#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 4.64 0.08 1.61 1.04 -1.26 -5.15 113.70 114.66 2ctt s SER 2 Ca 0.00 -1.07 -0.27 0.00 0.48 0.00 0.00 55.95 55.09 2ctt s SER 2 Cb 0.00 -0.18 0.09 0.00 0.10 0.00 0.00 66.02 66.03 2ctt s SER 2 CO 0.00 -0.76 1.12 -0.94 0.98 0.00 0.00 173.24 173.64 2ctt s SER 3 N -4.08 -0.10 0.00 7.02 1.04 -1.26 -5.19 113.70 111.13 2ctt s SER 3 Ca 0.39 -0.31 0.00 0.00 0.48 0.00 0.00 55.95 56.51 2ctt s SER 3 Cb 0.00 0.34 0.00 0.00 0.10 0.00 0.00 66.02 66.46 2ctt s SER 3 CO 0.23 -0.64 0.00 0.61 0.98 0.00 0.00 173.24 174.42 2ctt n GLY 4 N -0.51 5.86 3.80 7.32 0.00 -1.26 -5.19 105.19 115.20 2ctt n GLY 4 Ca -0.07 -1.57 -0.09 0.00 0.00 0.00 0.00 46.02 44.30 2ctt n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ctt s SER 5 N 1.00 -0.04 0.04 1.61 0.01 -1.26 -5.19 113.70 109.88 2ctt s SER 5 Ca 0.00 -0.99 -0.28 0.00 1.31 0.00 0.00 55.95 55.99 2ctt s SER 5 Cb 0.00 0.79 0.10 0.00 0.21 0.00 0.00 66.02 67.13 2ctt s SER 5 CO 0.00 -1.54 1.19 -0.44 0.41 0.00 0.00 173.24 172.86 2ctt s SER 6 N -3.03 -0.07 0.00 2.44 0.01 -1.26 -5.19 113.70 106.60 2ctt s SER 6 Ca 0.15 -0.26 0.00 0.00 1.31 0.00 0.00 55.95 57.15 2ctt s SER 6 Cb -0.05 0.26 0.00 0.00 0.21 0.00 0.00 66.02 66.44 2ctt s SER 6 CO 0.10 -0.50 0.00 0.61 0.41 0.00 0.00 173.24 173.86 2ctt n GLY 7 N -0.57 0.70 3.86 3.44 0.00 -1.26 -5.19 105.19 106.17 2ctt n GLY 7 Ca -0.06 -0.74 -0.02 0.00 0.00 0.00 0.00 46.02 45.20 2ctt n GLY 7 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2ctt s MET 8 N -2.00 1.07 -0.16 1.61 0.00 -1.26 -5.19 119.30 113.37 2ctt s MET 8 Ca 0.00 -0.67 -0.30 0.00 0.00 0.00 0.00 55.69 54.72 2ctt s MET 8 Cb 0.00 0.31 0.13 0.00 0.00 0.00 0.00 34.83 35.27 2ctt s MET 8 CO 0.00 -0.50 1.00 -1.83 0.00 0.00 0.00 175.02 173.69 2ctt s GLU 9 N -2.32 0.58 0.06 3.16 -1.05 -1.26 -5.19 118.70 112.68 2ctt s GLU 9 Ca 0.21 0.15 -0.27 0.00 -0.15 0.00 0.00 54.97 54.91 2ctt s GLU 9 Cb -0.01 0.27 0.09 0.00 -0.44 0.00 0.00 34.13 34.04 2ctt s GLU 9 CO 0.03 -0.18 0.94 -0.48 0.95 0.00 0.00 175.26 176.52 2ctt s LEU 10 N -1.07 -0.27 -0.16 1.83 2.34 -1.26 -5.18 118.68 114.90 2ctt s LEU 10 Ca -0.01 -0.18 -0.12 0.00 0.06 0.00 0.00 54.13 53.88 2ctt s LEU 10 Cb -0.01 2.05 0.05 0.00 -0.56 0.00 0.00 46.19 47.72 2ctt s LEU 10 CO 0.01 -0.72 0.42 -0.89 -1.06 0.00 0.00 176.35 174.11 2ctt s THR 11 N -3.15 -0.01 -0.01 5.48 2.01 -1.26 -5.17 115.64 113.52 2ctt s THR 11 Ca 0.08 0.05 -0.29 0.00 0.31 0.00 0.00 61.69 61.85 2ctt s THR 11 Cb -0.01 -0.60 0.10 0.00 0.01 0.00 0.00 72.50 72.00 2ctt s THR 11 CO -0.04 0.02 0.88 0.72 -0.69 0.00 0.00 174.62 175.51 2ctt s PHE 12 N 0.86 -0.37 0.32 4.92 -0.71 -1.26 -5.19 117.98 116.56 2ctt s PHE 12 Ca -0.05 0.29 0.03 0.00 -1.04 0.00 0.00 56.93 56.15 2ctt s PHE 12 Cb -0.06 0.53 -0.05 0.00 -1.21 0.00 0.00 43.02 42.23 2ctt s PHE 12 CO -0.07 -0.54 0.09 -0.80 -1.34 0.00 0.00 175.22 172.56 2ctt s ASN 13 N -2.32 2.07 0.12 1.98 0.01 -1.26 -5.17 114.94 110.36 2ctt s ASN 13 Ca 0.04 -1.46 -0.10 0.00 -0.71 0.00 0.00 52.86 50.63 2ctt s ASN 13 Cb -0.01 0.16 0.00 0.00 0.41 0.00 0.00 41.25 41.81 2ctt s ASN 13 CO -0.08 -0.74 0.25 -1.58 -1.51 0.00 0.00 177.10 173.45 2ctt s GLN 14 N -3.88 0.99 0.29 -0.60 0.74 -1.26 -5.18 119.66 110.76 2ctt s GLN 14 Ca 0.34 -1.00 0.07 0.00 0.05 0.00 0.00 55.36 54.82 2ctt s GLN 14 Cb 0.07 0.37 -0.03 0.00 1.10 0.00 0.00 33.01 34.52 2ctt s GLN 14 CO 0.15 -0.34 0.31 0.00 -0.55 0.00 0.00 175.29 174.86 2ctt s ALA 15 N -3.89 3.86 -0.53 1.58 0.00 -1.26 -5.09 121.76 116.44 2ctt s ALA 15 Ca 0.09 -1.47 0.04 0.00 0.00 0.00 0.00 51.96 50.62 2ctt s ALA 15 Cb 0.04 -1.42 0.13 0.00 0.00 0.00 0.00 23.12 21.88 2ctt s ALA 15 CO -0.07 0.12 0.27 0.00 0.00 0.00 0.00 175.76 176.07 2ctt s ALA 16 N -2.17 3.27 0.67 0.00 0.00 -1.26 -5.10 121.76 117.18 2ctt s ALA 16 Ca 0.38 -3.27 -0.00 0.00 0.00 0.00 0.00 51.96 49.06 2ctt s ALA 16 Cb -0.08 -2.15 0.09 0.00 0.00 0.00 0.00 23.12 20.99 2ctt s ALA 16 CO 0.27 -2.03 0.93 0.15 0.00 0.00 0.00 175.76 175.09 2ctt s LYS 17 N -0.32 1.97 -0.90 0.00 1.02 -1.26 -4.94 119.74 115.31 2ctt s LYS 17 Ca 0.17 -0.97 -0.26 0.00 0.02 0.00 0.00 55.97 54.93 2ctt s LYS 17 Cb -0.25 -2.37 -0.16 0.00 -0.52 0.00 0.00 37.83 34.53 2ctt s LYS 17 CO -0.01 -1.21 2.29 0.20 -0.92 0.00 0.00 175.35 175.70 2ctt s GLY 18 N -4.63 -0.87 0.17 -3.33 0.00 -1.26 -4.90 107.32 92.50 2ctt s GLY 18 Ca 0.63 -1.07 0.05 0.00 0.00 0.00 0.00 44.72 44.33 2ctt s GLY 18 CO 0.42 4.21 0.17 0.54 0.00 0.00 0.00 173.10 178.45 2ctt s VAL 19 N 15.28 4.66 -0.06 1.40 0.11 -1.26 -5.10 120.40 135.42 2ctt s VAL 19 Ca 0.88 -1.03 -0.18 0.00 -2.93 0.00 0.00 61.98 58.71 2ctt s VAL 19 Cb -0.10 -3.40 -0.05 0.00 -1.53 0.00 0.00 36.38 31.31 2ctt s VAL 19 CO 0.11 -0.13 0.49 0.54 -3.33 0.00 0.00 175.10 172.78 2ctt s ASN 20 N -3.21 6.78 0.17 3.54 2.20 -1.26 -5.07 114.94 118.10 2ctt s ASN 20 Ca 0.32 0.93 -0.01 0.00 -0.94 0.00 0.00 52.86 53.16 2ctt s ASN 20 Cb -0.10 -2.30 -0.04 0.00 -2.00 0.00 0.00 41.25 36.81 2ctt s ASN 20 CO 0.25 0.10 0.11 -0.54 -2.94 0.00 0.00 177.10 174.08 2ctt s LYS 21 N 0.03 1.10 0.27 3.55 -0.14 -1.26 -5.05 119.74 118.25 2ctt s LYS 21 Ca 0.27 -1.54 0.00 0.00 -1.36 0.00 0.00 55.97 53.34 2ctt s LYS 21 Cb -0.16 0.27 0.38 0.00 -1.68 0.00 0.00 37.83 36.63 2ctt s LYS 21 CO 0.13 -0.35 1.75 1.05 -0.76 0.00 0.00 175.35 177.17 2ctt h GLU 22 N 2.70 0.65 -6.73 1.68 4.11 -2.10 -3.44 114.58 111.45 2ctt h GLU 22 Ca -0.35 -0.20 -0.56 0.00 0.07 0.00 0.00 59.36 58.32 2ctt h GLU 22 Cb 1.23 -0.06 0.19 0.00 0.50 0.00 0.00 28.75 30.61 2ctt h GLU 22 CO 0.55 0.74 -0.33 1.19 0.07 0.00 0.00 179.01 181.23 2ctt n PHE 23 N -4.18 -0.63 -4.30 2.06 3.72 -1.26 -4.99 117.46 107.88 2ctt n PHE 23 Ca 0.01 0.34 -0.34 0.00 -0.05 0.00 0.00 57.45 57.42 2ctt n PHE 23 Cb 0.34 -1.93 -0.14 0.00 -0.94 0.00 0.00 39.48 36.81 2ctt n PHE 23 CO 0.00 0.00 0.00 -0.08 -0.05 0.00 0.00 176.76 176.63 2ctt s THR 24 N -1.97 3.01 -0.10 4.37 -1.32 -1.26 -5.09 115.64 113.28 2ctt s THR 24 Ca 0.66 -0.64 -0.30 0.00 -1.21 0.00 0.00 61.69 60.20 2ctt s THR 24 Cb -0.33 -2.31 -0.02 0.00 -1.51 0.00 0.00 72.50 68.33 2ctt s THR 24 CO 0.58 0.48 1.14 -0.69 -2.21 0.00 0.00 174.62 173.93 2ctt s VAL 25 N 0.99 4.44 -0.13 5.08 1.01 -1.26 -4.92 120.40 125.61 2ctt s VAL 25 Ca -0.01 1.74 -0.04 0.00 0.00 0.00 0.00 61.98 63.67 2ctt s VAL 25 Cb -0.15 -4.12 -0.08 0.00 0.00 0.00 0.00 36.38 32.03 2ctt s VAL 25 CO -0.01 -0.03 2.87 0.59 0.00 0.00 0.00 175.10 178.51 2ctt n ASN 26 N 5.44 5.65 -4.10 3.32 4.13 -1.26 -4.83 115.26 123.61 2ctt n ASN 26 Ca 0.11 -2.67 -0.22 0.00 1.68 0.00 0.00 54.58 53.47 2ctt n ASN 26 Cb 0.47 -1.27 -0.15 0.00 -1.54 0.00 0.00 39.78 37.29 2ctt n ASN 26 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2ctt s ILE 27 N -0.26 1.10 -0.18 2.41 1.01 -1.26 -5.13 121.20 118.89 2ctt s ILE 27 Ca 0.45 -0.59 -0.04 0.00 0.00 0.00 0.00 60.65 60.47 2ctt s ILE 27 Cb 0.24 -0.92 0.08 0.00 0.01 0.00 0.00 42.46 41.87 2ctt s ILE 27 CO -0.04 0.31 0.17 -0.04 0.00 0.00 0.00 174.94 175.34 2ctt s MET 28 N -0.27 0.12 0.17 2.79 -1.94 -1.26 -4.34 119.30 114.57 2ctt s MET 28 Ca 0.04 0.14 0.04 0.00 -1.71 0.00 0.00 55.69 54.21 2ctt s MET 28 Cb -0.06 -1.32 -0.01 0.00 2.01 0.00 0.00 34.83 35.44 2ctt s MET 28 CO -0.00 -0.62 0.14 -3.47 -0.01 0.00 0.00 175.02 171.06 2ctt n ASP 29 N 5.31 -0.31 -4.69 3.03 2.03 0.12 -4.97 116.55 117.06 2ctt n ASP 29 Ca -0.06 -2.14 -0.42 0.00 0.52 0.00 0.00 54.79 52.69 2ctt n ASP 29 Cb 0.49 0.86 -0.03 0.00 -0.72 0.00 0.00 41.12 41.72 2ctt n ASP 29 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 2ctt s THR 30 N -2.69 4.35 1.01 5.18 2.01 -1.26 -0.12 115.64 124.12 2ctt s THR 30 Ca 0.20 1.67 -0.22 0.00 0.31 0.00 0.00 61.69 63.66 2ctt s THR 30 Cb 0.01 -4.07 -0.12 0.00 0.01 0.00 0.00 72.50 68.33 2ctt s THR 30 CO 0.14 0.03 -0.92 0.00 -0.69 0.00 0.00 174.62 173.18 2ctt n GLU 32 N 1.52 2.57 -0.16 0.00 -0.00 -1.26 -3.72 120.64 119.59 2ctt n GLU 32 Ca -0.01 0.00 -0.08 0.00 -0.00 0.00 0.00 57.16 57.07 2ctt n GLU 32 Cb 0.65 -0.98 0.06 0.00 -0.00 0.00 0.00 31.44 31.17 2ctt n GLU 32 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.13 177.04 2ctt h ARG 33 N 0.00 0.96 0.00 3.44 2.43 -1.95 -3.22 114.38 116.04 2ctt h ARG 33 Ca 0.00 -0.33 0.00 0.00 -0.81 0.00 0.00 59.98 58.84 2ctt h ARG 33 Cb 0.96 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.44 2ctt h ARG 33 CO 0.00 1.00 -0.67 0.00 -1.51 0.00 0.00 179.97 178.78 2ctt n ASN 35 N -1.35 -4.65 -2.16 0.00 3.02 -1.22 -2.61 115.26 106.29 2ctt n ASN 35 Ca 0.02 -0.46 -0.15 0.00 -0.03 0.00 0.00 54.58 53.95 2ctt n ASN 35 Cb 0.20 -4.27 0.03 0.00 -0.61 0.00 0.00 39.78 35.12 2ctt n ASN 35 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2ctt n GLY 36 N -1.58 -0.14 0.42 7.41 0.00 -1.24 -4.90 105.19 105.16 2ctt n GLY 36 Ca -0.06 -0.15 -0.14 0.00 0.00 0.00 0.00 46.02 45.66 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 -3.02 0.32 0.00 1.61 4.76 -1.07 -4.78 118.16 115.98 2ctt n LYS 37 Ca -0.08 0.12 0.00 0.00 -2.87 0.00 0.00 58.31 55.48 2ctt n LYS 37 Cb 0.58 -1.09 0.00 0.00 -1.84 0.00 0.00 35.03 32.69 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 2.27 1.78 3.14 0.72 0.00 -1.26 -4.80 105.19 107.04 2ctt n GLY 38 Ca -0.28 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.64 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 0.05 0.34 1.61 4.22 -1.26 -3.06 114.94 114.83 2ctt s ASN 39 Ca 0.00 -0.32 -0.29 0.00 -2.14 0.00 0.00 52.86 50.11 2ctt s ASN 39 Cb 0.00 0.25 -0.11 0.00 1.28 0.00 0.00 41.25 42.67 2ctt s ASN 39 CO 0.00 -0.48 1.44 -1.61 -2.04 0.00 0.00 177.10 174.42 2ctt s GLU 40 N -2.09 4.20 0.00 3.55 0.41 -1.06 -4.27 118.70 119.44 2ctt s GLU 40 Ca -0.09 2.44 0.06 0.00 -0.41 0.00 0.00 54.97 56.96 2ctt s GLU 40 Cb -0.04 -3.02 0.34 0.00 -1.78 0.00 0.00 34.13 29.63 2ctt s GLU 40 CO -0.02 -0.43 0.80 -0.35 -0.49 0.00 0.00 175.26 174.77 2ctt n PRO 41 N 1.00 0.49 -2.13 0.39 -0.04 -1.25 -2.68 135.00 130.77 2ctt n PRO 41 Ca 0.02 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.49 2ctt n PRO 41 Cb 0.40 -1.18 0.03 0.00 -0.04 0.00 0.00 33.50 32.71 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 -0.02 1.38 3.48 0.55 0.00 -1.26 -5.11 105.19 104.21 2ctt n GLY 42 Ca 0.04 -0.85 -0.23 0.00 0.00 0.00 0.00 46.02 44.98 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 -1.67 1.21 0.45 2.61 -4.23 -1.09 -5.16 115.64 107.76 2ctt s THR 43 Ca 0.27 -2.00 0.05 0.00 -1.18 0.00 0.00 61.69 58.83 2ctt s THR 43 Cb 0.34 -2.76 0.01 0.00 1.34 0.00 0.00 72.50 71.43 2ctt s THR 43 CO -0.10 0.00 0.63 -0.54 -0.54 0.00 0.00 174.62 174.07 2ctt s LYS 44 N -3.86 2.82 0.02 3.99 1.02 -1.26 -4.96 119.74 117.51 2ctt s LYS 44 Ca 0.35 -0.96 0.00 0.00 0.02 0.00 0.00 55.97 55.38 2ctt s LYS 44 Cb 0.08 -2.66 -0.02 0.00 -0.52 0.00 0.00 37.83 34.71 2ctt s LYS 44 CO 0.15 -0.35 -0.03 0.08 -0.92 0.00 0.00 175.35 174.28 2ctt s VAL 45 N -2.48 0.11 -0.01 3.17 1.01 -1.26 -4.11 120.40 116.84 2ctt s VAL 45 Ca 0.53 -0.88 0.03 0.00 0.00 0.00 0.00 61.98 61.67 2ctt s VAL 45 Cb -0.10 -0.25 -0.03 0.00 0.00 0.00 0.00 36.38 35.99 2ctt s VAL 45 CO 0.35 -0.48 -0.09 -1.10 0.00 0.00 0.00 175.10 173.78 2ctt s GLN 46 N -1.41 2.52 -0.21 2.72 -0.21 -0.90 -4.97 119.66 117.19 2ctt s GLN 46 Ca -0.15 -0.72 -0.29 0.00 0.02 0.00 0.00 55.36 54.21 2ctt s GLN 46 Cb -0.10 -2.46 -0.01 0.00 1.00 0.00 0.00 33.01 31.45 2ctt s GLN 46 CO -0.01 0.61 1.27 -1.58 -2.12 0.00 0.00 175.29 173.45 2ctt s HIS 47 N -0.92 2.81 0.17 0.91 5.65 -1.26 -0.40 115.29 122.24 2ctt s HIS 47 Ca 0.15 0.98 -0.30 0.00 0.25 0.00 0.00 55.06 56.14 2ctt s HIS 47 Cb -0.11 -3.63 -0.07 0.00 -1.18 0.00 0.00 32.58 27.59 2ctt s HIS 47 CO 0.05 -1.65 1.11 0.00 -0.65 0.00 0.00 174.74 173.60 2ctt n HIS 49 N 2.51 0.98 -0.27 0.00 8.25 -1.26 -2.24 115.22 123.19 2ctt n HIS 49 Ca 0.03 0.25 -0.06 0.00 -0.26 0.00 0.00 57.72 57.69 2ctt n HIS 49 Cb 0.46 -1.12 -0.05 0.00 1.12 0.00 0.00 29.99 30.40 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 -3.71 -0.23 -0.12 4.41 4.02 -1.26 -2.38 117.16 117.90 2ctt n TYR 50 Ca -0.35 0.81 -0.19 0.00 -0.01 0.00 0.00 57.90 58.16 2ctt n TYR 50 Cb 0.95 -0.58 -0.12 0.00 -0.02 0.00 0.00 39.34 39.57 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 2.21 0.68 0.00 0.00 0.00 -0.95 -4.12 105.19 103.01 2ctt n GLY 52 Ca -0.45 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.01 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 -2.51 1.10 0.04 -0.02 0.00 -1.21 -4.98 105.19 97.62 2ctt n GLY 53 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 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 2.83 -0.08 1.61 2.88 -1.26 -4.75 113.62 114.85 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 0.68 0.00 0.00 -0.75 0.00 0.00 64.21 64.14 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 2.48 0.83 2.95 0.46 0.00 -1.26 -4.85 105.19 105.79 2ctt n GLY 55 Ca -0.15 -0.62 -0.12 0.00 0.00 0.00 0.00 46.02 45.13 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 -3.32 0.13 0.22 1.61 -2.45 -1.26 -3.69 119.30 110.54 2ctt s MET 56 Ca 0.00 -0.08 0.11 0.00 -1.25 0.00 0.00 55.69 54.48 2ctt s MET 56 Cb 0.00 0.06 -0.05 0.00 1.25 0.00 0.00 34.83 36.09 2ctt s MET 56 CO 0.00 -0.02 -0.22 -2.00 1.05 0.00 0.00 175.02 173.83 2ctt s GLU 57 N -0.32 1.61 -0.13 4.11 2.56 -0.68 -3.78 118.70 122.07 2ctt s GLU 57 Ca -0.04 -1.60 0.02 0.00 0.00 0.00 0.00 54.97 53.36 2ctt s GLU 57 Cb -0.02 -1.84 0.01 0.00 2.00 0.00 0.00 34.13 34.28 2ctt s GLU 57 CO 0.00 0.38 -0.18 0.99 -0.56 0.00 0.00 175.26 175.88 2ctt s THR 58 N -1.97 1.77 -0.61 -1.70 2.01 -1.26 -2.96 115.64 110.91 2ctt s THR 58 Ca 0.24 -0.80 -0.14 0.00 0.31 0.00 0.00 61.69 61.30 2ctt s THR 58 Cb -0.07 -1.59 0.15 0.00 0.01 0.00 0.00 72.50 71.00 2ctt s THR 58 CO 0.12 0.49 0.55 -0.63 -0.69 0.00 0.00 174.62 174.46 2ctt s ILE 59 N 0.96 5.15 -0.75 1.82 1.09 -1.03 -4.98 121.20 123.47 2ctt s ILE 59 Ca -0.06 -1.83 -0.27 0.00 -1.10 0.00 0.00 60.65 57.39 2ctt s ILE 59 Cb -0.15 -4.28 0.03 0.00 -1.06 0.00 0.00 42.46 37.00 2ctt s ILE 59 CO -0.03 -0.90 1.32 0.20 -0.10 0.00 0.00 174.94 175.44 2ctt s ASN 60 N 3.03 6.12 -0.14 3.58 -0.87 -1.26 -1.13 114.94 124.26 2ctt s ASN 60 Ca 0.08 -0.45 0.00 0.00 -1.57 0.00 0.00 52.86 50.92 2ctt s ASN 60 Cb -0.24 -2.56 0.02 0.00 -0.02 0.00 0.00 41.25 38.45 2ctt s ASN 60 CO -0.01 -1.86 -0.13 0.28 -2.57 0.00 0.00 177.10 172.82 2ctt s THR 61 N 5.91 1.45 0.00 1.60 -1.32 -0.91 -5.02 115.64 117.35 2ctt s THR 61 Ca 0.38 -0.57 0.00 0.00 -1.21 0.00 0.00 61.69 60.29 2ctt s THR 61 Cb -0.08 -1.39 0.00 0.00 -1.51 0.00 0.00 72.50 69.52 2ctt s THR 61 CO 0.14 0.43 0.00 0.61 -2.21 0.00 0.00 174.62 173.59 2ctt n GLY 62 N 4.81 0.96 0.00 6.08 0.00 -1.26 -2.35 105.19 113.43 2ctt n GLY 62 Ca -0.16 -0.72 0.07 0.00 0.00 0.00 0.00 46.02 45.21 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 -4.55 1.61 -0.04 -1.26 -4.74 135.00 126.50 2ctt n PRO 63 Ca 0.00 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.20 2ctt n PRO 63 Cb 0.00 -1.46 -0.09 0.00 -0.04 0.00 0.00 33.50 31.91 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 1.89 -0.07 0.54 -0.12 -0.99 -5.17 117.98 112.06 2ctt s PHE 64 Ca 0.21 -1.10 -0.09 0.00 -0.05 0.00 0.00 56.93 55.91 2ctt s PHE 64 Cb 0.10 -1.32 0.02 0.00 -0.63 0.00 0.00 43.02 41.19 2ctt s PHE 64 CO 0.17 -0.07 0.23 0.54 -0.05 0.00 0.00 175.22 176.03 2ctt s VAL 65 N -3.14 0.02 0.49 -2.49 0.11 -1.26 -2.15 120.40 111.98 2ctt s VAL 65 Ca 0.24 -0.13 0.08 0.00 -2.93 0.00 0.00 61.98 59.24 2ctt s VAL 65 Cb 0.04 -0.37 0.04 0.00 -1.53 0.00 0.00 36.38 34.56 2ctt s VAL 65 CO 0.13 -0.07 0.62 -0.04 -3.33 0.00 0.00 175.10 172.41 2ctt s MET 66 N -0.20 2.54 -0.09 1.54 -1.94 -0.28 -4.95 119.30 115.92 2ctt s MET 66 Ca -0.03 -1.50 -0.03 0.00 -1.71 0.00 0.00 55.69 52.42 2ctt s MET 66 Cb -0.03 -2.62 0.04 0.00 2.01 0.00 0.00 34.83 34.24 2ctt s MET 66 CO 0.01 -0.52 0.07 1.03 -0.01 0.00 0.00 175.02 175.60 2ctt s ARG 67 N -4.44 -0.02 -0.01 2.03 1.81 -1.26 -2.47 118.95 114.58 2ctt s ARG 67 Ca 0.55 0.20 -0.07 0.00 -1.72 0.00 0.00 55.73 54.69 2ctt s ARG 67 Cb -0.07 -1.03 0.00 0.00 -0.45 0.00 0.00 34.95 33.41 2ctt s ARG 67 CO 0.34 -0.46 0.13 0.45 -0.68 0.00 0.00 175.30 175.08 2ctt s SER 68 N 2.16 0.00 0.34 0.23 0.15 -1.16 -5.04 113.70 110.37 2ctt s SER 68 Ca 0.04 -0.12 -0.25 0.00 0.70 0.00 0.00 55.95 56.31 2ctt s SER 68 Cb -0.14 0.22 -0.14 0.00 -1.71 0.00 0.00 66.02 64.26 2ctt s SER 68 CO -0.05 -0.31 0.64 0.41 1.20 0.00 0.00 173.24 175.13 2ctt n THR 69 N 1.75 1.83 -0.79 6.45 -1.04 -1.26 -1.69 114.28 119.52 2ctt n THR 69 Ca -0.21 -0.50 -0.34 0.00 -2.04 0.00 0.00 64.05 60.96 2ctt n THR 69 Cb 0.56 -0.52 0.12 0.00 -1.82 0.00 0.00 70.33 68.67 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 -0.70 0.39 0.16 0.00 1.74 -1.26 -4.17 116.66 112.82 2ctt n ARG 71 Ca 0.01 0.00 -0.14 0.00 -0.77 0.00 0.00 57.85 56.95 2ctt n ARG 71 Cb 0.63 -0.90 -0.08 0.00 -1.02 0.00 0.00 32.46 31.09 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 -0.34 0.07 5.56 2.47 -1.99 -3.34 114.38 116.81 2ctt h ARG 72 Ca 0.00 0.02 -0.32 0.00 -1.26 0.00 0.00 59.98 58.42 2ctt h ARG 72 Cb 0.81 0.08 -0.03 0.00 -1.65 0.00 0.00 29.97 29.17 2ctt h ARG 72 CO 0.00 -0.17 -1.75 0.00 0.56 0.00 0.00 179.97 178.61 2ctt n GLY 74 N 1.75 1.55 1.92 0.00 0.00 -1.25 -4.54 105.19 104.61 2ctt n GLY 74 Ca -0.34 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.54 0.58 0.00 -0.02 0.00 -1.26 -4.90 105.19 99.05 2ctt n GLY 75 Ca 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.54 0.69 0.00 1.61 0.63 -1.26 -4.79 116.66 112.01 2ctt n ARG 76 Ca -0.01 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.92 2ctt n ARG 76 Cb 0.52 -0.86 0.00 0.00 0.45 0.00 0.00 32.46 32.57 2ctt n ARG 76 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2ctt n GLY 77 N 2.77 2.42 3.30 5.14 0.00 -1.26 -4.75 105.19 112.82 2ctt n GLY 77 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.78 0.09 -0.22 1.61 0.01 -1.26 -2.65 113.70 109.50 2ctt s SER 78 Ca 0.00 -0.90 -0.12 0.00 1.31 0.00 0.00 55.95 56.23 2ctt s SER 78 Cb 0.00 0.41 -0.05 0.00 0.21 0.00 0.00 66.02 66.59 2ctt s SER 78 CO 0.00 -0.86 0.24 -0.63 0.41 0.00 0.00 173.24 172.40 2ctt s ILE 79 N -3.97 5.31 -0.54 1.44 1.09 0.46 -4.55 121.20 120.44 2ctt s ILE 79 Ca 0.17 0.36 -0.21 0.00 -1.10 0.00 0.00 60.65 59.87 2ctt s ILE 79 Cb 0.04 -3.57 0.06 0.00 -1.06 0.00 0.00 42.46 37.93 2ctt s ILE 79 CO -0.01 0.33 0.75 -0.63 -0.10 0.00 0.00 174.94 175.28 2ctt s ILE 80 N 1.04 4.69 0.36 2.92 1.01 -1.26 -2.12 121.20 127.83 2ctt s ILE 80 Ca 0.11 -0.31 0.04 0.00 0.00 0.00 0.00 60.65 60.49 2ctt s ILE 80 Cb -0.14 -4.42 0.27 0.00 0.01 0.00 0.00 42.46 38.19 2ctt s ILE 80 CO 0.05 -0.98 2.01 0.40 0.00 0.00 0.00 174.94 176.42 2ctt h ILE 81 N 5.92 1.13 -3.44 2.92 5.03 -1.97 -3.38 117.51 123.72 2ctt h ILE 81 Ca -0.27 -0.27 -0.57 0.00 -0.12 0.00 0.00 64.86 63.62 2ctt h ILE 81 Cb 1.09 0.27 -0.39 0.00 -3.03 0.00 0.00 36.82 34.76 2ctt h ILE 81 CO 1.03 0.14 -0.77 -0.44 -0.68 0.00 0.00 178.15 177.43 2ctt s SER 82 N -6.46 3.58 0.39 1.72 0.01 -1.26 -5.12 113.70 106.55 2ctt s SER 82 Ca -0.10 -1.16 -0.26 0.00 1.31 0.00 0.00 55.95 55.75 2ctt s SER 82 Cb 0.18 -0.94 -0.09 0.00 0.21 0.00 0.00 66.02 65.38 2ctt s SER 82 CO 0.76 -0.29 1.20 -2.16 0.41 0.00 0.00 173.24 173.15 2ctt s PRO 83 N 1.57 4.10 0.55 12.44 0.04 -1.26 -2.56 135.00 149.89 2ctt s PRO 83 Ca -0.01 1.91 -0.18 0.00 0.04 0.00 0.00 61.00 62.76 2ctt s PRO 83 Cb -0.18 -2.75 -0.10 0.00 0.04 0.00 0.00 34.50 31.51 2ctt s PRO 83 CO -0.10 -0.30 0.37 0.00 0.04 0.00 0.00 177.00 177.01 2ctt n VAL 85 N -1.65 0.00 -0.11 0.00 0.24 -1.26 -2.54 118.33 113.01 2ctt n VAL 85 Ca 0.11 -0.46 -0.18 0.00 -2.04 0.00 0.00 64.34 61.77 2ctt n VAL 85 Cb 0.47 1.39 -0.10 0.00 -1.47 0.00 0.00 33.84 34.13 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 0.92 1.29 0.32 3.34 0.31 -1.26 -4.66 118.33 118.59 2ctt n VAL 86 Ca 0.11 -0.45 0.05 0.00 -0.01 0.00 0.00 64.34 64.03 2ctt n VAL 86 Cb 0.49 -1.42 -0.06 0.00 -0.91 0.00 0.00 33.84 31.95 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 -1.41 -6.31 -3.06 0.00 3.00 -1.05 -2.95 116.66 104.88 2ctt n ARG 88 Ca 0.01 0.71 -0.13 0.00 -0.01 0.00 0.00 57.85 58.43 2ctt n ARG 88 Cb 0.18 -5.35 0.04 0.00 0.00 0.00 0.00 32.46 27.34 2ctt n ARG 88 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2ctt n GLY 89 N -1.53 0.12 0.05 -0.13 0.00 -1.25 -4.83 105.19 97.62 2ctt n GLY 89 Ca -0.09 -0.17 -0.06 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 -3.71 1.77 0.00 4.61 0.00 -1.15 -4.89 120.51 117.13 2ctt n ALA 90 Ca -0.02 -0.53 0.00 0.00 0.00 0.00 0.00 53.44 52.89 2ctt n ALA 90 Cb 0.54 0.16 0.00 0.00 0.00 0.00 0.00 19.45 20.15 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 2.73 3.25 3.36 0.00 0.00 -1.26 -4.95 105.19 108.31 2ctt n GLY 91 Ca -0.18 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.84 1.35 0.31 1.61 1.11 -1.26 -1.46 119.66 120.48 2ctt s GLN 92 Ca 0.00 -1.38 -0.12 0.00 0.01 0.00 0.00 55.36 53.87 2ctt s GLN 92 Cb 0.00 -1.62 0.05 0.00 -1.01 0.00 0.00 33.01 30.43 2ctt s GLN 92 CO 0.00 0.36 0.63 0.00 0.01 0.00 0.00 175.29 176.29 2ctt n ALA 93 N 0.56 -1.42 -2.54 6.09 0.00 0.83 -4.62 120.51 119.41 2ctt n ALA 93 Ca -0.15 -1.01 -0.43 0.00 0.00 0.00 0.00 53.44 51.85 2ctt n ALA 93 Cb 0.55 0.80 -0.06 0.00 0.00 0.00 0.00 19.45 20.74 2ctt n ALA 93 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 2ctt s LYS 94 N -2.07 3.41 -0.55 0.00 0.00 -1.26 -0.71 119.74 118.56 2ctt s LYS 94 Ca 0.13 -0.18 -0.00 0.00 0.00 0.00 0.00 55.97 55.92 2ctt s LYS 94 Cb -0.04 -3.92 0.14 0.00 0.00 0.00 0.00 37.83 34.01 2ctt s LYS 94 CO 0.09 -1.00 0.33 -0.65 0.00 0.00 0.00 175.35 174.12 2ctt s GLN 95 N 2.99 2.24 0.27 1.78 1.11 -1.26 -4.96 119.66 121.84 2ctt s GLN 95 Ca 0.26 -2.42 0.01 0.00 0.01 0.00 0.00 55.36 53.21 2ctt s GLN 95 Cb -0.13 -3.55 0.63 0.00 -1.01 0.00 0.00 33.01 28.95 2ctt s GLN 95 CO 0.20 -1.12 1.69 0.87 0.01 0.00 0.00 175.29 176.93 2ctt h LYS 96 N 7.04 0.33 -6.03 2.91 1.57 -1.95 -3.36 116.57 117.09 2ctt h LYS 96 Ca -0.05 -0.02 -0.61 0.00 -1.87 0.00 0.00 60.65 58.10 2ctt h LYS 96 Cb 0.95 -0.08 -0.05 0.00 0.08 0.00 0.00 32.23 33.13 2ctt h LYS 96 CO 0.69 0.22 -0.23 0.21 -0.57 0.00 0.00 179.45 179.78 2ctt s LYS 97 N -5.95 3.85 -0.61 3.15 2.36 -1.26 -4.27 119.74 117.01 2ctt s LYS 97 Ca -0.12 0.32 -0.03 0.00 -2.55 0.00 0.00 55.97 53.59 2ctt s LYS 97 Cb 0.24 -3.15 0.00 0.00 -1.05 0.00 0.00 37.83 33.88 2ctt s LYS 97 CO 0.77 0.65 0.53 -2.13 1.55 0.00 0.00 175.35 176.73 2ctt n ARG 98 N 1.53 -3.58 -3.77 4.03 3.00 -1.26 -5.00 116.66 111.61 2ctt n ARG 98 Ca -0.12 0.39 -0.33 0.00 -0.00 0.00 0.00 57.85 57.79 2ctt n ARG 98 Cb 0.52 -4.06 -0.10 0.00 0.00 0.00 0.00 32.46 28.82 2ctt n ARG 98 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 2ctt s SER 99 N -3.24 5.33 -0.43 6.15 1.04 -1.26 -5.01 113.70 116.28 2ctt s SER 99 Ca 0.22 -3.63 -0.27 0.00 0.48 0.00 0.00 55.95 52.76 2ctt s SER 99 Cb -0.10 -1.78 0.02 0.00 0.10 0.00 0.00 66.02 64.27 2ctt s SER 99 CO 0.34 -0.17 1.00 -0.83 0.98 0.00 0.00 173.24 174.56 2ctt s GLY 100 N -0.57 1.46 -1.11 7.32 0.00 -1.26 -4.95 107.32 108.19 2ctt s GLY 100 Ca 0.24 -0.54 -0.23 0.00 0.00 0.00 0.00 44.72 44.20 2ctt s GLY 100 CO -0.12 2.16 1.94 2.56 0.00 0.00 0.00 173.10 179.64 2ctt s PRO 101 N 3.87 2.52 0.02 2.90 0.04 -1.26 -4.72 135.00 138.37 2ctt s PRO 101 Ca 0.41 -0.95 -0.18 0.00 0.04 0.00 0.00 61.00 60.32 2ctt s PRO 101 Cb -0.10 -5.20 -0.25 0.00 0.04 0.00 0.00 34.50 28.99 2ctt s PRO 101 CO 0.25 -3.82 1.09 0.66 0.04 0.00 0.00 177.00 175.22 2ctt h SER 102 N 10.10 0.66 -5.89 6.66 4.64 -2.01 -3.48 113.55 124.23 2ctt h SER 102 Ca 0.19 -0.79 -0.38 0.00 -0.47 0.00 0.00 61.79 60.34 2ctt h SER 102 Cb 0.95 -0.20 0.11 0.00 -0.31 0.00 0.00 62.40 62.95 2ctt h SER 102 CO 1.22 1.37 -0.81 -1.20 -0.87 0.00 0.00 176.83 176.54 2ctt n SER 103 N -4.07 -1.82 0.00 4.97 7.64 -1.26 -5.36 113.62 113.72 2ctt n SER 103 Ca -0.11 -0.74 0.00 0.00 1.01 0.00 0.00 58.87 59.02 2ctt n SER 103 Cb 0.78 -4.50 0.00 0.00 -1.01 0.00 0.00 64.21 59.48 2ctt n SER 103 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64