#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 -0.78 0.12 0.03 10.64 -1.26 -4.52 117.38 121.60 1b2t n GLN 1 Ca 0.00 0.11 0.00 0.00 -1.83 0.00 0.00 57.00 55.28 1b2t n GLN 1 Cb 0.00 -3.74 0.00 0.00 -0.86 0.00 0.00 30.24 25.64 1b2t n GLN 1 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.06 175.95 1b2t n HIS 2 N -3.43 -2.39 0.00 2.61 8.25 -1.26 -5.06 115.22 113.94 1b2t n HIS 2 Ca 0.06 0.53 0.00 0.00 -0.26 0.00 0.00 57.72 58.06 1b2t n HIS 2 Cb 0.38 1.22 0.00 0.00 1.12 0.00 0.00 29.99 32.71 1b2t n HIS 2 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 1b2t n HIS 3 N -3.16 0.00 0.00 4.41 1.44 -1.26 -5.16 115.22 111.49 1b2t n HIS 3 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 1b2t n HIS 3 Cb 0.00 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.11 1b2t n HIS 3 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1b2t n GLY 4 N 0.00 2.37 2.69 -1.39 0.00 -1.26 -4.88 105.19 102.73 1b2t n GLY 4 Ca 0.00 -2.07 -0.31 0.00 0.00 0.00 0.00 46.02 43.64 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 -0.08 3.17 -3.24 1.61 0.24 -1.26 -0.99 118.33 117.77 1b2t n VAL 5 Ca 0.00 -5.04 0.00 0.00 -2.04 0.00 0.00 64.34 57.26 1b2t n VAL 5 Cb 0.00 -1.32 0.00 0.00 -1.47 0.00 0.00 33.84 31.05 1b2t n VAL 5 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1b2t n THR 6 N -0.40 0.00 0.00 3.34 -2.24 -1.26 -4.94 114.28 108.77 1b2t n THR 6 Ca 0.41 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.19 1b2t n THR 6 Cb 0.47 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.70 1b2t n THR 6 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1b2t n LYS 7 N 0.00 0.00 -3.54 -0.78 3.00 -1.26 -4.84 118.16 110.74 1b2t n LYS 7 Ca 0.00 0.00 -0.29 0.00 -0.00 0.00 0.00 58.31 58.02 1b2t n LYS 7 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 35.03 34.91 1b2t n LYS 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1b2t n ASN 9 N 3.69 -0.03 -4.10 0.00 0.23 -1.26 -4.16 115.26 109.64 1b2t n ASN 9 Ca 0.14 1.11 -0.22 0.00 -0.53 0.00 0.00 54.58 55.07 1b2t n ASN 9 Cb 0.38 -0.43 -0.15 0.00 -2.08 0.00 0.00 39.78 37.50 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 -5.45 1.09 -0.08 1.53 2.07 -1.26 -5.14 121.20 113.96 1b2t s ILE 10 Ca -0.08 -0.58 0.03 0.00 -1.41 0.00 0.00 60.65 58.61 1b2t s ILE 10 Cb 0.20 -0.92 0.01 0.00 0.13 0.00 0.00 42.46 41.88 1b2t s ILE 10 CO 0.51 0.31 -0.15 0.28 -1.91 0.00 0.00 174.94 173.99 1b2t s THR 11 N -0.22 1.35 -1.24 4.00 -1.32 -1.26 -4.85 115.64 112.10 1b2t s THR 11 Ca 0.03 -0.60 -0.20 0.00 -1.21 0.00 0.00 61.69 59.72 1b2t s THR 11 Cb -0.06 -1.22 0.02 0.00 -1.51 0.00 0.00 72.50 69.73 1b2t s THR 11 CO -0.00 0.40 1.78 0.00 -2.21 0.00 0.00 174.62 174.59 1b2t h SER 13 N 8.38 0.47 -2.65 0.00 0.87 -1.95 -1.65 113.55 117.03 1b2t h SER 13 Ca 0.36 -0.63 -0.12 0.00 -1.23 0.00 0.00 61.79 60.17 1b2t h SER 13 Cb 0.90 -0.14 -0.03 0.00 -0.44 0.00 0.00 62.40 62.69 1b2t h SER 13 CO 1.39 1.03 -0.10 0.29 -0.53 0.00 0.00 176.83 178.90 1b2t n LYS 14 N -4.37 0.15 -4.08 2.24 4.76 -1.26 -4.88 118.16 110.72 1b2t n LYS 14 Ca -0.08 -0.93 -0.22 0.00 -2.87 0.00 0.00 58.31 54.20 1b2t n LYS 14 Cb 0.52 0.81 -0.05 0.00 -1.84 0.00 0.00 35.03 34.47 1b2t n LYS 14 CO 0.00 0.00 0.00 -1.64 -1.37 0.00 0.00 177.40 174.39 1b2t s MET 15 N -2.34 2.62 0.00 1.97 -1.94 -1.26 -4.62 119.30 113.72 1b2t s MET 15 Ca 0.11 -1.30 0.00 0.00 -1.71 0.00 0.00 55.69 52.79 1b2t s MET 15 Cb 0.00 -2.37 0.00 0.00 2.01 0.00 0.00 34.83 34.47 1b2t s MET 15 CO 0.08 0.26 0.00 -2.37 -0.01 0.00 0.00 175.02 172.98 1b2t n THR 16 N -1.16 0.00 -3.37 2.05 5.66 -1.24 -5.03 114.28 111.20 1b2t n THR 16 Ca -0.05 0.00 -0.13 0.00 -3.05 0.00 0.00 64.05 60.82 1b2t n THR 16 Cb 0.59 -0.45 0.02 0.00 -1.55 0.00 0.00 70.33 68.94 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 -1.67 1.60 -4.76 1.09 7.64 -1.26 -5.00 113.62 111.26 1b2t n SER 17 Ca 0.00 -1.97 -0.37 0.00 1.01 0.00 0.00 58.87 57.53 1b2t n SER 17 Cb 0.00 -0.13 0.01 0.00 -1.01 0.00 0.00 64.21 63.08 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 -3.39 3.47 -0.09 1.43 2.36 -1.26 -5.05 119.74 117.22 1b2t s LYS 18 Ca 0.26 1.93 -0.12 0.00 -2.55 0.00 0.00 55.97 55.50 1b2t s LYS 18 Cb -0.02 -2.31 0.03 0.00 -1.05 0.00 0.00 37.83 34.48 1b2t s LYS 18 CO 0.17 -0.83 0.31 0.42 1.55 0.00 0.00 175.35 176.96 1b2t s ILE 19 N -1.47 0.02 0.17 5.43 1.01 -1.26 -5.13 121.20 119.96 1b2t s ILE 19 Ca 0.68 -0.14 -0.32 0.00 0.00 0.00 0.00 60.65 60.87 1b2t s ILE 19 Cb -0.33 -0.48 -0.12 0.00 0.01 0.00 0.00 42.46 41.54 1b2t s ILE 19 CO 0.39 -0.07 1.72 -2.65 0.00 0.00 0.00 174.94 174.33 1b2t n PRO 20 N 2.48 2.64 0.30 2.79 -0.02 -1.26 -4.87 135.00 137.06 1b2t n PRO 20 Ca -0.15 0.95 0.19 0.00 -2.02 0.00 0.00 63.50 62.47 1b2t n PRO 20 Cb 0.57 -2.79 0.93 0.00 -0.02 0.00 0.00 33.50 32.19 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 3.98 0.09 0.00 -1.45 3.04 -1.95 -1.65 116.25 118.30 1b2t h VAL 21 Ca -0.44 -0.29 0.00 0.00 -1.01 0.00 0.00 66.70 64.95 1b2t h VAL 21 Cb 1.22 1.27 0.00 0.00 -2.01 0.00 0.00 31.29 31.76 1b2t h VAL 21 CO 0.94 0.02 0.00 0.00 -1.01 0.00 0.00 177.57 177.52 1b2t n ALA 22 N -2.11 1.72 0.26 3.17 0.00 -1.26 -1.71 120.51 120.57 1b2t n ALA 22 Ca -0.01 -0.06 0.08 0.00 0.00 0.00 0.00 53.44 53.45 1b2t n ALA 22 Cb 0.19 -1.21 -0.12 0.00 0.00 0.00 0.00 19.45 18.32 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 -1.32 0.26 -4.76 0.00 7.99 -0.62 -4.96 117.00 113.59 1b2t n LEU 23 Ca 0.06 -0.17 -0.40 0.00 -0.01 0.00 0.00 56.01 55.49 1b2t n LEU 23 Cb 0.11 0.00 -0.06 0.00 -0.11 0.00 0.00 43.42 43.36 1b2t n LEU 23 CO 0.10 0.07 0.60 -0.76 -1.51 0.00 0.00 177.39 175.89 1b2t s LEU 24 N -3.71 4.62 0.00 2.23 1.43 -0.69 -1.35 118.68 121.21 1b2t s LEU 24 Ca -0.02 1.84 0.00 0.00 -1.03 0.00 0.00 54.13 54.92 1b2t s LEU 24 Cb 0.11 -3.51 0.00 0.00 0.03 0.00 0.00 46.19 42.82 1b2t s LEU 24 CO 0.70 0.15 0.00 2.30 0.23 0.00 0.00 176.35 179.73 1b2t n ILE 25 N 1.66 0.00 -3.77 -0.59 -5.35 0.80 -4.78 119.36 107.33 1b2t n ILE 25 Ca -0.03 0.00 -0.13 0.00 -0.27 0.00 0.00 62.75 62.32 1b2t n ILE 25 Cb 0.48 -0.68 -0.09 0.00 -1.74 0.00 0.00 39.64 37.61 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 -1.86 -0.16 0.00 4.28 3.76 -0.95 -5.05 115.29 115.31 1b2t s HIS 26 Ca 0.00 0.23 0.02 0.00 -0.15 0.00 0.00 55.06 55.16 1b2t s HIS 26 Cb 0.00 0.09 -0.01 0.00 1.11 0.00 0.00 32.58 33.77 1b2t s HIS 26 CO 0.00 -0.39 -0.07 1.52 -0.85 0.00 0.00 174.74 174.95 1b2t s TYR 27 N -1.38 0.59 0.19 1.40 -0.85 -1.26 -0.63 117.35 115.40 1b2t s TYR 27 Ca -0.13 -0.15 0.04 0.00 -0.52 0.00 0.00 57.07 56.31 1b2t s TYR 27 Cb -0.05 -0.38 -0.05 0.00 0.38 0.00 0.00 41.96 41.86 1b2t s TYR 27 CO 0.04 -0.01 -0.05 1.14 -1.52 0.00 0.00 175.55 175.14 1b2t s GLN 28 N -0.29 1.19 -0.23 -3.49 0.00 -0.08 -4.99 119.66 111.77 1b2t s GLN 28 Ca 0.01 -1.56 -0.16 0.00 -0.00 0.00 0.00 55.36 53.65 1b2t s GLN 28 Cb -0.03 -0.59 -0.04 0.00 0.00 0.00 0.00 33.01 32.35 1b2t s GLN 28 CO -0.00 -0.02 0.43 -1.14 0.00 0.00 0.00 175.29 174.56 1b2t s GLN 29 N -3.81 4.11 0.08 9.60 2.00 -1.26 -0.31 119.66 130.06 1b2t s GLN 29 Ca 0.22 0.20 -0.36 0.00 -2.00 0.00 0.00 55.36 53.42 1b2t s GLN 29 Cb 0.04 -3.60 -0.18 0.00 0.80 0.00 0.00 33.01 30.07 1b2t s GLN 29 CO 0.04 -0.18 0.98 -1.71 -0.50 0.00 0.00 175.29 173.92 1b2t n ASN 30 N 4.97 0.07 -4.61 6.67 2.85 -1.00 -4.77 115.26 119.44 1b2t n ASN 30 Ca -0.07 1.15 -0.43 0.00 -0.11 0.00 0.00 54.58 55.12 1b2t n ASN 30 Cb 0.51 -1.00 -0.03 0.00 1.24 0.00 0.00 39.78 40.50 1b2t n ASN 30 CO 0.00 0.00 0.00 -1.10 -2.11 0.00 0.00 177.26 174.05 1b2t s GLN 31 N -0.25 3.44 -0.85 1.20 -0.21 -1.26 -4.84 119.66 116.89 1b2t s GLN 31 Ca 0.81 1.74 -0.21 0.00 0.02 0.00 0.00 55.36 57.72 1b2t s GLN 31 Cb -1.10 -4.21 -0.19 0.00 1.00 0.00 0.00 33.01 28.52 1b2t s GLN 31 CO 0.55 -1.73 1.95 0.00 -2.12 0.00 0.00 175.29 173.94 1b2t n ALA 32 N 10.06 0.29 0.00 6.09 0.00 -1.26 -2.02 120.51 133.68 1b2t n ALA 32 Ca 0.24 -1.84 0.00 0.00 0.00 0.00 0.00 53.44 51.83 1b2t n ALA 32 Cb 0.45 -2.78 0.00 0.00 0.00 0.00 0.00 19.45 17.12 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 16.55 0.00 -4.63 0.00 3.41 -1.26 -5.14 113.62 122.55 1b2t n SER 33 Ca 0.35 0.00 -0.32 0.00 -0.26 0.00 0.00 58.87 58.64 1b2t n SER 33 Cb 0.46 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.31 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 1.32 -0.29 3.89 0.00 0.00 -1.26 -4.38 105.19 104.47 1b2t n GLY 35 Ca -0.14 -0.76 -0.29 0.00 0.00 0.00 0.00 46.02 44.83 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 3.70 -0.99 1.61 3.01 -0.62 -4.83 119.74 121.62 1b2t s LYS 36 Ca 0.00 0.33 -0.25 0.00 -1.01 0.00 0.00 55.97 55.04 1b2t s LYS 36 Cb 0.00 -2.43 -0.11 0.00 -1.01 0.00 0.00 37.83 34.29 1b2t s LYS 36 CO 0.00 -0.04 2.07 0.50 0.51 0.00 0.00 175.35 178.39 1b2t s ARG 37 N -4.03 2.10 0.00 1.68 3.52 -1.26 -4.62 118.95 116.34 1b2t s ARG 37 Ca 0.49 -0.39 0.00 0.00 -0.13 0.00 0.00 55.73 55.70 1b2t s ARG 37 Cb -0.10 -5.04 0.00 0.00 -1.56 0.00 0.00 34.95 28.25 1b2t s ARG 37 CO 0.34 -4.13 0.00 0.00 -0.81 0.00 0.00 175.30 170.70 1b2t n ALA 38 N 16.05 0.00 -2.50 6.12 0.00 -1.26 -4.89 120.51 134.03 1b2t n ALA 38 Ca 0.43 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.62 1b2t n ALA 38 Cb 0.46 0.00 -0.13 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 0.92 1.81 -0.27 0.00 -1.09 -0.28 -2.39 121.20 119.89 1b2t s ILE 39 Ca 0.00 -1.51 -0.09 0.00 -2.23 0.00 0.00 60.65 56.82 1b2t s ILE 39 Cb 0.00 -1.62 -0.02 0.00 -1.58 0.00 0.00 42.46 39.24 1b2t s ILE 39 CO 0.00 0.03 0.11 -0.63 -1.23 0.00 0.00 174.94 173.22 1b2t s ILE 40 N -1.07 4.55 -0.18 2.92 -1.09 0.57 -0.15 121.20 126.75 1b2t s ILE 40 Ca 0.08 -0.21 -0.07 0.00 -2.23 0.00 0.00 60.65 58.22 1b2t s ILE 40 Cb -0.10 -3.20 -0.04 0.00 -1.58 0.00 0.00 42.46 37.55 1b2t s ILE 40 CO 0.04 0.23 0.04 -0.76 -1.23 0.00 0.00 174.94 173.26 1b2t s LEU 41 N 1.63 3.64 -0.08 2.97 1.43 -0.82 -0.90 118.68 126.55 1b2t s LEU 41 Ca 0.06 -0.00 0.05 0.00 -1.03 0.00 0.00 54.13 53.20 1b2t s LEU 41 Cb -0.16 -1.92 -0.00 0.00 0.03 0.00 0.00 46.19 44.14 1b2t s LEU 41 CO 0.06 0.15 -0.24 -0.70 0.23 0.00 0.00 176.35 175.85 1b2t s GLU 42 N 0.51 2.80 0.45 1.70 2.12 0.20 -2.10 118.70 124.38 1b2t s GLU 42 Ca 0.02 -0.86 0.08 0.00 0.36 0.00 0.00 54.97 54.56 1b2t s GLU 42 Cb -0.13 -2.19 0.00 0.00 0.26 0.00 0.00 34.13 32.07 1b2t s GLU 42 CO 0.01 0.24 0.47 0.95 -0.54 0.00 0.00 175.26 176.39 1b2t s THR 43 N 0.19 2.56 -2.00 -1.70 -4.23 -0.85 -0.14 115.64 109.46 1b2t s THR 43 Ca -0.14 -1.25 0.22 0.00 -1.18 0.00 0.00 61.69 59.35 1b2t s THR 43 Cb -0.16 -2.81 0.64 0.00 1.34 0.00 0.00 72.50 71.50 1b2t s THR 43 CO 0.07 0.00 1.73 -2.11 -0.54 0.00 0.00 174.62 173.77 1b2t n ARG 44 N -1.71 0.75 0.00 3.99 1.85 -0.46 -2.24 116.66 118.84 1b2t n ARG 44 Ca 0.05 0.00 0.09 0.00 -1.00 0.00 0.00 57.85 56.99 1b2t n ARG 44 Cb 0.61 -1.47 0.02 0.00 -1.05 0.00 0.00 32.46 30.58 1b2t n ARG 44 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66 1b2t n GLN 45 N -0.97 1.58 -1.58 2.89 6.02 -1.26 -4.97 117.38 119.08 1b2t n GLN 45 Ca 0.17 -1.07 0.00 0.00 -0.01 0.00 0.00 57.00 56.08 1b2t n GLN 45 Cb 0.08 -1.34 0.00 0.00 1.02 0.00 0.00 30.24 30.00 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 0.23 0.00 -4.18 1.08 8.25 -0.95 -5.08 115.22 114.57 1b2t n HIS 46 Ca 0.08 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.20 1b2t n HIS 46 Cb 0.40 -0.69 -0.08 0.00 1.12 0.00 0.00 29.99 30.74 1b2t n HIS 46 CO 0.00 0.00 0.00 -0.98 0.64 0.00 0.00 176.34 176.00 1b2t s ARG 47 N -3.30 3.07 -0.14 -0.41 1.04 -1.26 -4.93 118.95 113.04 1b2t s ARG 47 Ca 0.00 -0.41 -0.01 0.00 -1.04 0.00 0.00 55.73 54.27 1b2t s ARG 47 Cb 0.00 -2.87 0.04 0.00 -2.04 0.00 0.00 34.95 30.07 1b2t s ARG 47 CO 0.00 0.69 -0.03 -0.51 -0.04 0.00 0.00 175.30 175.41 1b2t s LEU 48 N -1.28 1.19 -0.05 -1.89 1.43 -1.25 -2.02 118.68 114.81 1b2t s LEU 48 Ca 0.18 -0.48 0.01 0.00 -1.03 0.00 0.00 54.13 52.81 1b2t s LEU 48 Cb -0.12 -0.72 0.02 0.00 0.03 0.00 0.00 46.19 45.41 1b2t s LEU 48 CO 0.08 -0.20 -0.06 -0.36 0.23 0.00 0.00 176.35 176.04 1b2t s PHE 49 N 1.78 0.84 -0.55 0.29 0.40 -0.89 -4.96 117.98 114.89 1b2t s PHE 49 Ca 0.02 -0.25 -0.28 0.00 -0.60 0.00 0.00 56.93 55.82 1b2t s PHE 49 Cb -0.14 -0.72 0.01 0.00 0.51 0.00 0.00 43.02 42.68 1b2t s PHE 49 CO -0.07 -0.20 1.40 0.00 0.70 0.00 0.00 175.22 177.04 1b2t s ALA 51 N 5.92 3.14 0.21 0.00 0.00 0.79 -3.65 121.76 128.18 1b2t s ALA 51 Ca 0.52 -0.79 -0.30 0.00 0.00 0.00 0.00 51.96 51.39 1b2t s ALA 51 Cb -0.11 -1.68 -0.08 0.00 0.00 0.00 0.00 23.12 21.25 1b2t s ALA 51 CO 0.26 0.21 1.07 0.34 0.00 0.00 0.00 175.76 177.64 1b2t s ASP 52 N 0.35 7.33 0.64 0.00 2.15 -1.26 -1.13 116.67 124.75 1b2t s ASP 52 Ca -0.02 2.11 0.29 0.00 0.43 0.00 0.00 52.55 55.36 1b2t s ASP 52 Cb -0.14 -2.61 1.58 0.00 -0.30 0.00 0.00 42.92 41.46 1b2t s ASP 52 CO 0.02 -0.14 1.92 -0.65 -0.17 0.00 0.00 175.17 176.14 1b2t h PRO 53 N 4.66 0.00 0.00 4.34 0.11 -1.92 0.21 132.00 139.40 1b2t h PRO 53 Ca -0.45 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.63 1b2t h PRO 53 Cb 1.21 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 1b2t h PRO 53 CO 0.70 0.00 -0.13 0.87 -0.21 0.00 0.00 178.00 179.24 1b2t h LYS 54 N 0.00 0.00 -6.54 1.05 1.57 -1.99 -3.40 116.57 107.27 1b2t h LYS 54 Ca 0.05 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.30 1b2t h LYS 54 Cb 0.79 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.11 1b2t h LYS 54 CO -0.00 0.13 0.66 -1.21 -0.57 0.00 0.00 179.45 178.46 1b2t s GLU 55 N -4.08 4.36 0.09 3.15 2.02 0.73 -4.95 118.70 120.02 1b2t s GLU 55 Ca -0.02 1.97 -0.29 0.00 0.02 0.00 0.00 54.97 56.64 1b2t s GLU 55 Cb 0.12 -3.28 -0.14 0.00 0.10 0.00 0.00 34.13 30.94 1b2t s GLU 55 CO 0.58 -0.36 1.65 0.37 0.02 0.00 0.00 175.26 177.52 1b2t h GLN 56 N 6.69 -0.59 0.00 1.61 -0.00 -1.87 -1.44 115.11 119.50 1b2t h GLN 56 Ca -0.42 0.04 0.00 0.00 -0.00 0.00 0.00 58.65 58.27 1b2t h GLN 56 Cb 1.21 0.13 0.00 0.00 0.00 0.00 0.00 27.48 28.83 1b2t h GLN 56 CO 0.84 -0.40 0.40 0.11 0.00 0.00 0.00 178.83 179.79 1b2t h TRP 57 N -0.62 0.00 0.11 3.99 5.08 -1.95 0.21 115.95 122.77 1b2t h TRP 57 Ca -0.03 0.00 -0.32 0.00 1.08 0.00 0.00 58.89 59.62 1b2t h TRP 57 Cb 0.53 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.68 1b2t h TRP 57 CO -0.12 0.00 -1.68 0.28 -1.28 0.00 0.00 178.44 175.63 1b2t h VAL 58 N 0.00 0.82 -0.08 0.12 2.07 -1.61 -2.20 116.25 115.38 1b2t h VAL 58 Ca 0.00 -2.35 0.01 0.00 0.82 0.00 0.00 66.70 65.18 1b2t h VAL 58 Cb 0.81 2.55 -0.01 0.00 -1.52 0.00 0.00 31.29 33.12 1b2t h VAL 58 CO 0.00 0.75 0.02 0.11 0.02 0.00 0.00 177.57 178.47 1b2t h LYS 59 N -0.21 0.06 -0.09 1.57 1.57 -0.23 -1.13 116.57 118.12 1b2t h LYS 59 Ca -0.37 -0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.33 1b2t h LYS 59 Cb 1.85 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 34.14 1b2t h LYS 59 CO 0.04 0.04 -0.25 0.22 -0.57 0.00 0.00 179.45 178.94 1b2t h ASP 60 N 0.06 0.36 -1.01 0.86 3.58 -1.56 -2.23 116.42 116.48 1b2t h ASP 60 Ca 0.03 -0.60 0.25 0.00 0.42 0.00 0.00 57.03 57.13 1b2t h ASP 60 Cb 0.02 -0.11 -0.12 0.00 1.72 0.00 0.00 39.33 40.84 1b2t h ASP 60 CO -0.04 0.90 0.60 0.00 -2.88 0.00 0.00 179.24 177.83 1b2t h ALA 61 N 0.47 1.84 0.24 -0.78 0.00 -1.29 0.25 119.26 120.00 1b2t h ALA 61 Ca -0.01 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1b2t h ALA 61 Cb 0.86 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1b2t h ALA 61 CO 0.05 -0.32 -0.12 0.52 0.00 0.00 0.00 179.25 179.39 1b2t h MET 62 N 0.56 -0.31 -0.96 0.00 2.86 -1.17 -2.33 114.93 113.57 1b2t h MET 62 Ca 0.64 0.02 0.28 0.00 -2.06 0.00 0.00 59.70 58.58 1b2t h MET 62 Cb 1.27 0.07 -0.04 0.00 0.06 0.00 0.00 31.60 32.96 1b2t h MET 62 CO -0.46 -0.21 0.96 0.37 1.06 0.00 0.00 176.91 178.63 1b2t h GLN 63 N -0.80 0.00 0.03 1.72 4.15 -0.92 0.55 115.11 119.85 1b2t h GLN 63 Ca -0.03 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.39 1b2t h GLN 63 Cb 0.25 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.94 1b2t h GLN 63 CO 0.05 0.00 -0.01 1.25 -1.93 0.00 0.00 178.83 178.19 1b2t h HIS 64 N 0.00 -0.03 0.00 3.99 2.76 -0.48 -2.70 115.15 118.68 1b2t h HIS 64 Ca 0.46 -0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.61 1b2t h HIS 64 Cb 2.38 0.01 -0.00 0.00 1.55 0.00 0.00 27.41 31.34 1b2t h HIS 64 CO 0.00 0.65 -0.09 -0.07 -1.30 0.00 0.00 177.93 177.12 1b2t h LEU 65 N -0.80 0.00 0.08 0.26 3.38 0.55 -2.98 115.31 115.80 1b2t h LEU 65 Ca -0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1b2t h LEU 65 Cb 0.70 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.45 1b2t h LEU 65 CO 0.01 0.09 -0.04 0.44 0.09 0.00 0.00 178.44 179.03 1b2t h ASP 66 N 0.00 -0.09 -0.41 -0.43 3.32 -0.83 -3.09 116.42 114.89 1b2t h ASP 66 Ca -0.00 -0.51 -0.46 0.00 0.02 0.00 0.00 57.03 56.08 1b2t h ASP 66 Cb 0.33 0.02 -0.08 0.00 0.22 0.00 0.00 39.33 39.82 1b2t h ASP 66 CO 0.01 0.53 1.25 0.54 -1.72 0.00 0.00 179.24 179.85 1b2t n ARG 67 N -4.84 2.90 0.00 3.56 5.12 -1.02 -3.56 116.66 118.82 1b2t n ARG 67 Ca -0.08 -1.97 0.00 0.00 -1.93 0.00 0.00 57.85 53.87 1b2t n ARG 67 Cb 0.30 -2.32 0.00 0.00 -1.16 0.00 0.00 32.46 29.27 1b2t n ARG 67 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 1b2t n GLN 68 N 2.28 0.00 -0.25 5.56 6.02 -1.24 -4.87 117.38 124.87 1b2t n GLN 68 Ca 0.56 0.00 0.14 0.00 -0.01 0.00 0.00 57.00 57.69 1b2t n GLN 68 Cb 0.57 0.00 0.42 0.00 1.02 0.00 0.00 30.24 32.25 1b2t n GLN 68 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1b2t h ALA 69 N 1.15 1.95 0.00 -1.58 0.00 -1.73 0.26 119.26 119.31 1b2t h ALA 69 Ca 0.00 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 1b2t h ALA 69 Cb 0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1b2t h ALA 69 CO 0.00 -0.20 -0.36 0.00 0.00 0.00 0.00 179.25 178.68 1b2t h ALA 70 N 1.61 0.91 0.00 0.00 0.00 -1.74 -2.92 119.26 117.13 1b2t h ALA 70 Ca 0.45 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1b2t h ALA 70 Cb 0.85 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1b2t h ALA 70 CO -0.20 0.45 0.00 0.00 0.00 0.00 0.00 179.25 179.51 1b2t n ALA 71 N -2.25 1.39 -0.81 0.00 0.00 0.89 -4.04 120.51 115.69 1b2t n ALA 71 Ca 0.01 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1b2t n ALA 71 Cb 0.55 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 18.88 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 -1.44 0.00 -4.01 0.00 7.99 -1.11 -5.05 117.00 113.37 1b2t n LEU 72 Ca 0.02 0.00 -0.24 0.00 -0.01 0.00 0.00 56.01 55.79 1b2t n LEU 72 Cb 0.08 -0.03 -0.16 0.00 -0.11 0.00 0.00 43.42 43.19 1b2t n LEU 72 CO 0.06 -0.10 -0.46 0.28 -1.51 0.00 0.00 177.39 175.67 1b2t s THR 73 N -0.19 1.05 -0.54 -5.08 -1.32 -1.15 -5.04 115.64 103.38 1b2t s THR 73 Ca 0.00 -0.44 0.02 0.00 -1.21 0.00 0.00 61.69 60.06 1b2t s THR 73 Cb 0.00 -0.97 0.43 0.00 -1.51 0.00 0.00 72.50 70.45 1b2t s THR 73 CO 0.00 0.33 1.57 -1.14 -2.21 0.00 0.00 174.62 173.17 1b2t n ARG 74 N 3.74 3.15 -3.98 7.08 0.63 -1.26 -4.47 116.66 121.55 1b2t n ARG 74 Ca -0.22 -3.88 -0.30 0.00 -0.92 0.00 0.00 57.85 52.52 1b2t n ARG 74 Cb 0.52 -2.27 -0.14 0.00 0.45 0.00 0.00 32.46 31.01 1b2t n ARG 74 CO 0.00 0.00 0.00 -0.80 -2.51 0.00 0.00 177.63 174.32 1b2t s ASN 75 N -2.61 4.51 0.00 6.15 0.02 -1.26 -5.15 114.94 116.60 1b2t s ASN 75 Ca 0.54 -2.61 0.00 0.00 -1.02 0.00 0.00 52.86 49.77 1b2t s ASN 75 Cb 0.44 -1.63 0.00 0.00 0.02 0.00 0.00 41.25 40.08 1b2t s ASN 75 CO -0.12 -0.30 0.00 0.61 0.02 0.00 0.00 177.10 177.31