#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cyr s PRO 2 N 0.00 1.74 0.43 0.00 0.02 -1.26 -4.98 135.00 130.95 3cyr s PRO 2 Ca 0.00 0.52 -0.24 0.00 0.02 0.00 0.00 61.00 61.30 3cyr s PRO 2 Cb 0.00 -1.89 -0.08 0.00 0.02 0.00 0.00 34.50 32.55 3cyr s PRO 2 CO 0.00 -1.83 1.20 0.00 -0.33 0.00 0.00 177.00 176.04 3cyr s ALA 3 N -3.19 3.10 0.34 -1.55 0.00 -1.26 -4.98 121.76 114.22 3cyr s ALA 3 Ca 0.62 1.02 -0.27 0.00 0.00 0.00 0.00 51.96 53.33 3cyr s ALA 3 Cb -0.15 -3.41 -0.09 0.00 0.00 0.00 0.00 23.12 19.47 3cyr s ALA 3 CO 0.54 -0.66 1.06 0.54 0.00 0.00 0.00 175.76 177.24 3cyr s VAL 4 N -1.42 3.68 0.35 0.00 0.11 -1.26 -4.96 120.40 116.89 3cyr s VAL 4 Ca 0.60 1.46 -0.29 0.00 -2.93 0.00 0.00 61.98 60.82 3cyr s VAL 4 Cb -0.32 -3.84 -0.11 0.00 -1.53 0.00 0.00 36.38 30.58 3cyr s VAL 4 CO 0.40 0.18 1.48 -2.84 -3.33 0.00 0.00 175.10 170.99 3cyr s PRO 5 N -1.99 4.15 0.00 1.54 0.02 -1.26 -4.93 135.00 132.54 3cyr s PRO 5 Ca 0.51 2.51 0.25 0.00 0.02 0.00 0.00 61.00 64.30 3cyr s PRO 5 Cb -0.26 -3.00 0.50 0.00 0.02 0.00 0.00 34.50 31.76 3cyr s PRO 5 CO 0.33 -0.50 1.43 0.27 -0.33 0.00 0.00 177.00 178.20 3cyr n ASN 6 N 0.92 2.50 -4.31 2.53 0.23 -1.26 -4.65 115.26 111.22 3cyr n ASN 6 Ca 0.02 -1.83 -0.19 0.00 -0.53 0.00 0.00 54.58 52.05 3cyr n ASN 6 Cb 0.39 -0.02 -0.11 0.00 -2.08 0.00 0.00 39.78 37.97 3cyr n ASN 6 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 3cyr s LYS 7 N -1.97 1.23 0.57 -3.83 1.02 -1.26 -5.03 119.74 110.47 3cyr s LYS 7 Ca 0.32 -1.46 -0.21 0.00 0.02 0.00 0.00 55.97 54.65 3cyr s LYS 7 Cb 0.20 -1.09 -0.04 0.00 -0.52 0.00 0.00 37.83 36.38 3cyr s LYS 7 CO 0.31 0.20 1.31 -2.14 -0.92 0.00 0.00 175.35 174.11 3cyr s PRO 8 N -3.22 3.04 0.19 -1.68 0.02 -1.26 -4.77 135.00 127.31 3cyr s PRO 8 Ca 0.17 2.10 0.11 0.00 0.02 0.00 0.00 61.00 63.41 3cyr s PRO 8 Cb -0.03 -2.13 -0.04 0.00 0.02 0.00 0.00 34.50 32.32 3cyr s PRO 8 CO 0.05 -1.23 -0.24 0.14 -0.33 0.00 0.00 177.00 175.40 3cyr s VAL 9 N -1.38 2.29 0.29 3.83 -7.23 -0.70 -4.86 120.40 112.64 3cyr s VAL 9 Ca 0.74 -2.01 -0.28 0.00 -1.81 0.00 0.00 61.98 58.62 3cyr s VAL 9 Cb -0.37 -2.09 -0.09 0.00 0.56 0.00 0.00 36.38 34.38 3cyr s VAL 9 CO 0.43 -0.13 1.02 -1.61 -0.31 0.00 0.00 175.10 174.50 3cyr s GLU 10 N -2.65 4.62 -0.32 4.82 2.02 -1.26 -0.35 118.70 125.58 3cyr s GLU 10 Ca 0.20 1.59 0.03 0.00 0.02 0.00 0.00 54.97 56.81 3cyr s GLU 10 Cb -0.08 -3.05 0.09 0.00 0.10 0.00 0.00 34.13 31.19 3cyr s GLU 10 CO 0.09 0.26 0.01 0.08 0.02 0.00 0.00 175.26 175.73 3cyr s VAL 11 N -1.32 2.15 -0.07 2.63 1.01 -0.14 -4.93 120.40 119.73 3cyr s VAL 11 Ca 0.46 -2.10 -0.13 0.00 0.00 0.00 0.00 61.98 60.22 3cyr s VAL 11 Cb -0.26 -2.51 -0.05 0.00 0.00 0.00 0.00 36.38 33.56 3cyr s VAL 11 CO 0.33 -0.46 0.32 -0.54 0.00 0.00 0.00 175.10 174.76 3cyr s LYS 12 N 1.00 3.93 0.00 2.72 1.02 -1.26 -1.82 119.74 125.33 3cyr s LYS 12 Ca 0.06 0.22 0.00 0.00 0.02 0.00 0.00 55.97 56.26 3cyr s LYS 12 Cb -0.19 -3.28 0.00 0.00 -0.52 0.00 0.00 37.83 33.84 3cyr s LYS 12 CO -0.08 0.56 0.00 0.41 -0.92 0.00 0.00 175.35 175.32 3cyr n GLY 13 N 2.36 2.68 0.12 -3.33 0.00 -0.23 -5.02 105.19 101.76 3cyr n GLY 13 Ca -0.14 -2.06 -0.04 0.00 0.00 0.00 0.00 46.02 43.78 3cyr n GLY 13 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3cyr h SER 14 N 0.00 0.04 0.00 1.61 4.64 -1.98 -3.40 113.55 114.45 3cyr h SER 14 Ca 0.00 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 3cyr h SER 14 Cb 0.00 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.08 3cyr h SER 14 CO 0.00 0.76 -0.86 0.00 -0.87 0.00 0.00 176.83 175.87 3cyr n GLN 15 N -3.68 0.84 -4.32 4.77 6.02 -1.26 -5.10 117.38 114.65 3cyr n GLN 15 Ca -0.01 0.00 -0.23 0.00 -0.01 0.00 0.00 57.00 56.75 3cyr n GLN 15 Cb 0.72 -0.93 -0.08 0.00 1.02 0.00 0.00 30.24 30.97 3cyr n GLN 15 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 3cyr s LYS 16 N -1.86 2.19 -0.03 -1.09 1.02 -1.26 -5.14 119.74 113.57 3cyr s LYS 16 Ca 0.00 -1.48 0.04 0.00 0.02 0.00 0.00 55.97 54.54 3cyr s LYS 16 Cb 0.00 -2.09 -0.00 0.00 -0.52 0.00 0.00 37.83 35.21 3cyr s LYS 16 CO 0.00 0.35 -0.14 0.99 -0.92 0.00 0.00 175.35 175.63 3cyr s THR 17 N -2.36 1.16 -0.04 2.17 2.01 -1.26 -1.07 115.64 116.25 3cyr s THR 17 Ca 0.31 -0.57 0.06 0.00 0.31 0.00 0.00 61.69 61.80 3cyr s THR 17 Cb -0.06 -1.01 -0.02 0.00 0.01 0.00 0.00 72.50 71.42 3cyr s THR 17 CO 0.19 0.34 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.57 3cyr s VAL 18 N 0.06 2.54 -0.12 3.82 1.01 -0.76 -4.96 120.40 122.00 3cyr s VAL 18 Ca -0.03 -0.92 -0.22 0.00 0.00 0.00 0.00 61.98 60.82 3cyr s VAL 18 Cb -0.10 -1.95 -0.03 0.00 0.00 0.00 0.00 36.38 34.30 3cyr s VAL 18 CO 0.01 0.58 0.64 -0.04 0.00 0.00 0.00 175.10 176.29 3cyr s MET 19 N -0.59 4.35 -0.21 2.72 -1.94 -1.26 -0.96 119.30 121.41 3cyr s MET 19 Ca 0.09 0.72 -0.06 0.00 -1.71 0.00 0.00 55.69 54.73 3cyr s MET 19 Cb -0.11 -3.49 -0.03 0.00 2.01 0.00 0.00 34.83 33.22 3cyr s MET 19 CO 0.00 -0.01 0.02 0.12 -0.01 0.00 0.00 175.02 175.14 3cyr s PHE 20 N 1.12 3.07 -0.20 -0.03 5.36 0.53 -4.88 117.98 122.94 3cyr s PHE 20 Ca 0.33 -0.39 -0.12 0.00 -0.96 0.00 0.00 56.93 55.79 3cyr s PHE 20 Cb -0.17 -2.11 -0.05 0.00 -0.34 0.00 0.00 43.02 40.36 3cyr s PHE 20 CO 0.14 -0.21 0.21 -1.25 -1.46 0.00 0.00 175.22 172.65 3cyr s PRO 21 N 1.02 4.17 0.19 10.12 0.04 -1.26 -1.73 135.00 147.55 3cyr s PRO 21 Ca 0.02 -0.12 0.09 0.00 0.04 0.00 0.00 61.00 61.03 3cyr s PRO 21 Cb -0.14 -3.47 0.03 0.00 0.04 0.00 0.00 34.50 30.96 3cyr s PRO 21 CO 0.02 0.17 1.42 0.45 0.04 0.00 0.00 177.00 179.10 3cyr h HIS 22 N 7.02 0.00 -0.48 0.56 3.86 -1.86 -3.39 115.15 120.87 3cyr h HIS 22 Ca -0.39 0.00 0.09 0.00 -1.16 0.00 0.00 60.37 58.90 3cyr h HIS 22 Cb 1.16 0.00 -0.07 0.00 1.06 0.00 0.00 27.41 29.56 3cyr h HIS 22 CO 0.62 0.83 0.03 0.00 0.86 0.00 0.00 177.93 180.28 3cyr h ALA 23 N 1.17 0.48 0.00 2.45 0.00 -1.94 0.58 119.26 121.99 3cyr h ALA 23 Ca -0.01 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3cyr h ALA 23 Cb 1.48 0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.48 3cyr h ALA 23 CO 0.11 -0.36 0.00 -0.35 0.00 0.00 0.00 179.25 178.64 3cyr n PRO 24 N -5.19 0.13 -0.50 0.00 -0.04 -1.26 -2.23 135.00 125.91 3cyr n PRO 24 Ca 0.05 0.18 0.08 0.00 -0.04 0.00 0.00 63.50 63.77 3cyr n PRO 24 Cb 0.25 -1.50 0.28 0.00 -0.04 0.00 0.00 33.50 32.49 3cyr n PRO 24 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 3cyr n HIS 25 N -1.37 1.12 -0.23 0.54 8.25 0.18 -4.70 115.22 119.01 3cyr n HIS 25 Ca 0.06 -0.75 0.19 0.00 -0.26 0.00 0.00 57.72 56.96 3cyr n HIS 25 Cb 0.14 -0.29 0.52 0.00 1.12 0.00 0.00 29.99 31.49 3cyr n HIS 25 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 3cyr h GLU 26 N 2.52 0.37 -0.25 -0.41 4.81 -1.28 -0.87 114.58 119.47 3cyr h GLU 26 Ca 0.00 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 3cyr h GLU 26 Cb 1.41 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.71 3cyr h GLU 26 CO 0.23 0.25 0.00 1.63 -0.73 0.00 0.00 179.01 180.39 3cyr n LYS 27 N -4.49 1.97 -3.29 1.92 5.02 -1.26 -4.85 118.16 113.17 3cyr n LYS 27 Ca 0.18 -1.47 -0.38 0.00 -2.02 0.00 0.00 58.31 54.62 3cyr n LYS 27 Cb 0.69 -1.42 -0.06 0.00 -0.02 0.00 0.00 35.03 34.22 3cyr n LYS 27 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3cyr s VAL 28 N -1.68 4.96 0.37 -0.18 1.01 -0.34 -5.03 120.40 119.51 3cyr s VAL 28 Ca 0.34 1.10 -0.28 0.00 0.00 0.00 0.00 61.98 63.14 3cyr s VAL 28 Cb 0.19 -3.86 -0.11 0.00 0.00 0.00 0.00 36.38 32.59 3cyr s VAL 28 CO 0.27 0.45 1.49 -0.62 0.00 0.00 0.00 175.10 176.69 3cyr n GLU 29 N 2.60 2.64 -0.33 2.72 1.02 -1.26 -4.89 120.64 123.15 3cyr n GLU 29 Ca -0.09 0.93 0.07 0.00 -0.02 0.00 0.00 57.16 58.05 3cyr n GLU 29 Cb 0.51 -2.65 0.23 0.00 -0.02 0.00 0.00 31.44 29.50 3cyr n GLU 29 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3cyr h VAL 31 N 0.83 0.07 -1.00 0.00 3.04 -1.91 -0.41 116.25 116.87 3cyr h VAL 31 Ca 0.47 -0.29 0.07 0.00 -1.01 0.00 0.00 66.70 65.94 3cyr h VAL 31 Cb 0.54 1.27 -0.07 0.00 -2.01 0.00 0.00 31.29 31.02 3cyr h VAL 31 CO -0.30 0.01 0.64 0.74 -1.01 0.00 0.00 177.57 177.66 3cyr h THR 32 N 0.00 1.07 0.00 3.17 2.02 -1.72 -3.19 112.91 114.27 3cyr h THR 32 Ca -0.00 -0.40 -0.39 0.00 0.77 0.00 0.00 66.41 66.39 3cyr h THR 32 Cb 0.27 -0.18 -0.06 0.00 -1.74 0.00 0.00 68.15 66.43 3cyr h THR 32 CO 0.00 0.21 -2.30 0.00 0.37 0.00 0.00 175.52 173.80 3cyr n HIS 34 N -4.25 3.41 -1.20 0.00 8.25 -0.21 -4.97 115.22 116.25 3cyr n HIS 34 Ca -0.48 -2.91 -0.31 0.00 -0.26 0.00 0.00 57.72 53.77 3cyr n HIS 34 Cb 0.83 -2.27 0.11 0.00 1.12 0.00 0.00 29.99 29.77 3cyr n HIS 34 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 3cyr s HIS 35 N 1.93 2.45 0.66 4.41 -3.43 -1.20 -4.29 115.29 115.81 3cyr s HIS 35 Ca 0.44 1.51 -0.15 0.00 -0.80 0.00 0.00 55.06 56.06 3cyr s HIS 35 Cb 0.11 -3.09 -0.00 0.00 -1.43 0.00 0.00 32.58 28.17 3cyr s HIS 35 CO -0.03 -2.00 1.12 -0.51 -2.00 0.00 0.00 174.74 171.32 3cyr s LEU 36 N -6.04 3.40 -0.08 5.38 1.43 -1.26 -4.46 118.68 117.06 3cyr s LEU 36 Ca 0.62 2.05 0.00 0.00 -1.03 0.00 0.00 54.13 55.77 3cyr s LEU 36 Cb -0.18 -4.56 0.02 0.00 0.03 0.00 0.00 46.19 41.51 3cyr s LEU 36 CO 0.56 -1.67 -0.06 -0.69 0.23 0.00 0.00 176.35 174.73 3cyr s VAL 37 N -2.27 0.79 -1.54 -1.59 1.01 -0.05 -4.74 120.40 112.01 3cyr s VAL 37 Ca 0.68 -0.19 -0.14 0.00 0.00 0.00 0.00 61.98 62.32 3cyr s VAL 37 Cb -0.22 -0.82 0.10 0.00 0.00 0.00 0.00 36.38 35.45 3cyr s VAL 37 CO 0.41 0.31 0.82 0.47 0.00 0.00 0.00 175.10 177.11 3cyr n ASP 38 N 4.55 -4.21 -0.24 3.32 8.00 -1.26 -1.28 116.55 125.43 3cyr n ASP 38 Ca -0.16 -0.76 -0.03 0.00 0.71 0.00 0.00 54.79 54.55 3cyr n ASP 38 Cb 0.51 -3.40 -0.01 0.00 -0.02 0.00 0.00 41.12 38.19 3cyr n ASP 38 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3cyr n GLY 39 N -1.49 0.58 3.27 0.44 0.00 -1.26 -5.04 105.19 101.69 3cyr n GLY 39 Ca 0.04 -0.26 -0.24 0.00 0.00 0.00 0.00 46.02 45.55 3cyr n GLY 39 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3cyr s LYS 40 N -1.52 1.21 0.52 1.61 1.02 -0.40 -5.06 119.74 117.13 3cyr s LYS 40 Ca 0.00 -1.07 -0.19 0.00 0.02 0.00 0.00 55.97 54.73 3cyr s LYS 40 Cb 0.00 -1.42 -0.07 0.00 -0.52 0.00 0.00 37.83 35.82 3cyr s LYS 40 CO 0.00 0.34 1.05 -1.83 -0.92 0.00 0.00 175.35 173.99 3cyr s GLU 41 N -1.62 3.63 -0.21 1.68 -1.05 -1.26 -0.87 118.70 119.00 3cyr s GLU 41 Ca 0.07 1.33 -0.25 0.00 -0.15 0.00 0.00 54.97 55.97 3cyr s GLU 41 Cb -0.09 -2.07 0.07 0.00 -0.44 0.00 0.00 34.13 31.59 3cyr s GLU 41 CO 0.03 -0.57 0.67 0.45 0.95 0.00 0.00 175.26 176.79 3cyr s SER 42 N -2.20 -0.68 -0.16 0.83 0.15 -1.26 -4.90 113.70 105.48 3cyr s SER 42 Ca 0.67 1.20 0.16 0.00 0.70 0.00 0.00 55.95 58.67 3cyr s SER 42 Cb -0.17 1.18 0.34 0.00 -1.71 0.00 0.00 66.02 65.66 3cyr s SER 42 CO 0.25 -0.32 1.17 -1.22 1.20 0.00 0.00 173.24 174.33 3cyr n TYR 43 N 2.31 0.00 -1.31 3.44 4.01 -1.26 -4.66 117.16 119.68 3cyr n TYR 43 Ca -0.15 -1.17 -0.32 0.00 -0.16 0.00 0.00 57.90 56.10 3cyr n TYR 43 Cb 0.56 -0.19 0.10 0.00 -0.31 0.00 0.00 39.34 39.50 3cyr n TYR 43 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3cyr s ALA 44 N -2.93 2.12 0.35 -0.72 0.00 -1.26 -4.95 121.76 114.36 3cyr s ALA 44 Ca 0.34 0.54 -0.29 0.00 0.00 0.00 0.00 51.96 52.55 3cyr s ALA 44 Cb 0.31 -3.36 -0.12 0.00 0.00 0.00 0.00 23.12 19.95 3cyr s ALA 44 CO -0.01 -1.87 1.45 1.63 0.00 0.00 0.00 175.76 176.96 3cyr n LYS 45 N -3.20 2.50 -0.27 0.00 5.02 -1.26 -4.86 118.16 116.07 3cyr n LYS 45 Ca 0.11 0.88 0.10 0.00 -2.02 0.00 0.00 58.31 57.38 3cyr n LYS 45 Cb 0.52 -2.57 0.35 0.00 -0.02 0.00 0.00 35.03 33.30 3cyr n LYS 45 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3cyr n GLY 47 N -1.42 2.33 3.70 0.00 0.00 -1.26 -1.31 105.19 107.24 3cyr n GLY 47 Ca 0.17 -0.55 -0.34 0.00 0.00 0.00 0.00 46.02 45.29 3cyr n GLY 47 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3cyr s SER 48 N -0.50 3.77 0.21 1.61 0.01 -0.81 -4.29 113.70 113.71 3cyr s SER 48 Ca 0.33 2.39 -0.32 0.00 1.31 0.00 0.00 55.95 59.65 3cyr s SER 48 Cb 0.25 -2.59 -0.13 0.00 0.21 0.00 0.00 66.02 63.76 3cyr s SER 48 CO 0.10 -2.55 1.56 -0.24 0.41 0.00 0.00 173.24 172.52 3cyr n SER 49 N -3.10 3.31 0.00 2.44 2.88 -1.26 -0.48 113.62 117.41 3cyr n SER 49 Ca 0.14 1.11 0.00 0.00 -1.33 0.00 0.00 58.87 58.78 3cyr n SER 49 Cb 0.50 -1.48 0.00 0.00 -0.75 0.00 0.00 64.21 62.48 3cyr n SER 49 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3cyr n GLY 50 N 2.97 1.12 0.00 0.46 0.00 -1.26 -4.97 105.19 103.50 3cyr n GLY 50 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 3cyr n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cyr n HIS 52 N 0.00 2.50 0.90 0.00 8.25 -0.43 -4.75 115.22 121.69 3cyr n HIS 52 Ca 0.00 -2.60 0.06 0.00 -0.26 0.00 0.00 57.72 54.92 3cyr n HIS 52 Cb 0.00 -1.35 0.17 0.00 1.12 0.00 0.00 29.99 29.93 3cyr n HIS 52 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 3cyr n ASP 53 N 1.16 1.88 -4.43 0.41 5.68 -1.13 -3.91 116.55 116.21 3cyr n ASP 53 Ca 0.37 -1.98 -0.44 0.00 -0.50 0.00 0.00 54.79 52.24 3cyr n ASP 53 Cb 0.30 -0.23 -0.06 0.00 -1.14 0.00 0.00 41.12 39.99 3cyr n ASP 53 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 3cyr s ASP 54 N -1.04 6.20 0.00 -1.12 -1.08 -0.57 -4.93 116.67 114.14 3cyr s ASP 54 Ca 0.24 -1.06 0.29 0.00 -0.52 0.00 0.00 52.55 51.50 3cyr s ASP 54 Cb 0.13 -2.26 1.19 0.00 -1.46 0.00 0.00 42.92 40.51 3cyr s ASP 54 CO 0.17 -0.84 1.82 0.18 0.52 0.00 0.00 175.17 177.02 3cyr n LEU 55 N 5.93 0.97 -0.03 -1.34 4.77 -1.26 -2.62 117.00 123.42 3cyr n LEU 55 Ca -0.08 -0.28 -0.03 0.00 -0.03 0.00 0.00 56.01 55.59 3cyr n LEU 55 Cb 0.45 -0.05 -0.04 0.00 -2.33 0.00 0.00 43.42 41.45 3cyr n LEU 55 CO 0.53 0.17 -0.67 0.35 -1.33 0.00 0.00 177.39 176.43 3cyr n THR 56 N -0.37 0.35 -2.32 -5.08 -2.24 -1.26 -3.55 114.28 99.82 3cyr n THR 56 Ca 0.18 -0.20 -0.35 0.00 -2.27 0.00 0.00 64.05 61.41 3cyr n THR 56 Cb 0.30 -0.84 -0.01 0.00 -2.10 0.00 0.00 70.33 67.68 3cyr n THR 56 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3cyr s ALA 57 N -2.12 2.74 -0.94 6.98 0.00 -1.26 -4.96 121.76 122.19 3cyr s ALA 57 Ca -0.04 0.77 0.20 0.00 0.00 0.00 0.00 51.96 52.90 3cyr s ALA 57 Cb 0.02 -3.33 -0.22 0.00 0.00 0.00 0.00 23.12 19.58 3cyr s ALA 57 CO 0.20 -0.67 0.85 1.63 0.00 0.00 0.00 175.76 177.78 3cyr n LYS 58 N -1.23 0.33 -4.12 0.00 4.76 -1.26 -4.42 118.16 112.22 3cyr n LYS 58 Ca 0.11 -0.00 -0.13 0.00 -2.87 0.00 0.00 58.31 55.41 3cyr n LYS 58 Cb 0.51 -1.45 -0.11 0.00 -1.84 0.00 0.00 35.03 32.14 3cyr n LYS 58 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 3cyr s LYS 59 N -2.91 0.70 0.00 1.97 1.02 -1.26 -4.01 119.74 115.25 3cyr s LYS 59 Ca 0.07 -1.00 0.00 0.00 0.02 0.00 0.00 55.97 55.07 3cyr s LYS 59 Cb 0.15 -0.39 0.00 0.00 -0.52 0.00 0.00 37.83 37.07 3cyr s LYS 59 CO 0.83 0.06 0.00 0.41 -0.92 0.00 0.00 175.35 175.73 3cyr n GLY 60 N 0.91 2.76 0.26 -3.33 0.00 -1.26 -4.58 105.19 99.94 3cyr n GLY 60 Ca -0.19 -1.82 0.09 0.00 0.00 0.00 0.00 46.02 44.10 3cyr n GLY 60 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3cyr h GLU 61 N 0.00 0.00 -0.00 1.61 4.22 -2.00 -2.00 114.58 116.41 3cyr h GLU 61 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 3cyr h GLU 61 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3cyr h GLU 61 CO 0.00 0.05 -0.15 1.63 -2.18 0.00 0.00 179.01 178.36 3cyr n LYS 62 N -4.31 0.64 -2.89 1.92 5.02 -1.26 -4.77 118.16 112.52 3cyr n LYS 62 Ca -0.03 -0.25 -0.42 0.00 -2.02 0.00 0.00 58.31 55.59 3cyr n LYS 62 Cb 0.13 -1.49 -0.04 0.00 -0.02 0.00 0.00 35.03 33.61 3cyr n LYS 62 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3cyr s SER 63 N -2.53 6.87 0.25 4.39 0.15 -0.75 -1.51 113.70 120.57 3cyr s SER 63 Ca 0.26 1.08 -0.02 0.00 0.70 0.00 0.00 55.95 57.97 3cyr s SER 63 Cb 0.20 -2.44 0.32 0.00 -1.71 0.00 0.00 66.02 62.38 3cyr s SER 63 CO 0.50 -0.48 1.74 0.25 1.20 0.00 0.00 173.24 176.45 3cyr h LEU 64 N 8.92 0.76 -0.69 3.45 5.85 -1.62 -2.65 115.31 129.33 3cyr h LEU 64 Ca -0.25 -0.20 0.04 0.00 0.84 0.00 0.00 57.88 58.32 3cyr h LEU 64 Cb 1.10 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 41.88 3cyr h LEU 64 CO 0.86 0.85 0.41 0.22 -0.34 0.00 0.00 178.44 180.44 3cyr h TYR 65 N 0.73 0.77 -0.37 1.25 5.03 -1.81 -2.65 116.97 119.91 3cyr h TYR 65 Ca 0.14 0.02 -0.06 0.00 2.58 0.00 0.00 58.73 61.42 3cyr h TYR 65 Cb 0.49 -0.24 -0.01 0.00 1.55 0.00 0.00 36.73 38.51 3cyr h TYR 65 CO 0.03 0.40 0.01 -0.92 -1.32 0.00 0.00 178.16 176.36 3cyr h TYR 66 N 0.78 0.70 0.00 -3.82 3.20 -1.61 -0.52 116.97 115.70 3cyr h TYR 66 Ca 0.29 -0.12 0.00 0.00 3.14 0.00 0.00 58.73 62.05 3cyr h TYR 66 Cb 0.10 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 38.19 3cyr h TYR 66 CO -0.06 0.73 0.00 -0.39 -1.64 0.00 0.00 178.16 176.80 3cyr h VAL 67 N 0.46 0.00 0.01 1.81 -1.51 -1.39 -1.23 116.25 114.41 3cyr h VAL 67 Ca 0.11 -0.38 -0.23 0.00 -1.23 0.00 0.00 66.70 64.96 3cyr h VAL 67 Cb 0.44 1.26 -0.03 0.00 -2.13 0.00 0.00 31.29 30.83 3cyr h VAL 67 CO 0.02 0.00 -1.26 0.58 -1.23 0.00 0.00 177.57 175.67 3cyr h VAL 68 N 0.00 0.94 0.00 7.19 2.07 -1.32 -3.36 116.25 121.77 3cyr h VAL 68 Ca 0.00 -2.21 0.00 0.00 0.82 0.00 0.00 66.70 65.31 3cyr h VAL 68 Cb 0.45 2.31 0.00 0.00 -1.52 0.00 0.00 31.29 32.54 3cyr h VAL 68 CO 0.00 0.38 -1.28 1.41 0.02 0.00 0.00 177.57 178.10 3cyr n HIS 69 N -4.35 0.00 -1.80 1.57 8.25 -0.21 -2.48 115.22 116.19 3cyr n HIS 69 Ca -0.31 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 56.74 3cyr n HIS 69 Cb 0.71 -0.16 -0.01 0.00 1.12 0.00 0.00 29.99 31.65 3cyr n HIS 69 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3cyr s ALA 70 N -3.06 3.67 -0.08 -1.41 0.00 -0.47 -4.74 121.76 115.68 3cyr s ALA 70 Ca 0.02 1.56 0.14 0.00 0.00 0.00 0.00 51.96 53.68 3cyr s ALA 70 Cb 0.14 -3.63 -0.10 0.00 0.00 0.00 0.00 23.12 19.53 3cyr s ALA 70 CO 0.82 -1.00 1.07 0.87 0.00 0.00 0.00 175.76 177.53 3cyr h LYS 71 N 4.12 0.00 -3.53 0.00 1.57 -1.93 -3.34 116.57 113.47 3cyr h LYS 71 Ca -0.48 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.20 3cyr h LYS 71 Cb 1.23 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.48 3cyr h LYS 71 CO 0.73 0.51 0.02 0.20 -0.57 0.00 0.00 179.45 180.34 3cyr s GLY 72 N -4.72 0.70 -1.27 3.86 0.00 -1.26 -4.54 107.32 100.09 3cyr s GLY 72 Ca -0.00 -0.97 -0.01 0.00 0.00 0.00 0.00 44.72 43.73 3cyr s GLY 72 CO 0.79 -0.58 0.75 -1.84 0.00 0.00 0.00 173.10 172.22 3cyr n GLU 73 N -0.49 -4.82 -4.32 2.90 0.28 -1.26 -5.04 120.64 107.89 3cyr n GLU 73 Ca -0.03 0.65 -0.24 0.00 -0.16 0.00 0.00 57.16 57.38 3cyr n GLU 73 Cb 0.61 -5.25 -0.08 0.00 1.43 0.00 0.00 31.44 28.15 3cyr n GLU 73 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 3cyr s LEU 74 N -6.56 3.01 0.43 -1.84 1.02 -1.26 -5.03 118.68 108.44 3cyr s LEU 74 Ca 0.05 -0.96 0.26 0.00 0.02 0.00 0.00 54.13 53.49 3cyr s LEU 74 Cb -0.01 -1.39 0.64 0.00 0.02 0.00 0.00 46.19 45.45 3cyr s LEU 74 CO 0.80 -0.23 1.71 0.11 0.02 0.00 0.00 176.35 178.76 3cyr h LYS 75 N 1.79 0.00 -4.25 1.70 1.57 -2.04 -3.45 116.57 111.88 3cyr h LYS 75 Ca -0.43 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.21 3cyr h LYS 75 Cb 1.25 0.00 -0.15 0.00 0.08 0.00 0.00 32.23 33.42 3cyr h LYS 75 CO 0.66 0.00 -0.60 -1.01 -0.57 0.00 0.00 179.45 177.94 3cyr s HIS 76 N -3.30 0.64 -0.01 -1.35 3.76 -1.26 -5.14 115.29 108.63 3cyr s HIS 76 Ca 0.06 -1.07 -0.29 0.00 -0.15 0.00 0.00 55.06 53.60 3cyr s HIS 76 Cb 0.07 -0.37 -0.03 0.00 1.11 0.00 0.00 32.58 33.36 3cyr s HIS 76 CO 0.62 -0.50 0.96 0.99 -0.85 0.00 0.00 174.74 175.96 3cyr s THR 77 N -3.98 4.88 0.60 1.30 2.01 -1.26 -5.06 115.64 114.13 3cyr s THR 77 Ca 0.16 2.01 -0.04 0.00 0.31 0.00 0.00 61.69 64.14 3cyr s THR 77 Cb 0.07 -4.30 0.03 0.00 0.01 0.00 0.00 72.50 68.31 3cyr s THR 77 CO -0.03 0.16 0.88 -0.94 -0.69 0.00 0.00 174.62 174.01 3cyr s SER 78 N 1.00 5.32 0.12 3.53 1.04 -1.26 -4.89 113.70 118.56 3cyr s SER 78 Ca 0.51 0.44 -0.20 0.00 0.48 0.00 0.00 55.95 57.18 3cyr s SER 78 Cb -0.21 -1.34 -0.06 0.00 0.10 0.00 0.00 66.02 64.51 3cyr s SER 78 CO 0.27 -1.20 1.74 0.00 0.98 0.00 0.00 173.24 175.03 3cyr h LEU 80 N 0.12 0.20 -0.13 0.00 -0.00 -1.73 -2.11 115.31 111.66 3cyr h LEU 80 Ca 0.07 -0.07 -0.01 0.00 -0.00 0.00 0.00 57.88 57.88 3cyr h LEU 80 Cb 0.06 -0.06 -0.01 0.00 -0.00 0.00 0.00 40.66 40.66 3cyr h LEU 80 CO -0.09 0.51 0.05 0.00 -0.00 0.00 0.00 178.44 178.91 3cyr h ALA 81 N 1.51 0.17 -0.31 1.53 0.00 -1.64 -0.90 119.26 119.62 3cyr h ALA 81 Ca 0.03 -0.10 -0.11 0.00 0.00 0.00 0.00 54.91 54.72 3cyr h ALA 81 Cb 0.63 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 3cyr h ALA 81 CO 0.05 -0.24 -0.23 0.00 0.00 0.00 0.00 179.25 178.83 3cyr h HIS 83 N 0.45 0.49 -0.20 0.00 -0.00 -1.30 -1.32 115.15 113.27 3cyr h HIS 83 Ca 0.06 -0.02 -0.04 0.00 -0.00 0.00 0.00 60.37 60.37 3cyr h HIS 83 Cb 0.78 -0.16 -0.01 0.00 -0.00 0.00 0.00 27.41 28.02 3cyr h HIS 83 CO 0.07 0.40 -0.06 1.03 -0.00 0.00 0.00 177.93 179.36 3cyr h SER 84 N 0.50 0.28 0.23 2.45 0.87 -1.11 -1.29 113.55 115.48 3cyr h SER 84 Ca 0.12 -0.05 -0.18 0.00 -1.23 0.00 0.00 61.79 60.45 3cyr h SER 84 Cb 0.12 -0.07 -0.00 0.00 -0.44 0.00 0.00 62.40 62.01 3cyr h SER 84 CO -0.01 0.39 -0.71 0.11 -0.53 0.00 0.00 176.83 176.08 3cyr h LYS 85 N 0.29 0.43 -0.39 2.24 1.57 -1.18 -2.62 116.57 116.92 3cyr h LYS 85 Ca 0.06 -0.34 -0.05 0.00 -1.87 0.00 0.00 60.65 58.45 3cyr h LYS 85 Cb 0.31 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.67 3cyr h LYS 85 CO 0.01 0.97 0.03 0.28 -0.57 0.00 0.00 179.45 180.18 3cyr h VAL 86 N 0.29 1.25 0.00 0.50 2.07 -0.94 -2.98 116.25 116.45 3cyr h VAL 86 Ca -0.03 -0.94 -0.03 0.00 0.82 0.00 0.00 66.70 66.52 3cyr h VAL 86 Cb 1.29 1.10 -0.00 0.00 -1.52 0.00 0.00 31.29 32.15 3cyr h VAL 86 CO 0.12 0.32 -0.16 0.58 0.02 0.00 0.00 177.57 178.45 3cyr h VAL 87 N 0.50 0.86 -0.20 2.57 2.07 -1.22 0.14 116.25 120.97 3cyr h VAL 87 Ca 0.11 -0.62 -0.07 0.00 0.82 0.00 0.00 66.70 66.94 3cyr h VAL 87 Cb 0.42 1.36 -0.01 0.00 -1.52 0.00 0.00 31.29 31.54 3cyr h VAL 87 CO 0.01 0.16 -0.19 0.00 0.02 0.00 0.00 177.57 177.58 3cyr h ALA 88 N 1.84 1.31 0.00 1.67 0.00 -1.31 -1.92 119.26 120.84 3cyr h ALA 88 Ca -0.00 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 3cyr h ALA 88 Cb 0.35 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 3cyr h ALA 88 CO 0.02 0.46 -1.03 0.93 0.00 0.00 0.00 179.25 179.64 3cyr h GLU 89 N 0.32 0.00 -2.35 0.00 5.08 -1.35 -3.40 114.58 112.88 3cyr h GLU 89 Ca 0.06 0.00 -0.59 0.00 -1.00 0.00 0.00 59.36 57.83 3cyr h GLU 89 Cb 0.52 0.00 -0.39 0.00 0.50 0.00 0.00 28.75 29.38 3cyr h GLU 89 CO 0.03 0.02 -0.94 1.63 -1.00 0.00 0.00 179.01 178.76 3cyr n LYS 90 N -2.70 0.67 0.29 2.33 5.02 0.41 -4.99 118.16 119.19 3cyr n LYS 90 Ca -0.01 -3.44 0.20 0.00 -2.02 0.00 0.00 58.31 53.04 3cyr n LYS 90 Cb 0.57 -1.67 0.98 0.00 -0.02 0.00 0.00 35.03 34.90 3cyr n LYS 90 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 3cyr h PRO 91 N 5.09 0.00 0.00 1.97 0.13 -1.59 -1.77 132.00 135.84 3cyr h PRO 91 Ca 0.20 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.33 3cyr h PRO 91 Cb 0.87 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.00 3cyr h PRO 91 CO 0.47 0.00 0.00 1.05 -0.23 0.00 0.00 178.00 179.29 3cyr h GLU 92 N 0.00 0.00 -0.73 0.86 9.09 -1.94 -2.72 114.58 119.14 3cyr h GLU 92 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 3cyr h GLU 92 Cb 0.13 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.23 3cyr h GLU 92 CO 0.00 0.00 0.00 1.28 0.05 0.00 0.00 179.01 180.34 3cyr n LEU 93 N -2.77 4.07 -0.02 3.06 4.77 -0.66 -4.67 117.00 120.79 3cyr n LEU 93 Ca -0.01 -2.04 -0.09 0.00 -0.03 0.00 0.00 56.01 53.84 3cyr n LEU 93 Cb 0.13 -0.51 -0.02 0.00 -2.33 0.00 0.00 43.42 40.69 3cyr n LEU 93 CO 0.19 0.96 0.73 0.50 -1.33 0.00 0.00 177.39 178.44 3cyr h LYS 94 N 4.28 -0.21 -0.31 3.23 3.64 -1.67 -1.63 116.57 123.89 3cyr h LYS 94 Ca 0.00 0.01 -0.17 0.00 -1.27 0.00 0.00 60.65 59.22 3cyr h LYS 94 Cb 1.06 0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.92 3cyr h LYS 94 CO 0.04 -0.14 -0.48 -0.22 -2.27 0.00 0.00 179.45 176.38 3cyr h LYS 95 N -0.22 0.85 -0.88 1.90 3.64 -1.86 -0.50 116.57 119.50 3cyr h LYS 95 Ca 0.12 -0.50 -0.01 0.00 -1.27 0.00 0.00 60.65 58.99 3cyr h LYS 95 Cb 0.39 0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.21 3cyr h LYS 95 CO -0.31 1.13 0.52 -0.44 -2.27 0.00 0.00 179.45 178.08 3cyr h ASP 96 N 0.67 1.08 0.07 4.20 3.32 -1.78 -1.78 116.42 122.19 3cyr h ASP 96 Ca 0.03 -0.07 -0.01 0.00 0.02 0.00 0.00 57.03 57.00 3cyr h ASP 96 Cb 1.07 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 40.35 3cyr h ASP 96 CO 0.11 0.84 -1.95 0.18 -1.72 0.00 0.00 179.24 176.70 3cyr n LEU 97 N -4.35 0.06 0.00 1.55 4.77 -0.64 -1.44 117.00 116.95 3cyr n LEU 97 Ca 0.10 0.02 0.00 0.00 -0.03 0.00 0.00 56.01 56.10 3cyr n LEU 97 Cb 0.07 0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 3cyr n LEU 97 CO 0.38 0.01 0.05 0.35 -1.33 0.00 0.00 177.39 176.85 3cyr n THR 98 N -2.30 0.00 -2.24 -5.08 -2.24 -0.20 -4.91 114.28 97.30 3cyr n THR 98 Ca -0.05 -0.42 -0.36 0.00 -2.27 0.00 0.00 64.05 60.95 3cyr n THR 98 Cb 0.59 1.04 -0.00 0.00 -2.10 0.00 0.00 70.33 69.85 3cyr n THR 98 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3cyr s GLY 99 N -0.64 2.73 0.16 3.38 0.00 -0.67 -4.94 107.32 107.33 3cyr s GLY 99 Ca 0.00 0.90 0.25 0.00 0.00 0.00 0.00 44.72 45.87 3cyr s GLY 99 CO 0.00 1.32 1.44 0.00 0.00 0.00 0.00 173.10 175.87 3cyr s ALA 101 N -3.16 -0.22 -1.58 0.00 0.00 -1.26 -4.84 121.76 110.70 3cyr s ALA 101 Ca 0.07 -0.07 -0.04 0.00 0.00 0.00 0.00 51.96 51.92 3cyr s ALA 101 Cb 0.13 0.02 0.01 0.00 0.00 0.00 0.00 23.12 23.27 3cyr s ALA 101 CO 0.69 -0.14 0.53 1.63 0.00 0.00 0.00 175.76 178.46 3cyr n LYS 102 N 2.03 -4.46 -3.59 0.00 5.02 -0.50 -5.01 118.16 111.64 3cyr n LYS 102 Ca -0.19 0.91 -0.24 0.00 -2.02 0.00 0.00 58.31 56.77 3cyr n LYS 102 Cb 0.57 -5.75 0.02 0.00 -0.02 0.00 0.00 35.03 29.85 3cyr n LYS 102 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3cyr s SER 103 N -2.62 4.78 0.50 4.39 1.04 -0.88 -4.72 113.70 116.18 3cyr s SER 103 Ca 0.27 -1.13 0.29 0.00 0.48 0.00 0.00 55.95 55.85 3cyr s SER 103 Cb -0.12 0.43 1.18 0.00 0.10 0.00 0.00 66.02 67.62 3cyr s SER 103 CO 0.33 -1.22 1.92 0.11 0.98 0.00 0.00 173.24 175.37 3cyr h LYS 104 N 0.52 0.00 0.20 4.02 1.79 -1.48 -2.67 116.57 118.95 3cyr h LYS 104 Ca -0.34 0.00 -0.34 0.00 -2.18 0.00 0.00 60.65 57.79 3cyr h LYS 104 Cb 1.30 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 31.97 3cyr h LYS 104 CO 0.51 0.12 -1.66 0.00 -1.08 0.00 0.00 179.45 177.34 3cyr n HIS 106 N -3.61 1.69 0.52 0.00 8.25 -1.19 -4.70 115.22 116.18 3cyr n HIS 106 Ca -0.22 -3.93 0.04 0.00 -0.26 0.00 0.00 57.72 53.35 3cyr n HIS 106 Cb 1.08 -0.30 0.25 0.00 1.12 0.00 0.00 29.99 32.14 3cyr n HIS 106 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63