#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 2.20 -0.97 2.12 6.02 -1.26 -4.50 117.38 120.98 1b2t n GLN 1 Ca 0.00 -2.93 0.04 0.00 -0.01 0.00 0.00 57.00 54.10 1b2t n GLN 1 Cb 0.00 -1.76 0.05 0.00 1.02 0.00 0.00 30.24 29.55 1b2t n GLN 1 CO 0.00 0.00 0.00 -2.39 -1.01 0.00 0.00 177.06 173.66 1b2t n HIS 2 N -0.92 0.00 -1.46 1.08 1.44 -1.26 -4.96 115.22 109.14 1b2t n HIS 2 Ca 0.24 -0.52 -0.16 0.00 -2.01 0.00 0.00 57.72 55.27 1b2t n HIS 2 Cb 0.88 -0.13 -0.07 0.00 0.12 0.00 0.00 29.99 30.79 1b2t n HIS 2 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 1b2t n HIS 3 N -0.01 -0.22 -3.85 -1.40 8.25 -1.26 -4.92 115.22 111.82 1b2t n HIS 3 Ca 0.07 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.41 1b2t n HIS 3 Cb 0.92 -2.92 -0.12 0.00 1.12 0.00 0.00 29.99 28.98 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 -2.37 -0.04 -0.28 -1.41 0.00 -1.26 -5.13 107.32 96.83 1b2t s GLY 4 Ca 0.00 0.18 0.01 0.00 0.00 0.00 0.00 44.72 44.91 1b2t s GLY 4 CO 0.00 0.11 0.02 0.54 0.00 0.00 0.00 173.10 173.76 1b2t s VAL 5 N -0.37 1.51 0.00 1.40 0.11 -1.26 -4.41 120.40 117.39 1b2t s VAL 5 Ca -0.04 -1.53 0.00 0.00 -2.93 0.00 0.00 61.98 57.47 1b2t s VAL 5 Cb -0.03 -1.96 0.00 0.00 -1.53 0.00 0.00 36.38 32.86 1b2t s VAL 5 CO 0.00 -0.39 0.00 0.35 -3.33 0.00 0.00 175.10 171.74 1b2t n THR 6 N 4.62 0.00 -1.63 5.04 -2.24 -1.26 -5.07 114.28 113.74 1b2t n THR 6 Ca -0.05 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 1b2t n THR 6 Cb 0.43 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.66 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 -3.37 -0.78 4.81 -1.26 -4.95 118.16 112.61 1b2t n LYS 7 Ca 0.00 0.00 -0.14 0.00 -0.87 0.00 0.00 58.31 57.30 1b2t n LYS 7 Cb 0.00 -1.81 -0.08 0.00 0.02 0.00 0.00 35.03 33.16 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 5.33 0.25 -3.79 0.00 6.94 -1.26 -3.81 115.26 118.92 1b2t n ASN 9 Ca -0.01 1.23 -0.23 0.00 -0.02 0.00 0.00 54.58 55.55 1b2t n ASN 9 Cb 0.48 -0.60 -0.17 0.00 -2.36 0.00 0.00 39.78 37.12 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 -5.11 0.45 -0.28 1.53 2.07 -1.26 -5.12 121.20 113.47 1b2t s ILE 10 Ca -0.07 0.07 -0.08 0.00 -1.41 0.00 0.00 60.65 59.16 1b2t s ILE 10 Cb 0.25 -0.58 -0.02 0.00 0.13 0.00 0.00 42.46 42.25 1b2t s ILE 10 CO 0.59 0.27 0.11 0.28 -1.91 0.00 0.00 174.94 174.28 1b2t s THR 11 N 1.85 4.44 -1.46 4.00 -1.32 -1.25 -4.85 115.64 117.05 1b2t s THR 11 Ca 0.04 -0.32 -0.10 0.00 -1.21 0.00 0.00 61.69 60.09 1b2t s THR 11 Cb -0.12 -3.18 -0.07 0.00 -1.51 0.00 0.00 72.50 67.62 1b2t s THR 11 CO -0.05 0.19 2.68 0.00 -2.21 0.00 0.00 174.62 175.23 1b2t h SER 13 N 5.46 0.00 -5.07 0.00 4.64 -1.87 0.42 113.55 117.13 1b2t h SER 13 Ca 0.76 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 62.02 1b2t h SER 13 Cb 0.33 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 62.29 1b2t h SER 13 CO 1.76 0.27 -0.07 -1.59 -0.87 0.00 0.00 176.83 176.33 1b2t s LYS 14 N -3.50 1.07 0.38 4.77 0.00 -1.26 -4.86 119.74 116.34 1b2t s LYS 14 Ca 0.01 -0.70 -0.02 0.00 0.00 0.00 0.00 55.97 55.26 1b2t s LYS 14 Cb 0.09 0.47 -0.04 0.00 0.00 0.00 0.00 37.83 38.36 1b2t s LYS 14 CO 0.66 -0.42 0.62 -1.64 0.00 0.00 0.00 175.35 174.57 1b2t s MET 15 N -3.80 3.53 0.00 1.78 -1.94 -1.26 -4.61 119.30 113.00 1b2t s MET 15 Ca 0.03 -0.11 0.00 0.00 -1.71 0.00 0.00 55.69 53.90 1b2t s MET 15 Cb 0.02 -2.57 0.00 0.00 2.01 0.00 0.00 34.83 34.28 1b2t s MET 15 CO -0.12 0.06 0.00 -2.37 -0.01 0.00 0.00 175.02 172.58 1b2t n THR 16 N -1.76 0.00 -3.49 2.05 5.66 -1.17 -5.03 114.28 110.54 1b2t n THR 16 Ca -0.03 0.00 -0.20 0.00 -3.05 0.00 0.00 64.05 60.77 1b2t n THR 16 Cb 0.55 -0.70 -0.02 0.00 -1.55 0.00 0.00 70.33 68.61 1b2t n THR 16 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 1b2t s SER 17 N -0.88 5.30 0.93 1.09 0.01 -1.26 -5.00 113.70 113.89 1b2t s SER 17 Ca 0.00 -0.58 -0.14 0.00 1.31 0.00 0.00 55.95 56.54 1b2t s SER 17 Cb 0.00 -0.72 0.00 0.00 0.21 0.00 0.00 66.02 65.51 1b2t s SER 17 CO 0.00 -0.60 0.28 1.17 0.41 0.00 0.00 173.24 174.50 1b2t n LYS 18 N -1.58 -0.18 -3.66 12.44 4.81 -1.26 -5.03 118.16 123.69 1b2t n LYS 18 Ca 0.03 -0.02 -0.13 0.00 -0.87 0.00 0.00 58.31 57.33 1b2t n LYS 18 Cb 0.60 -1.75 -0.08 0.00 0.02 0.00 0.00 35.03 33.82 1b2t n LYS 18 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 1b2t s ILE 19 N -2.29 -0.00 0.10 3.15 1.01 -1.26 -5.13 121.20 116.77 1b2t s ILE 19 Ca 0.56 0.00 -0.31 0.00 0.00 0.00 0.00 60.65 60.91 1b2t s ILE 19 Cb -0.23 -0.86 -0.10 0.00 0.01 0.00 0.00 42.46 41.28 1b2t s ILE 19 CO 0.68 0.00 1.87 -2.84 0.00 0.00 0.00 174.94 174.65 1b2t s PRO 20 N 0.50 4.14 0.63 2.79 0.02 -1.26 -4.85 135.00 136.98 1b2t s PRO 20 Ca -0.01 2.60 0.33 0.00 0.02 0.00 0.00 61.00 63.94 1b2t s PRO 20 Cb -0.05 -3.76 1.82 0.00 0.02 0.00 0.00 34.50 32.54 1b2t s PRO 20 CO -0.02 -0.88 2.09 -0.24 -0.33 0.00 0.00 177.00 177.63 1b2t h VAL 21 N 4.97 0.19 0.00 3.83 3.04 -1.94 0.12 116.25 126.46 1b2t h VAL 21 Ca -0.47 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.22 1b2t h VAL 21 Cb 1.22 0.80 0.00 0.00 -2.01 0.00 0.00 31.29 31.31 1b2t h VAL 21 CO 0.95 0.00 0.00 0.00 -1.01 0.00 0.00 177.57 177.51 1b2t n ALA 22 N -2.12 1.28 -0.02 3.17 0.00 -1.26 -1.41 120.51 120.15 1b2t n ALA 22 Ca -0.00 -0.01 0.06 0.00 0.00 0.00 0.00 53.44 53.49 1b2t n ALA 22 Cb 0.31 -1.11 -0.13 0.00 0.00 0.00 0.00 19.45 18.52 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 -1.53 0.00 -4.73 0.00 7.99 0.42 -4.92 117.00 114.23 1b2t n LEU 23 Ca 0.01 0.00 -0.41 0.00 -0.01 0.00 0.00 56.01 55.60 1b2t n LEU 23 Cb 0.07 0.05 -0.04 0.00 -0.11 0.00 0.00 43.42 43.40 1b2t n LEU 23 CO 0.06 0.05 0.82 -0.76 -1.51 0.00 0.00 177.39 176.05 1b2t s LEU 24 N -4.31 4.44 0.00 2.23 1.43 -0.50 0.34 118.68 122.31 1b2t s LEU 24 Ca -0.06 2.05 0.00 0.00 -1.03 0.00 0.00 54.13 55.09 1b2t s LEU 24 Cb 0.10 -3.59 0.00 0.00 0.03 0.00 0.00 46.19 42.73 1b2t s LEU 24 CO 0.70 -0.31 0.00 2.30 0.23 0.00 0.00 176.35 179.27 1b2t n ILE 25 N 2.92 0.00 -3.53 -0.59 -5.35 0.82 -4.77 119.36 108.86 1b2t n ILE 25 Ca 0.05 0.00 -0.17 0.00 -0.27 0.00 0.00 62.75 62.36 1b2t n ILE 25 Cb 0.46 -0.78 -0.06 0.00 -1.74 0.00 0.00 39.64 37.53 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 -1.90 -0.61 0.04 4.28 3.76 -0.85 -4.97 115.29 115.04 1b2t s HIS 26 Ca 0.00 0.99 0.03 0.00 -0.15 0.00 0.00 55.06 55.93 1b2t s HIS 26 Cb 0.00 0.40 -0.02 0.00 1.11 0.00 0.00 32.58 34.07 1b2t s HIS 26 CO 0.00 -0.62 -0.09 1.52 -0.85 0.00 0.00 174.74 174.71 1b2t s TYR 27 N -1.44 0.74 0.39 1.40 -0.85 -1.26 0.14 117.35 116.47 1b2t s TYR 27 Ca -0.10 -0.40 0.05 0.00 -0.52 0.00 0.00 57.07 56.10 1b2t s TYR 27 Cb -0.00 -0.44 -0.02 0.00 0.38 0.00 0.00 41.96 41.87 1b2t s TYR 27 CO 0.07 -0.04 0.18 1.14 -1.52 0.00 0.00 175.55 175.38 1b2t s GLN 28 N -1.27 1.91 -0.04 -3.49 0.00 0.21 -4.98 119.66 111.99 1b2t s GLN 28 Ca -0.06 -2.15 0.01 0.00 -0.00 0.00 0.00 55.36 53.16 1b2t s GLN 28 Cb -0.08 -0.29 -0.03 0.00 0.00 0.00 0.00 33.01 32.60 1b2t s GLN 28 CO 0.01 -0.56 -0.06 -1.14 0.00 0.00 0.00 175.29 173.53 1b2t s GLN 29 N -3.60 2.70 1.00 9.60 0.74 -1.26 -0.74 119.66 128.10 1b2t s GLN 29 Ca 0.28 -0.60 -0.14 0.00 0.05 0.00 0.00 55.36 54.95 1b2t s GLN 29 Cb 0.02 -2.58 0.19 0.00 1.10 0.00 0.00 33.01 31.74 1b2t s GLN 29 CO 0.19 0.65 1.13 1.21 -0.55 0.00 0.00 175.29 177.92 1b2t s ASN 30 N -1.04 2.68 -0.11 6.67 2.47 -1.22 -4.85 114.94 119.53 1b2t s ASN 30 Ca 0.14 0.90 0.01 0.00 0.42 0.00 0.00 52.86 54.33 1b2t s ASN 30 Cb -0.11 -1.39 -0.02 0.00 -1.45 0.00 0.00 41.25 38.28 1b2t s ASN 30 CO 0.04 -3.06 -0.13 -1.10 -3.72 0.00 0.00 177.10 169.12 1b2t s GLN 31 N -5.26 3.21 -1.00 0.43 -0.21 -1.26 -4.97 119.66 110.59 1b2t s GLN 31 Ca 0.67 -0.68 -0.27 0.00 0.02 0.00 0.00 55.36 55.10 1b2t s GLN 31 Cb -0.14 -2.58 -0.21 0.00 1.00 0.00 0.00 33.01 31.08 1b2t s GLN 31 CO 0.55 0.30 2.20 0.00 -2.12 0.00 0.00 175.29 176.23 1b2t s ALA 32 N 0.12 0.47 0.00 6.09 0.00 -1.26 -2.03 121.76 125.15 1b2t s ALA 32 Ca -0.06 -1.28 0.00 0.00 0.00 0.00 0.00 51.96 50.62 1b2t s ALA 32 Cb -0.15 -4.67 0.00 0.00 0.00 0.00 0.00 23.12 18.30 1b2t s ALA 32 CO 0.05 -6.75 0.00 -1.13 0.00 0.00 0.00 175.76 167.93 1b2t n SER 33 N 19.68 0.00 -4.73 0.00 3.41 -1.26 -5.14 113.62 125.58 1b2t n SER 33 Ca 0.43 0.00 -0.35 0.00 -0.26 0.00 0.00 58.87 58.68 1b2t n SER 33 Cb 0.46 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.32 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 2.11 2.12 3.16 0.00 0.00 -1.26 -4.06 105.19 107.25 1b2t n GLY 35 Ca -0.19 0.44 -0.10 0.00 0.00 0.00 0.00 46.02 46.17 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 0.99 -0.85 1.61 3.01 0.15 -4.77 119.74 119.87 1b2t s LYS 36 Ca 0.00 -1.47 -0.26 0.00 -1.01 0.00 0.00 55.97 53.23 1b2t s LYS 36 Cb 0.00 0.25 -0.12 0.00 -1.01 0.00 0.00 37.83 36.96 1b2t s LYS 36 CO 0.00 -0.29 2.25 0.50 0.51 0.00 0.00 175.35 178.32 1b2t s ARG 37 N -4.07 1.87 0.00 1.68 3.52 -1.26 -4.50 118.95 116.18 1b2t s ARG 37 Ca 0.27 0.17 0.00 0.00 -0.13 0.00 0.00 55.73 56.04 1b2t s ARG 37 Cb 0.07 -4.89 0.00 0.00 -1.56 0.00 0.00 34.95 28.58 1b2t s ARG 37 CO 0.04 -4.20 0.00 0.00 -0.81 0.00 0.00 175.30 170.33 1b2t n ALA 38 N 17.31 0.00 -2.45 6.12 0.00 -1.26 -4.83 120.51 135.40 1b2t n ALA 38 Ca 0.45 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.64 1b2t n ALA 38 Cb 0.44 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 -0.18 2.05 -0.21 0.00 -1.09 0.12 -3.46 121.20 118.43 1b2t s ILE 39 Ca 0.00 -1.88 -0.07 0.00 -2.23 0.00 0.00 60.65 56.47 1b2t s ILE 39 Cb 0.00 -1.92 -0.04 0.00 -1.58 0.00 0.00 42.46 38.93 1b2t s ILE 39 CO 0.00 -0.15 0.06 -0.63 -1.23 0.00 0.00 174.94 172.99 1b2t s ILE 40 N -1.65 4.59 -0.14 2.92 -1.09 0.08 -0.28 121.20 125.65 1b2t s ILE 40 Ca 0.16 -0.09 0.01 0.00 -2.23 0.00 0.00 60.65 58.49 1b2t s ILE 40 Cb -0.08 -3.10 -0.01 0.00 -1.58 0.00 0.00 42.46 37.70 1b2t s ILE 40 CO 0.07 0.41 -0.16 -0.76 -1.23 0.00 0.00 174.94 173.28 1b2t s LEU 41 N 0.84 2.50 -0.12 2.97 1.43 -0.34 -0.62 118.68 125.35 1b2t s LEU 41 Ca 0.03 -0.43 0.03 0.00 -1.03 0.00 0.00 54.13 52.73 1b2t s LEU 41 Cb -0.14 -1.55 0.00 0.00 0.03 0.00 0.00 46.19 44.53 1b2t s LEU 41 CO 0.02 0.13 -0.22 -0.70 0.23 0.00 0.00 176.35 175.81 1b2t s GLU 42 N 0.56 3.06 0.35 1.70 2.12 0.12 -2.02 118.70 124.60 1b2t s GLU 42 Ca -0.10 -0.86 0.07 0.00 0.36 0.00 0.00 54.97 54.45 1b2t s GLU 42 Cb -0.16 -2.37 -0.02 0.00 0.26 0.00 0.00 34.13 31.84 1b2t s GLU 42 CO 0.04 0.11 0.36 0.95 -0.54 0.00 0.00 175.26 176.18 1b2t s THR 43 N 0.51 3.46 -1.34 -1.70 -4.23 -0.62 -0.13 115.64 111.59 1b2t s THR 43 Ca -0.14 -1.27 0.12 0.00 -1.18 0.00 0.00 61.69 59.22 1b2t s THR 43 Cb -0.17 -3.19 0.19 0.00 1.34 0.00 0.00 72.50 70.68 1b2t s THR 43 CO 0.05 -0.13 1.33 -2.11 -0.54 0.00 0.00 174.62 173.22 1b2t n ARG 44 N -1.48 0.14 -0.68 3.99 1.85 0.15 -1.65 116.66 118.98 1b2t n ARG 44 Ca 0.00 0.19 0.08 0.00 -1.00 0.00 0.00 57.85 57.12 1b2t n ARG 44 Cb 0.60 -1.50 0.34 0.00 -1.05 0.00 0.00 32.46 30.85 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 -1.33 3.98 -3.17 2.89 -0.06 -1.26 -4.93 117.38 113.50 1b2t n GLN 45 Ca 0.05 -2.98 -0.15 0.00 -2.00 0.00 0.00 57.00 51.92 1b2t n GLN 45 Cb 0.11 -2.04 0.06 0.00 -4.06 0.00 0.00 30.24 24.31 1b2t n GLN 45 CO 0.00 0.00 0.00 0.72 -0.20 0.00 0.00 177.06 177.58 1b2t n HIS 46 N 0.25 -1.85 -3.56 3.69 8.25 -0.66 -4.99 115.22 116.35 1b2t n HIS 46 Ca 0.25 0.71 -0.41 0.00 -0.26 0.00 0.00 57.72 58.01 1b2t n HIS 46 Cb 1.03 -4.10 -0.10 0.00 1.12 0.00 0.00 29.99 27.94 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 -5.48 2.73 -0.30 -0.41 3.52 -1.24 -4.90 118.95 112.87 1b2t s ARG 47 Ca 0.22 -1.35 -0.04 0.00 -0.13 0.00 0.00 55.73 54.42 1b2t s ARG 47 Cb -0.09 -3.83 0.03 0.00 -1.56 0.00 0.00 34.95 29.49 1b2t s ARG 47 CO 0.53 -0.91 0.03 -0.51 -0.81 0.00 0.00 175.30 173.64 1b2t s LEU 48 N 1.50 3.84 0.22 -0.88 1.43 -1.25 -1.59 118.68 121.94 1b2t s LEU 48 Ca 0.03 -1.00 0.01 0.00 -1.03 0.00 0.00 54.13 52.14 1b2t s LEU 48 Cb -0.22 -1.79 -0.05 0.00 0.03 0.00 0.00 46.19 44.16 1b2t s LEU 48 CO 0.04 -0.23 0.06 -0.36 0.23 0.00 0.00 176.35 176.09 1b2t s PHE 49 N 1.37 1.37 -0.27 0.29 0.40 -0.86 -4.97 117.98 115.32 1b2t s PHE 49 Ca -0.01 -1.13 -0.07 0.00 -0.60 0.00 0.00 56.93 55.12 1b2t s PHE 49 Cb -0.18 -0.79 -0.01 0.00 0.51 0.00 0.00 43.02 42.55 1b2t s PHE 49 CO 0.00 -0.31 0.07 0.00 0.70 0.00 0.00 175.22 175.68 1b2t s ALA 51 N 1.56 2.22 0.05 0.00 0.00 0.62 -3.04 121.76 123.17 1b2t s ALA 51 Ca 0.05 -1.06 -0.31 0.00 0.00 0.00 0.00 51.96 50.64 1b2t s ALA 51 Cb -0.16 -0.67 -0.05 0.00 0.00 0.00 0.00 23.12 22.23 1b2t s ALA 51 CO 0.03 0.46 1.19 0.34 0.00 0.00 0.00 175.76 177.78 1b2t s ASP 52 N -0.34 7.08 0.66 0.00 -1.08 -1.26 0.15 116.67 121.89 1b2t s ASP 52 Ca 0.02 1.99 0.27 0.00 -0.52 0.00 0.00 52.55 54.31 1b2t s ASP 52 Cb -0.12 -2.58 1.47 0.00 -1.46 0.00 0.00 42.92 40.23 1b2t s ASP 52 CO 0.02 -0.48 1.83 -0.65 0.52 0.00 0.00 175.17 176.42 1b2t h PRO 53 N 6.87 0.00 0.00 4.34 0.11 -1.90 0.37 132.00 141.79 1b2t h PRO 53 Ca -0.41 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.69 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 0.82 0.00 -0.06 1.57 -0.21 0.00 0.00 178.00 180.11 1b2t h LYS 54 N 0.00 0.00 -6.58 1.05 2.10 -1.98 -3.41 116.57 107.76 1b2t h LYS 54 Ca 0.01 0.00 -0.53 0.00 -2.00 0.00 0.00 60.65 58.13 1b2t h LYS 54 Cb 0.81 0.00 0.03 0.00 -0.90 0.00 0.00 32.23 32.17 1b2t h LYS 54 CO -0.00 0.06 0.70 -1.21 -2.00 0.00 0.00 179.45 177.01 1b2t s GLU 55 N -3.62 4.34 0.10 0.07 2.02 0.13 -4.94 118.70 116.80 1b2t s GLU 55 Ca 0.02 2.07 -0.29 0.00 0.02 0.00 0.00 54.97 56.78 1b2t s GLU 55 Cb 0.09 -3.24 -0.13 0.00 0.10 0.00 0.00 34.13 30.96 1b2t s GLU 55 CO 0.58 -0.39 1.64 0.37 0.02 0.00 0.00 175.26 177.47 1b2t h GLN 56 N 6.46 -0.59 0.00 1.61 -0.00 -1.87 -1.26 115.11 119.46 1b2t h GLN 56 Ca -0.43 0.04 0.00 0.00 -0.00 0.00 0.00 58.65 58.26 1b2t h GLN 56 Cb 1.21 0.13 0.00 0.00 0.00 0.00 0.00 27.48 28.82 1b2t h GLN 56 CO 0.84 -0.39 0.25 0.11 0.00 0.00 0.00 178.83 179.64 1b2t h TRP 57 N -0.61 0.00 0.11 3.99 5.08 -1.96 0.98 115.95 123.55 1b2t h TRP 57 Ca -0.02 0.00 -0.34 0.00 1.08 0.00 0.00 58.89 59.62 1b2t h TRP 57 Cb 0.55 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 26.70 1b2t h TRP 57 CO -0.17 0.00 -1.80 0.28 -1.28 0.00 0.00 178.44 175.47 1b2t h VAL 58 N 0.00 0.83 0.02 0.12 2.07 -1.57 -2.14 116.25 115.59 1b2t h VAL 58 Ca 0.00 -2.53 -0.00 0.00 0.82 0.00 0.00 66.70 64.99 1b2t h VAL 58 Cb 0.50 2.60 0.00 0.00 -1.52 0.00 0.00 31.29 32.87 1b2t h VAL 58 CO 0.00 0.81 -0.01 0.11 0.02 0.00 0.00 177.57 178.50 1b2t h LYS 59 N 0.07 -0.03 -0.24 1.57 1.57 -0.29 -2.17 116.57 117.04 1b2t h LYS 59 Ca -0.35 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.30 1b2t h LYS 59 Cb 2.04 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 34.35 1b2t h LYS 59 CO 0.12 0.29 -0.37 0.22 -0.57 0.00 0.00 179.45 179.14 1b2t h ASP 60 N -0.35 0.74 -0.91 0.86 3.58 -1.56 -1.96 116.42 116.83 1b2t h ASP 60 Ca -0.00 -0.52 0.17 0.00 0.42 0.00 0.00 57.03 57.10 1b2t h ASP 60 Cb 0.33 -0.21 -0.10 0.00 1.72 0.00 0.00 39.33 41.07 1b2t h ASP 60 CO 0.00 1.11 0.50 0.00 -2.88 0.00 0.00 179.24 177.98 1b2t h ALA 61 N 0.65 1.42 0.20 -0.78 0.00 -1.39 0.24 119.26 119.60 1b2t h ALA 61 Ca 0.02 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1b2t h ALA 61 Cb 0.95 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1b2t h ALA 61 CO 0.08 -0.08 -0.10 0.52 0.00 0.00 0.00 179.25 179.67 1b2t h MET 62 N 0.67 -0.26 -0.92 0.00 2.86 -1.33 -2.20 114.93 113.75 1b2t h MET 62 Ca 0.51 0.02 0.27 0.00 -2.06 0.00 0.00 59.70 58.43 1b2t h MET 62 Cb 0.76 0.06 -0.04 0.00 0.06 0.00 0.00 31.60 32.44 1b2t h MET 62 CO -0.38 -0.17 0.95 0.37 1.06 0.00 0.00 176.91 178.74 1b2t h GLN 63 N -0.70 0.00 0.17 1.72 4.15 -1.18 0.19 115.11 119.46 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 0.21 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.90 1b2t h GLN 63 CO 0.05 0.00 -0.08 1.25 -1.93 0.00 0.00 178.83 178.11 1b2t h HIS 64 N 0.00 -0.21 -1.10 3.99 2.76 -0.51 -3.29 115.15 116.80 1b2t h HIS 64 Ca 0.44 -0.01 0.33 0.00 -2.20 0.00 0.00 60.37 58.93 1b2t h HIS 64 Cb 2.33 0.07 -0.13 0.00 1.55 0.00 0.00 27.41 31.24 1b2t h HIS 64 CO 0.00 0.10 0.67 -0.07 -1.30 0.00 0.00 177.93 177.33 1b2t h LEU 65 N -0.99 0.44 -0.53 0.26 3.38 0.03 -0.10 115.31 117.79 1b2t h LEU 65 Ca -0.02 0.15 0.09 0.00 0.09 0.00 0.00 57.88 58.18 1b2t h LEU 65 Cb 0.41 0.09 -0.10 0.00 0.09 0.00 0.00 40.66 41.15 1b2t h LEU 65 CO 0.04 -0.08 -0.39 0.44 0.09 0.00 0.00 178.44 178.54 1b2t h ASP 66 N 0.29 -1.35 -1.38 -0.43 5.19 -1.49 -1.72 116.42 115.54 1b2t h ASP 66 Ca 0.72 0.23 -0.75 0.00 -0.62 0.00 0.00 57.03 56.60 1b2t h ASP 66 Cb 1.84 0.62 -0.16 0.00 0.18 0.00 0.00 39.33 41.82 1b2t h ASP 66 CO -0.47 -0.33 2.08 0.54 -3.12 0.00 0.00 179.24 177.94 1b2t n ARG 67 N -5.42 4.72 0.01 3.56 3.00 -0.05 -4.38 116.66 118.11 1b2t n ARG 67 Ca 0.02 -3.69 0.00 0.00 -0.01 0.00 0.00 57.85 54.17 1b2t n ARG 67 Cb 0.35 -2.58 0.00 0.00 0.00 0.00 0.00 32.46 30.23 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 1.31 0.00 -0.35 5.56 7.27 -0.65 -4.55 117.38 125.97 1b2t n GLN 68 Ca 0.59 0.00 0.13 0.00 0.07 0.00 0.00 57.00 57.79 1b2t n GLN 68 Cb 0.26 0.00 0.33 0.00 2.41 0.00 0.00 30.24 33.24 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 1.70 0.00 1.69 0.00 -1.76 -1.57 119.26 119.32 1b2t h ALA 69 Ca 0.00 0.08 -0.23 0.00 0.00 0.00 0.00 54.91 54.76 1b2t h ALA 69 Cb 0.00 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 1b2t h ALA 69 CO 0.00 -0.07 -1.87 0.00 0.00 0.00 0.00 179.25 177.31 1b2t n ALA 70 N -2.34 1.87 0.17 0.00 0.00 -1.26 -2.87 120.51 116.08 1b2t n ALA 70 Ca 0.23 -0.84 0.11 0.00 0.00 0.00 0.00 53.44 52.94 1b2t n ALA 70 Cb 0.58 -0.65 0.56 0.00 0.00 0.00 0.00 19.45 19.94 1b2t n ALA 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1b2t h ALA 71 N 1.32 1.04 0.00 0.00 0.00 -1.54 -2.24 119.26 117.84 1b2t h ALA 71 Ca -0.28 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1b2t h ALA 71 Cb 1.77 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.56 1b2t h ALA 71 CO 0.04 -0.04 -0.96 -0.11 0.00 0.00 0.00 179.25 178.17 1b2t n LEU 72 N -2.25 0.00 -3.55 0.00 0.00 -1.01 -4.91 117.00 105.29 1b2t n LEU 72 Ca -0.01 0.00 -0.28 0.00 0.00 0.00 0.00 56.01 55.72 1b2t n LEU 72 Cb 0.10 0.00 -0.11 0.00 0.00 0.00 0.00 43.42 43.41 1b2t n LEU 72 CO 0.09 0.00 -0.26 0.42 0.00 0.00 0.00 177.39 177.64 1b2t s THR 73 N -1.95 0.92 -0.91 1.96 -4.23 -0.87 -5.06 115.64 105.50 1b2t s THR 73 Ca 0.00 -2.74 -0.21 0.00 -1.18 0.00 0.00 61.69 57.56 1b2t s THR 73 Cb 0.00 -1.64 -0.24 0.00 1.34 0.00 0.00 72.50 71.96 1b2t s THR 73 CO 0.00 -1.09 2.40 -1.14 -0.54 0.00 0.00 174.62 174.25 1b2t n ARG 74 N 3.04 0.20 -3.69 3.99 0.63 -1.08 -4.33 116.66 115.41 1b2t n ARG 74 Ca 0.21 -0.12 -0.30 0.00 -0.92 0.00 0.00 57.85 56.73 1b2t n ARG 74 Cb 0.41 -1.82 -0.15 0.00 0.45 0.00 0.00 32.46 31.35 1b2t n ARG 74 CO 0.00 0.00 0.00 1.21 -2.51 0.00 0.00 177.63 176.33 1b2t s ASN 75 N 5.94 3.87 0.00 6.15 2.47 -1.26 -5.10 114.94 127.01 1b2t s ASN 75 Ca 1.24 -1.69 0.17 0.00 0.42 0.00 0.00 52.86 53.00 1b2t s ASN 75 Cb -0.81 -0.77 0.13 0.00 -1.45 0.00 0.00 41.25 38.35 1b2t s ASN 75 CO 0.44 -0.40 1.02 0.61 -3.72 0.00 0.00 177.10 175.05