#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 -4.59 -0.29 2.12 -0.06 -1.26 -3.76 117.38 109.54 1b2t n GLN 1 Ca 0.00 3.32 0.09 0.00 -2.00 0.00 0.00 57.00 58.41 1b2t n GLN 1 Cb 0.00 -3.57 0.22 0.00 -4.06 0.00 0.00 30.24 22.83 1b2t n GLN 1 CO 0.00 0.00 0.00 1.12 -0.20 0.00 0.00 177.06 177.98 1b2t h HIS 2 N 3.08 0.05 -2.94 3.69 2.07 -2.05 -3.32 115.15 115.73 1b2t h HIS 2 Ca 0.00 0.06 -0.58 0.00 -2.85 0.00 0.00 60.37 57.00 1b2t h HIS 2 Cb 0.00 0.11 -0.10 0.00 2.57 0.00 0.00 27.41 29.99 1b2t h HIS 2 CO 0.00 -0.28 0.81 -1.58 -3.07 0.00 0.00 177.93 173.81 1b2t s HIS 3 N -6.05 2.60 0.27 6.12 5.65 -1.26 -4.90 115.29 117.72 1b2t s HIS 3 Ca -0.13 0.05 0.00 0.00 0.25 0.00 0.00 55.06 55.23 1b2t s HIS 3 Cb 0.25 -4.37 0.00 0.00 -1.18 0.00 0.00 32.58 27.28 1b2t s HIS 3 CO 0.76 -1.63 0.00 0.41 -0.65 0.00 0.00 174.74 173.63 1b2t n GLY 4 N 5.18 -1.49 2.90 1.59 0.00 -1.25 -4.76 105.19 107.37 1b2t n GLY 4 Ca 0.04 -0.82 -0.30 0.00 0.00 0.00 0.00 46.02 44.93 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 -2.17 1.54 0.00 1.61 0.11 -1.25 -4.28 120.40 115.97 1b2t s VAL 5 Ca 0.00 -1.59 0.00 0.00 -2.93 0.00 0.00 61.98 57.46 1b2t s VAL 5 Cb 0.00 -2.01 0.00 0.00 -1.53 0.00 0.00 36.38 32.84 1b2t s VAL 5 CO 0.00 -0.41 0.00 0.35 -3.33 0.00 0.00 175.10 171.71 1b2t n THR 6 N 4.61 0.00 0.00 5.04 -2.24 -1.26 -5.09 114.28 115.34 1b2t n THR 6 Ca -0.04 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 1b2t n THR 6 Cb 0.43 -0.70 0.00 0.00 -2.10 0.00 0.00 70.33 67.96 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 -0.66 0.00 -3.53 -0.78 2.85 -1.26 -4.82 118.16 109.96 1b2t n LYS 7 Ca 0.00 0.00 -0.40 0.00 -1.05 0.00 0.00 58.31 56.86 1b2t n LYS 7 Cb 0.00 0.00 -0.11 0.00 -0.65 0.00 0.00 35.03 34.27 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 5.10 0.20 -3.65 0.00 6.94 -1.26 -3.05 115.26 119.54 1b2t n ASN 9 Ca -0.13 1.34 -0.29 0.00 -0.02 0.00 0.00 54.58 55.48 1b2t n ASN 9 Cb 0.49 -0.62 -0.14 0.00 -2.36 0.00 0.00 39.78 37.15 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 -5.33 0.74 -0.44 1.53 2.07 -1.26 -5.08 121.20 113.41 1b2t s ILE 10 Ca -0.08 -1.64 -0.11 0.00 -1.41 0.00 0.00 60.65 57.41 1b2t s ILE 10 Cb 0.27 -1.55 0.09 0.00 0.13 0.00 0.00 42.46 41.39 1b2t s ILE 10 CO 0.63 -0.79 0.31 -0.89 -1.91 0.00 0.00 174.94 172.29 1b2t s THR 11 N 1.29 4.49 -1.11 4.00 2.01 -1.17 -4.75 115.64 120.40 1b2t s THR 11 Ca 0.13 -1.40 -0.23 0.00 0.31 0.00 0.00 61.69 60.50 1b2t s THR 11 Cb -0.20 -3.77 -0.09 0.00 0.01 0.00 0.00 72.50 68.45 1b2t s THR 11 CO -0.16 -0.58 1.97 0.00 -0.69 0.00 0.00 174.62 175.15 1b2t h SER 13 N 10.30 0.00 -2.60 0.00 0.02 -1.93 -2.95 113.55 116.39 1b2t h SER 13 Ca 0.17 0.00 0.02 0.00 -0.84 0.00 0.00 61.79 61.13 1b2t h SER 13 Cb 0.96 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.50 1b2t h SER 13 CO 1.20 0.00 0.31 0.29 -1.14 0.00 0.00 176.83 177.48 1b2t n LYS 14 N -2.99 0.88 -3.78 3.45 4.76 -1.26 -5.00 118.16 114.22 1b2t n LYS 14 Ca 0.03 -1.76 -0.29 0.00 -2.87 0.00 0.00 58.31 53.42 1b2t n LYS 14 Cb 0.41 2.23 -0.04 0.00 -1.84 0.00 0.00 35.03 35.80 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 -2.07 3.51 0.00 1.97 -1.94 -1.26 -4.72 119.30 114.79 1b2t s MET 15 Ca 0.15 -0.35 0.00 0.00 -1.71 0.00 0.00 55.69 53.79 1b2t s MET 15 Cb -0.04 -2.91 0.00 0.00 2.01 0.00 0.00 34.83 33.89 1b2t s MET 15 CO 0.09 0.48 0.00 -2.37 -0.01 0.00 0.00 175.02 173.21 1b2t n THR 16 N -0.25 0.00 -3.43 2.05 5.66 -1.01 -5.01 114.28 112.30 1b2t n THR 16 Ca -0.05 0.00 -0.21 0.00 -3.05 0.00 0.00 64.05 60.74 1b2t n THR 16 Cb 0.53 -1.40 0.00 0.00 -1.55 0.00 0.00 70.33 67.91 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 -1.00 5.05 -0.07 1.09 1.04 -1.26 -4.94 113.70 113.62 1b2t s SER 17 Ca 0.00 -0.85 -0.30 0.00 0.48 0.00 0.00 55.95 55.29 1b2t s SER 17 Cb 0.00 -0.12 -0.04 0.00 0.10 0.00 0.00 66.02 65.96 1b2t s SER 17 CO 0.00 -0.95 1.42 -0.75 0.98 0.00 0.00 173.24 173.94 1b2t s LYS 18 N -4.34 4.24 -0.04 4.02 2.20 -1.26 -5.01 119.74 119.55 1b2t s LYS 18 Ca 0.49 1.92 0.07 0.00 -0.36 0.00 0.00 55.97 58.09 1b2t s LYS 18 Cb -0.05 -3.75 -0.01 0.00 -1.51 0.00 0.00 37.83 32.51 1b2t s LYS 18 CO 0.30 -0.69 -0.24 0.42 -0.36 0.00 0.00 175.35 174.78 1b2t s ILE 19 N 3.20 1.94 0.13 5.43 1.01 -1.26 -5.10 121.20 126.56 1b2t s ILE 19 Ca 0.63 -1.03 -0.34 0.00 0.00 0.00 0.00 60.65 59.92 1b2t s ILE 19 Cb -0.29 -1.63 -0.13 0.00 0.01 0.00 0.00 42.46 40.42 1b2t s ILE 19 CO 0.24 0.55 1.65 -2.65 0.00 0.00 0.00 174.94 174.72 1b2t n PRO 20 N 2.72 2.26 0.27 2.79 -0.02 -1.26 -4.86 135.00 136.90 1b2t n PRO 20 Ca -0.17 0.82 0.15 0.00 -2.02 0.00 0.00 63.50 62.28 1b2t n PRO 20 Cb 0.52 -2.61 0.78 0.00 -0.02 0.00 0.00 33.50 32.17 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 3.93 0.42 0.00 -1.45 3.04 -1.94 -1.92 116.25 118.33 1b2t h VAL 21 Ca -0.45 -0.46 0.00 0.00 -1.01 0.00 0.00 66.70 64.78 1b2t h VAL 21 Cb 1.25 1.32 0.00 0.00 -2.01 0.00 0.00 31.29 31.85 1b2t h VAL 21 CO 0.91 0.09 0.00 0.00 -1.01 0.00 0.00 177.57 177.55 1b2t n ALA 22 N -2.23 1.15 -0.02 3.17 0.00 -1.26 -1.16 120.51 120.16 1b2t n ALA 22 Ca -0.02 0.09 0.05 0.00 0.00 0.00 0.00 53.44 53.57 1b2t n ALA 22 Cb 0.23 -1.20 -0.13 0.00 0.00 0.00 0.00 19.45 18.35 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 -1.91 0.00 -4.77 0.00 4.77 -0.72 -4.98 117.00 109.39 1b2t n LEU 23 Ca -0.00 0.00 -0.39 0.00 -0.03 0.00 0.00 56.01 55.59 1b2t n LEU 23 Cb 0.06 0.07 -0.04 0.00 -2.33 0.00 0.00 43.42 41.18 1b2t n LEU 23 CO 0.08 0.07 0.79 -0.76 -1.33 0.00 0.00 177.39 176.24 1b2t s LEU 24 N -4.35 4.33 0.00 2.23 1.43 -0.31 -0.46 118.68 121.56 1b2t s LEU 24 Ca -0.06 2.23 0.00 0.00 -1.03 0.00 0.00 54.13 55.26 1b2t s LEU 24 Cb 0.10 -3.90 0.00 0.00 0.03 0.00 0.00 46.19 42.42 1b2t s LEU 24 CO 0.69 -0.39 0.00 2.30 0.23 0.00 0.00 176.35 179.17 1b2t n ILE 25 N 0.51 0.00 -3.56 -0.59 -5.35 -0.41 -4.74 119.36 105.23 1b2t n ILE 25 Ca 0.02 0.00 -0.16 0.00 -0.27 0.00 0.00 62.75 62.34 1b2t n ILE 25 Cb 0.47 -0.44 -0.06 0.00 -1.74 0.00 0.00 39.64 37.86 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 -1.82 -0.66 -0.14 4.28 2.46 -0.83 -5.00 115.29 113.58 1b2t s HIS 26 Ca 0.00 1.28 0.02 0.00 0.47 0.00 0.00 55.06 56.83 1b2t s HIS 26 Cb 0.00 0.38 0.01 0.00 -0.13 0.00 0.00 32.58 32.84 1b2t s HIS 26 CO 0.00 -0.52 -0.21 1.52 -2.47 0.00 0.00 174.74 173.06 1b2t s TYR 27 N -0.75 2.68 0.42 3.88 1.13 -1.26 -0.53 117.35 122.92 1b2t s TYR 27 Ca -0.07 -1.32 0.06 0.00 -1.41 0.00 0.00 57.07 54.33 1b2t s TYR 27 Cb -0.01 -1.83 0.06 0.00 -1.10 0.00 0.00 41.96 39.08 1b2t s TYR 27 CO 0.06 -0.60 0.47 1.04 -2.51 0.00 0.00 175.55 174.02 1b2t n GLN 28 N 4.08 0.78 -4.41 -3.49 6.02 -0.20 -4.92 117.38 115.24 1b2t n GLN 28 Ca -0.20 -2.38 -0.27 0.00 -0.01 0.00 0.00 57.00 54.14 1b2t n GLN 28 Cb 0.51 -0.00 -0.12 0.00 1.02 0.00 0.00 30.24 31.65 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 -3.82 1.46 0.31 -1.09 2.00 -1.26 0.09 119.66 117.36 1b2t s GLN 29 Ca 0.36 -1.47 -0.14 0.00 -2.00 0.00 0.00 55.36 52.12 1b2t s GLN 29 Cb -0.03 -1.82 -0.08 0.00 0.80 0.00 0.00 33.01 31.88 1b2t s GLN 29 CO 0.23 0.40 0.71 1.21 -0.50 0.00 0.00 175.29 177.34 1b2t s ASN 30 N -2.49 6.73 0.45 6.67 3.84 -0.93 -4.69 114.94 124.51 1b2t s ASN 30 Ca 0.18 1.21 -0.21 0.00 0.21 0.00 0.00 52.86 54.25 1b2t s ASN 30 Cb -0.08 -2.34 -0.09 0.00 -0.55 0.00 0.00 41.25 38.18 1b2t s ASN 30 CO 0.09 -0.20 1.01 -1.10 -2.79 0.00 0.00 177.10 174.11 1b2t s GLN 31 N -3.02 4.03 0.00 0.43 -1.52 -1.26 -4.79 119.66 113.53 1b2t s GLN 31 Ca 0.53 1.31 0.15 0.00 -1.95 0.00 0.00 55.36 55.40 1b2t s GLN 31 Cb -0.10 -2.23 0.68 0.00 -0.22 0.00 0.00 33.01 31.14 1b2t s GLN 31 CO 0.19 -0.22 1.44 0.00 -0.25 0.00 0.00 175.29 176.45 1b2t n ALA 32 N -0.64 1.75 -2.41 6.09 0.00 -1.26 -2.66 120.51 121.38 1b2t n ALA 32 Ca 0.07 -0.06 -0.07 0.00 0.00 0.00 0.00 53.44 53.38 1b2t n ALA 32 Cb 0.52 -1.24 0.05 0.00 0.00 0.00 0.00 19.45 18.79 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 -1.40 2.65 -2.63 0.00 3.41 -1.26 -4.82 113.62 109.57 1b2t n SER 33 Ca 0.05 -2.77 -0.10 0.00 -0.26 0.00 0.00 58.87 55.79 1b2t n SER 33 Cb 0.15 -0.42 0.03 0.00 -0.26 0.00 0.00 64.21 63.71 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 -0.37 1.09 3.70 0.00 0.00 -1.26 -2.66 105.19 105.69 1b2t n GLY 35 Ca 0.16 -1.59 -0.41 0.00 0.00 0.00 0.00 46.02 44.18 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 4.43 -0.82 1.61 3.01 -1.12 -4.93 119.74 121.92 1b2t s LYS 36 Ca 0.00 1.07 -0.26 0.00 -1.01 0.00 0.00 55.97 55.78 1b2t s LYS 36 Cb 0.00 -3.48 -0.12 0.00 -1.01 0.00 0.00 37.83 33.21 1b2t s LYS 36 CO 0.00 -0.07 2.31 -0.98 0.51 0.00 0.00 175.35 177.12 1b2t s ARG 37 N 1.22 1.77 0.00 1.68 1.70 -1.26 -4.61 118.95 119.45 1b2t s ARG 37 Ca 0.42 0.31 0.00 0.00 -0.47 0.00 0.00 55.73 55.99 1b2t s ARG 37 Cb -0.18 -4.84 0.00 0.00 -0.57 0.00 0.00 34.95 29.35 1b2t s ARG 37 CO 0.19 -4.28 0.00 0.00 -1.08 0.00 0.00 175.30 170.13 1b2t n ALA 38 N 17.82 0.00 -2.62 7.88 0.00 -1.26 -4.97 120.51 137.36 1b2t n ALA 38 Ca 0.45 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 -0.08 0.00 0.00 0.00 0.00 19.45 19.80 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 0.24 3.48 -0.04 0.00 -1.09 -0.76 -2.20 121.20 120.82 1b2t s ILE 39 Ca 0.00 -1.54 -0.01 0.00 -2.23 0.00 0.00 60.65 56.87 1b2t s ILE 39 Cb 0.00 -2.74 -0.04 0.00 -1.58 0.00 0.00 42.46 38.11 1b2t s ILE 39 CO 0.00 -0.11 0.05 -0.63 -1.23 0.00 0.00 174.94 173.02 1b2t s ILE 40 N -1.73 4.63 -0.17 2.92 -1.09 0.11 -1.30 121.20 124.58 1b2t s ILE 40 Ca 0.26 -0.30 0.00 0.00 -2.23 0.00 0.00 60.65 58.39 1b2t s ILE 40 Cb -0.09 -3.04 0.04 0.00 -1.58 0.00 0.00 42.46 37.78 1b2t s ILE 40 CO 0.17 0.47 -0.10 -0.76 -1.23 0.00 0.00 174.94 173.49 1b2t s LEU 41 N -1.35 1.89 -0.18 2.97 1.43 -0.31 -1.04 118.68 122.09 1b2t s LEU 41 Ca 0.18 -0.68 -0.02 0.00 -1.03 0.00 0.00 54.13 52.58 1b2t s LEU 41 Cb -0.12 -1.12 -0.01 0.00 0.03 0.00 0.00 46.19 44.97 1b2t s LEU 41 CO 0.08 -0.13 -0.08 -0.70 0.23 0.00 0.00 176.35 175.76 1b2t s GLU 42 N 1.49 3.39 0.33 1.70 2.12 0.31 -2.02 118.70 126.02 1b2t s GLU 42 Ca 0.01 -0.64 0.07 0.00 0.36 0.00 0.00 54.97 54.77 1b2t s GLU 42 Cb -0.15 -2.86 -0.02 0.00 0.26 0.00 0.00 34.13 31.36 1b2t s GLU 42 CO -0.09 -0.03 0.32 0.95 -0.54 0.00 0.00 175.26 175.87 1b2t s THR 43 N 1.01 3.73 -0.41 -1.70 -4.23 -0.66 -1.29 115.64 112.09 1b2t s THR 43 Ca -0.00 -1.30 0.16 0.00 -1.18 0.00 0.00 61.69 59.37 1b2t s THR 43 Cb -0.15 -3.25 0.16 0.00 1.34 0.00 0.00 72.50 70.60 1b2t s THR 43 CO -0.01 -0.19 1.49 -2.11 -0.54 0.00 0.00 174.62 173.27 1b2t n ARG 44 N -1.41 0.10 -1.13 3.99 1.85 0.39 -1.06 116.66 119.40 1b2t n ARG 44 Ca -0.02 0.60 -0.19 0.00 -1.00 0.00 0.00 57.85 57.24 1b2t n ARG 44 Cb 0.59 -1.84 0.18 0.00 -1.05 0.00 0.00 32.46 30.34 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 -2.06 2.17 -3.72 2.89 6.02 -1.26 -4.91 117.38 116.51 1b2t n GLN 45 Ca -0.01 -3.11 -0.22 0.00 -0.01 0.00 0.00 57.00 53.65 1b2t n GLN 45 Cb 0.03 -2.08 0.03 0.00 1.02 0.00 0.00 30.24 29.24 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 -1.12 -1.94 -3.54 1.08 8.25 -0.22 -4.95 115.22 112.78 1b2t n HIS 46 Ca 0.52 0.84 -0.41 0.00 -0.26 0.00 0.00 57.72 58.41 1b2t n HIS 46 Cb 1.41 -4.36 -0.09 0.00 1.12 0.00 0.00 29.99 28.07 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 -6.03 2.71 -0.33 -0.41 3.52 -1.22 -4.88 118.95 112.32 1b2t s ARG 47 Ca 0.05 -1.43 -0.06 0.00 -0.13 0.00 0.00 55.73 54.16 1b2t s ARG 47 Cb -0.02 -3.88 0.04 0.00 -1.56 0.00 0.00 34.95 29.52 1b2t s ARG 47 CO 0.81 -0.97 0.09 -0.51 -0.81 0.00 0.00 175.30 173.91 1b2t s LEU 48 N 1.49 4.20 0.10 -0.88 1.43 -1.22 -1.66 118.68 122.13 1b2t s LEU 48 Ca 0.03 -1.10 0.04 0.00 -1.03 0.00 0.00 54.13 52.07 1b2t s LEU 48 Cb -0.23 -1.85 -0.04 0.00 0.03 0.00 0.00 46.19 44.10 1b2t s LEU 48 CO 0.03 -0.30 -0.10 -0.36 0.23 0.00 0.00 176.35 175.85 1b2t s PHE 49 N 1.40 1.06 -0.58 0.29 0.40 -0.86 -4.94 117.98 114.75 1b2t s PHE 49 Ca -0.02 -0.67 -0.18 0.00 -0.60 0.00 0.00 56.93 55.47 1b2t s PHE 49 Cb -0.19 -0.58 0.11 0.00 0.51 0.00 0.00 43.02 42.87 1b2t s PHE 49 CO 0.02 -0.00 0.64 0.00 0.70 0.00 0.00 175.22 176.58 1b2t s ALA 51 N 2.30 3.43 0.29 0.00 0.00 -0.42 -2.41 121.76 124.96 1b2t s ALA 51 Ca 0.09 -0.77 -0.29 0.00 0.00 0.00 0.00 51.96 50.98 1b2t s ALA 51 Cb -0.26 -1.59 -0.10 0.00 0.00 0.00 0.00 23.12 21.18 1b2t s ALA 51 CO 0.05 0.60 1.20 0.34 0.00 0.00 0.00 175.76 177.95 1b2t s ASP 52 N -0.96 7.04 0.09 0.00 2.15 -1.26 -1.83 116.67 121.91 1b2t s ASP 52 Ca 0.14 2.45 0.13 0.00 0.43 0.00 0.00 52.55 55.70 1b2t s ASP 52 Cb -0.11 -2.63 0.57 0.00 -0.30 0.00 0.00 42.92 40.44 1b2t s ASP 52 CO 0.03 -0.33 1.39 -0.81 -0.17 0.00 0.00 175.17 175.28 1b2t n PRO 53 N 1.14 0.06 0.20 4.34 -0.04 -1.26 -1.75 135.00 137.69 1b2t n PRO 53 Ca -0.00 0.42 0.13 0.00 -0.04 0.00 0.00 63.50 64.01 1b2t n PRO 53 Cb 0.43 -1.64 0.33 0.00 -0.04 0.00 0.00 33.50 32.59 1b2t n PRO 53 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 1b2t h LYS 54 N 0.00 0.00 -6.56 0.54 1.57 -2.00 -3.42 116.57 106.70 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 0.15 0.00 0.03 0.00 0.08 0.00 0.00 32.23 32.49 1b2t h LYS 54 CO 0.00 0.00 0.78 -1.21 -0.57 0.00 0.00 179.45 178.45 1b2t s GLU 55 N -3.28 4.28 0.09 3.15 2.02 -0.71 -4.94 118.70 119.30 1b2t s GLU 55 Ca 0.06 2.17 -0.34 0.00 0.02 0.00 0.00 54.97 56.89 1b2t s GLU 55 Cb 0.07 -3.23 -0.16 0.00 0.10 0.00 0.00 34.13 30.91 1b2t s GLU 55 CO 0.61 -0.50 1.59 0.37 0.02 0.00 0.00 175.26 177.36 1b2t h GLN 56 N 6.85 -0.88 0.00 1.61 -0.00 -1.90 -1.57 115.11 119.23 1b2t h GLN 56 Ca -0.42 0.06 0.00 0.00 -0.00 0.00 0.00 58.65 58.29 1b2t h GLN 56 Cb 1.21 0.20 0.00 0.00 0.00 0.00 0.00 27.48 28.89 1b2t h GLN 56 CO 0.88 -0.59 0.42 0.11 0.00 0.00 0.00 178.83 179.66 1b2t h TRP 57 N -0.91 0.00 0.13 3.99 5.08 -1.97 0.12 115.95 122.39 1b2t h TRP 57 Ca -0.06 0.00 -0.34 0.00 1.08 0.00 0.00 58.89 59.57 1b2t h TRP 57 Cb 0.78 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.93 1b2t h TRP 57 CO -0.17 0.00 -1.82 0.28 -1.28 0.00 0.00 178.44 175.44 1b2t h VAL 58 N 0.00 0.82 -0.11 0.12 2.07 -1.63 -2.00 116.25 115.52 1b2t h VAL 58 Ca 0.00 -2.50 -0.01 0.00 0.82 0.00 0.00 66.70 65.01 1b2t h VAL 58 Cb 0.84 2.61 -0.00 0.00 -1.52 0.00 0.00 31.29 33.21 1b2t h VAL 58 CO 0.00 0.83 0.03 0.11 0.02 0.00 0.00 177.57 178.56 1b2t h LYS 59 N 0.07 0.17 -0.11 1.57 1.57 -0.35 -2.11 116.57 117.38 1b2t h LYS 59 Ca -0.36 -0.04 -0.11 0.00 -1.87 0.00 0.00 60.65 58.27 1b2t h LYS 59 Cb 2.05 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 34.34 1b2t h LYS 59 CO 0.12 0.34 -0.37 -0.44 -0.57 0.00 0.00 179.45 178.53 1b2t h ASP 60 N -0.03 0.52 -1.01 0.86 3.32 -1.62 -2.59 116.42 115.87 1b2t h ASP 60 Ca 0.03 -0.61 0.26 0.00 0.02 0.00 0.00 57.03 56.73 1b2t h ASP 60 Cb 0.24 -0.15 -0.13 0.00 0.22 0.00 0.00 39.33 39.51 1b2t h ASP 60 CO -0.00 1.04 0.60 0.00 -1.72 0.00 0.00 179.24 179.16 1b2t h ALA 61 N 0.49 1.86 0.38 3.45 0.00 -1.34 0.14 119.26 124.24 1b2t h ALA 61 Ca -0.02 0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1b2t h ALA 61 Cb 1.00 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1b2t h ALA 61 CO 0.08 -0.35 -0.18 0.52 0.00 0.00 0.00 179.25 179.32 1b2t h MET 62 N 0.53 -0.49 -1.11 0.00 2.86 -1.33 -2.32 114.93 113.06 1b2t h MET 62 Ca 0.66 0.03 0.32 0.00 -2.06 0.00 0.00 59.70 58.65 1b2t h MET 62 Cb 1.32 0.11 -0.04 0.00 0.06 0.00 0.00 31.60 33.05 1b2t h MET 62 CO -0.48 -0.33 1.01 0.37 1.06 0.00 0.00 176.91 178.54 1b2t h GLN 63 N -1.01 0.00 0.10 1.72 4.15 -0.97 0.66 115.11 119.76 1b2t h GLN 63 Ca -0.05 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.36 1b2t h GLN 63 Cb 0.39 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.08 1b2t h GLN 63 CO 0.09 0.00 -0.05 1.25 -1.93 0.00 0.00 178.83 178.19 1b2t h HIS 64 N 0.00 -0.13 0.00 3.99 2.76 -0.66 -2.77 115.15 118.34 1b2t h HIS 64 Ca 0.53 -0.00 -0.06 0.00 -2.20 0.00 0.00 60.37 58.64 1b2t h HIS 64 Cb 2.54 0.04 -0.01 0.00 1.55 0.00 0.00 27.41 31.53 1b2t h HIS 64 CO 0.00 0.38 -0.27 -0.07 -1.30 0.00 0.00 177.93 176.67 1b2t h LEU 65 N -0.79 0.00 0.75 0.26 3.38 0.63 -2.92 115.31 116.62 1b2t h LEU 65 Ca -0.01 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 1b2t h LEU 65 Cb 0.57 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.32 1b2t h LEU 65 CO 0.02 0.27 -0.36 0.44 0.09 0.00 0.00 178.44 178.90 1b2t h ASP 66 N 0.00 -0.86 -1.39 -0.43 3.32 -0.22 -2.29 116.42 114.56 1b2t h ASP 66 Ca -0.00 0.03 -0.61 0.00 0.02 0.00 0.00 57.03 56.47 1b2t h ASP 66 Cb 0.50 0.22 -0.20 0.00 0.22 0.00 0.00 39.33 40.07 1b2t h ASP 66 CO 0.04 -0.55 0.77 0.54 -1.72 0.00 0.00 179.24 178.32 1b2t n ARG 67 N -5.08 2.81 0.11 3.56 3.00 -1.05 -4.17 116.66 115.84 1b2t n ARG 67 Ca -0.13 -2.87 0.00 0.00 -0.01 0.00 0.00 57.85 54.85 1b2t n ARG 67 Cb 0.40 -2.23 0.00 0.00 0.00 0.00 0.00 32.46 30.62 1b2t n ARG 67 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.63 178.57 1b2t n GLN 68 N 0.51 0.00 -0.31 5.56 7.27 -1.11 -4.80 117.38 124.50 1b2t n GLN 68 Ca 0.51 0.00 -0.02 0.00 0.07 0.00 0.00 57.00 57.56 1b2t n GLN 68 Cb 0.42 0.00 0.10 0.00 2.41 0.00 0.00 30.24 33.18 1b2t n GLN 68 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1b2t h ALA 69 N 0.00 1.11 -0.18 1.69 0.00 -1.58 -2.31 119.26 117.99 1b2t h ALA 69 Ca 0.00 -0.04 -0.17 0.00 0.00 0.00 0.00 54.91 54.70 1b2t h ALA 69 Cb 0.00 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.49 1b2t h ALA 69 CO 0.00 0.39 -0.58 0.00 0.00 0.00 0.00 179.25 179.06 1b2t h ALA 70 N 1.35 0.65 0.00 0.00 0.00 -1.74 0.25 119.26 119.76 1b2t h ALA 70 Ca 0.33 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1b2t h ALA 70 Cb -0.01 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1b2t h ALA 70 CO -0.11 0.70 0.00 0.00 0.00 0.00 0.00 179.25 179.84 1b2t n ALA 71 N -2.53 1.10 -0.03 0.00 0.00 -0.89 -2.85 120.51 115.31 1b2t n ALA 71 Ca -0.04 0.12 -0.06 0.00 0.00 0.00 0.00 53.44 53.46 1b2t n ALA 71 Cb 0.63 -1.21 -0.03 0.00 0.00 0.00 0.00 19.45 18.84 1b2t n ALA 71 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1b2t n LEU 72 N -1.97 1.20 -3.54 0.00 7.94 -1.08 -4.96 117.00 114.60 1b2t n LEU 72 Ca -0.01 0.05 -0.29 0.00 -1.11 0.00 0.00 56.01 54.65 1b2t n LEU 72 Cb 0.04 -0.20 -0.13 0.00 0.53 0.00 0.00 43.42 43.66 1b2t n LEU 72 CO 0.07 0.27 -0.30 0.42 -1.11 0.00 0.00 177.39 176.74 1b2t s THR 73 N -2.12 0.46 -0.52 1.96 -4.23 0.84 -5.09 115.64 106.94 1b2t s THR 73 Ca -0.09 -1.80 -0.27 0.00 -1.18 0.00 0.00 61.69 58.35 1b2t s THR 73 Cb 0.03 -1.34 -0.03 0.00 1.34 0.00 0.00 72.50 72.50 1b2t s THR 73 CO 0.12 -0.93 1.99 -0.13 -0.54 0.00 0.00 174.62 175.14 1b2t s ARG 74 N 1.03 2.64 0.16 3.99 0.52 -1.13 -4.25 118.95 121.91 1b2t s ARG 74 Ca 0.17 1.00 0.00 0.00 -0.52 0.00 0.00 55.73 56.37 1b2t s ARG 74 Cb -0.22 -4.40 0.00 0.00 0.52 0.00 0.00 34.95 30.84 1b2t s ARG 74 CO -0.04 -2.69 0.00 -1.71 0.02 0.00 0.00 175.30 170.88 1b2t n ASN 75 N 13.05 0.63 0.00 0.23 2.85 -1.26 -5.09 115.26 125.67 1b2t n ASN 75 Ca 0.25 0.26 0.00 0.00 -0.11 0.00 0.00 54.58 54.98 1b2t n ASN 75 Cb 0.52 -0.07 0.00 0.00 1.24 0.00 0.00 39.78 41.47 1b2t n ASN 75 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76