#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ctt s SER 2 N 0.00 -0.42 -0.16 1.61 0.01 -1.26 -5.18 113.70 108.30 2ctt s SER 2 Ca 0.00 -0.27 -0.16 0.00 1.31 0.00 0.00 55.95 56.83 2ctt s SER 2 Cb 0.00 0.65 0.04 0.00 0.21 0.00 0.00 66.02 66.92 2ctt s SER 2 CO 0.00 -1.12 0.45 -0.55 0.41 0.00 0.00 173.24 172.44 2ctt s SER 3 N -2.82 -0.46 0.00 2.44 0.15 -1.26 -5.17 113.70 106.57 2ctt s SER 3 Ca 0.06 0.87 0.00 0.00 0.70 0.00 0.00 55.95 57.58 2ctt s SER 3 Cb -0.03 0.89 0.00 0.00 -1.71 0.00 0.00 66.02 65.17 2ctt s SER 3 CO -0.04 -0.19 0.00 0.61 1.20 0.00 0.00 173.24 174.82 2ctt n GLY 4 N 2.70 3.05 3.60 9.45 0.00 -1.26 -5.16 105.19 117.56 2ctt n GLY 4 Ca -0.14 -1.96 -0.04 0.00 0.00 0.00 0.00 46.02 43.89 2ctt n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2ctt s SER 5 N -0.50 -0.16 0.32 1.61 0.15 -1.26 -5.19 113.70 108.67 2ctt s SER 5 Ca 0.00 -0.07 -0.03 0.00 0.70 0.00 0.00 55.95 56.55 2ctt s SER 5 Cb 0.00 0.22 -0.00 0.00 -1.71 0.00 0.00 66.02 64.52 2ctt s SER 5 CO 0.00 -0.37 0.43 -0.44 1.20 0.00 0.00 173.24 174.06 2ctt s SER 6 N -2.49 0.78 0.33 5.45 0.01 -1.26 -5.19 113.70 111.34 2ctt s SER 6 Ca 0.10 -1.43 -0.02 0.00 1.31 0.00 0.00 55.95 55.91 2ctt s SER 6 Cb 0.00 0.62 0.01 0.00 0.21 0.00 0.00 66.02 66.86 2ctt s SER 6 CO -0.05 -1.22 0.47 0.61 0.41 0.00 0.00 173.24 173.46 2ctt n GLY 7 N -0.52 2.14 3.68 3.44 0.00 -1.26 -5.19 105.19 107.48 2ctt n GLY 7 Ca 0.01 -1.59 0.00 0.00 0.00 0.00 0.00 46.02 44.44 2ctt n GLY 7 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2ctt s MET 8 N -2.74 0.60 -0.25 1.61 -2.45 -1.26 -5.19 119.30 109.63 2ctt s MET 8 Ca 0.27 -0.34 -0.28 0.00 -1.25 0.00 0.00 55.69 54.09 2ctt s MET 8 Cb -0.01 0.20 0.17 0.00 1.25 0.00 0.00 34.83 36.44 2ctt s MET 8 CO 0.19 -0.28 1.24 -2.00 1.05 0.00 0.00 175.02 175.22 2ctt s GLU 9 N -2.59 0.26 -0.29 4.11 -6.30 -1.26 -5.18 118.70 107.45 2ctt s GLU 9 Ca 0.15 0.12 -0.17 0.00 -2.50 0.00 0.00 54.97 52.57 2ctt s GLU 9 Cb 0.03 0.12 0.16 0.00 0.00 0.00 0.00 34.13 34.44 2ctt s GLU 9 CO -0.02 -0.07 1.06 -0.48 0.02 0.00 0.00 175.26 175.77 2ctt s LEU 10 N -0.74 -0.39 -0.09 2.70 2.34 -1.26 -5.18 118.68 116.06 2ctt s LEU 10 Ca 0.05 0.63 -0.30 0.00 0.06 0.00 0.00 54.13 54.57 2ctt s LEU 10 Cb -0.02 1.58 0.09 0.00 -0.56 0.00 0.00 46.19 47.28 2ctt s LEU 10 CO -0.06 -0.10 0.78 -0.89 -1.06 0.00 0.00 176.35 175.02 2ctt s THR 11 N 1.17 0.00 -0.27 5.48 2.01 -1.26 -5.18 115.64 117.59 2ctt s THR 11 Ca -0.08 0.00 -0.26 0.00 0.31 0.00 0.00 61.69 61.66 2ctt s THR 11 Cb -0.03 -1.00 0.16 0.00 0.01 0.00 0.00 72.50 71.63 2ctt s THR 11 CO -0.13 0.00 1.22 0.72 -0.69 0.00 0.00 174.62 175.73 2ctt s PHE 12 N -1.09 -0.25 -0.30 4.92 -0.12 -1.26 -5.17 117.98 114.71 2ctt s PHE 12 Ca -0.08 0.56 -0.14 0.00 -0.05 0.00 0.00 56.93 57.22 2ctt s PHE 12 Cb -0.00 0.44 0.16 0.00 -0.63 0.00 0.00 43.02 42.98 2ctt s PHE 12 CO 0.07 -0.15 0.94 1.21 -0.05 0.00 0.00 175.22 177.24 2ctt s ASN 13 N -0.23 -0.65 0.30 1.98 3.84 -1.26 -5.18 114.94 113.74 2ctt s ASN 13 Ca 0.05 0.90 -0.01 0.00 0.21 0.00 0.00 52.86 54.01 2ctt s ASN 13 Cb -0.04 1.72 -0.01 0.00 -0.55 0.00 0.00 41.25 42.37 2ctt s ASN 13 CO -0.08 -0.13 0.36 -1.10 -2.79 0.00 0.00 177.10 173.36 2ctt s GLN 14 N 2.45 1.69 -0.30 0.43 -0.21 -1.26 -5.17 119.66 117.30 2ctt s GLN 14 Ca -0.03 -1.73 -0.16 0.00 0.02 0.00 0.00 55.36 53.45 2ctt s GLN 14 Cb -0.07 0.39 0.17 0.00 1.00 0.00 0.00 33.01 34.50 2ctt s GLN 14 CO -0.18 -0.66 1.09 0.00 -2.12 0.00 0.00 175.29 173.42 2ctt s ALA 15 N -3.48 -2.78 0.05 6.09 0.00 -1.26 -5.18 121.76 115.20 2ctt s ALA 15 Ca 0.34 2.00 -0.27 0.00 0.00 0.00 0.00 51.96 54.03 2ctt s ALA 15 Cb 0.02 -2.05 0.09 0.00 0.00 0.00 0.00 23.12 21.18 2ctt s ALA 15 CO 0.19 -0.79 0.85 0.00 0.00 0.00 0.00 175.76 176.01 2ctt s ALA 16 N 2.01 -1.75 -0.22 0.00 0.00 -1.26 -5.15 121.76 115.39 2ctt s ALA 16 Ca -0.03 0.77 0.00 0.00 0.00 0.00 0.00 51.96 52.69 2ctt s ALA 16 Cb -0.04 0.54 0.06 0.00 0.00 0.00 0.00 23.12 23.68 2ctt s ALA 16 CO -0.16 -0.76 -0.04 0.15 0.00 0.00 0.00 175.76 174.95 2ctt s LYS 17 N -3.27 1.50 -0.37 0.00 1.02 -1.26 -5.05 119.74 112.31 2ctt s LYS 17 Ca 0.06 -0.89 0.03 0.00 0.02 0.00 0.00 55.97 55.19 2ctt s LYS 17 Cb -0.01 -2.49 0.19 0.00 -0.52 0.00 0.00 37.83 34.99 2ctt s LYS 17 CO -0.08 -0.59 0.72 0.20 -0.92 0.00 0.00 175.35 174.69 2ctt s GLY 18 N 1.47 -1.30 0.14 -3.33 0.00 -1.26 -5.16 107.32 97.87 2ctt s GLY 18 Ca -0.05 0.66 -0.05 0.00 0.00 0.00 0.00 44.72 45.28 2ctt s GLY 18 CO -0.07 3.82 0.16 -1.34 0.00 0.00 0.00 173.10 175.67 2ctt s VAL 19 N 2.09 0.09 -0.24 1.40 -7.23 -1.26 -5.08 120.40 110.17 2ctt s VAL 19 Ca 0.15 -1.64 -0.04 0.00 -1.81 0.00 0.00 61.98 58.64 2ctt s VAL 19 Cb -0.04 -1.89 -0.14 0.00 0.56 0.00 0.00 36.38 34.88 2ctt s VAL 19 CO -0.12 -0.43 -0.26 -0.46 -0.31 0.00 0.00 175.10 173.52 2ctt n ASN 20 N -0.14 2.01 -4.16 4.85 0.23 -1.26 -5.01 115.26 111.78 2ctt n ASN 20 Ca -0.07 0.05 -0.35 0.00 -0.53 0.00 0.00 54.58 53.68 2ctt n ASN 20 Cb 0.63 -0.53 0.12 0.00 -2.08 0.00 0.00 39.78 37.92 2ctt n ASN 20 CO 0.00 0.00 0.00 1.17 -0.93 0.00 0.00 177.26 177.50 2ctt n LYS 21 N -3.58 -0.98 -4.29 -3.83 4.81 -1.26 -5.00 118.16 104.02 2ctt n LYS 21 Ca -0.45 -0.28 -0.27 0.00 -0.87 0.00 0.00 58.31 56.44 2ctt n LYS 21 Cb 0.91 -1.42 -0.09 0.00 0.02 0.00 0.00 35.03 34.45 2ctt n LYS 21 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 2ctt s GLU 22 N -2.86 2.06 0.36 1.64 0.41 -1.26 -5.14 118.70 113.89 2ctt s GLU 22 Ca 0.48 -1.26 0.03 0.00 -0.41 0.00 0.00 54.97 53.81 2ctt s GLU 22 Cb -0.03 -2.16 -0.04 0.00 -1.78 0.00 0.00 34.13 30.12 2ctt s GLU 22 CO 0.66 0.44 0.10 -0.06 -0.49 0.00 0.00 175.26 175.90 2ctt s PHE 23 N -1.69 1.82 0.04 1.61 0.40 -1.26 -5.09 117.98 113.82 2ctt s PHE 23 Ca 0.25 -1.15 -0.28 0.00 -0.60 0.00 0.00 56.93 55.15 2ctt s PHE 23 Cb -0.09 -1.17 -0.15 0.00 0.51 0.00 0.00 43.02 42.12 2ctt s PHE 23 CO 0.15 -0.19 0.70 0.25 0.70 0.00 0.00 175.22 176.83 2ctt n THR 24 N -0.77 0.43 -1.15 0.64 -2.24 -1.26 -4.66 114.28 105.27 2ctt n THR 24 Ca -0.04 -0.11 -0.40 0.00 -2.27 0.00 0.00 64.05 61.23 2ctt n THR 24 Cb 0.66 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.86 2ctt n THR 24 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05 2ctt n VAL 25 N 0.82 1.51 -4.02 2.28 3.14 -1.26 -4.96 118.33 115.84 2ctt n VAL 25 Ca 0.15 -0.38 -0.24 0.00 -2.96 0.00 0.00 64.34 60.91 2ctt n VAL 25 Cb 0.10 0.00 -0.06 0.00 -1.06 0.00 0.00 33.84 32.82 2ctt n VAL 25 CO 0.00 0.00 0.00 0.20 -6.46 0.00 0.00 176.83 170.57 2ctt s ASN 26 N -0.75 4.55 0.04 6.55 0.01 -1.26 -5.05 114.94 119.03 2ctt s ASN 26 Ca 0.54 -1.04 -0.26 0.00 -0.71 0.00 0.00 52.86 51.40 2ctt s ASN 26 Cb -0.78 -0.41 -0.13 0.00 0.41 0.00 0.00 41.25 40.33 2ctt s ASN 26 CO 0.46 -0.61 0.64 -0.38 -1.51 0.00 0.00 177.10 175.70 2ctt n ILE 27 N -1.34 0.35 -3.89 0.60 -0.00 -1.26 -4.94 119.36 108.89 2ctt n ILE 27 Ca -0.01 -0.09 -0.28 0.00 -0.00 0.00 0.00 62.75 62.38 2ctt n ILE 27 Cb 0.64 0.00 -0.17 0.00 -0.00 0.00 0.00 39.64 40.12 2ctt n ILE 27 CO 0.00 0.00 0.00 -0.04 -0.00 0.00 0.00 176.55 176.51 2ctt s MET 28 N -0.18 1.45 0.36 0.38 -1.94 -1.26 -3.94 119.30 114.17 2ctt s MET 28 Ca 0.58 -0.47 0.04 0.00 -1.71 0.00 0.00 55.69 54.13 2ctt s MET 28 Cb -0.82 -1.93 -0.04 0.00 2.01 0.00 0.00 34.83 34.05 2ctt s MET 28 CO 0.39 -0.40 0.13 0.34 -0.01 0.00 0.00 175.02 175.47 2ctt s ASP 29 N 1.65 2.28 0.20 3.03 2.15 -0.75 -4.95 116.67 120.27 2ctt s ASP 29 Ca 0.02 -1.58 -0.30 0.00 0.43 0.00 0.00 52.55 51.11 2ctt s ASP 29 Cb -0.15 0.36 -0.08 0.00 -0.30 0.00 0.00 42.92 42.76 2ctt s ASP 29 CO -0.08 -0.86 1.00 -0.89 -0.17 0.00 0.00 175.17 174.17 2ctt s THR 30 N -3.36 4.07 0.99 1.71 2.01 -1.26 -0.46 115.64 119.33 2ctt s THR 30 Ca 0.30 1.91 -0.15 0.00 0.31 0.00 0.00 61.69 64.06 2ctt s THR 30 Cb 0.04 -4.22 0.02 0.00 0.01 0.00 0.00 72.50 68.36 2ctt s THR 30 CO 0.16 0.39 0.09 0.00 -0.69 0.00 0.00 174.62 174.57 2ctt n GLU 32 N -1.07 3.16 -0.10 0.00 1.02 -1.26 -3.53 120.64 118.86 2ctt n GLU 32 Ca 0.04 0.00 -0.14 0.00 -0.02 0.00 0.00 57.16 57.04 2ctt n GLU 32 Cb 0.56 -1.09 -0.03 0.00 -0.02 0.00 0.00 31.44 30.86 2ctt n GLU 32 CO 0.00 0.00 0.00 -0.09 1.18 0.00 0.00 177.13 178.22 2ctt h ARG 33 N 0.00 0.92 0.00 3.49 2.43 -1.96 -3.29 114.38 115.97 2ctt h ARG 33 Ca -0.10 -0.52 0.00 0.00 -0.81 0.00 0.00 59.98 58.55 2ctt h ARG 33 Cb 1.22 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.81 2ctt h ARG 33 CO 0.00 1.17 -0.71 0.00 -1.51 0.00 0.00 179.97 178.93 2ctt n ASN 35 N -1.37 -5.71 -0.72 0.00 4.13 -1.23 -2.34 115.26 108.01 2ctt n ASN 35 Ca 0.02 -0.40 -0.06 0.00 1.68 0.00 0.00 54.58 55.82 2ctt n ASN 35 Cb 0.21 -4.39 -0.00 0.00 -1.54 0.00 0.00 39.78 34.06 2ctt n ASN 35 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2ctt n GLY 36 N -1.69 0.14 0.16 7.41 0.00 -1.24 -4.87 105.19 105.09 2ctt n GLY 36 Ca -0.02 -0.63 -0.24 0.00 0.00 0.00 0.00 46.02 45.13 2ctt n GLY 36 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2ctt n LYS 37 N -1.59 0.55 0.00 1.61 4.76 -0.99 -4.82 118.16 117.69 2ctt n LYS 37 Ca -0.07 0.24 0.00 0.00 -2.87 0.00 0.00 58.31 55.61 2ctt n LYS 37 Cb 0.55 -1.44 0.00 0.00 -1.84 0.00 0.00 35.03 32.30 2ctt n LYS 37 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2ctt n GLY 38 N 1.37 1.69 3.38 0.72 0.00 -1.26 -4.84 105.19 106.24 2ctt n GLY 38 Ca -0.43 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.46 2ctt n GLY 38 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ctt s ASN 39 N -2.00 -0.41 0.39 1.61 4.22 -1.26 -2.91 114.94 114.57 2ctt s ASN 39 Ca 0.00 -0.03 -0.27 0.00 -2.14 0.00 0.00 52.86 50.42 2ctt s ASN 39 Cb 0.00 0.52 -0.10 0.00 1.28 0.00 0.00 41.25 42.95 2ctt s ASN 39 CO 0.00 -0.83 1.40 -1.61 -2.04 0.00 0.00 177.10 174.02 2ctt s GLU 40 N -3.23 4.03 0.00 3.55 8.01 -1.21 -4.33 118.70 125.52 2ctt s GLU 40 Ca -0.01 2.37 0.01 0.00 0.01 0.00 0.00 54.97 57.35 2ctt s GLU 40 Cb 0.00 -2.87 0.05 0.00 -4.31 0.00 0.00 34.13 27.00 2ctt s GLU 40 CO -0.08 -0.52 0.53 -0.35 0.01 0.00 0.00 175.26 174.85 2ctt n PRO 41 N 0.30 0.49 -0.27 0.39 -0.04 -1.25 -2.17 135.00 132.45 2ctt n PRO 41 Ca 0.02 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.50 2ctt n PRO 41 Cb 0.41 -1.03 0.03 0.00 -0.04 0.00 0.00 33.50 32.87 2ctt n PRO 41 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2ctt n GLY 42 N -0.01 0.75 3.84 0.55 0.00 -1.26 -5.09 105.19 103.97 2ctt n GLY 42 Ca 0.01 -0.21 -0.25 0.00 0.00 0.00 0.00 46.02 45.56 2ctt n GLY 42 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2ctt s THR 43 N -0.62 2.05 0.28 2.61 -4.23 -0.92 -5.15 115.64 109.67 2ctt s THR 43 Ca 0.06 -1.55 0.08 0.00 -1.18 0.00 0.00 61.69 59.10 2ctt s THR 43 Cb 0.05 -2.61 -0.04 0.00 1.34 0.00 0.00 72.50 71.24 2ctt s THR 43 CO 0.01 0.00 0.10 -0.75 -0.54 0.00 0.00 174.62 173.44 2ctt s LYS 44 N -4.10 2.53 0.02 3.99 2.20 -1.26 -4.97 119.74 118.15 2ctt s LYS 44 Ca 0.38 -1.31 0.03 0.00 -0.36 0.00 0.00 55.97 54.70 2ctt s LYS 44 Cb -0.00 -2.31 -0.01 0.00 -1.51 0.00 0.00 37.83 33.99 2ctt s LYS 44 CO 0.22 0.32 -0.08 0.08 -0.36 0.00 0.00 175.35 175.53 2ctt s VAL 45 N -2.28 0.65 -0.10 4.02 1.01 -1.26 -4.00 120.40 118.44 2ctt s VAL 45 Ca 0.33 -0.64 -0.01 0.00 0.00 0.00 0.00 61.98 61.67 2ctt s VAL 45 Cb -0.06 -0.60 -0.03 0.00 0.00 0.00 0.00 36.38 35.69 2ctt s VAL 45 CO 0.22 -0.02 -0.07 -1.10 0.00 0.00 0.00 175.10 174.13 2ctt s GLN 46 N -0.73 3.10 0.21 2.72 -0.21 -1.00 -4.95 119.66 118.80 2ctt s GLN 46 Ca -0.01 -0.57 -0.32 0.00 0.02 0.00 0.00 55.36 54.48 2ctt s GLN 46 Cb -0.06 -2.68 -0.13 0.00 1.00 0.00 0.00 33.01 31.15 2ctt s GLN 46 CO 0.00 0.47 1.64 1.58 -2.12 0.00 0.00 175.29 176.87 2ctt n HIS 47 N 2.79 2.61 -3.09 0.91 -0.00 -1.26 -0.29 115.22 116.88 2ctt n HIS 47 Ca -0.18 0.17 -0.32 0.00 -0.00 0.00 0.00 57.72 57.38 2ctt n HIS 47 Cb 0.53 -2.61 -0.06 0.00 -0.00 0.00 0.00 29.99 27.85 2ctt n HIS 47 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2ctt n HIS 49 N -0.44 0.00 -0.31 0.00 8.25 -1.26 -2.89 115.22 118.57 2ctt n HIS 49 Ca 0.04 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.43 2ctt n HIS 49 Cb 0.53 -0.90 -0.05 0.00 1.12 0.00 0.00 29.99 30.69 2ctt n HIS 49 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 2ctt n TYR 50 N -3.87 -0.25 -0.10 4.41 4.02 -1.26 -2.28 117.16 117.84 2ctt n TYR 50 Ca -0.47 0.94 -0.16 0.00 -0.01 0.00 0.00 57.90 58.20 2ctt n TYR 50 Cb 0.88 -0.61 -0.13 0.00 -0.02 0.00 0.00 39.34 39.45 2ctt n TYR 50 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2ctt n GLY 52 N 2.05 0.54 0.00 0.00 0.00 -0.97 -4.22 105.19 102.60 2ctt n GLY 52 Ca -0.39 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 44.79 2ctt n GLY 52 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ctt n GLY 53 N -2.47 1.01 0.00 -0.02 0.00 -1.17 -4.94 105.19 97.61 2ctt n GLY 53 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2ctt n GLY 53 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2ctt n SER 54 N 0.00 1.80 0.00 1.61 2.88 -1.26 -4.86 113.62 113.78 2ctt n SER 54 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2ctt n SER 54 Cb 0.00 0.09 0.00 0.00 -0.75 0.00 0.00 64.21 63.55 2ctt n SER 54 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2ctt n GLY 55 N 1.97 1.19 3.19 0.46 0.00 -1.26 -4.76 105.19 105.97 2ctt n GLY 55 Ca 0.00 -0.44 -0.12 0.00 0.00 0.00 0.00 46.02 45.46 2ctt n GLY 55 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2ctt s MET 56 N -2.45 0.35 0.12 1.61 -2.45 -1.26 -3.61 119.30 111.61 2ctt s MET 56 Ca 0.00 0.53 0.03 0.00 -1.25 0.00 0.00 55.69 55.00 2ctt s MET 56 Cb 0.00 0.09 -0.04 0.00 1.25 0.00 0.00 34.83 36.13 2ctt s MET 56 CO 0.00 -0.09 0.18 -2.00 1.05 0.00 0.00 175.02 174.17 2ctt s GLU 57 N 0.61 3.17 -0.12 4.11 2.56 0.18 -4.09 118.70 125.13 2ctt s GLU 57 Ca -0.04 -0.66 0.02 0.00 0.00 0.00 0.00 54.97 54.30 2ctt s GLU 57 Cb -0.05 -2.84 -0.00 0.00 2.00 0.00 0.00 34.13 33.24 2ctt s GLU 57 CO -0.04 0.54 -0.20 0.99 -0.56 0.00 0.00 175.26 175.99 2ctt s THR 58 N -1.62 2.34 -0.57 -1.70 2.01 -1.26 -1.80 115.64 113.04 2ctt s THR 58 Ca 0.33 -0.90 -0.08 0.00 0.31 0.00 0.00 61.69 61.34 2ctt s THR 58 Cb -0.11 -1.94 0.15 0.00 0.01 0.00 0.00 72.50 70.60 2ctt s THR 58 CO 0.26 0.54 0.44 -0.63 -0.69 0.00 0.00 174.62 174.54 2ctt s ILE 59 N 0.51 4.33 -0.66 1.82 1.09 -0.80 -4.97 121.20 122.52 2ctt s ILE 59 Ca -0.13 -2.18 -0.27 0.00 -1.10 0.00 0.00 60.65 56.97 2ctt s ILE 59 Cb -0.17 -3.81 0.03 0.00 -1.06 0.00 0.00 42.46 37.46 2ctt s ILE 59 CO 0.05 -0.84 1.20 0.20 -0.10 0.00 0.00 174.94 175.44 2ctt s ASN 60 N 2.12 6.28 -0.19 3.58 0.01 -1.26 -0.50 114.94 124.98 2ctt s ASN 60 Ca 0.10 -0.28 0.00 0.00 -0.71 0.00 0.00 52.86 51.98 2ctt s ASN 60 Cb -0.22 -2.54 0.04 0.00 0.41 0.00 0.00 41.25 38.95 2ctt s ASN 60 CO -0.03 -1.63 -0.07 0.28 -1.51 0.00 0.00 177.10 174.14 2ctt s THR 61 N 5.19 1.35 0.00 1.60 -1.32 -0.62 -5.00 115.64 116.84 2ctt s THR 61 Ca 0.37 -0.84 0.00 0.00 -1.21 0.00 0.00 61.69 60.00 2ctt s THR 61 Cb -0.09 -1.50 0.00 0.00 -1.51 0.00 0.00 72.50 69.40 2ctt s THR 61 CO 0.19 0.11 0.00 0.61 -2.21 0.00 0.00 174.62 173.31 2ctt n GLY 62 N 4.78 0.81 0.00 6.08 0.00 -1.26 -2.49 105.19 113.11 2ctt n GLY 62 Ca -0.13 -0.73 0.05 0.00 0.00 0.00 0.00 46.02 45.22 2ctt n GLY 62 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2ctt n PRO 63 N 0.00 0.49 -4.37 1.61 -0.04 -1.26 -4.73 135.00 126.69 2ctt n PRO 63 Ca 0.00 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.28 2ctt n PRO 63 Cb 0.00 -1.34 -0.10 0.00 -0.04 0.00 0.00 33.50 32.01 2ctt n PRO 63 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 2ctt s PHE 64 N -2.00 1.71 -0.06 0.54 -0.12 -1.04 -5.17 117.98 111.84 2ctt s PHE 64 Ca 0.16 -1.06 -0.06 0.00 -0.05 0.00 0.00 56.93 55.92 2ctt s PHE 64 Cb 0.07 -1.05 0.02 0.00 -0.63 0.00 0.00 43.02 41.43 2ctt s PHE 64 CO 0.12 -0.16 0.18 0.54 -0.05 0.00 0.00 175.22 175.85 2ctt s VAL 65 N -3.53 0.01 0.47 -2.49 0.11 -1.26 -1.58 120.40 112.13 2ctt s VAL 65 Ca 0.36 -0.05 0.08 0.00 -2.93 0.00 0.00 61.98 59.45 2ctt s VAL 65 Cb 0.08 -0.27 0.04 0.00 -1.53 0.00 0.00 36.38 34.70 2ctt s VAL 65 CO 0.14 -0.02 0.65 -0.04 -3.33 0.00 0.00 175.10 172.49 2ctt s MET 66 N -0.00 2.65 -0.12 1.54 -1.94 0.35 -4.93 119.30 116.83 2ctt s MET 66 Ca -0.01 -1.37 -0.04 0.00 -1.71 0.00 0.00 55.69 52.56 2ctt s MET 66 Cb -0.02 -2.72 0.05 0.00 2.01 0.00 0.00 34.83 34.15 2ctt s MET 66 CO 0.00 -0.48 0.07 1.03 -0.01 0.00 0.00 175.02 175.63 2ctt s ARG 67 N -4.46 0.11 0.02 2.03 1.81 -1.26 -1.90 118.95 115.30 2ctt s ARG 67 Ca 0.57 0.05 0.02 0.00 -1.72 0.00 0.00 55.73 54.65 2ctt s ARG 67 Cb -0.09 -1.37 -0.01 0.00 -0.45 0.00 0.00 34.95 33.03 2ctt s ARG 67 CO 0.35 -0.53 -0.06 0.45 -0.68 0.00 0.00 175.30 174.83 2ctt s SER 68 N 2.11 0.62 0.31 0.23 0.15 -0.75 -5.00 113.70 111.38 2ctt s SER 68 Ca 0.03 -0.34 -0.26 0.00 0.70 0.00 0.00 55.95 56.08 2ctt s SER 68 Cb -0.15 0.00 -0.14 0.00 -1.71 0.00 0.00 66.02 64.03 2ctt s SER 68 CO -0.07 -0.10 0.73 0.41 1.20 0.00 0.00 173.24 175.41 2ctt n THR 69 N 2.14 1.91 -0.71 6.45 -1.04 -1.26 0.51 114.28 122.29 2ctt n THR 69 Ca -0.18 -0.50 -0.33 0.00 -2.04 0.00 0.00 64.05 61.00 2ctt n THR 69 Cb 0.56 -0.60 0.16 0.00 -1.82 0.00 0.00 70.33 68.63 2ctt n THR 69 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2ctt n ARG 71 N -1.97 0.84 0.17 0.00 1.74 -1.26 -4.16 116.66 112.01 2ctt n ARG 71 Ca 0.02 0.00 -0.14 0.00 -0.77 0.00 0.00 57.85 56.96 2ctt n ARG 71 Cb 0.60 -0.92 -0.08 0.00 -1.02 0.00 0.00 32.46 31.03 2ctt n ARG 71 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2ctt h ARG 72 N 0.00 -0.39 0.11 5.56 2.47 -1.99 -3.34 114.38 116.81 2ctt h ARG 72 Ca 0.00 0.03 -0.32 0.00 -1.26 0.00 0.00 59.98 58.43 2ctt h ARG 72 Cb 0.85 0.09 -0.01 0.00 -1.65 0.00 0.00 29.97 29.24 2ctt h ARG 72 CO 0.00 -0.14 -1.68 0.00 0.56 0.00 0.00 179.97 178.70 2ctt n GLY 74 N 1.82 1.82 1.68 0.00 0.00 -1.25 -4.55 105.19 104.70 2ctt n GLY 74 Ca -0.29 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.71 2ctt n GLY 74 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ctt n GLY 75 N -0.74 0.83 0.08 -0.02 0.00 -1.26 -4.88 105.19 99.19 2ctt n GLY 75 Ca 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.42 2ctt n GLY 75 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2ctt n ARG 76 N -0.89 0.00 0.00 1.61 3.00 -1.26 -4.70 116.66 114.42 2ctt n ARG 76 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 2ctt n ARG 76 Cb 0.51 -0.90 0.00 0.00 0.00 0.00 0.00 32.46 32.06 2ctt n ARG 76 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2ctt n GLY 77 N 3.22 1.77 3.43 5.14 0.00 -1.26 -4.57 105.19 112.92 2ctt n GLY 77 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 2ctt n GLY 77 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ctt s SER 78 N -1.94 -0.02 -0.28 1.61 0.01 -1.26 -2.66 113.70 109.15 2ctt s SER 78 Ca 0.00 -0.91 -0.15 0.00 1.31 0.00 0.00 55.95 56.20 2ctt s SER 78 Cb 0.00 0.50 -0.03 0.00 0.21 0.00 0.00 66.02 66.69 2ctt s SER 78 CO 0.00 -0.99 0.38 -0.63 0.41 0.00 0.00 173.24 172.40 2ctt s ILE 79 N -4.00 5.17 -0.56 1.44 1.09 0.60 -4.50 121.20 120.44 2ctt s ILE 79 Ca 0.21 0.52 -0.21 0.00 -1.10 0.00 0.00 60.65 60.07 2ctt s ILE 79 Cb 0.02 -3.72 0.07 0.00 -1.06 0.00 0.00 42.46 37.77 2ctt s ILE 79 CO 0.04 0.12 0.78 -0.63 -0.10 0.00 0.00 174.94 175.16 2ctt s ILE 80 N 2.08 4.65 0.45 2.92 1.01 -1.26 -2.38 121.20 128.66 2ctt s ILE 80 Ca 0.15 -0.40 0.12 0.00 0.00 0.00 0.00 60.65 60.51 2ctt s ILE 80 Cb -0.16 -4.47 0.29 0.00 0.01 0.00 0.00 42.46 38.13 2ctt s ILE 80 CO 0.10 -1.07 2.06 0.40 0.00 0.00 0.00 174.94 176.43 2ctt h ILE 81 N 5.93 1.01 -3.20 2.92 5.03 -1.97 -3.38 117.51 123.85 2ctt h ILE 81 Ca -0.28 -0.12 -0.51 0.00 -0.12 0.00 0.00 64.86 63.83 2ctt h ILE 81 Cb 1.08 0.62 -0.40 0.00 -3.03 0.00 0.00 36.82 35.09 2ctt h ILE 81 CO 1.06 0.07 -0.76 -0.44 -0.68 0.00 0.00 178.15 177.40 2ctt s SER 82 N -6.65 2.93 0.34 1.72 0.01 -1.26 -5.12 113.70 105.67 2ctt s SER 82 Ca -0.07 -0.87 -0.28 0.00 1.31 0.00 0.00 55.95 56.04 2ctt s SER 82 Cb 0.18 -0.54 -0.10 0.00 0.21 0.00 0.00 66.02 65.77 2ctt s SER 82 CO 0.72 -0.33 1.22 -2.16 0.41 0.00 0.00 173.24 173.10 2ctt s PRO 83 N 1.90 4.35 0.99 12.44 0.04 -1.26 -3.32 135.00 150.14 2ctt s PRO 83 Ca 0.01 2.01 -0.17 0.00 0.04 0.00 0.00 61.00 62.89 2ctt s PRO 83 Cb -0.17 -3.00 -0.13 0.00 0.04 0.00 0.00 34.50 31.24 2ctt s PRO 83 CO -0.11 -0.12 -0.68 0.00 0.04 0.00 0.00 177.00 176.13 2ctt n VAL 85 N -2.70 0.00 -0.08 0.00 0.24 -1.26 -3.55 118.33 110.99 2ctt n VAL 85 Ca -0.01 -0.40 -0.14 0.00 -2.04 0.00 0.00 64.34 61.74 2ctt n VAL 85 Cb 0.57 1.19 -0.05 0.00 -1.47 0.00 0.00 33.84 34.08 2ctt n VAL 85 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 2ctt n VAL 86 N 0.08 1.24 0.86 3.34 0.31 -1.26 -4.67 118.33 118.23 2ctt n VAL 86 Ca 0.06 -0.05 0.12 0.00 -0.01 0.00 0.00 64.34 64.46 2ctt n VAL 86 Cb 0.29 -1.93 0.12 0.00 -0.91 0.00 0.00 33.84 31.41 2ctt n VAL 86 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2ctt n ARG 88 N 1.38 -2.11 -3.18 0.00 5.12 -1.23 0.01 116.66 116.65 2ctt n ARG 88 Ca 0.15 0.25 -0.16 0.00 -1.93 0.00 0.00 57.85 56.16 2ctt n ARG 88 Cb 0.60 -4.27 0.05 0.00 -1.16 0.00 0.00 32.46 27.68 2ctt n ARG 88 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2ctt n GLY 89 N -2.04 -0.09 0.07 -0.13 0.00 -1.26 -4.82 105.19 96.92 2ctt n GLY 89 Ca -0.22 -0.05 -0.04 0.00 0.00 0.00 0.00 46.02 45.71 2ctt n GLY 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ctt n ALA 90 N -4.02 1.85 0.00 4.61 0.00 0.10 -4.93 120.51 118.12 2ctt n ALA 90 Ca -0.01 -0.99 0.00 0.00 0.00 0.00 0.00 53.44 52.44 2ctt n ALA 90 Cb 0.55 -0.25 0.00 0.00 0.00 0.00 0.00 19.45 19.74 2ctt n ALA 90 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ctt n GLY 91 N 1.79 1.94 3.19 0.00 0.00 -1.26 -5.00 105.19 105.84 2ctt n GLY 91 Ca -0.22 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.70 2ctt n GLY 91 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2ctt s GLN 92 N -0.59 0.79 0.30 1.61 -0.21 -1.26 -3.40 119.66 116.90 2ctt s GLN 92 Ca 0.00 -0.87 0.04 0.00 0.02 0.00 0.00 55.36 54.55 2ctt s GLN 92 Cb 0.00 0.32 -0.03 0.00 1.00 0.00 0.00 33.01 34.30 2ctt s GLN 92 CO 0.00 -0.24 0.27 0.00 -2.12 0.00 0.00 175.29 173.20 2ctt s ALA 93 N -3.46 1.57 -0.55 6.09 0.00 0.39 -4.65 121.76 121.15 2ctt s ALA 93 Ca 0.02 -1.92 -0.21 0.00 0.00 0.00 0.00 51.96 49.85 2ctt s ALA 93 Cb 0.03 1.42 0.06 0.00 0.00 0.00 0.00 23.12 24.63 2ctt s ALA 93 CO -0.09 -0.66 0.79 -1.59 0.00 0.00 0.00 175.76 174.21 2ctt s LYS 94 N -3.57 3.19 -1.08 0.00 -2.85 -1.26 -1.81 119.74 112.35 2ctt s LYS 94 Ca 0.39 -0.70 -0.14 0.00 -1.00 0.00 0.00 55.97 54.52 2ctt s LYS 94 Cb 0.03 -4.12 0.19 0.00 -2.06 0.00 0.00 37.83 31.87 2ctt s LYS 94 CO 0.23 -1.43 1.23 -0.65 0.10 0.00 0.00 175.35 174.83 2ctt s GLN 95 N 3.30 3.94 0.07 1.78 1.11 -1.25 -4.88 119.66 123.73 2ctt s GLN 95 Ca 0.21 -2.48 -0.37 0.00 0.01 0.00 0.00 55.36 52.73 2ctt s GLN 95 Cb -0.17 -4.87 -0.20 0.00 -1.01 0.00 0.00 33.01 26.77 2ctt s GLN 95 CO 0.14 -1.62 1.57 -0.22 0.01 0.00 0.00 175.29 175.16 2ctt h LYS 96 N 7.56 -1.20 -5.24 2.91 1.63 -1.94 -3.36 116.57 116.92 2ctt h LYS 96 Ca 0.23 0.08 -0.65 0.00 -0.85 0.00 0.00 60.65 59.46 2ctt h LYS 96 Cb 0.93 0.27 -0.16 0.00 -0.60 0.00 0.00 32.23 32.67 2ctt h LYS 96 CO 1.11 -0.80 0.57 0.21 -3.45 0.00 0.00 179.45 177.10 2ctt s LYS 97 N -5.95 3.24 0.00 1.90 2.47 -1.26 -4.64 119.74 115.49 2ctt s LYS 97 Ca -0.19 -1.15 0.00 0.00 -1.56 0.00 0.00 55.97 53.07 2ctt s LYS 97 Cb 0.03 -4.43 0.00 0.00 -1.46 0.00 0.00 37.83 31.97 2ctt s LYS 97 CO 0.60 -1.77 0.00 2.89 0.16 0.00 0.00 175.35 177.23 2ctt n ARG 98 N 7.23 1.05 -3.24 4.03 -4.01 -1.26 -5.07 116.66 115.39 2ctt n ARG 98 Ca 0.03 0.00 0.04 0.00 -1.04 0.00 0.00 57.85 56.88 2ctt n ARG 98 Cb 0.46 -0.69 -0.02 0.00 -3.04 0.00 0.00 32.46 29.16 2ctt n ARG 98 CO 0.00 0.00 0.00 -1.12 -3.04 0.00 0.00 177.63 173.47 2ctt s SER 99 N -2.30 -0.71 -0.42 2.89 0.01 -1.26 -5.11 113.70 106.79 2ctt s SER 99 Ca 0.00 0.61 0.04 0.00 1.31 0.00 0.00 55.95 57.91 2ctt s SER 99 Cb 0.00 1.66 0.17 0.00 0.21 0.00 0.00 66.02 68.06 2ctt s SER 99 CO 0.00 -0.13 0.45 -0.83 0.41 0.00 0.00 173.24 173.13 2ctt s GLY 100 N 2.78 0.17 0.08 3.44 0.00 -1.26 -5.00 107.32 107.52 2ctt s GLY 100 Ca 0.03 -1.45 -0.17 0.00 0.00 0.00 0.00 44.72 43.13 2ctt s GLY 100 CO -0.15 2.71 1.39 -0.56 0.00 0.00 0.00 173.10 176.49 2ctt h PRO 101 N 5.97 0.57 -3.43 2.90 0.13 -2.06 -3.48 132.00 132.61 2ctt h PRO 101 Ca 0.14 -0.30 -0.06 0.00 -0.87 0.00 0.00 66.00 64.91 2ctt h PRO 101 Cb 1.01 0.01 -0.06 0.00 0.13 0.00 0.00 31.00 32.09 2ctt h PRO 101 CO 0.22 0.89 0.04 -1.54 -0.23 0.00 0.00 178.00 177.39 2ctt s SER 102 N -6.39 0.07 0.35 1.44 1.04 -1.26 -5.15 113.70 103.80 2ctt s SER 102 Ca -0.13 -1.00 -0.26 0.00 0.48 0.00 0.00 55.95 55.04 2ctt s SER 102 Cb 0.07 0.70 -0.09 0.00 0.10 0.00 0.00 66.02 66.80 2ctt s SER 102 CO 0.80 -1.35 1.09 -0.94 0.98 0.00 0.00 173.24 173.82 2ctt s SER 103 N -3.04 6.90 0.00 7.02 1.04 -1.26 -5.23 113.70 119.13 2ctt s SER 103 Ca 0.19 2.18 0.00 0.00 0.48 0.00 0.00 55.95 58.81 2ctt s SER 103 Cb -0.03 -2.61 0.00 0.00 0.10 0.00 0.00 66.02 63.48 2ctt s SER 103 CO 0.11 -0.40 0.00 0.61 0.98 0.00 0.00 173.24 174.54