#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 3.33 -4.20 2.12 6.02 -1.26 -5.03 117.38 118.35 1b2t n GLN 1 Ca 0.00 -0.00 -0.14 0.00 -0.01 0.00 0.00 57.00 56.85 1b2t n GLN 1 Cb 0.00 -1.02 -0.09 0.00 1.02 0.00 0.00 30.24 30.15 1b2t n GLN 1 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 1b2t s HIS 2 N -2.02 1.25 0.00 1.08 2.46 -1.26 -5.02 115.29 111.78 1b2t s HIS 2 Ca -0.00 -1.41 0.00 0.00 0.47 0.00 0.00 55.06 54.12 1b2t s HIS 2 Cb 0.00 -0.54 0.00 0.00 -0.13 0.00 0.00 32.58 31.91 1b2t s HIS 2 CO 0.03 -0.72 0.00 0.72 -2.47 0.00 0.00 174.74 172.30 1b2t n HIS 3 N -0.36 0.00 -3.66 3.88 8.25 -1.26 -4.56 115.22 117.51 1b2t n HIS 3 Ca 0.03 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.47 1b2t n HIS 3 Cb 0.65 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.75 1b2t n HIS 3 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1b2t s GLY 4 N 0.00 -0.34 -0.01 -1.41 0.00 -1.26 -5.13 107.32 99.18 1b2t s GLY 4 Ca 0.00 0.60 0.06 0.00 0.00 0.00 0.00 44.72 45.38 1b2t s GLY 4 CO 0.00 0.14 -0.19 0.54 0.00 0.00 0.00 173.10 173.59 1b2t s VAL 5 N -2.83 1.50 -0.75 1.40 0.11 -1.26 -4.72 120.40 113.85 1b2t s VAL 5 Ca 0.12 -0.85 0.14 0.00 -2.93 0.00 0.00 61.98 58.46 1b2t s VAL 5 Cb 0.01 -1.25 -0.14 0.00 -1.53 0.00 0.00 36.38 33.47 1b2t s VAL 5 CO -0.02 0.39 0.63 1.07 -3.33 0.00 0.00 175.10 173.84 1b2t n THR 6 N 2.53 0.00 -2.82 5.04 5.66 -1.26 -5.06 114.28 118.37 1b2t n THR 6 Ca -0.15 -0.19 -0.00 0.00 -3.05 0.00 0.00 64.05 60.66 1b2t n THR 6 Cb 0.53 1.02 -0.00 0.00 -1.55 0.00 0.00 70.33 70.33 1b2t n THR 6 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 1b2t n LYS 7 N -1.20 -2.82 -1.73 1.09 4.81 -1.26 -4.78 118.16 112.27 1b2t n LYS 7 Ca 0.03 2.37 -0.01 0.00 -0.87 0.00 0.00 58.31 59.83 1b2t n LYS 7 Cb 0.23 -4.40 -0.01 0.00 0.02 0.00 0.00 35.03 30.88 1b2t n LYS 7 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1b2t n ASN 9 N 0.86 0.09 -3.76 0.00 0.23 -1.26 -3.63 115.26 107.78 1b2t n ASN 9 Ca -0.05 0.90 -0.24 0.00 -0.53 0.00 0.00 54.58 54.66 1b2t n ASN 9 Cb 0.08 -0.39 -0.17 0.00 -2.08 0.00 0.00 39.78 37.21 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 -5.04 0.41 -0.09 1.53 2.07 -1.26 -5.10 121.20 113.72 1b2t s ILE 10 Ca -0.06 -0.04 0.02 0.00 -1.41 0.00 0.00 60.65 59.16 1b2t s ILE 10 Cb 0.17 -0.66 -0.02 0.00 0.13 0.00 0.00 42.46 42.09 1b2t s ILE 10 CO 0.42 0.15 -0.15 0.28 -1.91 0.00 0.00 174.94 173.72 1b2t s THR 11 N 1.95 2.89 -1.05 4.00 -1.32 -1.24 -4.77 115.64 116.10 1b2t s THR 11 Ca 0.04 -0.75 -0.03 0.00 -1.21 0.00 0.00 61.69 59.74 1b2t s THR 11 Cb -0.13 -2.16 0.31 0.00 -1.51 0.00 0.00 72.50 69.01 1b2t s THR 11 CO -0.06 0.55 1.61 0.00 -2.21 0.00 0.00 174.62 174.51 1b2t h SER 13 N 4.93 0.05 -4.75 0.00 4.64 -1.90 0.10 113.55 116.63 1b2t h SER 13 Ca 0.33 -0.04 -0.48 0.00 -0.47 0.00 0.00 61.79 61.13 1b2t h SER 13 Cb 0.50 -0.02 -0.12 0.00 -0.31 0.00 0.00 62.40 62.45 1b2t h SER 13 CO 1.27 0.71 -0.45 0.29 -0.87 0.00 0.00 176.83 177.78 1b2t n LYS 14 N -3.75 0.46 -4.56 4.77 4.76 -1.26 -4.82 118.16 113.75 1b2t n LYS 14 Ca -0.01 -3.23 -0.33 0.00 -2.87 0.00 0.00 58.31 51.86 1b2t n LYS 14 Cb 0.66 2.34 -0.14 0.00 -1.84 0.00 0.00 35.03 36.06 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 -3.36 3.47 0.23 1.97 -1.94 -1.26 -4.77 119.30 113.63 1b2t s MET 15 Ca 0.32 -0.63 -0.04 0.00 -1.71 0.00 0.00 55.69 53.63 1b2t s MET 15 Cb 0.02 -2.76 0.06 0.00 2.01 0.00 0.00 34.83 34.15 1b2t s MET 15 CO 0.23 0.17 0.20 -2.37 -0.01 0.00 0.00 175.02 173.24 1b2t n THR 16 N 3.68 0.00 -3.53 2.05 5.66 -1.20 -5.06 114.28 115.88 1b2t n THR 16 Ca -0.18 -0.09 -0.17 0.00 -3.05 0.00 0.00 64.05 60.56 1b2t n THR 16 Cb 0.52 -1.05 0.02 0.00 -1.55 0.00 0.00 70.33 68.27 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 -3.34 2.01 -4.72 1.09 7.64 -1.26 -5.00 113.62 110.04 1b2t n SER 17 Ca 0.03 -2.28 -0.35 0.00 1.01 0.00 0.00 58.87 57.28 1b2t n SER 17 Cb 0.11 -0.12 0.09 0.00 -1.01 0.00 0.00 64.21 63.27 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 -3.71 2.25 -0.10 1.43 2.20 -1.26 -5.05 119.74 115.50 1b2t s LYS 18 Ca 0.29 1.85 -0.13 0.00 -0.36 0.00 0.00 55.97 57.62 1b2t s LYS 18 Cb -0.02 -1.84 0.03 0.00 -1.51 0.00 0.00 37.83 34.49 1b2t s LYS 18 CO 0.19 -1.78 0.35 0.42 -0.36 0.00 0.00 175.35 174.18 1b2t s ILE 19 N -1.82 0.02 0.12 5.43 1.01 -1.26 -5.13 121.20 119.56 1b2t s ILE 19 Ca 0.77 -0.12 -0.36 0.00 0.00 0.00 0.00 60.65 60.94 1b2t s ILE 19 Cb -0.31 -0.54 -0.16 0.00 0.01 0.00 0.00 42.46 41.46 1b2t s ILE 19 CO 0.43 -0.07 1.41 -0.81 0.00 0.00 0.00 174.94 175.91 1b2t n PRO 20 N 2.43 1.49 -0.10 2.79 -0.04 -1.26 -4.89 135.00 135.43 1b2t n PRO 20 Ca -0.15 0.54 -0.08 0.00 -0.04 0.00 0.00 63.50 63.76 1b2t n PRO 20 Cb 0.57 -2.22 0.08 0.00 -0.04 0.00 0.00 33.50 31.89 1b2t n PRO 20 CO 0.00 0.00 0.00 -0.24 -0.04 0.00 0.00 175.50 175.22 1b2t h VAL 21 N 3.39 1.27 0.00 0.52 3.04 -1.97 -2.15 116.25 120.35 1b2t h VAL 21 Ca -0.47 -1.34 0.00 0.00 -1.01 0.00 0.00 66.70 63.88 1b2t h VAL 21 Cb 1.31 1.19 0.00 0.00 -2.01 0.00 0.00 31.29 31.78 1b2t h VAL 21 CO 0.81 0.45 0.00 0.00 -1.01 0.00 0.00 177.57 177.82 1b2t n ALA 22 N -2.50 2.39 0.79 3.17 0.00 -1.26 -2.31 120.51 120.78 1b2t n ALA 22 Ca 0.00 -0.10 0.08 0.00 0.00 0.00 0.00 53.44 53.42 1b2t n ALA 22 Cb 0.44 -1.26 -0.10 0.00 0.00 0.00 0.00 19.45 18.53 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 -0.82 0.79 -4.80 0.00 4.32 -0.81 -4.96 117.00 110.72 1b2t n LEU 23 Ca 0.12 -0.49 -0.38 0.00 -0.02 0.00 0.00 56.01 55.24 1b2t n LEU 23 Cb 0.06 0.00 -0.06 0.00 -1.62 0.00 0.00 43.42 41.80 1b2t n LEU 23 CO 0.09 0.20 0.37 -0.76 -1.22 0.00 0.00 177.39 176.07 1b2t s LEU 24 N -2.82 4.51 -0.01 2.23 1.43 -0.98 -1.45 118.68 121.59 1b2t s LEU 24 Ca 0.06 1.42 0.00 0.00 -1.03 0.00 0.00 54.13 54.58 1b2t s LEU 24 Cb 0.13 -3.19 -0.01 0.00 0.03 0.00 0.00 46.19 43.16 1b2t s LEU 24 CO 0.70 0.20 -0.01 2.30 0.23 0.00 0.00 176.35 179.77 1b2t n ILE 25 N 1.43 0.05 -3.89 -0.59 -5.35 -0.37 -4.78 119.36 105.87 1b2t n ILE 25 Ca -0.07 -0.02 -0.11 0.00 -0.27 0.00 0.00 62.75 62.28 1b2t n ILE 25 Cb 0.50 -0.65 -0.12 0.00 -1.74 0.00 0.00 39.64 37.63 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 -2.02 0.04 -0.04 4.28 3.76 -0.95 -5.04 115.29 115.34 1b2t s HIS 26 Ca -0.01 -0.09 0.01 0.00 -0.15 0.00 0.00 55.06 54.82 1b2t s HIS 26 Cb 0.00 -0.05 0.02 0.00 1.11 0.00 0.00 32.58 33.66 1b2t s HIS 26 CO 0.02 -0.13 -0.04 1.52 -0.85 0.00 0.00 174.74 175.26 1b2t s TYR 27 N -0.69 0.63 0.26 1.40 1.13 -1.26 0.06 117.35 118.88 1b2t s TYR 27 Ca -0.08 -0.15 0.02 0.00 -1.41 0.00 0.00 57.07 55.45 1b2t s TYR 27 Cb -0.05 -0.58 -0.03 0.00 -1.10 0.00 0.00 41.96 40.20 1b2t s TYR 27 CO 0.00 -0.16 0.22 1.14 -2.51 0.00 0.00 175.55 174.24 1b2t s GLN 28 N 0.82 1.47 -0.09 -3.49 0.00 0.23 -5.02 119.66 113.58 1b2t s GLN 28 Ca -0.10 -1.77 -0.12 0.00 -0.00 0.00 0.00 55.36 53.37 1b2t s GLN 28 Cb -0.13 0.31 -0.05 0.00 0.00 0.00 0.00 33.01 33.14 1b2t s GLN 28 CO -0.00 -0.52 0.28 -0.65 0.00 0.00 0.00 175.29 174.40 1b2t s GLN 29 N -3.82 3.87 0.25 9.60 -0.21 -1.26 0.31 119.66 128.40 1b2t s GLN 29 Ca 0.39 0.13 -0.04 0.00 0.02 0.00 0.00 55.36 55.85 1b2t s GLN 29 Cb 0.05 -3.28 0.06 0.00 1.00 0.00 0.00 33.01 30.84 1b2t s GLN 29 CO 0.18 0.58 0.25 0.27 -2.12 0.00 0.00 175.29 174.45 1b2t n ASN 30 N 2.43 -0.91 -4.88 5.90 6.94 -1.24 -4.78 115.26 118.72 1b2t n ASN 30 Ca -0.15 -0.76 -0.37 0.00 -0.02 0.00 0.00 54.58 53.27 1b2t n ASN 30 Cb 0.53 -0.22 -0.06 0.00 -2.36 0.00 0.00 39.78 37.67 1b2t n ASN 30 CO 0.00 0.00 0.00 -1.10 -1.03 0.00 0.00 177.26 175.13 1b2t s GLN 31 N -3.57 3.43 0.00 -3.83 -0.21 -1.26 -4.97 119.66 109.25 1b2t s GLN 31 Ca 0.16 -0.13 0.19 0.00 0.02 0.00 0.00 55.36 55.59 1b2t s GLN 31 Cb -0.01 -3.18 1.01 0.00 1.00 0.00 0.00 33.01 31.82 1b2t s GLN 31 CO 0.12 0.78 1.58 0.00 -2.12 0.00 0.00 175.29 175.65 1b2t n ALA 32 N 1.99 2.06 -0.62 6.09 0.00 -1.26 -2.20 120.51 126.56 1b2t n ALA 32 Ca -0.20 -0.10 0.08 0.00 0.00 0.00 0.00 53.44 53.22 1b2t n ALA 32 Cb 0.55 -1.31 0.28 0.00 0.00 0.00 0.00 19.45 18.97 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 -1.22 4.11 -3.75 0.00 3.41 -1.26 -4.87 113.62 110.04 1b2t n SER 33 Ca 0.10 -2.51 -0.26 0.00 -0.26 0.00 0.00 58.87 55.94 1b2t n SER 33 Cb 0.13 -0.49 -0.17 0.00 -0.26 0.00 0.00 64.21 63.43 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 5.08 2.00 3.88 0.00 0.00 -1.26 -3.69 105.19 111.19 1b2t n GLY 35 Ca -0.09 -0.39 -0.31 0.00 0.00 0.00 0.00 46.02 45.24 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 3.76 -0.99 1.61 3.01 0.02 -4.88 119.74 122.27 1b2t s LYS 36 Ca 0.00 0.26 -0.24 0.00 -1.01 0.00 0.00 55.97 54.97 1b2t s LYS 36 Cb 0.00 -2.59 -0.08 0.00 -1.01 0.00 0.00 37.83 34.15 1b2t s LYS 36 CO 0.00 0.22 2.00 1.03 0.51 0.00 0.00 175.35 179.11 1b2t s ARG 37 N -3.22 2.35 0.00 1.68 0.52 -1.26 -4.62 118.95 114.40 1b2t s ARG 37 Ca 0.47 -0.49 0.00 0.00 -0.52 0.00 0.00 55.73 55.19 1b2t s ARG 37 Cb -0.11 -5.09 0.00 0.00 0.52 0.00 0.00 34.95 30.28 1b2t s ARG 37 CO 0.25 -3.82 0.00 0.00 0.02 0.00 0.00 175.30 171.75 1b2t n ALA 38 N 14.97 0.00 -2.49 2.13 0.00 -1.26 -4.83 120.51 129.03 1b2t n ALA 38 Ca 0.42 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.59 1b2t n ALA 38 Cb 0.46 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.81 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 1.21 2.75 -0.33 0.00 -1.09 -0.46 -3.68 121.20 119.60 1b2t s ILE 39 Ca 0.00 -1.82 -0.09 0.00 -2.23 0.00 0.00 60.65 56.50 1b2t s ILE 39 Cb 0.00 -2.33 0.01 0.00 -1.58 0.00 0.00 42.46 38.56 1b2t s ILE 39 CO 0.00 -0.09 0.16 -0.63 -1.23 0.00 0.00 174.94 173.14 1b2t s ILE 40 N -1.63 4.44 -0.21 2.92 -1.09 0.15 -0.35 121.20 125.42 1b2t s ILE 40 Ca 0.22 -0.66 -0.07 0.00 -2.23 0.00 0.00 60.65 57.92 1b2t s ILE 40 Cb -0.09 -3.36 -0.03 0.00 -1.58 0.00 0.00 42.46 37.41 1b2t s ILE 40 CO 0.12 -0.05 0.05 -0.76 -1.23 0.00 0.00 174.94 173.07 1b2t s LEU 41 N 1.56 3.51 -0.13 2.97 1.43 -0.71 -0.60 118.68 126.71 1b2t s LEU 41 Ca 0.03 -0.11 -0.01 0.00 -1.03 0.00 0.00 54.13 53.01 1b2t s LEU 41 Cb -0.18 -1.91 -0.02 0.00 0.03 0.00 0.00 46.19 44.11 1b2t s LEU 41 CO 0.06 0.07 -0.10 -0.70 0.23 0.00 0.00 176.35 175.90 1b2t s GLU 42 N 1.01 3.45 0.34 1.70 2.12 0.11 -2.10 118.70 125.33 1b2t s GLU 42 Ca 0.03 -0.63 0.07 0.00 0.36 0.00 0.00 54.97 54.81 1b2t s GLU 42 Cb -0.14 -2.72 -0.02 0.00 0.26 0.00 0.00 34.13 31.51 1b2t s GLU 42 CO 0.03 0.25 0.35 0.95 -0.54 0.00 0.00 175.26 176.29 1b2t s THR 43 N 0.29 3.58 -0.75 -1.70 -4.23 -0.63 -1.24 115.64 110.96 1b2t s THR 43 Ca -0.08 -1.26 0.11 0.00 -1.18 0.00 0.00 61.69 59.28 1b2t s THR 43 Cb -0.15 -3.22 0.11 0.00 1.34 0.00 0.00 72.50 70.58 1b2t s THR 43 CO 0.05 -0.15 1.34 -2.11 -0.54 0.00 0.00 174.62 173.20 1b2t n ARG 44 N -1.47 0.06 -0.93 3.99 1.85 -0.53 -1.25 116.66 118.38 1b2t n ARG 44 Ca -0.01 0.47 -0.07 0.00 -1.00 0.00 0.00 57.85 57.24 1b2t n ARG 44 Cb 0.59 -1.65 0.25 0.00 -1.05 0.00 0.00 32.46 30.61 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 -1.76 2.93 -3.56 2.89 3.00 -1.26 -4.92 117.38 114.69 1b2t n GLN 45 Ca 0.01 -3.06 -0.20 0.00 -0.01 0.00 0.00 57.00 53.73 1b2t n GLN 45 Cb 0.07 -2.07 0.07 0.00 0.00 0.00 0.00 30.24 28.31 1b2t n GLN 45 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.06 177.78 1b2t n HIS 46 N -0.61 -2.27 -3.58 1.08 8.25 -0.38 -4.96 115.22 112.75 1b2t n HIS 46 Ca 0.40 0.93 -0.41 0.00 -0.26 0.00 0.00 57.72 58.38 1b2t n HIS 46 Cb 1.30 -4.85 -0.10 0.00 1.12 0.00 0.00 29.99 27.45 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 -5.77 2.76 -0.42 -0.41 3.52 -1.23 -4.88 118.95 112.52 1b2t s ARG 47 Ca 0.16 -1.24 -0.08 0.00 -0.13 0.00 0.00 55.73 54.45 1b2t s ARG 47 Cb -0.07 -3.79 0.09 0.00 -1.56 0.00 0.00 34.95 29.61 1b2t s ARG 47 CO 0.76 -0.82 0.25 -0.51 -0.81 0.00 0.00 175.30 174.16 1b2t s LEU 48 N 1.52 5.15 0.01 -0.88 1.43 -1.25 -1.60 118.68 123.06 1b2t s LEU 48 Ca 0.02 -1.62 0.06 0.00 -1.03 0.00 0.00 54.13 51.57 1b2t s LEU 48 Cb -0.21 -1.95 -0.02 0.00 0.03 0.00 0.00 46.19 44.04 1b2t s LEU 48 CO 0.05 -0.54 -0.18 -0.36 0.23 0.00 0.00 176.35 175.55 1b2t s PHE 49 N 1.36 1.61 -0.57 0.29 0.08 -0.89 -4.95 117.98 114.91 1b2t s PHE 49 Ca 0.04 -0.33 -0.26 0.00 0.12 0.00 0.00 56.93 56.50 1b2t s PHE 49 Cb -0.23 -1.01 0.04 0.00 -0.57 0.00 0.00 43.02 41.25 1b2t s PHE 49 CO 0.01 0.01 1.04 0.00 -0.10 0.00 0.00 175.22 176.17 1b2t s ALA 51 N 4.34 3.04 0.29 0.00 0.00 0.52 -3.27 121.76 126.68 1b2t s ALA 51 Ca 0.35 -1.12 -0.30 0.00 0.00 0.00 0.00 51.96 50.89 1b2t s ALA 51 Cb -0.11 -1.93 -0.11 0.00 0.00 0.00 0.00 23.12 20.98 1b2t s ALA 51 CO 0.21 -0.43 1.50 0.34 0.00 0.00 0.00 175.76 177.39 1b2t s ASP 52 N 1.49 6.50 0.59 0.00 2.15 -1.26 -1.35 116.67 124.79 1b2t s ASP 52 Ca 0.06 2.83 0.29 0.00 0.43 0.00 0.00 52.55 56.16 1b2t s ASP 52 Cb -0.15 -2.63 1.68 0.00 -0.30 0.00 0.00 42.92 41.52 1b2t s ASP 52 CO 0.01 -0.80 2.12 -0.65 -0.17 0.00 0.00 175.17 175.68 1b2t h PRO 53 N 4.62 0.00 0.00 4.34 0.11 -1.91 -0.48 132.00 138.68 1b2t h PRO 53 Ca -0.47 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.58 1b2t h PRO 53 Cb 1.22 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 1b2t h PRO 53 CO 0.76 0.00 -0.27 0.87 -0.21 0.00 0.00 178.00 179.15 1b2t h LYS 54 N 0.00 0.00 -6.57 1.05 1.79 -1.98 -3.37 116.57 107.49 1b2t h LYS 54 Ca 0.07 0.00 -0.53 0.00 -2.18 0.00 0.00 60.65 58.02 1b2t h LYS 54 Cb 0.42 0.00 0.04 0.00 -1.58 0.00 0.00 32.23 31.11 1b2t h LYS 54 CO -0.00 0.27 0.86 -1.21 -1.08 0.00 0.00 179.45 178.28 1b2t s GLU 55 N -4.20 4.24 0.07 3.15 2.02 -0.19 -4.90 118.70 118.89 1b2t s GLU 55 Ca -0.03 2.29 -0.31 0.00 0.02 0.00 0.00 54.97 56.94 1b2t s GLU 55 Cb 0.14 -3.23 -0.15 0.00 0.10 0.00 0.00 34.13 30.99 1b2t s GLU 55 CO 0.68 -0.58 1.48 0.37 0.02 0.00 0.00 175.26 177.22 1b2t h GLN 56 N 6.98 -0.85 -0.48 1.61 -0.00 -1.87 -0.46 115.11 120.04 1b2t h GLN 56 Ca -0.42 0.06 0.14 0.00 -0.00 0.00 0.00 58.65 58.42 1b2t h GLN 56 Cb 1.20 0.19 -0.02 0.00 0.00 0.00 0.00 27.48 28.86 1b2t h GLN 56 CO 0.91 -0.57 0.86 0.11 0.00 0.00 0.00 178.83 180.14 1b2t h TRP 57 N -0.88 0.00 0.03 3.99 5.08 -1.96 0.24 115.95 122.46 1b2t h TRP 57 Ca -0.06 0.00 -0.22 0.00 1.08 0.00 0.00 58.89 59.69 1b2t h TRP 57 Cb 0.76 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 26.90 1b2t h TRP 57 CO -0.23 0.00 -1.19 0.28 -1.28 0.00 0.00 178.44 176.03 1b2t h VAL 58 N 0.00 1.03 -0.07 0.12 2.07 -1.54 -2.23 116.25 115.64 1b2t h VAL 58 Ca 0.23 -2.26 0.04 0.00 0.82 0.00 0.00 66.70 65.53 1b2t h VAL 58 Cb 1.95 2.50 -0.06 0.00 -1.52 0.00 0.00 31.29 34.17 1b2t h VAL 58 CO -0.00 0.48 -0.31 0.11 0.02 0.00 0.00 177.57 177.87 1b2t h LYS 59 N -0.76 -0.41 -0.34 1.57 1.57 0.99 0.30 116.57 119.49 1b2t h LYS 59 Ca -0.30 0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 58.44 1b2t h LYS 59 Cb 1.42 0.09 -0.01 0.00 0.08 0.00 0.00 32.23 33.81 1b2t h LYS 59 CO -0.10 -0.27 -0.04 0.22 -0.57 0.00 0.00 179.45 178.69 1b2t h ASP 60 N -0.42 0.63 -0.62 0.86 3.58 -1.47 -1.06 116.42 117.91 1b2t h ASP 60 Ca 0.08 -0.33 0.13 0.00 0.42 0.00 0.00 57.03 57.32 1b2t h ASP 60 Cb 0.54 -0.17 -0.10 0.00 1.72 0.00 0.00 39.33 41.33 1b2t h ASP 60 CO -0.31 0.81 0.08 0.00 -2.88 0.00 0.00 179.24 176.95 1b2t h ALA 61 N 0.84 0.70 0.25 -0.78 0.00 -0.77 0.30 119.26 119.79 1b2t h ALA 61 Ca 0.09 0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 1b2t h ALA 61 Cb 0.51 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1b2t h ALA 61 CO 0.02 -0.35 -0.12 0.52 0.00 0.00 0.00 179.25 179.33 1b2t h MET 62 N 0.20 -0.32 -0.16 0.00 2.86 -0.29 -2.54 114.93 114.67 1b2t h MET 62 Ca 0.33 0.02 0.05 0.00 -2.06 0.00 0.00 59.70 58.04 1b2t h MET 62 Cb 0.53 0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.25 1b2t h MET 62 CO -0.47 0.04 0.44 0.37 1.06 0.00 0.00 176.91 178.34 1b2t h GLN 63 N -0.76 0.00 0.17 1.72 4.15 -0.68 -1.66 115.11 118.06 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 0.50 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.19 1b2t h GLN 63 CO 0.06 0.00 -0.08 1.25 -1.93 0.00 0.00 178.83 178.12 1b2t h HIS 64 N 0.00 -0.21 -0.28 3.99 -0.00 -0.07 -3.20 115.15 115.38 1b2t h HIS 64 Ca 0.08 -0.01 0.05 0.00 -0.00 0.00 0.00 60.37 60.50 1b2t h HIS 64 Cb 0.95 0.07 -0.08 0.00 -0.00 0.00 0.00 27.41 28.35 1b2t h HIS 64 CO 0.00 -0.13 -0.46 -0.07 -0.00 0.00 0.00 177.93 177.27 1b2t h LEU 65 N -0.60 -1.48 -1.78 0.26 3.38 -0.93 0.33 115.31 114.49 1b2t h LEU 65 Ca -0.02 0.20 0.37 0.00 0.09 0.00 0.00 57.88 58.52 1b2t h LEU 65 Cb 0.18 0.62 -0.05 0.00 0.09 0.00 0.00 40.66 41.49 1b2t h LEU 65 CO 0.04 -0.41 1.04 0.44 0.09 0.00 0.00 178.44 179.64 1b2t h ASP 66 N -0.42 0.00 0.70 -0.43 3.32 -1.51 2.11 116.42 120.18 1b2t h ASP 66 Ca 0.10 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 56.98 1b2t h ASP 66 Cb 0.61 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.13 1b2t h ASP 66 CO -0.50 0.00 -1.42 -1.14 -1.72 0.00 0.00 179.24 174.46 1b2t n ARG 67 N -3.83 0.62 -0.09 3.56 3.00 0.95 -3.32 116.66 117.56 1b2t n ARG 67 Ca 0.28 0.23 -0.11 0.00 -0.00 0.00 0.00 57.85 58.24 1b2t n ARG 67 Cb 1.44 -1.81 -0.04 0.00 0.00 0.00 0.00 32.46 32.05 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 -2.89 0.51 0.02 -0.14 3.00 0.56 -4.30 117.38 114.14 1b2t n GLN 68 Ca -0.10 0.37 0.04 0.00 -0.01 0.00 0.00 57.00 57.31 1b2t n GLN 68 Cb 0.84 -1.57 0.20 0.00 0.00 0.00 0.00 30.24 29.72 1b2t n GLN 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1b2t n ALA 69 N -4.02 1.30 -0.33 -1.58 0.00 0.58 -3.24 120.51 113.22 1b2t n ALA 69 Ca -0.18 0.01 0.20 0.00 0.00 0.00 0.00 53.44 53.47 1b2t n ALA 69 Cb 0.48 -1.14 0.39 0.00 0.00 0.00 0.00 19.45 19.18 1b2t n ALA 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1b2t h ALA 70 N 2.20 1.54 0.00 0.00 0.00 -1.56 2.02 119.26 123.46 1b2t h ALA 70 Ca 0.00 0.29 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1b2t h ALA 70 Cb 0.12 0.44 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1b2t h ALA 70 CO 0.00 -0.67 0.26 0.00 0.00 0.00 0.00 179.25 178.84 1b2t h ALA 71 N 1.94 1.24 0.00 0.00 0.00 -1.86 -1.56 119.26 119.03 1b2t h ALA 71 Ca 0.68 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 55.45 1b2t h ALA 71 Cb 1.55 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.31 1b2t h ALA 71 CO -0.81 -0.24 -1.50 1.28 0.00 0.00 0.00 179.25 177.98 1b2t n LEU 72 N -2.66 1.42 -3.54 0.00 7.99 0.65 -4.87 117.00 115.99 1b2t n LEU 72 Ca -0.02 -0.02 -0.27 0.00 -0.01 0.00 0.00 56.01 55.69 1b2t n LEU 72 Cb 0.31 -0.06 -0.11 0.00 -0.11 0.00 0.00 43.42 43.45 1b2t n LEU 72 CO 0.12 0.40 -0.23 0.42 -1.51 0.00 0.00 177.39 176.59 1b2t s THR 73 N -2.18 1.10 0.00 -5.08 -4.23 0.96 -5.04 115.64 101.18 1b2t s THR 73 Ca -0.08 -3.12 0.00 0.00 -1.18 0.00 0.00 61.69 57.31 1b2t s THR 73 Cb 0.03 -1.75 0.00 0.00 1.34 0.00 0.00 72.50 72.12 1b2t s THR 73 CO 0.25 -1.16 0.26 0.54 -0.54 0.00 0.00 174.62 173.97 1b2t n ARG 74 N 2.60 0.00 -3.88 3.99 1.74 -0.67 -4.22 116.66 116.23 1b2t n ARG 74 Ca 0.27 0.15 -0.30 0.00 -0.77 0.00 0.00 57.85 57.20 1b2t n ARG 74 Cb 0.44 -0.76 -0.16 0.00 -1.02 0.00 0.00 32.46 30.96 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 -2.59 3.85 0.00 0.55 0.01 -1.26 -4.85 114.94 110.65 1b2t s ASN 75 Ca 0.00 -1.33 0.00 0.00 -0.71 0.00 0.00 52.86 50.82 1b2t s ASN 75 Cb 0.00 -1.08 0.00 0.00 0.41 0.00 0.00 41.25 40.58 1b2t s ASN 75 CO 0.00 -0.30 0.00 0.61 -1.51 0.00 0.00 177.10 175.90