#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b2t s GLN 1 N 0.00 0.53 0.30 0.03 0.74 -1.26 -5.08 119.66 114.93 1b2t s GLN 1 Ca 0.00 -0.40 -0.29 0.00 0.05 0.00 0.00 55.36 54.72 1b2t s GLN 1 Cb 0.00 0.22 -0.10 0.00 1.10 0.00 0.00 33.01 34.24 1b2t s GLN 1 CO 0.00 -0.13 1.12 -3.38 -0.55 0.00 0.00 175.29 172.35 1b2t s HIS 2 N -1.52 3.48 -0.96 1.67 -3.43 -1.26 -3.47 115.29 109.79 1b2t s HIS 2 Ca -0.14 1.66 -0.05 0.00 -0.80 0.00 0.00 55.06 55.73 1b2t s HIS 2 Cb -0.07 -3.33 0.01 0.00 -1.43 0.00 0.00 32.58 27.76 1b2t s HIS 2 CO 0.01 -0.74 0.83 0.72 -2.00 0.00 0.00 174.74 173.57 1b2t n HIS 3 N 1.02 -1.98 0.00 0.38 8.25 -1.26 -4.88 115.22 116.75 1b2t n HIS 3 Ca -0.00 0.73 0.00 0.00 -0.26 0.00 0.00 57.72 58.19 1b2t n HIS 3 Cb 0.45 -4.04 0.00 0.00 1.12 0.00 0.00 29.99 27.52 1b2t n HIS 3 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1b2t n GLY 4 N -1.48 0.47 3.05 -1.41 0.00 -1.23 -5.09 105.19 99.51 1b2t n GLY 4 Ca -0.05 0.15 -0.36 0.00 0.00 0.00 0.00 46.02 45.76 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 0.00 3.27 0.27 1.61 0.24 -1.24 -4.06 118.33 118.42 1b2t n VAL 5 Ca 0.00 -5.22 0.03 0.00 -2.04 0.00 0.00 64.34 57.11 1b2t n VAL 5 Cb 0.00 -2.34 0.02 0.00 -1.47 0.00 0.00 33.84 30.05 1b2t n VAL 5 CO 0.00 0.00 0.00 1.07 -2.14 0.00 0.00 176.83 175.76 1b2t n THR 6 N 2.10 0.00 -2.24 3.34 5.66 -1.26 -5.00 114.28 116.87 1b2t n THR 6 Ca 0.23 -0.48 -0.01 0.00 -3.05 0.00 0.00 64.05 60.75 1b2t n THR 6 Cb 0.37 1.11 -0.01 0.00 -1.55 0.00 0.00 70.33 70.25 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 0.09 -2.32 -1.49 1.09 0.00 -1.26 -4.90 118.16 109.37 1b2t n LYS 7 Ca 0.03 2.01 0.00 0.00 0.00 0.00 0.00 58.31 60.35 1b2t n LYS 7 Cb 0.15 -3.71 0.00 0.00 0.00 0.00 0.00 35.03 31.47 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 0.73 0.12 -3.87 0.00 6.94 -1.26 -3.90 115.26 114.02 1b2t n ASN 9 Ca 0.00 0.94 -0.19 0.00 -0.02 0.00 0.00 54.58 55.31 1b2t n ASN 9 Cb 0.00 -0.47 -0.16 0.00 -2.36 0.00 0.00 39.78 36.79 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 -4.70 0.46 0.37 1.53 2.07 -1.26 -5.10 121.20 114.56 1b2t s ILE 10 Ca -0.05 -0.07 0.05 0.00 -1.41 0.00 0.00 60.65 59.17 1b2t s ILE 10 Cb 0.22 -0.50 -0.06 0.00 0.13 0.00 0.00 42.46 42.24 1b2t s ILE 10 CO 0.60 0.21 0.05 0.28 -1.91 0.00 0.00 174.94 174.16 1b2t s THR 11 N 0.98 1.40 -0.40 4.00 -1.32 -1.25 -4.87 115.64 114.18 1b2t s THR 11 Ca -0.10 -2.00 0.05 0.00 -1.21 0.00 0.00 61.69 58.43 1b2t s THR 11 Cb -0.14 -2.79 0.52 0.00 -1.51 0.00 0.00 72.50 68.58 1b2t s THR 11 CO -0.00 0.00 1.62 0.00 -2.21 0.00 0.00 174.62 174.02 1b2t n SER 13 N -1.02 1.61 0.00 0.00 2.88 -1.26 -4.48 113.62 111.36 1b2t n SER 13 Ca 0.46 -1.62 0.00 0.00 -1.33 0.00 0.00 58.87 56.38 1b2t n SER 13 Cb 1.07 -1.64 0.00 0.00 -0.75 0.00 0.00 64.21 62.89 1b2t n SER 13 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1b2t n LYS 14 N 8.58 0.00 -3.21 -1.46 3.00 -1.26 -4.98 118.16 118.83 1b2t n LYS 14 Ca 0.47 0.00 -0.37 0.00 -0.00 0.00 0.00 58.31 58.40 1b2t n LYS 14 Cb 0.43 0.00 -0.06 0.00 0.00 0.00 0.00 35.03 35.40 1b2t n LYS 14 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.40 175.76 1b2t s MET 15 N -3.97 4.20 0.00 1.64 -1.94 -1.26 -4.67 119.30 113.30 1b2t s MET 15 Ca 0.00 0.76 0.00 0.00 -1.71 0.00 0.00 55.69 54.74 1b2t s MET 15 Cb 0.00 -3.05 0.00 0.00 2.01 0.00 0.00 34.83 33.79 1b2t s MET 15 CO 0.00 0.52 0.00 -2.37 -0.01 0.00 0.00 175.02 173.16 1b2t n THR 16 N 1.16 0.00 -3.35 2.05 5.66 -0.95 -5.03 114.28 113.82 1b2t n THR 16 Ca -0.06 0.00 -0.08 0.00 -3.05 0.00 0.00 64.05 60.86 1b2t n THR 16 Cb 0.51 -1.58 0.01 0.00 -1.55 0.00 0.00 70.33 67.72 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 -2.42 1.23 -4.77 1.09 7.64 -1.26 -5.00 113.62 110.14 1b2t n SER 17 Ca 0.00 -1.62 -0.39 0.00 1.01 0.00 0.00 58.87 57.87 1b2t n SER 17 Cb 0.00 -0.08 -0.03 0.00 -1.01 0.00 0.00 64.21 63.09 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 -2.87 4.25 -0.08 1.43 2.36 -1.26 -5.05 119.74 118.52 1b2t s LYS 18 Ca 0.16 1.80 -0.06 0.00 -2.55 0.00 0.00 55.97 55.33 1b2t s LYS 18 Cb -0.01 -2.82 0.03 0.00 -1.05 0.00 0.00 37.83 33.97 1b2t s LYS 18 CO 0.10 -0.14 0.19 0.42 1.55 0.00 0.00 175.35 177.48 1b2t s ILE 19 N -1.37 -0.01 0.03 5.43 1.01 -1.26 -5.13 121.20 119.90 1b2t s ILE 19 Ca 0.53 0.05 -0.30 0.00 0.00 0.00 0.00 60.65 60.92 1b2t s ILE 19 Cb -0.30 -0.29 -0.07 0.00 0.01 0.00 0.00 42.46 41.81 1b2t s ILE 19 CO 0.38 0.02 1.57 -2.16 0.00 0.00 0.00 174.94 174.75 1b2t s PRO 20 N 0.42 4.22 0.61 2.79 0.04 -1.26 -4.87 135.00 136.95 1b2t s PRO 20 Ca -0.03 2.19 0.29 0.00 0.04 0.00 0.00 61.00 63.49 1b2t s PRO 20 Cb -0.04 -3.63 1.51 0.00 0.04 0.00 0.00 34.50 32.38 1b2t s PRO 20 CO -0.02 -0.69 1.91 -0.24 0.04 0.00 0.00 177.00 177.99 1b2t h VAL 21 N 4.93 0.28 0.00 -0.36 3.04 -1.94 0.36 116.25 122.56 1b2t h VAL 21 Ca -0.41 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.28 1b2t h VAL 21 Cb 1.19 0.64 0.00 0.00 -2.01 0.00 0.00 31.29 31.11 1b2t h VAL 21 CO 0.92 0.00 0.00 0.00 -1.01 0.00 0.00 177.57 177.48 1b2t n ALA 22 N -2.23 1.25 0.06 3.17 0.00 -1.26 -1.27 120.51 120.23 1b2t n ALA 22 Ca 0.05 0.05 0.08 0.00 0.00 0.00 0.00 53.44 53.62 1b2t n ALA 22 Cb 0.58 -1.18 -0.12 0.00 0.00 0.00 0.00 19.45 18.72 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 -1.79 0.07 -4.70 0.00 7.99 0.13 -4.95 117.00 113.75 1b2t n LEU 23 Ca 0.01 -0.05 -0.42 0.00 -0.01 0.00 0.00 56.01 55.54 1b2t n LEU 23 Cb 0.08 0.00 -0.03 0.00 -0.11 0.00 0.00 43.42 43.36 1b2t n LEU 23 CO 0.08 0.02 1.00 -0.76 -1.51 0.00 0.00 177.39 176.21 1b2t s LEU 24 N -4.02 4.32 -0.11 2.23 1.43 -0.40 -0.86 118.68 121.27 1b2t s LEU 24 Ca -0.05 2.01 0.12 0.00 -1.03 0.00 0.00 54.13 55.18 1b2t s LEU 24 Cb 0.11 -3.57 -0.18 0.00 0.03 0.00 0.00 46.19 42.58 1b2t s LEU 24 CO 0.68 -0.60 0.10 2.30 0.23 0.00 0.00 176.35 179.06 1b2t n ILE 25 N 4.38 0.75 -3.63 -0.59 -5.35 0.67 -4.84 119.36 110.75 1b2t n ILE 25 Ca 0.11 -0.53 -0.15 0.00 -0.27 0.00 0.00 62.75 61.92 1b2t n ILE 25 Cb 0.45 -0.49 -0.07 0.00 -1.74 0.00 0.00 39.64 37.79 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 -2.45 -0.68 -0.29 4.28 3.76 -0.90 -5.04 115.29 113.96 1b2t s HIS 26 Ca -0.06 1.55 0.03 0.00 -0.15 0.00 0.00 55.06 56.43 1b2t s HIS 26 Cb 0.05 0.27 0.08 0.00 1.11 0.00 0.00 32.58 34.09 1b2t s HIS 26 CO 0.56 -0.40 -0.04 1.52 -0.85 0.00 0.00 174.74 175.53 1b2t s TYR 27 N -0.05 3.42 0.40 1.40 1.13 -1.26 -0.49 117.35 121.89 1b2t s TYR 27 Ca -0.03 -2.57 0.01 0.00 -1.41 0.00 0.00 57.07 53.07 1b2t s TYR 27 Cb -0.04 -2.31 0.08 0.00 -1.10 0.00 0.00 41.96 38.59 1b2t s TYR 27 CO 0.03 -0.90 0.54 1.04 -2.51 0.00 0.00 175.55 173.75 1b2t n GLN 28 N 4.37 0.31 -4.86 -3.49 6.02 0.81 -4.90 117.38 115.63 1b2t n GLN 28 Ca -0.07 -1.57 -0.25 0.00 -0.01 0.00 0.00 57.00 55.10 1b2t n GLN 28 Cb 0.42 -0.33 -0.16 0.00 1.02 0.00 0.00 30.24 31.19 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 -3.84 1.56 0.42 -1.09 2.00 -1.26 -0.55 119.66 116.90 1b2t s GLN 29 Ca 0.37 -0.64 -0.26 0.00 -2.00 0.00 0.00 55.36 52.83 1b2t s GLN 29 Cb -0.02 -1.46 -0.10 0.00 0.80 0.00 0.00 33.01 32.23 1b2t s GLN 29 CO 0.24 0.35 1.37 -1.71 -0.50 0.00 0.00 175.29 175.04 1b2t n ASN 30 N 2.78 3.08 -4.70 6.67 2.85 -0.66 -4.76 115.26 120.53 1b2t n ASN 30 Ca -0.16 1.14 -0.42 0.00 -0.11 0.00 0.00 54.58 55.03 1b2t n ASN 30 Cb 0.53 -1.56 -0.03 0.00 1.24 0.00 0.00 39.78 39.97 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 -2.27 4.45 -1.06 1.20 -0.21 -1.26 -4.84 119.66 115.67 1b2t s GLN 31 Ca 0.59 1.59 -0.25 0.00 0.02 0.00 0.00 55.36 57.32 1b2t s GLN 31 Cb -0.48 -3.46 -0.14 0.00 1.00 0.00 0.00 33.01 29.94 1b2t s GLN 31 CO 0.59 -0.25 2.06 0.00 -2.12 0.00 0.00 175.29 175.57 1b2t s ALA 32 N 1.44 1.18 0.00 6.09 0.00 -1.26 -1.89 121.76 127.32 1b2t s ALA 32 Ca 0.55 -1.66 0.00 0.00 0.00 0.00 0.00 51.96 50.85 1b2t s ALA 32 Cb -0.24 -4.66 0.00 0.00 0.00 0.00 0.00 23.12 18.22 1b2t s ALA 32 CO 0.26 -5.84 0.00 0.43 0.00 0.00 0.00 175.76 170.60 1b2t n SER 33 N 16.69 0.00 -4.66 0.00 7.64 -1.26 -5.14 113.62 126.88 1b2t n SER 33 Ca 0.43 0.00 -0.31 0.00 1.01 0.00 0.00 58.87 60.00 1b2t n SER 33 Cb 0.46 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.57 1b2t n SER 33 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1b2t n GLY 35 N 1.07 0.74 3.90 0.00 0.00 -1.26 -4.56 105.19 105.08 1b2t n GLY 35 Ca -0.13 -0.42 -0.29 0.00 0.00 0.00 0.00 46.02 45.18 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 3.65 -1.07 1.61 3.01 -1.26 -4.90 119.74 120.77 1b2t s LYS 36 Ca 0.00 0.01 -0.22 0.00 -1.01 0.00 0.00 55.97 54.75 1b2t s LYS 36 Cb 0.00 -2.67 -0.10 0.00 -1.01 0.00 0.00 37.83 34.05 1b2t s LYS 36 CO 0.00 0.26 1.92 2.89 0.51 0.00 0.00 175.35 180.93 1b2t n ARG 37 N -0.73 1.73 -1.19 1.68 1.85 -1.26 -4.65 116.66 114.09 1b2t n ARG 37 Ca -0.02 -2.34 0.00 0.00 -1.00 0.00 0.00 57.85 54.50 1b2t n ARG 37 Cb 0.53 -3.43 0.00 0.00 -1.05 0.00 0.00 32.46 28.51 1b2t n ARG 37 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1b2t n ALA 38 N 11.40 0.00 -2.76 2.89 0.00 -1.26 -4.99 120.51 125.80 1b2t n ALA 38 Ca 0.47 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.64 1b2t n ALA 38 Cb 0.44 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.83 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 0.15 4.31 -0.20 0.00 -1.09 -0.51 -1.65 121.20 122.21 1b2t s ILE 39 Ca 0.00 -1.08 -0.07 0.00 -2.23 0.00 0.00 60.65 57.27 1b2t s ILE 39 Cb 0.00 -3.16 -0.04 0.00 -1.58 0.00 0.00 42.46 37.68 1b2t s ILE 39 CO 0.00 -0.05 0.06 -0.63 -1.23 0.00 0.00 174.94 173.09 1b2t s ILE 40 N -1.64 4.57 -0.20 2.92 -1.09 0.28 -1.15 121.20 124.90 1b2t s ILE 40 Ca 0.29 -0.10 -0.02 0.00 -2.23 0.00 0.00 60.65 58.59 1b2t s ILE 40 Cb -0.10 -3.08 -0.00 0.00 -1.58 0.00 0.00 42.46 37.69 1b2t s ILE 40 CO 0.22 0.43 -0.09 -0.76 -1.23 0.00 0.00 174.94 173.50 1b2t s LEU 41 N 0.74 2.69 -0.15 2.97 1.43 -0.44 -0.13 118.68 125.78 1b2t s LEU 41 Ca 0.03 -0.44 0.00 0.00 -1.03 0.00 0.00 54.13 52.69 1b2t s LEU 41 Cb -0.13 -1.66 -0.00 0.00 0.03 0.00 0.00 46.19 44.42 1b2t s LEU 41 CO 0.02 0.01 -0.15 -0.70 0.23 0.00 0.00 176.35 175.76 1b2t s GLU 42 N 1.28 3.24 0.35 1.70 2.12 0.36 -1.95 118.70 125.81 1b2t s GLU 42 Ca 0.03 -0.74 0.07 0.00 0.36 0.00 0.00 54.97 54.70 1b2t s GLU 42 Cb -0.14 -2.62 -0.02 0.00 0.26 0.00 0.00 34.13 31.61 1b2t s GLU 42 CO -0.04 0.06 0.36 0.95 -0.54 0.00 0.00 175.26 176.05 1b2t s THR 43 N 0.70 3.46 -1.15 -1.70 -4.23 -0.67 -0.24 115.64 111.81 1b2t s THR 43 Ca -0.07 -1.26 0.09 0.00 -1.18 0.00 0.00 61.69 59.27 1b2t s THR 43 Cb -0.16 -3.19 0.10 0.00 1.34 0.00 0.00 72.50 70.60 1b2t s THR 43 CO 0.02 -0.13 1.25 -2.11 -0.54 0.00 0.00 174.62 173.10 1b2t n ARG 44 N -1.49 0.05 -0.82 3.99 1.85 -0.04 -1.53 116.66 118.67 1b2t n ARG 44 Ca 0.00 0.30 0.02 0.00 -1.00 0.00 0.00 57.85 57.16 1b2t n ARG 44 Cb 0.60 -1.50 0.31 0.00 -1.05 0.00 0.00 32.46 30.82 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 -1.43 3.68 -3.31 2.89 6.02 -1.26 -4.92 117.38 119.05 1b2t n GLN 45 Ca 0.03 -3.06 -0.17 0.00 -0.01 0.00 0.00 57.00 53.79 1b2t n GLN 45 Cb 0.09 -2.10 0.07 0.00 1.02 0.00 0.00 30.24 29.32 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 -0.13 -2.10 -3.50 1.08 8.25 -0.58 -4.98 115.22 113.27 1b2t n HIS 46 Ca 0.32 0.83 -0.42 0.00 -0.26 0.00 0.00 57.72 58.19 1b2t n HIS 46 Cb 1.18 -4.59 -0.08 0.00 1.12 0.00 0.00 29.99 27.62 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 -5.52 2.69 -0.35 -0.41 3.52 -1.23 -4.89 118.95 112.77 1b2t s ARG 47 Ca 0.18 -1.60 -0.06 0.00 -0.13 0.00 0.00 55.73 54.12 1b2t s ARG 47 Cb -0.08 -3.98 0.05 0.00 -1.56 0.00 0.00 34.95 29.37 1b2t s ARG 47 CO 0.63 -1.12 0.11 -0.51 -0.81 0.00 0.00 175.30 173.60 1b2t s LEU 48 N 1.47 4.40 0.00 -0.88 1.43 -1.24 -1.68 118.68 122.18 1b2t s LEU 48 Ca 0.04 -1.22 0.05 0.00 -1.03 0.00 0.00 54.13 51.98 1b2t s LEU 48 Cb -0.26 -1.87 -0.02 0.00 0.03 0.00 0.00 46.19 44.08 1b2t s LEU 48 CO 0.02 -0.35 0.20 0.49 0.23 0.00 0.00 176.35 176.94 1b2t n PHE 49 N 4.80 -0.18 -4.03 0.29 3.01 -0.82 -4.95 117.46 115.56 1b2t n PHE 49 Ca -0.12 -2.75 -0.34 0.00 1.01 0.00 0.00 57.45 55.26 1b2t n PHE 49 Cb 0.44 0.10 -0.15 0.00 -0.01 0.00 0.00 39.48 39.86 1b2t n PHE 49 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1b2t s ALA 51 N 1.28 3.40 -0.16 0.00 0.00 -0.30 -2.23 121.76 123.74 1b2t s ALA 51 Ca 0.00 -1.48 -0.19 0.00 0.00 0.00 0.00 51.96 50.29 1b2t s ALA 51 Cb -0.16 -1.09 -0.03 0.00 0.00 0.00 0.00 23.12 21.84 1b2t s ALA 51 CO -0.07 0.30 0.55 0.34 0.00 0.00 0.00 175.76 176.88 1b2t s ASP 52 N -3.64 6.67 0.65 0.00 2.15 -1.26 -1.42 116.67 119.82 1b2t s ASP 52 Ca 0.32 0.81 0.30 0.00 0.43 0.00 0.00 52.55 54.40 1b2t s ASP 52 Cb -0.08 -2.32 1.61 0.00 -0.30 0.00 0.00 42.92 41.84 1b2t s ASP 52 CO 0.22 -0.14 1.90 -0.65 -0.17 0.00 0.00 175.17 176.33 1b2t h PRO 53 N 7.18 0.00 0.00 4.34 0.11 -1.95 0.45 132.00 142.12 1b2t h PRO 53 Ca -0.36 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.74 1b2t h PRO 53 Cb 1.16 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 1b2t h PRO 53 CO 0.75 0.00 -0.07 0.87 -0.21 0.00 0.00 178.00 179.35 1b2t h LYS 54 N 0.00 0.00 -6.61 1.05 1.79 -1.98 -3.41 116.57 107.40 1b2t h LYS 54 Ca 0.00 0.00 -0.52 0.00 -2.18 0.00 0.00 60.65 57.95 1b2t h LYS 54 Cb 0.63 0.00 0.05 0.00 -1.58 0.00 0.00 32.23 31.33 1b2t h LYS 54 CO 0.00 0.07 0.96 -1.21 -1.08 0.00 0.00 179.45 178.19 1b2t s GLU 55 N -3.21 4.17 0.09 3.15 2.02 0.16 -4.91 118.70 120.16 1b2t s GLU 55 Ca 0.06 2.49 -0.32 0.00 0.02 0.00 0.00 54.97 57.22 1b2t s GLU 55 Cb 0.06 -3.17 -0.15 0.00 0.10 0.00 0.00 34.13 30.97 1b2t s GLU 55 CO 0.67 -0.70 1.60 0.37 0.02 0.00 0.00 175.26 177.23 1b2t h GLN 56 N 7.01 -0.80 0.00 1.61 -0.00 -1.87 -0.89 115.11 120.17 1b2t h GLN 56 Ca -0.43 0.05 0.00 0.00 -0.00 0.00 0.00 58.65 58.27 1b2t h GLN 56 Cb 1.20 0.18 0.00 0.00 0.00 0.00 0.00 27.48 28.86 1b2t h GLN 56 CO 0.94 -0.53 0.31 0.11 0.00 0.00 0.00 178.83 179.65 1b2t h TRP 57 N -0.83 0.00 0.09 3.99 5.08 -1.96 0.12 115.95 122.44 1b2t h TRP 57 Ca -0.04 0.00 -0.33 0.00 1.08 0.00 0.00 58.89 59.60 1b2t h TRP 57 Cb 0.72 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 26.86 1b2t h TRP 57 CO -0.19 0.00 -1.77 0.28 -1.28 0.00 0.00 178.44 175.48 1b2t h VAL 58 N 0.00 0.86 0.11 0.12 2.07 -1.55 -2.23 116.25 115.63 1b2t h VAL 58 Ca 0.00 -2.59 -0.01 0.00 0.82 0.00 0.00 66.70 64.93 1b2t h VAL 58 Cb 0.62 2.57 0.00 0.00 -1.52 0.00 0.00 31.29 32.96 1b2t h VAL 58 CO 0.00 0.76 -0.05 0.11 0.02 0.00 0.00 177.57 178.41 1b2t h LYS 59 N 0.05 -0.15 -0.15 1.57 1.57 0.49 -2.02 116.57 117.93 1b2t h LYS 59 Ca -0.33 0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 58.41 1b2t h LYS 59 Cb 2.03 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 34.37 1b2t h LYS 59 CO 0.11 0.19 -0.10 0.22 -0.57 0.00 0.00 179.45 179.29 1b2t h ASP 60 N -0.50 0.35 -0.72 0.86 1.82 -1.50 -0.22 116.42 116.51 1b2t h ASP 60 Ca -0.02 -0.44 0.16 0.00 -0.39 0.00 0.00 57.03 56.34 1b2t h ASP 60 Cb 0.40 -0.10 -0.12 0.00 0.68 0.00 0.00 39.33 40.19 1b2t h ASP 60 CO 0.03 0.72 0.05 0.00 -1.61 0.00 0.00 179.24 178.43 1b2t h ALA 61 N 0.64 0.79 0.37 -0.78 0.00 -1.44 0.37 119.26 119.21 1b2t h ALA 61 Ca 0.03 0.21 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 1b2t h ALA 61 Cb 0.60 0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1b2t h ALA 61 CO 0.03 -0.40 -0.18 0.52 0.00 0.00 0.00 179.25 179.22 1b2t h MET 62 N 0.15 -0.48 -0.93 0.00 2.86 -1.30 -2.52 114.93 112.70 1b2t h MET 62 Ca 0.40 0.03 0.27 0.00 -2.06 0.00 0.00 59.70 58.34 1b2t h MET 62 Cb 0.69 0.11 -0.04 0.00 0.06 0.00 0.00 31.60 32.42 1b2t h MET 62 CO -0.60 -0.20 0.93 1.96 1.06 0.00 0.00 176.91 180.06 1b2t h GLN 63 N -1.02 0.00 0.17 1.72 4.20 -0.45 0.30 115.11 120.03 1b2t h GLN 63 Ca -0.05 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.65 1b2t h GLN 63 Cb 0.50 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.29 1b2t h GLN 63 CO 0.08 0.00 -0.08 1.25 -0.67 0.00 0.00 178.83 179.41 1b2t h HIS 64 N 0.00 -0.22 -0.53 2.96 2.76 -0.13 -0.77 115.15 119.22 1b2t h HIS 64 Ca 0.44 -0.01 0.01 0.00 -2.20 0.00 0.00 60.37 58.61 1b2t h HIS 64 Cb 2.29 0.07 -0.03 0.00 1.55 0.00 0.00 27.41 31.30 1b2t h HIS 64 CO 0.00 0.14 0.35 -0.07 -1.30 0.00 0.00 177.93 177.05 1b2t h LEU 65 N -0.96 0.61 -0.16 0.26 3.38 -0.14 -2.33 115.31 115.97 1b2t h LEU 65 Ca -0.02 -0.02 -0.23 0.00 0.09 0.00 0.00 57.88 57.70 1b2t h LEU 65 Cb 0.45 -0.15 0.01 0.00 0.09 0.00 0.00 40.66 41.06 1b2t h LEU 65 CO 0.04 0.44 -0.81 0.44 0.09 0.00 0.00 178.44 178.64 1b2t h ASP 66 N 0.72 0.91 -0.62 -0.43 3.32 -0.73 -3.25 116.42 116.33 1b2t h ASP 66 Ca 0.20 -0.61 -0.35 0.00 0.02 0.00 0.00 57.03 56.28 1b2t h ASP 66 Cb -0.08 -0.27 -0.13 0.00 0.22 0.00 0.00 39.33 39.07 1b2t h ASP 66 CO -0.04 1.41 0.23 -1.14 -1.72 0.00 0.00 179.24 177.98 1b2t n ARG 67 N -3.92 2.04 0.07 3.56 0.63 -0.30 -3.69 116.66 115.06 1b2t n ARG 67 Ca -0.08 -1.70 0.00 0.00 -0.92 0.00 0.00 57.85 55.16 1b2t n ARG 67 Cb 0.76 -1.87 0.00 0.00 0.45 0.00 0.00 32.46 31.80 1b2t n ARG 67 CO 0.00 0.00 0.00 0.94 -2.51 0.00 0.00 177.63 176.06 1b2t n GLN 68 N 1.04 0.00 0.09 -0.14 -0.06 -1.20 -4.61 117.38 112.50 1b2t n GLN 68 Ca 0.38 0.00 0.09 0.00 -2.00 0.00 0.00 57.00 55.48 1b2t n GLN 68 Cb 0.62 0.00 0.41 0.00 -4.06 0.00 0.00 30.24 27.21 1b2t n GLN 68 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1b2t n ALA 69 N -2.92 1.52 -0.08 1.69 0.00 -1.24 -2.41 120.51 117.07 1b2t n ALA 69 Ca 0.00 0.05 -0.17 0.00 0.00 0.00 0.00 53.44 53.32 1b2t n ALA 69 Cb 0.00 -1.30 -0.06 0.00 0.00 0.00 0.00 19.45 18.09 1b2t n ALA 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1b2t n ALA 70 N -1.67 1.85 0.26 0.00 0.00 -1.24 -4.09 120.51 115.62 1b2t n ALA 70 Ca 0.02 -0.67 0.14 0.00 0.00 0.00 0.00 53.44 52.92 1b2t n ALA 70 Cb 0.17 0.26 0.73 0.00 0.00 0.00 0.00 19.45 20.60 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 -0.63 1.18 0.00 0.00 0.00 -1.74 0.31 119.26 118.38 1b2t h ALA 71 Ca -0.39 0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.25 1b2t h ALA 71 Cb 1.30 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 19.04 1b2t h ALA 71 CO -0.24 -0.18 -1.80 1.28 0.00 0.00 0.00 179.25 178.31 1b2t n LEU 72 N -2.59 0.64 -2.70 0.00 7.99 -1.01 -4.84 117.00 114.49 1b2t n LEU 72 Ca -0.02 0.30 -0.03 0.00 -0.01 0.00 0.00 56.01 56.25 1b2t n LEU 72 Cb 0.25 0.22 0.03 0.00 -0.11 0.00 0.00 43.42 43.80 1b2t n LEU 72 CO 0.12 0.34 0.45 0.28 -1.51 0.00 0.00 177.39 177.06 1b2t s THR 73 N -2.69 -0.27 0.02 -5.08 -1.32 0.83 -5.07 115.64 102.06 1b2t s THR 73 Ca -0.06 -0.23 -0.04 0.00 -1.21 0.00 0.00 61.69 60.15 1b2t s THR 73 Cb 0.08 0.00 -0.01 0.00 -1.51 0.00 0.00 72.50 71.06 1b2t s THR 73 CO 0.83 0.00 1.06 -0.09 -2.21 0.00 0.00 174.62 174.21 1b2t h ARG 74 N 4.44 -0.03 -4.89 7.08 2.43 -1.07 -3.38 114.38 118.96 1b2t h ARG 74 Ca -0.00 0.00 -0.67 0.00 -0.81 0.00 0.00 59.98 58.50 1b2t h ARG 74 Cb 1.17 0.01 -0.36 0.00 -0.42 0.00 0.00 29.97 30.36 1b2t h ARG 74 CO -0.09 -0.02 -0.82 1.21 -1.51 0.00 0.00 179.97 178.74 1b2t s ASN 75 N -3.06 4.01 0.00 -3.80 3.84 -1.26 -4.93 114.94 109.74 1b2t s ASN 75 Ca -0.02 -1.16 0.00 0.00 0.21 0.00 0.00 52.86 51.90 1b2t s ASN 75 Cb 0.01 -1.50 0.00 0.00 -0.55 0.00 0.00 41.25 39.21 1b2t s ASN 75 CO 0.07 -0.14 0.00 0.61 -2.79 0.00 0.00 177.10 174.85