68 CO -0.47 -0.39 -0.48 0.00 -0.67 0.00 0.00 178.83 176.83 1b2t h ALA 69 N -0.95 -1.28 -1.34 3.87 0.00 -1.26 -2.38 119.26 115.93 1b2t h ALA 69 Ca -0.02 -0.27 0.39 0.00 0.00 0.00 0.00 54.91 55.01 1b2t h ALA 69 Cb 0.57 0.55 -0.07 0.00 0.00 0.00 0.00 17.79 18.84 1b2t h ALA 69 CO -0.15 -1.23 0.94 0.00 0.00 0.00 0.00 179.25 178.82 1b2t h ALA 70 N -1.20 3.12 0.00 0.00 0.00 -1.25 1.20 119.26 121.13 1b2t h ALA 70 Ca -0.12 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1b2t h ALA 70 Cb 0.98 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1b2t h ALA 70 CO 0.16 -1.54 0.00 0.00 0.00 0.00 0.00 179.25 177.87 1b2t n ALA 71 N -2.74 1.17 -0.03 0.00 0.00 0.55 -3.82 120.51 115.65 1b2t n ALA 71 Ca 0.30 0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.82 1b2t n ALA 71 Cb 1.37 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 19.64 1b2t n ALA 71 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1b2t n LEU 72 N -1.85 0.00 -3.95 0.00 7.99 0.41 -5.09 117.00 114.50 1b2t n LEU 72 Ca 0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 56.01 55.91 1b2t n LEU 72 Cb 0.06 -0.17 -0.09 0.00 -0.11 0.00 0.00 43.42 43.10 1b2t n LEU 72 CO 0.07 -0.49 -0.24 0.28 -1.51 0.00 0.00 177.39 175.50 1b2t s THR 73 N -0.97 0.15 -0.43 -5.08 -1.32 -0.98 -5.04 115.64 101.96 1b2t s THR 73 Ca 0.00 -1.21 0.05 0.00 -1.21 0.00 0.00 61.69 59.32 1b2t s THR 73 Cb 0.00 -0.98 0.67 0.00 -1.51 0.00 0.00 72.50 70.68 1b2t s THR 73 CO 0.00 -0.67 1.89 -2.11 -2.21 0.00 0.00 174.62 171.53 1b2t n ARG 74 N 0.66 2.39 -2.41 7.08 1.85 -1.26 -4.02 116.66 120.95 1b2t n ARG 74 Ca -0.18 -2.97 -0.17 0.00 -1.00 0.00 0.00 57.85 53.53 1b2t n ARG 74 Cb 0.59 -2.17 0.02 0.00 -1.05 0.00 0.00 32.46 29.86 1b2t n ARG 74 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 1b2t n ASN 75 N -1.02 3.60 0.00 2.89 4.13 -1.26 -5.12 115.26 118.48 1b2t n ASN 75 Ca 0.57 -3.20 0.00 0.00 1.68 0.00 0.00 54.58 53.63 1b2t n ASN 75 Cb 1.63 -0.43 0.00 0.00 -1.54 0.00 0.00 39.78 39.44 1b2t n ASN 75 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15