#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 -2.59 -2.99 0.03 7.27 -1.26 -0.45 117.38 117.39 1b2t n GLN 1 Ca 0.00 0.45 -0.16 0.00 0.07 0.00 0.00 57.00 57.36 1b2t n GLN 1 Cb 0.00 -5.05 -0.01 0.00 2.41 0.00 0.00 30.24 27.59 1b2t n GLN 1 CO 0.00 0.00 0.00 0.72 0.07 0.00 0.00 177.06 177.85 1b2t n HIS 2 N -3.33 -1.69 -2.77 3.69 8.25 -1.26 -4.81 115.22 113.30 1b2t n HIS 2 Ca -0.09 0.24 -0.09 0.00 -0.26 0.00 0.00 57.72 57.52 1b2t n HIS 2 Cb 0.57 -2.32 0.05 0.00 1.12 0.00 0.00 29.99 29.41 1b2t n HIS 2 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 1b2t n HIS 3 N -3.43 -3.18 0.00 4.41 -0.00 0.41 -4.97 115.22 108.46 1b2t n HIS 3 Ca -0.04 -1.86 0.00 0.00 -0.00 0.00 0.00 57.72 55.82 1b2t n HIS 3 Cb 0.54 1.48 0.00 0.00 -0.00 0.00 0.00 29.99 32.01 1b2t n HIS 3 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1b2t n GLY 4 N 1.55 0.00 3.45 1.57 0.00 -1.24 -4.99 105.19 105.53 1b2t n GLY 4 Ca 0.09 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.74 1b2t n GLY 4 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1b2t s VAL 5 N 0.00 4.54 0.28 1.61 0.11 -1.26 -4.87 120.40 120.81 1b2t s VAL 5 Ca 0.00 -0.27 0.10 0.00 -2.93 0.00 0.00 61.98 58.89 1b2t s VAL 5 Cb 0.00 -3.23 -0.05 0.00 -1.53 0.00 0.00 36.38 31.58 1b2t s VAL 5 CO 0.00 0.19 -0.07 0.42 -3.33 0.00 0.00 175.10 172.32 1b2t s THR 6 N 1.63 3.05 -0.23 5.04 -4.23 -1.26 -5.05 115.64 114.59 1b2t s THR 6 Ca 0.05 -2.09 0.01 0.00 -1.18 0.00 0.00 61.69 58.49 1b2t s THR 6 Cb -0.16 -2.66 0.03 0.00 1.34 0.00 0.00 72.50 71.05 1b2t s THR 6 CO 0.06 -0.37 0.90 2.29 -0.54 0.00 0.00 174.62 176.96 1b2t n LYS 7 N -0.81 0.08 0.00 3.99 2.85 -1.26 -5.12 118.16 117.89 1b2t n LYS 7 Ca -0.06 -0.45 0.00 0.00 -1.05 0.00 0.00 58.31 56.75 1b2t n LYS 7 Cb 0.60 0.01 0.00 0.00 -0.65 0.00 0.00 35.03 34.98 1b2t n LYS 7 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1b2t n ASN 9 N 0.00 -0.32 -3.87 0.00 0.23 -1.26 -4.19 115.26 105.85 1b2t n ASN 9 Ca 0.00 1.34 -0.19 0.00 -0.53 0.00 0.00 54.58 55.20 1b2t n ASN 9 Cb 0.00 -0.39 -0.16 0.00 -2.08 0.00 0.00 39.78 37.15 1b2t n ASN 9 CO 0.00 0.00 0.00 -0.51 -0.93 0.00 0.00 177.26 175.82 1b2t s ILE 10 N -5.94 0.45 -0.25 1.53 2.07 -1.26 -5.12 121.20 112.68 1b2t s ILE 10 Ca -0.12 -0.07 0.02 0.00 -1.41 0.00 0.00 60.65 59.08 1b2t s ILE 10 Cb 0.20 -0.50 0.06 0.00 0.13 0.00 0.00 42.46 42.35 1b2t s ILE 10 CO 0.60 0.21 -0.08 0.28 -1.91 0.00 0.00 174.94 174.03 1b2t s THR 11 N 0.99 1.87 -0.77 4.00 -1.32 -1.26 -4.62 115.64 114.53 1b2t s THR 11 Ca -0.10 -1.44 -0.11 0.00 -1.21 0.00 0.00 61.69 58.83 1b2t s THR 11 Cb -0.14 -2.05 -0.09 0.00 -1.51 0.00 0.00 72.50 68.71 1b2t s THR 11 CO -0.01 -0.06 1.94 0.00 -2.21 0.00 0.00 174.62 174.29 1b2t h SER 13 N 7.03 0.11 -2.57 0.00 0.02 -1.92 -0.68 113.55 115.54 1b2t h SER 13 Ca 0.42 -0.52 -0.54 0.00 -0.84 0.00 0.00 61.79 60.31 1b2t h SER 13 Cb 0.31 -0.03 -0.14 0.00 0.14 0.00 0.00 62.40 62.68 1b2t h SER 13 CO 1.58 0.61 -0.68 -0.75 -1.14 0.00 0.00 176.83 176.45 1b2t s LYS 14 N -4.12 1.65 0.40 3.45 2.47 -1.26 -4.83 119.74 117.49 1b2t s LYS 14 Ca -0.16 -1.84 -0.07 0.00 -1.56 0.00 0.00 55.97 52.35 1b2t s LYS 14 Cb 0.02 -1.36 -0.05 0.00 -1.46 0.00 0.00 37.83 34.98 1b2t s LYS 14 CO 0.70 0.08 0.72 -1.64 0.16 0.00 0.00 175.35 175.37 1b2t s MET 15 N -3.68 3.66 0.17 4.03 -1.94 -1.26 -4.79 119.30 115.49 1b2t s MET 15 Ca 0.30 0.24 0.02 0.00 -1.71 0.00 0.00 55.69 54.55 1b2t s MET 15 Cb 0.03 -2.45 0.02 0.00 2.01 0.00 0.00 34.83 34.44 1b2t s MET 15 CO 0.14 -0.03 0.18 -2.37 -0.01 0.00 0.00 175.02 172.93 1b2t n THR 16 N -1.55 0.00 -3.98 2.05 5.66 -1.24 -5.07 114.28 110.15 1b2t n THR 16 Ca 0.01 -0.61 -0.21 0.00 -3.05 0.00 0.00 64.05 60.18 1b2t n THR 16 Cb 0.54 -0.63 -0.04 0.00 -1.55 0.00 0.00 70.33 68.66 1b2t n THR 16 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 1b2t s SER 17 N -2.02 5.59 0.21 1.09 0.01 -1.26 -5.02 113.70 112.31 1b2t s SER 17 Ca 0.14 -0.27 -0.31 0.00 1.31 0.00 0.00 55.95 56.82 1b2t s SER 17 Cb -0.01 -1.34 -0.15 0.00 0.21 0.00 0.00 66.02 64.73 1b2t s SER 17 CO 0.09 -0.15 1.18 1.17 0.41 0.00 0.00 173.24 175.94 1b2t n LYS 18 N -1.29 1.38 -4.36 12.44 4.81 -1.26 -4.99 118.16 124.89 1b2t n LYS 18 Ca -0.06 0.49 -0.22 0.00 -0.87 0.00 0.00 58.31 57.65 1b2t n LYS 18 Cb 0.58 -1.99 -0.16 0.00 0.02 0.00 0.00 35.03 33.48 1b2t n LYS 18 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 1b2t s ILE 19 N -0.36 0.81 -0.24 3.15 1.01 -1.26 -5.10 121.20 119.21 1b2t s ILE 19 Ca 0.69 -0.29 -0.40 0.00 0.00 0.00 0.00 60.65 60.65 1b2t s ILE 19 Cb -0.78 -0.77 -0.16 0.00 0.01 0.00 0.00 42.46 40.76 1b2t s ILE 19 CO 0.53 0.28 1.67 -2.65 0.00 0.00 0.00 174.94 174.78 1b2t n PRO 20 N 3.89 1.08 0.29 2.79 -0.02 -1.26 -4.81 135.00 136.96 1b2t n PRO 20 Ca -0.24 0.40 0.17 0.00 -2.02 0.00 0.00 63.50 61.80 1b2t n PRO 20 Cb 0.51 -2.06 0.95 0.00 -0.02 0.00 0.00 33.50 32.88 1b2t n PRO 20 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 1b2t h VAL 21 N 4.93 0.42 0.00 -1.45 3.04 -1.95 0.20 116.25 121.45 1b2t h VAL 21 Ca -0.47 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.22 1b2t h VAL 21 Cb 1.32 0.97 0.00 0.00 -2.01 0.00 0.00 31.29 31.57 1b2t h VAL 21 CO 0.93 0.00 0.00 0.00 -1.01 0.00 0.00 177.57 177.49 1b2t n ALA 22 N -2.28 1.59 0.10 3.17 0.00 -1.26 -1.63 120.51 120.20 1b2t n ALA 22 Ca -0.02 -0.05 0.08 0.00 0.00 0.00 0.00 53.44 53.46 1b2t n ALA 22 Cb 0.13 -1.17 -0.13 0.00 0.00 0.00 0.00 19.45 18.27 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 -1.37 0.10 -4.69 0.00 4.77 0.06 -4.94 117.00 110.92 1b2t n LEU 23 Ca 0.04 -0.07 -0.42 0.00 -0.03 0.00 0.00 56.01 55.53 1b2t n LEU 23 Cb 0.10 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.17 1b2t n LEU 23 CO 0.09 0.03 0.82 -0.76 -1.33 0.00 0.00 177.39 176.24 1b2t s LEU 24 N -3.99 4.29 -0.08 2.23 1.43 -0.65 -1.48 118.68 120.43 1b2t s LEU 24 Ca -0.05 1.67 0.08 0.00 -1.03 0.00 0.00 54.13 54.80 1b2t s LEU 24 Cb 0.11 -3.56 -0.10 0.00 0.03 0.00 0.00 46.19 42.66 1b2t s LEU 24 CO 0.70 -0.45 0.03 2.30 0.23 0.00 0.00 176.35 179.16 1b2t n ILE 25 N 4.40 0.58 -3.79 -0.59 -5.35 0.13 -4.89 119.36 109.85 1b2t n ILE 25 Ca 0.09 -0.36 -0.13 0.00 -0.27 0.00 0.00 62.75 62.08 1b2t n ILE 25 Cb 0.48 -0.77 -0.11 0.00 -1.74 0.00 0.00 39.64 37.50 1b2t n ILE 25 CO 0.00 0.00 0.00 -2.28 -1.76 0.00 0.00 176.55 172.51 1b2t s HIS 26 N -2.21 -0.26 -0.19 4.28 2.46 -0.94 -4.77 115.29 113.67 1b2t s HIS 26 Ca -0.04 0.62 0.01 0.00 0.47 0.00 0.00 55.06 56.12 1b2t s HIS 26 Cb 0.03 0.09 0.04 0.00 -0.13 0.00 0.00 32.58 32.60 1b2t s HIS 26 CO 0.35 -0.17 -0.14 1.52 -2.47 0.00 0.00 174.74 173.83 1b2t s TYR 27 N -0.07 2.63 0.17 3.88 -0.85 -1.26 -0.07 117.35 121.78 1b2t s TYR 27 Ca -0.02 -1.67 0.02 0.00 -0.52 0.00 0.00 57.07 54.88 1b2t s TYR 27 Cb -0.02 -1.77 0.02 0.00 0.38 0.00 0.00 41.96 40.57 1b2t s TYR 27 CO 0.01 -0.77 0.13 1.04 -1.52 0.00 0.00 175.55 174.44 1b2t n GLN 28 N 4.64 1.22 -4.83 -3.49 3.00 0.17 -4.91 117.38 113.17 1b2t n GLN 28 Ca -0.17 -1.05 -0.25 0.00 -0.01 0.00 0.00 57.00 55.52 1b2t n GLN 28 Cb 0.47 0.10 -0.15 0.00 0.00 0.00 0.00 30.24 30.66 1b2t n GLN 28 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.06 175.92 1b2t s GLN 29 N -2.70 1.45 0.77 -1.09 0.74 -1.26 -0.04 119.66 117.53 1b2t s GLN 29 Ca 0.10 -0.70 -0.13 0.00 0.05 0.00 0.00 55.36 54.68 1b2t s GLN 29 Cb -0.01 -1.43 0.06 0.00 1.10 0.00 0.00 33.01 32.74 1b2t s GLN 29 CO 0.06 0.39 1.18 1.21 -0.55 0.00 0.00 175.29 177.58 1b2t s ASN 30 N -0.56 3.97 0.06 6.67 2.47 -1.00 -4.79 114.94 121.76 1b2t s ASN 30 Ca 0.07 2.26 -0.12 0.00 0.42 0.00 0.00 52.86 55.48 1b2t s ASN 30 Cb -0.07 -2.58 -0.06 0.00 -1.45 0.00 0.00 41.25 37.09 1b2t s ASN 30 CO -0.00 -2.41 0.43 -1.10 -3.72 0.00 0.00 177.10 170.30 1b2t s GLN 31 N -4.17 3.86 -1.19 0.43 -0.21 -1.26 -4.90 119.66 112.22 1b2t s GLN 31 Ca 0.71 0.32 -0.07 0.00 0.02 0.00 0.00 55.36 56.33 1b2t s GLN 31 Cb -0.26 -3.07 -0.07 0.00 1.00 0.00 0.00 33.01 30.62 1b2t s GLN 31 CO 0.49 0.59 2.43 0.00 -2.12 0.00 0.00 175.29 176.69 1b2t n ALA 32 N 1.21 5.80 0.00 6.09 0.00 -1.26 -3.15 120.51 129.20 1b2t n ALA 32 Ca -0.10 -2.60 0.00 0.00 0.00 0.00 0.00 53.44 50.75 1b2t n ALA 32 Cb 0.52 -3.15 0.00 0.00 0.00 0.00 0.00 19.45 16.82 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 4.01 0.00 0.00 0.00 3.41 -1.26 -5.09 113.62 114.68 1b2t n SER 33 Ca 0.58 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 59.19 1b2t n SER 33 Cb 0.17 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.12 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 1.25 1.88 3.88 0.00 0.00 -1.26 -4.89 105.19 106.05 1b2t n GLY 35 Ca 0.00 -0.05 -0.36 0.00 0.00 0.00 0.00 46.02 45.61 1b2t n GLY 35 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1b2t s LYS 36 N 2.65 3.52 -0.80 1.61 -0.14 -0.26 -4.84 119.74 121.47 1b2t s LYS 36 Ca 0.00 -0.07 -0.26 0.00 -1.36 0.00 0.00 55.97 54.28 1b2t s LYS 36 Cb 0.00 -3.17 -0.13 0.00 -1.68 0.00 0.00 37.83 32.86 1b2t s LYS 36 CO 0.00 0.74 2.36 -0.98 -0.76 0.00 0.00 175.35 176.70 1b2t s ARG 37 N -1.26 1.70 0.00 1.68 1.70 -1.26 -4.43 118.95 117.09 1b2t s ARG 37 Ca 0.20 0.40 0.00 0.00 -0.47 0.00 0.00 55.73 55.85 1b2t s ARG 37 Cb -0.13 -4.82 0.00 0.00 -0.57 0.00 0.00 34.95 29.43 1b2t s ARG 37 CO 0.09 -4.34 0.00 0.00 -1.08 0.00 0.00 175.30 169.97 1b2t n ALA 38 N 18.16 0.00 -2.57 7.88 0.00 -1.26 -4.91 120.51 137.80 1b2t n ALA 38 Ca 0.46 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.63 1b2t n ALA 38 Cb 0.44 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.79 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 -0.31 3.24 -0.22 0.00 -1.09 0.51 -2.38 121.20 120.96 1b2t s ILE 39 Ca 0.00 -1.57 -0.07 0.00 -2.23 0.00 0.00 60.65 56.78 1b2t s ILE 39 Cb 0.00 -2.59 -0.04 0.00 -1.58 0.00 0.00 42.46 38.26 1b2t s ILE 39 CO 0.00 -0.06 0.07 -0.63 -1.23 0.00 0.00 174.94 173.08 1b2t s ILE 40 N -1.60 4.57 -0.25 2.92 -1.09 0.94 -0.86 121.20 125.82 1b2t s ILE 40 Ca 0.24 -0.10 -0.03 0.00 -2.23 0.00 0.00 60.65 58.53 1b2t s ILE 40 Cb -0.09 -3.10 0.02 0.00 -1.58 0.00 0.00 42.46 37.71 1b2t s ILE 40 CO 0.15 0.40 -0.03 -0.76 -1.23 0.00 0.00 174.94 173.47 1b2t s LEU 41 N 0.99 3.28 -0.17 2.97 1.43 -0.42 0.42 118.68 127.18 1b2t s LEU 41 Ca 0.04 -0.77 -0.05 0.00 -1.03 0.00 0.00 54.13 52.31 1b2t s LEU 41 Cb -0.14 -1.72 -0.03 0.00 0.03 0.00 0.00 46.19 44.33 1b2t s LEU 41 CO 0.03 -0.13 0.01 -0.70 0.23 0.00 0.00 176.35 175.79 1b2t s GLU 42 N 1.38 3.79 0.37 1.70 2.12 0.90 -1.95 118.70 127.02 1b2t s GLU 42 Ca 0.01 -0.45 0.07 0.00 0.36 0.00 0.00 54.97 54.97 1b2t s GLU 42 Cb -0.16 -3.06 -0.02 0.00 0.26 0.00 0.00 34.13 31.15 1b2t s GLU 42 CO -0.03 0.23 0.38 0.95 -0.54 0.00 0.00 175.26 176.25 1b2t s THR 43 N 0.44 3.34 -0.88 -1.70 -4.23 -0.49 0.19 115.64 112.31 1b2t s THR 43 Ca -0.01 -1.26 0.08 0.00 -1.18 0.00 0.00 61.69 59.32 1b2t s THR 43 Cb -0.13 -3.16 0.07 0.00 1.34 0.00 0.00 72.50 70.62 1b2t s THR 43 CO 0.02 -0.11 1.24 0.54 -0.54 0.00 0.00 174.62 175.77 1b2t n ARG 44 N -1.52 0.03 -0.77 3.99 3.00 -0.55 -1.04 116.66 119.81 1b2t n ARG 44 Ca 0.01 0.44 0.04 0.00 -0.01 0.00 0.00 57.85 58.33 1b2t n ARG 44 Cb 0.60 -1.57 0.32 0.00 0.00 0.00 0.00 32.46 31.81 1b2t n ARG 44 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.63 178.67 1b2t n GLN 45 N -1.62 3.76 -3.30 5.56 6.02 -1.26 -4.93 117.38 121.61 1b2t n GLN 45 Ca 0.01 -3.04 -0.17 0.00 -0.01 0.00 0.00 57.00 53.79 1b2t n GLN 45 Cb 0.06 -2.09 0.07 0.00 1.02 0.00 0.00 30.24 29.31 1b2t n GLN 45 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 1b2t n HIS 46 N -0.06 -2.10 -3.58 1.08 8.25 -0.20 -4.98 115.22 113.62 1b2t n HIS 46 Ca 0.29 0.82 -0.41 0.00 -0.26 0.00 0.00 57.72 58.17 1b2t n HIS 46 Cb 1.13 -4.53 -0.10 0.00 1.12 0.00 0.00 29.99 27.60 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 -5.55 2.76 -0.36 -0.41 3.52 -1.23 -4.87 118.95 112.81 1b2t s ARG 47 Ca 0.20 -1.23 -0.06 0.00 -0.13 0.00 0.00 55.73 54.52 1b2t s ARG 47 Cb -0.09 -3.78 0.06 0.00 -1.56 0.00 0.00 34.95 29.59 1b2t s ARG 47 CO 0.62 -0.81 0.14 -0.51 -0.81 0.00 0.00 175.30 173.93 1b2t s LEU 48 N 1.52 4.62 0.07 -0.88 1.43 -1.23 -1.39 118.68 122.82 1b2t s LEU 48 Ca 0.02 -1.40 0.08 0.00 -1.03 0.00 0.00 54.13 51.80 1b2t s LEU 48 Cb -0.21 -1.87 -0.03 0.00 0.03 0.00 0.00 46.19 44.12 1b2t s LEU 48 CO 0.05 -0.40 -0.22 -0.36 0.23 0.00 0.00 176.35 175.65 1b2t s PHE 49 N 1.34 1.91 -0.41 0.29 0.40 -0.82 -4.91 117.98 115.77 1b2t s PHE 49 Ca 0.01 -0.39 -0.21 0.00 -0.60 0.00 0.00 56.93 55.73 1b2t s PHE 49 Cb -0.21 -1.09 0.02 0.00 0.51 0.00 0.00 43.02 42.24 1b2t s PHE 49 CO 0.01 0.16 0.67 0.00 0.70 0.00 0.00 175.22 176.76 1b2t s ALA 51 N 2.87 2.93 -0.14 0.00 0.00 -0.04 -3.72 121.76 123.66 1b2t s ALA 51 Ca 0.25 -1.03 -0.25 0.00 0.00 0.00 0.00 51.96 50.92 1b2t s ALA 51 Cb -0.14 -1.07 -0.02 0.00 0.00 0.00 0.00 23.12 21.89 1b2t s ALA 51 CO 0.18 0.60 0.82 -0.51 0.00 0.00 0.00 175.76 176.85 1b2t s ASP 52 N -1.33 6.99 0.65 0.00 1.11 -1.26 -0.36 116.67 122.48 1b2t s ASP 52 Ca 0.16 1.21 0.23 0.00 0.18 0.00 0.00 52.55 54.33 1b2t s ASP 52 Cb -0.11 -2.46 1.20 0.00 1.07 0.00 0.00 42.92 42.63 1b2t s ASP 52 CO 0.06 -0.34 1.68 -0.65 1.18 0.00 0.00 175.17 177.10 1b2t h PRO 53 N 7.19 0.00 -0.26 8.23 0.11 -1.94 0.22 132.00 145.55 1b2t h PRO 53 Ca -0.32 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.76 1b2t h PRO 53 Cb 1.15 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 1b2t h PRO 53 CO 0.82 0.00 0.04 1.57 -0.21 0.00 0.00 178.00 180.22 1b2t h LYS 54 N 0.00 0.38 -6.65 1.05 2.10 -1.99 -3.39 116.57 108.07 1b2t h LYS 54 Ca 0.04 -0.06 -0.52 0.00 -2.00 0.00 0.00 60.65 58.11 1b2t h LYS 54 Cb 1.12 -0.07 0.02 0.00 -0.90 0.00 0.00 32.23 32.41 1b2t h LYS 54 CO -0.00 0.38 0.61 -1.21 -2.00 0.00 0.00 179.45 177.22 1b2t s GLU 55 N -5.07 4.43 0.09 0.07 2.02 0.77 -4.95 118.70 116.07 1b2t s GLU 55 Ca -0.07 1.96 -0.25 0.00 0.02 0.00 0.00 54.97 56.63 1b2t s GLU 55 Cb 0.16 -3.23 -0.14 0.00 0.10 0.00 0.00 34.13 31.03 1b2t s GLU 55 CO 0.73 -0.19 1.71 0.37 0.02 0.00 0.00 175.26 177.90 1b2t h GLN 56 N 5.46 -0.21 -0.19 1.61 -0.00 -1.87 -1.48 115.11 118.42 1b2t h GLN 56 Ca -0.44 0.01 0.06 0.00 -0.00 0.00 0.00 58.65 58.28 1b2t h GLN 56 Cb 1.21 0.05 -0.01 0.00 0.00 0.00 0.00 27.48 28.73 1b2t h GLN 56 CO 0.77 -0.14 0.60 0.11 0.00 0.00 0.00 178.83 180.16 1b2t h TRP 57 N -0.22 0.00 0.08 3.99 5.08 -1.95 0.25 115.95 123.18 1b2t h TRP 57 Ca -0.01 0.00 -0.29 0.00 1.08 0.00 0.00 58.89 59.68 1b2t h TRP 57 Cb 0.20 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 26.34 1b2t h TRP 57 CO -0.10 0.00 -1.53 0.28 -1.28 0.00 0.00 178.44 175.82 1b2t h VAL 58 N 0.00 0.88 -0.58 0.12 2.07 -1.60 -2.09 116.25 115.06 1b2t h VAL 58 Ca 0.09 -2.32 -0.07 0.00 0.82 0.00 0.00 66.70 65.23 1b2t h VAL 58 Cb 1.29 2.51 -0.02 0.00 -1.52 0.00 0.00 31.29 33.55 1b2t h VAL 58 CO -0.00 0.65 0.09 0.11 0.02 0.00 0.00 177.57 178.44 1b2t h LYS 59 N -0.40 0.95 -0.03 1.57 1.57 -0.10 -1.41 116.57 118.73 1b2t h LYS 59 Ca -0.35 -0.26 -0.13 0.00 -1.87 0.00 0.00 60.65 58.05 1b2t h LYS 59 Cb 1.70 -0.11 0.01 0.00 0.08 0.00 0.00 32.23 33.91 1b2t h LYS 59 CO -0.01 0.91 -0.47 0.22 -0.57 0.00 0.00 179.45 179.52 1b2t h ASP 60 N 0.85 0.46 -0.50 0.86 3.58 -0.84 -1.94 116.42 118.90 1b2t h ASP 60 Ca 0.18 -0.73 0.10 0.00 0.42 0.00 0.00 57.03 57.00 1b2t h ASP 60 Cb 0.42 -0.14 -0.08 0.00 1.72 0.00 0.00 39.33 41.24 1b2t h ASP 60 CO 0.01 1.13 -0.02 0.00 -2.88 0.00 0.00 179.24 177.47 1b2t h ALA 61 N 0.35 0.45 0.23 -0.78 0.00 -1.31 -1.18 119.26 117.02 1b2t h ALA 61 Ca -0.05 0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1b2t h ALA 61 Cb 1.17 0.28 0.00 0.00 0.00 0.00 0.00 17.79 19.24 1b2t h ALA 61 CO 0.09 -0.40 -0.11 0.52 0.00 0.00 0.00 179.25 179.35 1b2t h MET 62 N 0.09 -0.30 -1.30 0.00 2.86 -1.32 -2.51 114.93 112.46 1b2t h MET 62 Ca 0.25 0.02 0.38 0.00 -2.06 0.00 0.00 59.70 58.29 1b2t h MET 62 Cb 0.38 0.07 -0.05 0.00 0.06 0.00 0.00 31.60 32.06 1b2t h MET 62 CO -0.44 0.01 1.06 0.37 1.06 0.00 0.00 176.91 178.98 1b2t h GLN 63 N -0.64 0.00 0.21 1.72 4.15 -0.88 0.43 115.11 120.10 1b2t h GLN 63 Ca -0.03 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.38 1b2t h GLN 63 Cb 0.46 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.15 1b2t h GLN 63 CO 0.05 0.00 -0.10 1.25 -1.93 0.00 0.00 178.83 178.10 1b2t h HIS 64 N 0.00 -0.27 -0.01 3.99 2.76 -0.86 -3.26 115.15 117.50 1b2t h HIS 64 Ca 0.62 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.78 1b2t h HIS 64 Cb 2.73 0.09 -0.00 0.00 1.55 0.00 0.00 27.41 31.78 1b2t h HIS 64 CO 0.00 -0.10 0.06 -0.07 -1.30 0.00 0.00 177.93 176.52 1b2t h LEU 65 N -1.06 0.00 -2.02 0.26 3.38 -0.29 -1.52 115.31 114.07 1b2t h LEU 65 Ca -0.03 0.00 0.13 0.00 0.09 0.00 0.00 57.88 58.07 1b2t h LEU 65 Cb 0.29 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 1b2t h LEU 65 CO 0.05 0.00 0.34 0.44 0.09 0.00 0.00 178.44 179.36 1b2t h ASP 66 N 0.00 0.00 -0.56 -0.43 5.19 -0.35 2.12 116.42 122.39 1b2t h ASP 66 Ca 0.01 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.42 1b2t h ASP 66 Cb 0.13 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.64 1b2t h ASP 66 CO -0.00 0.00 0.00 0.54 -3.12 0.00 0.00 179.24 176.66 1b2t n ARG 67 N -4.31 2.72 0.00 3.56 3.00 -0.57 -4.49 116.66 116.57 1b2t n ARG 67 Ca 0.08 -2.40 0.00 0.00 -0.01 0.00 0.00 57.85 55.52 1b2t n ARG 67 Cb 0.55 -1.45 0.00 0.00 0.00 0.00 0.00 32.46 31.55 1b2t n ARG 67 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.63 178.67 1b2t n GLN 68 N 1.23 0.00 0.16 5.56 3.00 0.11 -4.71 117.38 122.72 1b2t n GLN 68 Ca 0.19 0.00 0.19 0.00 -0.01 0.00 0.00 57.00 57.37 1b2t n GLN 68 Cb 0.55 -0.85 0.76 0.00 0.00 0.00 0.00 30.24 30.69 1b2t n GLN 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1b2t h ALA 69 N 0.00 1.91 0.29 -1.58 0.00 0.30 -1.73 119.26 118.45 1b2t h ALA 69 Ca 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1b2t h ALA 69 Cb 0.75 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 1b2t h ALA 69 CO 0.00 -0.58 -0.25 0.00 0.00 0.00 0.00 179.25 178.43 1b2t h ALA 70 N 1.44 -0.54 -0.17 0.00 0.00 -1.79 -1.76 119.26 116.43 1b2t h ALA 70 Ca 0.14 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1b2t h ALA 70 Cb 0.98 0.34 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1b2t h ALA 70 CO -0.00 -0.83 0.00 0.00 0.00 0.00 0.00 179.25 178.42 1b2t n ALA 71 N -2.49 2.70 -0.38 0.00 0.00 -0.67 -4.94 120.51 114.72 1b2t n ALA 71 Ca -0.09 -0.44 0.00 0.00 0.00 0.00 0.00 53.44 52.91 1b2t n ALA 71 Cb 0.28 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.72 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 0.13 0.00 0.00 0.00 7.99 -0.66 -3.43 117.00 121.02 1b2t n LEU 72 Ca 0.07 0.00 -0.17 0.00 -0.01 0.00 0.00 56.01 55.90 1b2t n LEU 72 Cb 0.36 0.00 -0.12 0.00 -0.11 0.00 0.00 43.42 43.55 1b2t n LEU 72 CO 0.07 0.00 0.26 0.00 -1.51 0.00 0.00 177.39 176.21 1b2t h THR 73 N 0.00 1.48 0.00 -5.08 1.03 -1.88 -3.40 112.91 105.06 1b2t h THR 73 Ca 0.00 -2.12 0.00 0.00 -0.01 0.00 0.00 66.41 64.28 1b2t h THR 73 Cb 0.00 2.74 0.00 0.00 -1.07 0.00 0.00 68.15 69.82 1b2t h THR 73 CO 0.00 0.60 0.00 0.54 -0.01 0.00 0.00 175.52 176.65 1b2t n ARG 74 N -4.28 0.00 -3.74 0.00 1.74 -1.22 -4.91 116.66 104.25 1b2t n ARG 74 Ca -0.11 0.00 -0.38 0.00 -0.77 0.00 0.00 57.85 56.59 1b2t n ARG 74 Cb 0.65 0.00 -0.12 0.00 -1.02 0.00 0.00 32.46 31.97 1b2t n ARG 74 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 1b2t s ASN 75 N -4.00 5.35 0.00 0.55 0.02 -1.26 -4.33 114.94 111.27 1b2t s ASN 75 Ca 0.00 -1.15 0.00 0.00 -1.02 0.00 0.00 52.86 50.69 1b2t s ASN 75 Cb 0.00 -1.88 0.00 0.00 0.02 0.00 0.00 41.25 39.39 1b2t s ASN 75 CO 0.00 -0.34 0.00 0.61 0.02 0.00 0.00 177.10 177.39