#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b2t h GLN 1 N 0.00 0.08 0.00 0.03 1.08 -2.03 -3.48 115.11 110.79 1b2t h GLN 1 Ca 0.00 -0.14 0.00 0.00 -1.45 0.00 0.00 58.65 57.06 1b2t h GLN 1 Cb 0.00 0.05 0.00 0.00 -0.05 0.00 0.00 27.48 27.48 1b2t h GLN 1 CO 0.00 1.07 0.00 0.72 -0.95 0.00 0.00 178.83 179.67 1b2t n HIS 2 N -4.38 -3.10 -4.79 2.96 8.25 -1.26 -5.13 115.22 107.77 1b2t n HIS 2 Ca -0.19 0.57 -0.24 0.00 -0.26 0.00 0.00 57.72 57.60 1b2t n HIS 2 Cb 0.65 1.72 -0.15 0.00 1.12 0.00 0.00 29.99 33.33 1b2t n HIS 2 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 1b2t s HIS 3 N -2.00 1.52 0.00 4.41 -3.43 -1.26 -5.05 115.29 109.48 1b2t s HIS 3 Ca 0.00 -0.29 0.00 0.00 -0.80 0.00 0.00 55.06 53.97 1b2t s HIS 3 Cb 0.00 -0.97 0.00 0.00 -1.43 0.00 0.00 32.58 30.18 1b2t s HIS 3 CO 0.00 -0.02 0.00 0.41 -2.00 0.00 0.00 174.74 173.13 1b2t n GLY 4 N 2.60 1.54 2.63 -1.38 0.00 -1.26 -4.98 105.19 104.33 1b2t n GLY 4 Ca -0.15 -1.11 -0.29 0.00 0.00 0.00 0.00 46.02 44.48 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 2.38 2.75 -3.36 1.61 0.24 -1.26 -4.61 118.33 116.09 1b2t n VAL 5 Ca 0.00 -5.06 0.00 0.00 -2.04 0.00 0.00 64.34 57.24 1b2t n VAL 5 Cb 0.00 -1.30 0.00 0.00 -1.47 0.00 0.00 33.84 31.07 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 -0.42 0.00 0.00 3.34 -2.24 -1.26 -5.15 114.28 108.55 1b2t n THR 6 Ca 0.39 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.17 1b2t n THR 6 Cb 0.55 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.78 1b2t n THR 6 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 1b2t n LYS 7 N 0.00 0.00 -1.55 -0.78 2.85 -1.26 -4.93 118.16 112.49 1b2t n LYS 7 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1b2t n LYS 7 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 1b2t n LYS 7 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1b2t h ASN 9 N 2.37 0.30 -3.20 0.00 -1.07 -1.99 -3.33 115.58 108.65 1b2t h ASN 9 Ca 0.00 0.12 -0.59 0.00 0.07 0.00 0.00 56.30 55.90 1b2t h ASN 9 Cb 0.00 0.09 -0.40 0.00 -2.07 0.00 0.00 38.32 35.95 1b2t h ASN 9 CO 0.00 0.09 -0.76 -0.51 0.07 0.00 0.00 177.43 176.32 1b2t s ILE 10 N -5.99 0.95 -0.21 6.14 2.07 -1.26 -5.11 121.20 117.79 1b2t s ILE 10 Ca -0.12 -1.79 -0.07 0.00 -1.41 0.00 0.00 60.65 57.25 1b2t s ILE 10 Cb 0.22 -1.70 -0.04 0.00 0.13 0.00 0.00 42.46 41.07 1b2t s ILE 10 CO 0.77 -0.78 0.07 -0.89 -1.91 0.00 0.00 174.94 172.20 1b2t s THR 11 N 1.16 4.58 -1.35 4.00 2.01 -1.25 -4.72 115.64 120.07 1b2t s THR 11 Ca 0.13 -0.09 -0.16 0.00 0.31 0.00 0.00 61.69 61.88 1b2t s THR 11 Cb -0.20 -3.10 0.07 0.00 0.01 0.00 0.00 72.50 69.28 1b2t s THR 11 CO -0.14 0.40 1.90 0.00 -0.69 0.00 0.00 174.62 176.09 1b2t h SER 13 N 6.88 0.56 -2.31 0.00 0.87 -1.95 -3.24 113.55 114.35 1b2t h SER 13 Ca 0.48 -0.17 -0.08 0.00 -1.23 0.00 0.00 61.79 60.80 1b2t h SER 13 Cb 0.77 -0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 62.56 1b2t h SER 13 CO 1.61 0.74 -0.06 0.29 -0.53 0.00 0.00 176.83 178.88 1b2t n LYS 14 N -4.16 0.13 -4.01 2.24 4.76 -1.26 -4.99 118.16 110.88 1b2t n LYS 14 Ca 0.00 -0.67 -0.29 0.00 -2.87 0.00 0.00 58.31 54.48 1b2t n LYS 14 Cb 0.37 0.61 -0.05 0.00 -1.84 0.00 0.00 35.03 34.11 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 -2.22 3.10 0.12 1.97 -1.94 -1.26 -4.71 119.30 114.37 1b2t s MET 15 Ca 0.07 -0.64 -0.00 0.00 -1.71 0.00 0.00 55.69 53.42 1b2t s MET 15 Cb 0.00 -2.83 0.03 0.00 2.01 0.00 0.00 34.83 34.04 1b2t s MET 15 CO 0.05 0.56 0.17 -2.37 -0.01 0.00 0.00 175.02 173.42 1b2t n THR 16 N 0.18 0.00 -3.70 2.05 5.66 -0.84 -5.01 114.28 112.63 1b2t n THR 16 Ca -0.07 -0.25 -0.23 0.00 -3.05 0.00 0.00 64.05 60.44 1b2t n THR 16 Cb 0.52 -1.34 -0.02 0.00 -1.55 0.00 0.00 70.33 67.93 1b2t n THR 16 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 1b2t s SER 17 N -1.69 4.85 0.31 1.09 1.04 -1.26 -4.95 113.70 113.09 1b2t s SER 17 Ca 0.11 -0.94 -0.29 0.00 0.48 0.00 0.00 55.95 55.31 1b2t s SER 17 Cb -0.01 -0.23 -0.11 0.00 0.10 0.00 0.00 66.02 65.78 1b2t s SER 17 CO 0.07 -0.80 1.43 -0.75 0.98 0.00 0.00 173.24 174.17 1b2t s LYS 18 N -4.17 4.23 -0.01 4.02 2.20 -1.26 -5.03 119.74 119.72 1b2t s LYS 18 Ca 0.44 2.38 -0.01 0.00 -0.36 0.00 0.00 55.97 58.42 1b2t s LYS 18 Cb -0.02 -3.05 0.00 0.00 -1.51 0.00 0.00 37.83 33.25 1b2t s LYS 18 CO 0.26 -0.41 0.04 0.42 -0.36 0.00 0.00 175.35 175.30 1b2t s ILE 19 N -0.60 0.01 -0.02 5.43 1.01 -1.26 -5.12 121.20 120.64 1b2t s ILE 19 Ca 0.55 -0.05 -0.34 0.00 0.00 0.00 0.00 60.65 60.82 1b2t s ILE 19 Cb -0.43 -0.08 -0.12 0.00 0.01 0.00 0.00 42.46 41.84 1b2t s ILE 19 CO 0.52 -0.02 1.82 -2.65 0.00 0.00 0.00 174.94 174.61 1b2t n PRO 20 N 2.98 2.24 0.29 2.79 -0.02 -1.26 -4.83 135.00 137.19 1b2t n PRO 20 Ca -0.13 0.82 0.19 0.00 -2.02 0.00 0.00 63.50 62.36 1b2t n PRO 20 Cb 0.59 -2.66 0.96 0.00 -0.02 0.00 0.00 33.50 32.38 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 5.06 0.18 0.00 -1.45 3.04 -1.96 0.16 116.25 121.29 1b2t h VAL 21 Ca -0.48 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.21 1b2t h VAL 21 Cb 1.26 0.84 0.00 0.00 -2.01 0.00 0.00 31.29 31.39 1b2t h VAL 21 CO 0.94 0.00 0.00 0.00 -1.01 0.00 0.00 177.57 177.50 1b2t n ALA 22 N -2.12 1.82 0.48 3.17 0.00 -1.26 -1.84 120.51 120.76 1b2t n ALA 22 Ca -0.01 -0.07 0.08 0.00 0.00 0.00 0.00 53.44 53.44 1b2t n ALA 22 Cb 0.25 -1.24 -0.11 0.00 0.00 0.00 0.00 19.45 18.36 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 -1.30 0.48 -4.79 0.00 7.99 0.57 -4.97 117.00 114.98 1b2t n LEU 23 Ca 0.07 -0.31 -0.38 0.00 -0.01 0.00 0.00 56.01 55.38 1b2t n LEU 23 Cb 0.12 0.00 -0.06 0.00 -0.11 0.00 0.00 43.42 43.37 1b2t n LEU 23 CO 0.11 0.12 0.53 -0.76 -1.51 0.00 0.00 177.39 175.89 1b2t s LEU 24 N -3.28 4.43 0.00 2.23 1.43 -0.76 -1.98 118.68 120.75 1b2t s LEU 24 Ca 0.02 1.66 0.00 0.00 -1.03 0.00 0.00 54.13 54.78 1b2t s LEU 24 Cb 0.12 -3.66 0.00 0.00 0.03 0.00 0.00 46.19 42.68 1b2t s LEU 24 CO 0.67 0.05 0.00 2.30 0.23 0.00 0.00 176.35 179.61 1b2t n ILE 25 N 0.95 0.00 -3.73 -0.59 -5.35 -0.02 -4.78 119.36 105.85 1b2t n ILE 25 Ca -0.02 0.00 -0.13 0.00 -0.27 0.00 0.00 62.75 62.34 1b2t n ILE 25 Cb 0.50 -0.66 -0.08 0.00 -1.74 0.00 0.00 39.64 37.67 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 -1.84 -0.19 -0.08 4.28 3.76 -0.67 -4.95 115.29 115.60 1b2t s HIS 26 Ca 0.00 0.19 -0.01 0.00 -0.15 0.00 0.00 55.06 55.09 1b2t s HIS 26 Cb 0.00 0.13 0.03 0.00 1.11 0.00 0.00 32.58 33.85 1b2t s HIS 26 CO 0.00 -0.48 -0.03 1.52 -0.85 0.00 0.00 174.74 174.90 1b2t s TYR 27 N -1.98 0.97 0.00 1.40 -0.85 -1.26 0.16 117.35 115.79 1b2t s TYR 27 Ca -0.09 -0.37 0.00 0.00 -0.52 0.00 0.00 57.07 56.09 1b2t s TYR 27 Cb -0.03 -0.94 0.00 0.00 0.38 0.00 0.00 41.96 41.37 1b2t s TYR 27 CO 0.01 -0.38 0.00 1.04 -1.52 0.00 0.00 175.55 174.70 1b2t n GLN 28 N 4.96 1.23 -4.48 -3.49 6.02 0.13 -4.93 117.38 116.82 1b2t n GLN 28 Ca -0.11 0.00 -0.20 0.00 -0.01 0.00 0.00 57.00 56.68 1b2t n GLN 28 Cb 0.50 0.00 -0.15 0.00 1.02 0.00 0.00 30.24 31.61 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 -1.57 0.93 0.35 -1.09 2.00 -1.26 -1.89 119.66 117.13 1b2t s GLN 29 Ca 0.00 -0.46 -0.28 0.00 -2.00 0.00 0.00 55.36 52.61 1b2t s GLN 29 Cb 0.00 -0.90 -0.11 0.00 0.80 0.00 0.00 33.01 32.81 1b2t s GLN 29 CO 0.00 0.24 1.42 1.21 -0.50 0.00 0.00 175.29 177.67 1b2t s ASN 30 N -0.41 6.51 0.18 6.67 3.84 -1.16 -4.82 114.94 125.75 1b2t s ASN 30 Ca 0.04 2.90 -0.30 0.00 0.21 0.00 0.00 52.86 55.71 1b2t s ASN 30 Cb -0.05 -2.66 -0.08 0.00 -0.55 0.00 0.00 41.25 37.92 1b2t s ASN 30 CO -0.00 -0.75 0.94 -1.10 -2.79 0.00 0.00 177.10 173.40 1b2t s GLN 31 N -1.86 4.78 0.02 0.43 -0.21 -1.26 -4.84 119.66 116.72 1b2t s GLN 31 Ca 0.52 1.46 0.07 0.00 0.02 0.00 0.00 55.36 57.43 1b2t s GLN 31 Cb -0.44 -3.32 0.32 0.00 1.00 0.00 0.00 33.01 30.57 1b2t s GLN 31 CO 0.58 0.40 1.23 0.00 -2.12 0.00 0.00 175.29 175.38 1b2t n ALA 32 N 2.03 1.29 -1.09 6.09 0.00 -1.26 -1.09 120.51 126.49 1b2t n ALA 32 Ca -0.00 -0.01 0.09 0.00 0.00 0.00 0.00 53.44 53.52 1b2t n ALA 32 Cb 0.48 -1.12 0.17 0.00 0.00 0.00 0.00 19.45 18.98 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 -1.54 2.66 0.00 0.00 3.41 -1.26 -4.83 113.62 112.06 1b2t n SER 33 Ca 0.01 -3.13 0.00 0.00 -0.26 0.00 0.00 58.87 55.49 1b2t n SER 33 Cb 0.08 -0.46 0.00 0.00 -0.26 0.00 0.00 64.21 63.56 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 3.21 4.55 3.70 0.00 0.00 -1.24 -4.85 105.19 110.56 1b2t n GLY 35 Ca 0.00 -0.69 -0.44 0.00 0.00 0.00 0.00 46.02 44.89 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 0.00 2.48 -1.77 1.61 4.76 -1.23 -4.82 118.16 119.19 1b2t n LYS 36 Ca 0.00 0.89 -0.19 0.00 -2.87 0.00 0.00 58.31 56.14 1b2t n LYS 36 Cb 0.00 -2.70 -0.07 0.00 -1.84 0.00 0.00 35.03 30.43 1b2t n LYS 36 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 1b2t s ARG 37 N 0.92 1.96 0.00 1.97 3.00 -1.26 -4.52 118.95 121.02 1b2t s ARG 37 Ca 0.76 0.06 0.00 0.00 -1.00 0.00 0.00 55.73 55.55 1b2t s ARG 37 Cb -0.58 -4.92 0.00 0.00 0.00 0.00 0.00 34.95 29.44 1b2t s ARG 37 CO 0.36 -4.12 0.00 0.00 0.00 0.00 0.00 175.30 171.54 1b2t n ALA 38 N 16.85 0.00 -2.44 6.12 0.00 -1.26 -4.94 120.51 134.84 1b2t n ALA 38 Ca 0.44 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.61 1b2t n ALA 38 Cb 0.45 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.77 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 1.30 1.97 -0.23 0.00 -1.09 -0.37 -3.00 121.20 119.77 1b2t s ILE 39 Ca 0.00 -1.52 -0.08 0.00 -2.23 0.00 0.00 60.65 56.82 1b2t s ILE 39 Cb 0.00 -1.74 -0.03 0.00 -1.58 0.00 0.00 42.46 39.11 1b2t s ILE 39 CO 0.00 0.12 0.08 -0.63 -1.23 0.00 0.00 174.94 173.28 1b2t s ILE 40 N -0.99 4.53 -0.22 2.92 -1.09 -0.79 -1.47 121.20 124.09 1b2t s ILE 40 Ca 0.10 -0.10 -0.04 0.00 -2.23 0.00 0.00 60.65 58.38 1b2t s ILE 40 Cb -0.10 -3.10 -0.01 0.00 -1.58 0.00 0.00 42.46 37.67 1b2t s ILE 40 CO 0.04 0.36 -0.03 -0.76 -1.23 0.00 0.00 174.94 173.32 1b2t s LEU 41 N 1.28 2.98 -0.17 2.97 1.43 0.15 0.23 118.68 127.53 1b2t s LEU 41 Ca 0.05 -0.35 -0.02 0.00 -1.03 0.00 0.00 54.13 52.78 1b2t s LEU 41 Cb -0.15 -1.76 -0.01 0.00 0.03 0.00 0.00 46.19 44.30 1b2t s LEU 41 CO 0.04 -0.00 -0.08 -0.70 0.23 0.00 0.00 176.35 175.83 1b2t s GLU 42 N 1.39 3.40 0.32 1.70 2.12 0.12 -1.49 118.70 126.26 1b2t s GLU 42 Ca 0.05 -0.64 0.07 0.00 0.36 0.00 0.00 54.97 54.80 1b2t s GLU 42 Cb -0.14 -2.83 -0.02 0.00 0.26 0.00 0.00 34.13 31.39 1b2t s GLU 42 CO -0.02 0.02 0.32 0.95 -0.54 0.00 0.00 175.26 175.99 1b2t s THR 43 N 0.89 3.87 -0.49 -1.70 -4.23 -0.59 -0.84 115.64 112.55 1b2t s THR 43 Ca -0.02 -1.28 0.14 0.00 -1.18 0.00 0.00 61.69 59.35 1b2t s THR 43 Cb -0.15 -3.30 0.14 0.00 1.34 0.00 0.00 72.50 70.53 1b2t s THR 43 CO 0.00 -0.20 1.43 -2.11 -0.54 0.00 0.00 174.62 173.20 1b2t n ARG 44 N -1.40 0.09 -1.11 3.99 1.85 -0.84 -0.99 116.66 118.25 1b2t n ARG 44 Ca -0.03 0.59 -0.18 0.00 -1.00 0.00 0.00 57.85 57.23 1b2t n ARG 44 Cb 0.59 -1.79 0.18 0.00 -1.05 0.00 0.00 32.46 30.39 1b2t n ARG 44 CO 0.00 0.00 0.00 0.94 -0.01 0.00 0.00 177.63 178.56 1b2t n GLN 45 N -1.98 2.15 -3.71 2.89 7.27 -1.26 -4.91 117.38 117.82 1b2t n GLN 45 Ca -0.01 -3.10 -0.22 0.00 0.07 0.00 0.00 57.00 53.74 1b2t n GLN 45 Cb 0.02 -2.07 0.04 0.00 2.41 0.00 0.00 30.24 30.64 1b2t n GLN 45 CO 0.00 0.00 0.00 0.72 0.07 0.00 0.00 177.06 177.85 1b2t n HIS 46 N -1.13 -2.01 -3.53 3.69 8.25 -0.16 -4.95 115.22 115.38 1b2t n HIS 46 Ca 0.51 0.86 -0.42 0.00 -0.26 0.00 0.00 57.72 58.42 1b2t n HIS 46 Cb 1.41 -4.40 -0.09 0.00 1.12 0.00 0.00 29.99 28.03 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 -6.04 2.69 -0.55 -0.41 3.52 -1.22 -4.88 118.95 112.08 1b2t s ARG 47 Ca 0.11 -1.48 -0.09 0.00 -0.13 0.00 0.00 55.73 54.14 1b2t s ARG 47 Cb -0.05 -3.90 0.14 0.00 -1.56 0.00 0.00 34.95 29.57 1b2t s ARG 47 CO 0.81 -1.02 0.42 -0.51 -0.81 0.00 0.00 175.30 174.19 1b2t s LEU 48 N 1.48 5.76 0.35 -0.88 1.43 -1.23 -1.54 118.68 124.04 1b2t s LEU 48 Ca 0.04 -2.19 0.09 0.00 -1.03 0.00 0.00 54.13 51.03 1b2t s LEU 48 Cb -0.24 -2.01 -0.05 0.00 0.03 0.00 0.00 46.19 43.92 1b2t s LEU 48 CO 0.03 -0.62 0.07 -0.36 0.23 0.00 0.00 176.35 175.70 1b2t s PHE 49 N 0.94 2.61 -0.34 0.29 0.08 -0.56 -4.90 117.98 116.10 1b2t s PHE 49 Ca 0.09 -0.43 -0.03 0.00 0.12 0.00 0.00 56.93 56.68 1b2t s PHE 49 Cb -0.23 -1.59 0.07 0.00 -0.57 0.00 0.00 43.02 40.70 1b2t s PHE 49 CO -0.02 0.40 0.08 0.00 -0.10 0.00 0.00 175.22 175.58 1b2t s ALA 51 N 1.24 3.26 0.12 0.00 0.00 -0.54 -1.98 121.76 123.85 1b2t s ALA 51 Ca -0.00 -1.02 -0.30 0.00 0.00 0.00 0.00 51.96 50.64 1b2t s ALA 51 Cb -0.21 -1.26 -0.06 0.00 0.00 0.00 0.00 23.12 21.59 1b2t s ALA 51 CO -0.02 0.66 1.03 0.34 0.00 0.00 0.00 175.76 177.78 1b2t s ASP 52 N -1.83 7.37 0.57 0.00 2.15 -1.26 -1.24 116.67 122.43 1b2t s ASP 52 Ca 0.22 1.90 0.29 0.00 0.43 0.00 0.00 52.55 55.39 1b2t s ASP 52 Cb -0.12 -2.59 1.47 0.00 -0.30 0.00 0.00 42.92 41.38 1b2t s ASP 52 CO 0.13 -0.17 1.91 -0.65 -0.17 0.00 0.00 175.17 176.21 1b2t h PRO 53 N 5.66 0.00 -0.72 4.34 0.11 -1.92 0.01 132.00 139.48 1b2t h PRO 53 Ca -0.43 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.62 1b2t h PRO 53 Cb 1.21 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.29 1b2t h PRO 53 CO 0.73 0.00 0.21 1.57 -0.21 0.00 0.00 178.00 180.30 1b2t h LYS 54 N 0.00 1.13 -6.26 1.05 2.10 -1.99 -3.38 116.57 109.22 1b2t h LYS 54 Ca 0.28 -0.25 -0.68 0.00 -2.00 0.00 0.00 60.65 58.00 1b2t h LYS 54 Cb 1.32 -0.16 0.05 0.00 -0.90 0.00 0.00 32.23 32.53 1b2t h LYS 54 CO -0.00 0.97 0.55 0.39 -2.00 0.00 0.00 179.45 179.36 1b2t n GLU 55 N -4.25 1.20 0.19 0.07 1.02 -0.01 -4.81 120.64 114.05 1b2t n GLU 55 Ca 0.06 0.44 -0.14 0.00 -0.02 0.00 0.00 57.16 57.49 1b2t n GLU 55 Cb 0.24 -2.09 -0.07 0.00 -0.02 0.00 0.00 31.44 29.49 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 5.10 -0.46 -0.06 3.49 -0.00 -1.87 -1.27 115.11 120.04 1b2t h GLN 56 Ca -0.47 0.03 0.02 0.00 -0.00 0.00 0.00 58.65 58.22 1b2t h GLN 56 Cb 1.33 0.10 -0.00 0.00 0.00 0.00 0.00 27.48 28.91 1b2t h GLN 56 CO 0.81 -0.31 0.49 0.11 0.00 0.00 0.00 178.83 179.93 1b2t h TRP 57 N -0.48 0.00 0.11 3.99 5.08 -1.96 0.22 115.95 122.92 1b2t h TRP 57 Ca -0.03 0.00 -0.32 0.00 1.08 0.00 0.00 58.89 59.63 1b2t h TRP 57 Cb 0.40 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.55 1b2t h TRP 57 CO -0.10 0.00 -1.68 0.28 -1.28 0.00 0.00 178.44 175.67 1b2t h VAL 58 N 0.00 0.83 0.20 0.12 2.07 -1.59 -2.11 116.25 115.77 1b2t h VAL 58 Ca 0.03 -2.35 0.01 0.00 0.82 0.00 0.00 66.70 65.20 1b2t h VAL 58 Cb 1.00 2.56 -0.03 0.00 -1.52 0.00 0.00 31.29 33.30 1b2t h VAL 58 CO -0.00 0.75 -0.28 0.11 0.02 0.00 0.00 177.57 178.17 1b2t h LYS 59 N -0.20 -0.52 -0.31 1.57 1.57 0.47 -0.03 116.57 119.12 1b2t h LYS 59 Ca -0.37 0.04 -0.09 0.00 -1.87 0.00 0.00 60.65 58.35 1b2t h LYS 59 Cb 1.85 0.12 -0.01 0.00 0.08 0.00 0.00 32.23 34.27 1b2t h LYS 59 CO 0.04 -0.34 -0.17 0.22 -0.57 0.00 0.00 179.45 178.63 1b2t h ASP 60 N -0.54 0.69 -1.00 0.86 1.82 -1.45 -2.47 116.42 114.33 1b2t h ASP 60 Ca 0.01 -0.42 0.22 0.00 -0.39 0.00 0.00 57.03 56.45 1b2t h ASP 60 Cb 0.53 -0.19 -0.11 0.00 0.68 0.00 0.00 39.33 40.23 1b2t h ASP 60 CO -0.11 0.96 0.61 0.00 -1.61 0.00 0.00 179.24 179.09 1b2t h ALA 61 N 0.76 1.77 0.37 -0.78 0.00 -1.10 0.98 119.26 121.27 1b2t h ALA 61 Ca 0.07 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 1b2t h ALA 61 Cb 0.70 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1b2t h ALA 61 CO 0.05 -0.19 -0.18 0.52 0.00 0.00 0.00 179.25 179.45 1b2t h MET 62 N 0.66 -0.48 -0.33 0.00 2.86 -0.84 -2.49 114.93 114.30 1b2t h MET 62 Ca 0.61 0.03 0.10 0.00 -2.06 0.00 0.00 59.70 58.37 1b2t h MET 62 Cb 1.08 0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.84 1b2t h MET 62 CO -0.41 -0.22 0.61 0.37 1.06 0.00 0.00 176.91 178.31 1b2t h GLN 63 N -1.06 0.00 0.21 1.72 5.75 -0.93 -0.77 115.11 120.03 1b2t h GLN 63 Ca -0.05 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.44 1b2t h GLN 63 Cb 0.48 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.03 1b2t h GLN 63 CO 0.08 0.00 -0.10 1.25 -2.65 0.00 0.00 178.83 177.42 1b2t h HIS 64 N 0.00 -0.26 0.00 3.99 2.76 -0.69 -3.25 115.15 117.71 1b2t h HIS 64 Ca 0.16 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.32 1b2t h HIS 64 Cb 1.37 0.08 0.00 0.00 1.55 0.00 0.00 27.41 30.42 1b2t h HIS 64 CO 0.00 -0.16 0.18 -0.07 -1.30 0.00 0.00 177.93 176.58 1b2t h LEU 65 N -0.88 0.00 -1.65 0.26 3.38 -0.74 0.10 115.31 115.78 1b2t h LEU 65 Ca -0.03 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 1b2t h LEU 65 Cb 0.21 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1b2t h LEU 65 CO 0.05 0.00 -0.20 0.44 0.09 0.00 0.00 178.44 178.82 1b2t h ASP 66 N 0.00 0.00 -0.29 -0.43 3.32 -1.23 -2.15 116.42 115.64 1b2t h ASP 66 Ca 0.00 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 1b2t h ASP 66 Cb 0.36 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.89 1b2t h ASP 66 CO 0.00 0.20 0.00 0.54 -1.72 0.00 0.00 179.24 178.26 1b2t n ARG 67 N -3.94 2.92 -0.00 3.56 3.00 0.35 -4.58 116.66 117.97 1b2t n ARG 67 Ca -0.02 -2.89 -0.04 0.00 -0.01 0.00 0.00 57.85 54.89 1b2t n ARG 67 Cb 0.28 -1.87 -0.01 0.00 0.00 0.00 0.00 32.46 30.86 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 -0.52 0.18 -0.20 5.56 3.00 -0.84 -4.53 117.38 120.03 1b2t n GLN 68 Ca 0.23 0.07 -0.04 0.00 -0.01 0.00 0.00 57.00 57.25 1b2t n GLN 68 Cb 0.93 -0.81 0.02 0.00 0.00 0.00 0.00 30.24 30.39 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 -0.33 0.07 -0.42 -1.58 0.00 -1.75 -1.12 119.26 114.13 1b2t h ALA 69 Ca -0.03 0.18 0.08 0.00 0.00 0.00 0.00 54.91 55.15 1b2t h ALA 69 Cb 0.42 0.70 -0.09 0.00 0.00 0.00 0.00 17.79 18.82 1b2t h ALA 69 CO -0.02 -0.62 -0.31 0.00 0.00 0.00 0.00 179.25 178.31 1b2t h ALA 70 N 1.14 -0.13 -1.50 0.00 0.00 -1.81 -3.38 119.26 113.59 1b2t h ALA 70 Ca 0.25 0.12 -0.47 0.00 0.00 0.00 0.00 54.91 54.81 1b2t h ALA 70 Cb 0.53 0.69 0.24 0.00 0.00 0.00 0.00 17.79 19.25 1b2t h ALA 70 CO -0.66 -0.70 -1.58 0.00 0.00 0.00 0.00 179.25 176.31 1b2t n ALA 71 N -3.01 -4.66 -0.68 0.00 0.00 -0.42 -2.90 120.51 108.85 1b2t n ALA 71 Ca 0.02 -1.31 0.00 0.00 0.00 0.00 0.00 53.44 52.15 1b2t n ALA 71 Cb 0.34 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.48 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 -0.11 0.00 -4.23 0.00 7.99 -1.26 -4.35 117.00 115.04 1b2t n LEU 72 Ca -0.00 0.00 -0.35 0.00 -0.01 0.00 0.00 56.01 55.64 1b2t n LEU 72 Cb 0.66 0.00 -0.14 0.00 -0.11 0.00 0.00 43.42 43.84 1b2t n LEU 72 CO 0.49 0.00 -0.35 0.28 -1.51 0.00 0.00 177.39 176.30 1b2t s THR 73 N 0.00 3.22 -0.28 -5.08 -1.32 -1.23 -4.99 115.64 105.96 1b2t s THR 73 Ca 0.00 -1.03 -0.04 0.00 -1.21 0.00 0.00 61.69 59.41 1b2t s THR 73 Cb 0.00 -2.70 -0.01 0.00 -1.51 0.00 0.00 72.50 68.28 1b2t s THR 73 CO 0.00 0.07 2.83 -2.11 -2.21 0.00 0.00 174.62 173.20 1b2t n ARG 74 N 4.71 2.10 -3.18 7.08 0.00 -1.14 -4.39 116.66 121.84 1b2t n ARG 74 Ca -0.15 -1.70 -0.24 0.00 -0.00 0.00 0.00 57.85 55.75 1b2t n ARG 74 Cb 0.46 -1.94 -0.06 0.00 -0.00 0.00 0.00 32.46 30.92 1b2t n ARG 74 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 1b2t n ASN 75 N 1.26 2.52 0.00 2.89 2.85 -1.26 -5.09 115.26 118.43 1b2t n ASN 75 Ca 0.41 -3.25 0.06 0.00 -0.11 0.00 0.00 54.58 51.69 1b2t n ASN 75 Cb 0.65 -0.62 0.35 0.00 1.24 0.00 0.00 39.78 41.40 1b2t n ASN 75 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76