#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b2t s GLN 1 N 0.00 0.73 1.53 0.03 -2.07 -1.26 -5.02 119.66 113.60 1b2t s GLN 1 Ca 0.00 -0.45 0.00 0.00 -1.82 0.00 0.00 55.36 53.09 1b2t s GLN 1 Cb 0.00 0.22 0.00 0.00 -1.09 0.00 0.00 33.01 32.14 1b2t s GLN 1 CO 0.00 -0.34 0.00 0.72 -1.32 0.00 0.00 175.29 174.35 1b2t n HIS 2 N -0.67 0.00 -3.74 9.60 8.25 -1.26 -4.41 115.22 122.99 1b2t n HIS 2 Ca -0.03 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.29 1b2t n HIS 2 Cb 0.60 0.00 -0.14 0.00 1.12 0.00 0.00 29.99 31.57 1b2t n HIS 2 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 1b2t s HIS 3 N 0.00 -0.18 0.00 4.41 2.46 -1.26 -5.00 115.29 115.71 1b2t s HIS 3 Ca 0.00 0.53 0.00 0.00 0.47 0.00 0.00 55.06 56.06 1b2t s HIS 3 Cb 0.00 -0.09 0.00 0.00 -0.13 0.00 0.00 32.58 32.36 1b2t s HIS 3 CO 0.00 -0.19 0.00 0.41 -2.47 0.00 0.00 174.74 172.49 1b2t n GLY 4 N 4.35 0.71 2.43 1.59 0.00 -1.26 -5.01 105.19 108.00 1b2t n GLY 4 Ca -0.24 -0.66 -0.24 0.00 0.00 0.00 0.00 46.02 44.88 1b2t n GLY 4 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1b2t n VAL 5 N -0.01 2.24 -3.80 1.61 0.24 -1.26 -4.51 118.33 112.84 1b2t n VAL 5 Ca 0.00 -4.59 -0.29 0.00 -2.04 0.00 0.00 64.34 57.42 1b2t n VAL 5 Cb 0.00 -1.00 -0.16 0.00 -1.47 0.00 0.00 33.84 31.22 1b2t n VAL 5 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 1b2t s THR 6 N -5.11 0.97 -0.34 3.34 -4.23 -1.26 -4.99 115.64 104.03 1b2t s THR 6 Ca 0.46 -1.11 0.14 0.00 -1.18 0.00 0.00 61.69 60.00 1b2t s THR 6 Cb 0.41 -1.52 0.46 0.00 1.34 0.00 0.00 72.50 73.18 1b2t s THR 6 CO -0.13 -0.37 1.06 0.29 -0.54 0.00 0.00 174.62 174.94 1b2t n LYS 7 N 4.85 2.28 -3.48 3.99 4.01 -1.26 -4.94 118.16 123.61 1b2t n LYS 7 Ca -0.07 -3.80 -0.27 0.00 -0.51 0.00 0.00 58.31 53.67 1b2t n LYS 7 Cb 0.44 -1.76 -0.09 0.00 -0.51 0.00 0.00 35.03 33.12 1b2t n LYS 7 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1b2t n ASN 9 N 1.03 0.10 -3.77 0.00 6.94 -1.26 -3.71 115.26 114.59 1b2t n ASN 9 Ca 0.28 1.03 -0.24 0.00 -0.02 0.00 0.00 54.58 55.63 1b2t n ASN 9 Cb 0.41 -0.51 -0.17 0.00 -2.36 0.00 0.00 39.78 37.14 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 -4.81 0.43 -0.12 1.53 2.07 -1.26 -5.13 121.20 113.91 1b2t s ILE 10 Ca -0.05 0.00 -0.04 0.00 -1.41 0.00 0.00 60.65 59.15 1b2t s ILE 10 Cb 0.25 -0.63 -0.04 0.00 0.13 0.00 0.00 42.46 42.17 1b2t s ILE 10 CO 0.72 0.20 0.04 0.28 -1.91 0.00 0.00 174.94 174.27 1b2t s THR 11 N 1.94 4.59 -1.26 4.00 -1.32 -1.24 -4.88 115.64 117.48 1b2t s THR 11 Ca 0.04 -0.13 -0.09 0.00 -1.21 0.00 0.00 61.69 60.30 1b2t s THR 11 Cb -0.13 -2.98 0.18 0.00 -1.51 0.00 0.00 72.50 68.06 1b2t s THR 11 CO -0.06 0.56 1.81 0.00 -2.21 0.00 0.00 174.62 174.73 1b2t h SER 13 N 5.79 0.94 -4.48 0.00 0.02 -1.92 -1.72 113.55 112.18 1b2t h SER 13 Ca 0.37 -0.41 -0.53 0.00 -0.84 0.00 0.00 61.79 60.38 1b2t h SER 13 Cb 0.64 -0.26 -0.13 0.00 0.14 0.00 0.00 62.40 62.79 1b2t h SER 13 CO 1.58 1.19 -0.49 -0.75 -1.14 0.00 0.00 176.83 177.22 1b2t s LYS 14 N -4.43 1.88 -0.01 3.45 2.47 -1.26 -4.88 119.74 116.95 1b2t s LYS 14 Ca -0.10 -2.13 0.08 0.00 -1.56 0.00 0.00 55.97 52.26 1b2t s LYS 14 Cb 0.12 -0.14 -0.02 0.00 -1.46 0.00 0.00 37.83 36.33 1b2t s LYS 14 CO 0.87 -0.59 -0.25 -1.64 0.16 0.00 0.00 175.35 173.90 1b2t s MET 15 N -3.55 2.10 0.00 4.03 -1.94 -1.26 -4.61 119.30 114.07 1b2t s MET 15 Ca 0.31 -0.93 0.00 0.00 -1.71 0.00 0.00 55.69 53.36 1b2t s MET 15 Cb 0.02 -2.06 0.00 0.00 2.01 0.00 0.00 34.83 34.80 1b2t s MET 15 CO 0.21 0.56 0.00 -2.37 -0.01 0.00 0.00 175.02 173.41 1b2t n THR 16 N 2.34 0.00 -3.31 2.05 5.66 -1.21 -5.04 114.28 114.78 1b2t n THR 16 Ca -0.16 0.00 -0.07 0.00 -3.05 0.00 0.00 64.05 60.77 1b2t n THR 16 Cb 0.51 -1.64 0.01 0.00 -1.55 0.00 0.00 70.33 67.66 1b2t n THR 16 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 1b2t n SER 17 N -2.76 1.06 -4.76 1.09 7.64 -1.26 -4.97 113.62 109.65 1b2t n SER 17 Ca 0.00 -1.50 -0.40 0.00 1.01 0.00 0.00 58.87 57.98 1b2t n SER 17 Cb 0.00 -0.07 -0.04 0.00 -1.01 0.00 0.00 64.21 63.09 1b2t n SER 17 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 1b2t s LYS 18 N -2.71 4.58 0.00 1.43 2.20 -1.26 -5.05 119.74 118.92 1b2t s LYS 18 Ca 0.13 1.76 0.01 0.00 -0.36 0.00 0.00 55.97 57.51 1b2t s LYS 18 Cb -0.01 -3.10 -0.01 0.00 -1.51 0.00 0.00 37.83 33.20 1b2t s LYS 18 CO 0.09 0.17 -0.02 0.42 -0.36 0.00 0.00 175.35 175.64 1b2t s ILE 19 N -1.23 0.15 -0.21 5.43 1.01 -1.26 -5.11 121.20 119.99 1b2t s ILE 19 Ca 0.46 -0.26 -0.35 0.00 0.00 0.00 0.00 60.65 60.51 1b2t s ILE 19 Cb -0.31 -0.17 -0.11 0.00 0.01 0.00 0.00 42.46 41.88 1b2t s ILE 19 CO 0.39 -0.07 1.99 -2.65 0.00 0.00 0.00 174.94 174.61 1b2t n PRO 20 N 2.73 1.70 0.29 2.79 -0.02 -1.26 -4.81 135.00 136.43 1b2t n PRO 20 Ca -0.15 0.57 0.17 0.00 -2.02 0.00 0.00 63.50 62.08 1b2t n PRO 20 Cb 0.58 -2.59 0.87 0.00 -0.02 0.00 0.00 33.50 32.35 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 6.10 0.09 0.00 -1.45 3.04 -1.97 0.33 116.25 122.40 1b2t h VAL 21 Ca -0.41 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.28 1b2t h VAL 21 Cb 1.29 0.73 0.00 0.00 -2.01 0.00 0.00 31.29 31.30 1b2t h VAL 21 CO 0.97 0.00 0.00 0.00 -1.01 0.00 0.00 177.57 177.53 1b2t n ALA 22 N -2.02 1.67 0.76 3.17 0.00 -1.26 -1.60 120.51 121.24 1b2t n ALA 22 Ca -0.01 -0.05 0.08 0.00 0.00 0.00 0.00 53.44 53.47 1b2t n ALA 22 Cb 0.36 -1.21 -0.01 0.00 0.00 0.00 0.00 19.45 18.59 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 -1.41 1.62 -4.79 0.00 4.77 0.12 -4.97 117.00 112.33 1b2t n LEU 23 Ca 0.04 -0.74 -0.38 0.00 -0.03 0.00 0.00 56.01 54.90 1b2t n LEU 23 Cb 0.13 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.16 1b2t n LEU 23 CO 0.11 0.31 0.44 -0.76 -1.33 0.00 0.00 177.39 176.16 1b2t s LEU 24 N -2.17 4.49 -0.03 2.23 1.43 -0.63 -0.99 118.68 123.01 1b2t s LEU 24 Ca 0.13 1.52 0.03 0.00 -1.03 0.00 0.00 54.13 54.78 1b2t s LEU 24 Cb 0.14 -3.37 -0.04 0.00 0.03 0.00 0.00 46.19 42.95 1b2t s LEU 24 CO 0.45 0.15 0.01 2.30 0.23 0.00 0.00 176.35 179.50 1b2t n ILE 25 N 1.26 0.21 -3.46 -0.59 -5.35 0.16 -4.77 119.36 106.82 1b2t n ILE 25 Ca -0.05 -0.13 -0.13 0.00 -0.27 0.00 0.00 62.75 62.17 1b2t n ILE 25 Cb 0.50 -0.84 -0.03 0.00 -1.74 0.00 0.00 39.64 37.52 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 -2.09 -0.53 -0.03 4.28 3.76 -0.93 -5.03 115.29 114.72 1b2t s HIS 26 Ca -0.02 0.43 0.02 0.00 -0.15 0.00 0.00 55.06 55.35 1b2t s HIS 26 Cb 0.01 0.50 0.01 0.00 1.11 0.00 0.00 32.58 34.21 1b2t s HIS 26 CO 0.13 -0.79 -0.08 1.52 -0.85 0.00 0.00 174.74 174.67 1b2t s TYR 27 N -3.29 0.93 0.38 1.40 -0.85 -1.26 0.02 117.35 114.68 1b2t s TYR 27 Ca -0.01 -0.24 0.06 0.00 -0.52 0.00 0.00 57.07 56.35 1b2t s TYR 27 Cb -0.01 -0.68 -0.07 0.00 0.38 0.00 0.00 41.96 41.58 1b2t s TYR 27 CO -0.09 -0.12 0.03 -0.65 -1.52 0.00 0.00 175.55 173.20 1b2t s GLN 28 N 0.31 1.85 0.04 -3.49 -1.52 0.10 -4.99 119.66 111.96 1b2t s GLN 28 Ca -0.05 -2.05 0.05 0.00 -1.95 0.00 0.00 55.36 51.37 1b2t s GLN 28 Cb -0.10 -1.34 -0.03 0.00 -0.22 0.00 0.00 33.01 31.32 1b2t s GLN 28 CO 0.01 -0.11 -0.10 -1.14 -0.25 0.00 0.00 175.29 173.69 1b2t s GLN 29 N -3.78 2.32 0.65 2.91 0.74 -1.26 -0.49 119.66 120.75 1b2t s GLN 29 Ca 0.35 -0.86 -0.11 0.00 0.05 0.00 0.00 55.36 54.78 1b2t s GLN 29 Cb 0.09 -2.37 -0.02 0.00 1.10 0.00 0.00 33.01 31.81 1b2t s GLN 29 CO 0.17 0.56 1.06 1.21 -0.55 0.00 0.00 175.29 177.73 1b2t s ASN 30 N -1.63 5.93 -0.16 6.67 3.84 -1.19 -4.82 114.94 123.58 1b2t s ASN 30 Ca 0.18 1.32 -0.07 0.00 0.21 0.00 0.00 52.86 54.49 1b2t s ASN 30 Cb -0.11 -2.27 -0.04 0.00 -0.55 0.00 0.00 41.25 38.28 1b2t s ASN 30 CO 0.09 -1.05 0.09 -1.10 -2.79 0.00 0.00 177.10 172.33 1b2t s GLN 31 N -5.24 3.76 -1.10 0.43 -0.21 -1.26 -4.94 119.66 111.09 1b2t s GLN 31 Ca 0.56 -0.27 -0.24 0.00 0.02 0.00 0.00 55.36 55.44 1b2t s GLN 31 Cb -0.11 -3.20 -0.10 0.00 1.00 0.00 0.00 33.01 30.60 1b2t s GLN 31 CO 0.53 0.47 1.97 0.00 -2.12 0.00 0.00 175.29 176.14 1b2t s ALA 32 N -0.16 1.58 0.00 6.09 0.00 -1.26 -3.08 121.76 124.93 1b2t s ALA 32 Ca 0.09 -1.90 0.00 0.00 0.00 0.00 0.00 51.96 50.14 1b2t s ALA 32 Cb -0.12 -4.65 0.00 0.00 0.00 0.00 0.00 23.12 18.35 1b2t s ALA 32 CO 0.01 -5.37 0.00 -1.13 0.00 0.00 0.00 175.76 169.27 1b2t n SER 33 N 15.07 0.00 -4.62 0.00 3.41 -1.26 -5.13 113.62 121.09 1b2t n SER 33 Ca 0.44 0.00 -0.34 0.00 -0.26 0.00 0.00 58.87 58.70 1b2t n SER 33 Cb 0.47 0.02 -0.10 0.00 -0.26 0.00 0.00 64.21 64.34 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 3.29 0.14 3.94 0.00 0.00 -1.26 -4.23 105.19 107.07 1b2t n GLY 35 Ca -0.17 -0.98 -0.23 0.00 0.00 0.00 0.00 46.02 44.63 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 0.00 3.38 -0.89 1.61 1.02 -0.65 -4.85 119.74 119.36 1b2t s LYS 36 Ca 0.00 -0.72 -0.25 0.00 0.02 0.00 0.00 55.97 55.02 1b2t s LYS 36 Cb 0.00 -2.89 -0.10 0.00 -0.52 0.00 0.00 37.83 34.32 1b2t s LYS 36 CO 0.00 0.46 2.15 1.03 -0.92 0.00 0.00 175.35 178.07 1b2t s ARG 37 N -3.65 2.06 0.00 1.68 0.52 -1.26 -4.62 118.95 113.67 1b2t s ARG 37 Ca 0.34 -0.05 0.00 0.00 -0.52 0.00 0.00 55.73 55.50 1b2t s ARG 37 Cb -0.10 -4.96 0.00 0.00 0.52 0.00 0.00 34.95 30.41 1b2t s ARG 37 CO 0.28 -4.03 0.00 0.00 0.02 0.00 0.00 175.30 171.58 1b2t n ALA 38 N 16.36 0.00 -2.42 2.13 0.00 -1.26 -4.69 120.51 130.63 1b2t n ALA 38 Ca 0.43 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.59 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 -1.22 2.40 -0.15 0.00 -1.09 0.09 -3.18 121.20 118.06 1b2t s ILE 39 Ca 0.00 -1.81 -0.05 0.00 -2.23 0.00 0.00 60.65 56.56 1b2t s ILE 39 Cb 0.00 -2.10 -0.04 0.00 -1.58 0.00 0.00 42.46 38.74 1b2t s ILE 39 CO 0.00 0.02 0.04 -0.63 -1.23 0.00 0.00 174.94 173.14 1b2t s ILE 40 N -1.28 4.59 -0.09 2.92 -1.09 0.36 0.08 121.20 126.69 1b2t s ILE 40 Ca 0.17 -0.12 0.03 0.00 -2.23 0.00 0.00 60.65 58.50 1b2t s ILE 40 Cb -0.09 -3.02 0.01 0.00 -1.58 0.00 0.00 42.46 37.77 1b2t s ILE 40 CO 0.08 0.51 -0.18 -0.76 -1.23 0.00 0.00 174.94 173.37 1b2t s LEU 41 N -0.05 1.85 -0.14 2.97 1.43 -0.38 0.03 118.68 124.38 1b2t s LEU 41 Ca 0.05 -0.44 -0.02 0.00 -1.03 0.00 0.00 54.13 52.69 1b2t s LEU 41 Cb -0.12 -1.13 -0.02 0.00 0.03 0.00 0.00 46.19 44.95 1b2t s LEU 41 CO 0.01 0.08 -0.07 -0.70 0.23 0.00 0.00 176.35 175.90 1b2t s GLU 42 N 0.63 3.52 0.48 1.70 2.12 0.10 -1.91 118.70 125.34 1b2t s GLU 42 Ca -0.14 -0.58 0.08 0.00 0.36 0.00 0.00 54.97 54.69 1b2t s GLU 42 Cb -0.16 -2.80 0.02 0.00 0.26 0.00 0.00 34.13 31.45 1b2t s GLU 42 CO 0.04 0.26 0.51 0.95 -0.54 0.00 0.00 175.26 176.48 1b2t s THR 43 N 0.28 2.37 -1.21 -1.70 -4.23 -0.87 0.39 115.64 110.68 1b2t s THR 43 Ca -0.06 -1.24 0.11 0.00 -1.18 0.00 0.00 61.69 59.32 1b2t s THR 43 Cb -0.15 -2.61 0.14 0.00 1.34 0.00 0.00 72.50 71.22 1b2t s THR 43 CO 0.04 0.00 1.29 0.54 -0.54 0.00 0.00 174.62 175.95 1b2t n ARG 44 N -1.81 0.07 -0.76 3.99 1.74 -0.16 -1.44 116.66 118.29 1b2t n ARG 44 Ca 0.06 0.25 0.05 0.00 -0.77 0.00 0.00 57.85 57.45 1b2t n ARG 44 Cb 0.62 -1.50 0.34 0.00 -1.02 0.00 0.00 32.46 30.90 1b2t n ARG 44 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1b2t n GLN 45 N -1.40 3.99 -3.50 5.56 6.02 -1.26 -4.92 117.38 121.87 1b2t n GLN 45 Ca 0.04 -3.06 -0.26 0.00 -0.01 0.00 0.00 57.00 53.72 1b2t n GLN 45 Cb 0.11 -2.11 0.02 0.00 1.02 0.00 0.00 30.24 29.28 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 0.08 -2.08 -3.69 1.08 8.25 -0.52 -4.94 115.22 113.38 1b2t n HIS 46 Ca 0.28 0.67 -0.37 0.00 -0.26 0.00 0.00 57.72 58.04 1b2t n HIS 46 Cb 1.12 -3.81 -0.12 0.00 1.12 0.00 0.00 29.99 28.30 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 -6.19 3.59 -0.17 -0.41 3.52 -1.26 -4.90 118.95 113.15 1b2t s ARG 47 Ca 0.49 -0.54 -0.06 0.00 -0.13 0.00 0.00 55.73 55.49 1b2t s ARG 47 Cb -0.24 -3.46 -0.04 0.00 -1.56 0.00 0.00 34.95 29.65 1b2t s ARG 47 CO 0.60 -0.27 0.04 -0.51 -0.81 0.00 0.00 175.30 174.36 1b2t s LEU 48 N 1.64 3.71 0.05 -0.88 1.43 -1.25 -2.05 118.68 121.32 1b2t s LEU 48 Ca 0.06 0.06 0.03 0.00 -1.03 0.00 0.00 54.13 53.25 1b2t s LEU 48 Cb -0.16 -1.92 -0.03 0.00 0.03 0.00 0.00 46.19 44.11 1b2t s LEU 48 CO 0.06 0.20 -0.09 -0.36 0.23 0.00 0.00 176.35 176.39 1b2t s PHE 49 N 0.19 0.81 -0.55 0.29 0.08 -0.80 -4.94 117.98 113.06 1b2t s PHE 49 Ca 0.03 -0.53 -0.16 0.00 0.12 0.00 0.00 56.93 56.39 1b2t s PHE 49 Cb -0.13 -0.47 0.13 0.00 -0.57 0.00 0.00 43.02 41.98 1b2t s PHE 49 CO 0.01 -0.06 0.52 0.00 -0.10 0.00 0.00 175.22 175.59 1b2t s ALA 51 N 1.67 3.21 0.31 0.00 0.00 0.11 -3.29 121.76 123.77 1b2t s ALA 51 Ca 0.04 -1.00 -0.29 0.00 0.00 0.00 0.00 51.96 50.70 1b2t s ALA 51 Cb -0.29 -1.99 -0.11 0.00 0.00 0.00 0.00 23.12 20.72 1b2t s ALA 51 CO 0.03 -0.25 1.54 0.34 0.00 0.00 0.00 175.76 177.42 1b2t s ASP 52 N 1.18 6.42 0.53 0.00 2.15 -1.26 -0.73 116.67 124.96 1b2t s ASP 52 Ca 0.04 2.93 0.28 0.00 0.43 0.00 0.00 52.55 56.22 1b2t s ASP 52 Cb -0.14 -2.64 1.50 0.00 -0.30 0.00 0.00 42.92 41.34 1b2t s ASP 52 CO 0.03 -0.86 1.82 -0.65 -0.17 0.00 0.00 175.17 175.34 1b2t h PRO 53 N 4.41 0.00 0.00 4.34 0.11 -1.89 0.82 132.00 139.79 1b2t h PRO 53 Ca -0.48 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.57 1b2t h PRO 53 Cb 1.22 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 1b2t h PRO 53 CO 0.75 0.00 -0.31 0.87 -0.21 0.00 0.00 178.00 179.11 1b2t h LYS 54 N 0.00 0.00 -6.63 1.05 1.57 -1.96 -3.41 116.57 107.19 1b2t h LYS 54 Ca 0.00 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.25 1b2t h LYS 54 Cb 0.40 0.00 0.03 0.00 0.08 0.00 0.00 32.23 32.74 1b2t h LYS 54 CO 0.00 0.31 0.69 -1.21 -0.57 0.00 0.00 179.45 178.66 1b2t s GLU 55 N -3.82 4.35 0.09 3.15 2.02 0.28 -4.95 118.70 119.82 1b2t s GLU 55 Ca -0.01 2.08 -0.27 0.00 0.02 0.00 0.00 54.97 56.79 1b2t s GLU 55 Cb 0.12 -3.21 -0.14 0.00 0.10 0.00 0.00 34.13 31.01 1b2t s GLU 55 CO 0.67 -0.34 1.68 0.37 0.02 0.00 0.00 175.26 177.65 1b2t h GLN 56 N 5.88 -0.39 0.00 1.61 -0.00 -1.88 -1.72 115.11 118.61 1b2t h GLN 56 Ca -0.44 0.03 0.00 0.00 -0.00 0.00 0.00 58.65 58.24 1b2t h GLN 56 Cb 1.21 0.09 0.00 0.00 0.00 0.00 0.00 27.48 28.78 1b2t h GLN 56 CO 0.81 -0.26 0.37 0.11 0.00 0.00 0.00 178.83 179.85 1b2t h TRP 57 N -0.41 0.00 0.03 3.99 5.08 -1.96 0.53 115.95 123.21 1b2t h TRP 57 Ca -0.01 0.00 -0.29 0.00 1.08 0.00 0.00 58.89 59.66 1b2t h TRP 57 Cb 0.36 0.00 -0.04 0.00 -3.00 0.00 0.00 29.16 26.48 1b2t h TRP 57 CO -0.11 0.00 -1.65 0.28 -1.28 0.00 0.00 178.44 175.68 1b2t h VAL 58 N 0.00 0.95 0.24 0.12 2.07 -1.64 -2.25 116.25 115.74 1b2t h VAL 58 Ca 0.00 -2.74 -0.01 0.00 0.82 0.00 0.00 66.70 64.76 1b2t h VAL 58 Cb 0.74 2.52 0.00 0.00 -1.52 0.00 0.00 31.29 33.03 1b2t h VAL 58 CO 0.00 0.64 -0.12 0.11 0.02 0.00 0.00 177.57 178.22 1b2t h LYS 59 N 0.02 -0.32 -0.31 1.57 1.57 0.47 -2.21 116.57 117.37 1b2t h LYS 59 Ca -0.27 0.02 -0.08 0.00 -1.87 0.00 0.00 60.65 58.45 1b2t h LYS 59 Cb 1.99 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 34.36 1b2t h LYS 59 CO 0.10 0.04 -0.13 0.22 -0.57 0.00 0.00 179.45 179.11 1b2t h ASP 60 N -0.78 0.65 -0.72 0.86 3.58 -1.45 -1.07 116.42 117.49 1b2t h ASP 60 Ca -0.03 -0.40 0.13 0.00 0.42 0.00 0.00 57.03 57.15 1b2t h ASP 60 Cb 0.51 -0.18 -0.09 0.00 1.72 0.00 0.00 39.33 41.29 1b2t h ASP 60 CO 0.05 0.91 0.28 0.00 -2.88 0.00 0.00 179.24 177.61 1b2t h ALA 61 N 0.77 0.99 0.28 -0.78 0.00 -1.48 -0.72 119.26 118.33 1b2t h ALA 61 Ca 0.07 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1b2t h ALA 61 Cb 0.65 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1b2t h ALA 61 CO 0.04 -0.20 -0.14 0.52 0.00 0.00 0.00 179.25 179.48 1b2t h MET 62 N 0.44 -0.37 -1.17 0.00 2.86 -1.29 -2.54 114.93 112.87 1b2t h MET 62 Ca 0.39 0.03 0.34 0.00 -2.06 0.00 0.00 59.70 58.39 1b2t h MET 62 Cb 0.56 0.08 -0.05 0.00 0.06 0.00 0.00 31.60 32.26 1b2t h MET 62 CO -0.38 -0.02 1.01 0.37 1.06 0.00 0.00 176.91 178.95 1b2t h GLN 63 N -0.88 0.00 0.16 1.72 4.15 -0.79 0.23 115.11 119.70 1b2t h GLN 63 Ca -0.04 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.37 1b2t h GLN 63 Cb 0.51 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.21 1b2t h GLN 63 CO 0.06 0.00 -0.08 1.25 -1.93 0.00 0.00 178.83 178.14 1b2t h HIS 64 N 0.00 -0.19 0.00 3.99 2.76 -0.96 -3.26 115.15 117.48 1b2t h HIS 64 Ca 0.55 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.72 1b2t h HIS 64 Cb 2.57 0.06 0.00 0.00 1.55 0.00 0.00 27.41 31.60 1b2t h HIS 64 CO 0.00 -0.12 0.19 -0.07 -1.30 0.00 0.00 177.93 176.63 1b2t h LEU 65 N -0.72 0.00 -0.74 0.26 3.38 -0.61 0.37 115.31 117.24 1b2t h LEU 65 Ca -0.02 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.83 1b2t h LEU 65 Cb 0.16 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 1b2t h LEU 65 CO 0.04 0.00 -0.27 0.44 0.09 0.00 0.00 178.44 178.73 1b2t h ASP 66 N 0.00 0.68 0.46 -0.43 3.32 -0.67 -2.81 116.42 116.96 1b2t h ASP 66 Ca 0.00 -0.25 0.00 0.00 0.02 0.00 0.00 57.03 56.80 1b2t h ASP 66 Cb 0.38 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.74 1b2t h ASP 66 CO 0.00 0.92 -0.46 0.54 -1.72 0.00 0.00 179.24 178.51 1b2t n ARG 67 N -4.10 0.13 0.06 3.56 1.74 0.10 -4.19 116.66 113.96 1b2t n ARG 67 Ca -0.00 -0.08 -0.02 0.00 -0.77 0.00 0.00 57.85 56.97 1b2t n ARG 67 Cb 0.45 -1.50 -0.01 0.00 -1.02 0.00 0.00 32.46 30.38 1b2t n ARG 67 CO 0.00 0.00 0.00 0.37 -1.52 0.00 0.00 177.63 176.48 1b2t h GLN 68 N 0.19 -0.15 -0.66 5.56 4.15 -1.22 -0.64 115.11 122.35 1b2t h GLN 68 Ca 0.00 0.01 0.14 0.00 0.77 0.00 0.00 58.65 59.57 1b2t h GLN 68 Cb 0.50 0.03 -0.11 0.00 0.21 0.00 0.00 27.48 28.11 1b2t h GLN 68 CO 0.00 -0.10 0.00 0.00 -1.93 0.00 0.00 178.83 176.80 1b2t h ALA 69 N -1.91 0.65 -0.36 3.38 0.00 -1.76 0.27 119.26 119.53 1b2t h ALA 69 Ca -0.02 0.20 0.03 0.00 0.00 0.00 0.00 54.91 55.12 1b2t h ALA 69 Cb 0.12 0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1b2t h ALA 69 CO 0.03 -0.40 0.24 0.00 0.00 0.00 0.00 179.25 179.12 1b2t h ALA 70 N 1.60 1.85 0.00 0.00 0.00 -1.70 0.58 119.26 121.59 1b2t h ALA 70 Ca 0.35 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.24 1b2t h ALA 70 Cb 0.57 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1b2t h ALA 70 CO -0.57 0.11 0.17 0.00 0.00 0.00 0.00 179.25 178.97 1b2t h ALA 71 N 1.79 1.14 0.00 0.00 0.00 0.12 -3.17 119.26 119.14 1b2t h ALA 71 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1b2t h ALA 71 Cb 0.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1b2t h ALA 71 CO -0.03 -0.14 -0.78 1.28 0.00 0.00 0.00 179.25 179.58 1b2t n LEU 72 N -2.51 0.68 0.00 0.00 7.99 -0.39 -5.10 117.00 117.68 1b2t n LEU 72 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.98 1b2t n LEU 72 Cb 0.21 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.52 1b2t n LEU 72 CO 0.11 0.03 0.00 0.35 -1.51 0.00 0.00 177.39 176.38 1b2t n THR 73 N -2.71 0.00 -1.66 -5.08 -2.24 0.19 -5.11 114.28 97.67 1b2t n THR 73 Ca 0.00 0.00 -0.51 0.00 -2.27 0.00 0.00 64.05 61.27 1b2t n THR 73 Cb 0.39 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.56 1b2t n THR 73 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1b2t n ARG 74 N -0.65 1.80 0.03 -0.78 0.63 -1.26 -4.05 116.66 112.37 1b2t n ARG 74 Ca 0.00 0.64 -0.01 0.00 -0.92 0.00 0.00 57.85 57.56 1b2t n ARG 74 Cb 0.00 -2.51 -0.00 0.00 0.45 0.00 0.00 32.46 30.39 1b2t n ARG 74 CO 0.00 0.00 0.00 -1.71 -2.51 0.00 0.00 177.63 173.41 1b2t n ASN 75 N 6.89 1.05 0.00 6.15 2.85 -1.26 -5.06 115.26 125.88 1b2t n ASN 75 Ca 0.26 0.14 0.00 0.00 -0.11 0.00 0.00 54.58 54.87 1b2t n ASN 75 Cb 0.25 -0.34 0.00 0.00 1.24 0.00 0.00 39.78 40.93 1b2t n ASN 75 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76