#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 -0.34 0.09 1.61 0.01 -1.26 -5.19 113.70 108.63 2ctt s SER 2 Ca 0.00 -0.38 -0.26 0.00 1.31 0.00 0.00 55.95 56.63 2ctt s SER 2 Cb 0.00 0.60 0.09 0.00 0.21 0.00 0.00 66.02 66.92 2ctt s SER 2 CO 0.00 -1.07 1.14 -0.94 0.41 0.00 0.00 173.24 172.78 2ctt s SER 3 N -2.85 -0.03 0.00 2.44 1.04 -1.26 -5.19 113.70 107.85 2ctt s SER 3 Ca 0.07 -0.41 0.00 0.00 0.48 0.00 0.00 55.95 56.09 2ctt s SER 3 Cb -0.02 0.34 0.00 0.00 0.10 0.00 0.00 66.02 66.45 2ctt s SER 3 CO -0.04 -0.67 0.00 0.61 0.98 0.00 0.00 173.24 174.12 2ctt n GLY 4 N -0.67 4.68 3.82 7.32 0.00 -1.26 -5.19 105.19 113.88 2ctt n GLY 4 Ca -0.03 -1.21 0.01 0.00 0.00 0.00 0.00 46.02 44.79 2ctt n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2ctt s SER 5 N 0.00 -0.03 0.14 1.61 1.04 -1.26 -5.20 113.70 110.00 2ctt s SER 5 Ca 0.00 -0.28 -0.24 0.00 0.48 0.00 0.00 55.95 55.91 2ctt s SER 5 Cb 0.00 0.24 0.08 0.00 0.10 0.00 0.00 66.02 66.44 2ctt s SER 5 CO 0.00 -0.47 1.09 -0.44 0.98 0.00 0.00 173.24 174.40 2ctt s SER 6 N -3.37 -0.01 -0.08 7.02 0.01 -1.26 -5.19 113.70 110.82 2ctt s SER 6 Ca 0.21 -0.54 -0.30 0.00 1.31 0.00 0.00 55.95 56.63 2ctt s SER 6 Cb 0.01 0.42 0.10 0.00 0.21 0.00 0.00 66.02 66.76 2ctt s SER 6 CO -0.01 -0.82 0.84 -0.83 0.41 0.00 0.00 173.24 172.84 2ctt s GLY 7 N -3.43 -0.43 -0.16 3.44 0.00 -1.26 -5.18 107.32 100.29 2ctt s GLY 7 Ca 0.22 1.55 -0.34 0.00 0.00 0.00 0.00 44.72 46.15 2ctt s GLY 7 CO 0.04 0.87 1.20 -3.16 0.00 0.00 0.00 173.10 172.04 2ctt s MET 8 N -1.54 0.35 0.03 2.90 0.00 -1.26 -5.19 119.30 114.59 2ctt s MET 8 Ca -0.04 -0.14 -0.28 0.00 0.00 0.00 0.00 55.69 55.23 2ctt s MET 8 Cb -0.00 0.15 0.10 0.00 0.00 0.00 0.00 34.83 35.08 2ctt s MET 8 CO 0.03 -0.15 1.20 -2.00 0.00 0.00 0.00 175.02 174.10 2ctt s GLU 9 N -2.46 0.63 0.37 3.16 2.56 -1.26 -5.19 118.70 116.51 2ctt s GLU 9 Ca 0.10 -0.36 -0.07 0.00 0.00 0.00 0.00 54.97 54.64 2ctt s GLU 9 Cb -0.00 0.20 0.03 0.00 2.00 0.00 0.00 34.13 36.36 2ctt s GLU 9 CO -0.05 -0.29 0.61 -0.51 -0.56 0.00 0.00 175.26 174.46 2ctt s LEU 10 N -3.11 0.68 0.36 2.70 1.43 -1.26 -5.19 118.68 114.29 2ctt s LEU 10 Ca 0.16 -1.42 0.03 0.00 -1.03 0.00 0.00 54.13 51.88 2ctt s LEU 10 Cb 0.02 2.02 -0.04 0.00 0.03 0.00 0.00 46.19 48.22 2ctt s LEU 10 CO -0.01 -1.49 0.11 0.42 0.23 0.00 0.00 176.35 175.60 2ctt s THR 11 N -2.60 0.74 0.26 5.49 -4.23 -1.26 -5.17 115.64 108.87 2ctt s THR 11 Ca 0.25 -2.00 -0.21 0.00 -1.18 0.00 0.00 61.69 58.55 2ctt s THR 11 Cb -0.02 -2.52 0.05 0.00 1.34 0.00 0.00 72.50 71.34 2ctt s THR 11 CO 0.18 0.00 0.84 0.72 -0.54 0.00 0.00 174.62 175.82 2ctt s PHE 12 N -3.32 -0.06 0.31 3.99 -0.12 -1.26 -5.19 117.98 112.33 2ctt s PHE 12 Ca 0.30 -0.42 -0.19 0.00 -0.05 0.00 0.00 56.93 56.57 2ctt s PHE 12 Cb 0.05 0.73 0.03 0.00 -0.63 0.00 0.00 43.02 43.20 2ctt s PHE 12 CO 0.15 -1.19 0.73 0.54 -0.05 0.00 0.00 175.22 175.41 2ctt s ASN 13 N -3.03 -0.17 -0.14 1.98 2.20 -1.26 -5.18 114.94 109.33 2ctt s ASN 13 Ca 0.14 -0.77 -0.20 0.00 -0.94 0.00 0.00 52.86 51.09 2ctt s ASN 13 Cb -0.04 0.76 0.05 0.00 -2.00 0.00 0.00 41.25 40.02 2ctt s ASN 13 CO 0.07 -1.44 0.51 -1.58 -2.94 0.00 0.00 177.10 171.72 2ctt s GLN 14 N -3.47 0.69 0.13 3.55 2.00 -1.26 -5.18 119.66 116.12 2ctt s GLN 14 Ca 0.13 0.50 0.02 0.00 -2.00 0.00 0.00 55.36 54.01 2ctt s GLN 14 Cb -0.06 0.33 -0.04 0.00 0.80 0.00 0.00 33.01 34.04 2ctt s GLN 14 CO 0.08 -0.13 -0.05 0.00 -0.50 0.00 0.00 175.29 174.70 2ctt s ALA 15 N -0.21 1.15 -0.24 1.58 0.00 -1.26 -5.16 121.76 117.62 2ctt s ALA 15 Ca -0.04 -1.45 -0.27 0.00 0.00 0.00 0.00 51.96 50.20 2ctt s ALA 15 Cb -0.03 0.29 0.14 0.00 0.00 0.00 0.00 23.12 23.52 2ctt s ALA 15 CO 0.03 -0.25 1.13 0.00 0.00 0.00 0.00 175.76 176.66 2ctt s ALA 16 N -3.61 -2.02 0.02 0.00 0.00 -1.26 -5.10 121.76 109.79 2ctt s ALA 16 Ca 0.17 1.74 -0.03 0.00 0.00 0.00 0.00 51.96 53.84 2ctt s ALA 16 Cb 0.05 -1.25 -0.01 0.00 0.00 0.00 0.00 23.12 21.92 2ctt s ALA 16 CO -0.01 -0.24 -0.05 1.63 0.00 0.00 0.00 175.76 177.09 2ctt n LYS 17 N 1.38 0.08 0.00 0.00 4.01 -1.26 -5.16 118.16 117.21 2ctt n LYS 17 Ca -0.10 0.03 0.00 0.00 -0.51 0.00 0.00 58.31 57.73 2ctt n LYS 17 Cb 0.57 -0.50 0.00 0.00 -0.51 0.00 0.00 35.03 34.59 2ctt n LYS 17 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2ctt n GLY 18 N 3.00 0.20 3.34 0.72 0.00 -1.26 -5.07 105.19 106.12 2ctt n GLY 18 Ca -0.02 -2.27 0.02 0.00 0.00 0.00 0.00 46.02 43.75 2ctt n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ctt s VAL 19 N 0.00 -0.36 0.39 1.61 0.11 -1.26 -5.18 120.40 115.71 2ctt s VAL 19 Ca 0.00 0.00 0.04 0.00 -2.93 0.00 0.00 61.98 59.09 2ctt s VAL 19 Cb 0.00 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.81 2ctt s VAL 19 CO 0.00 0.00 0.09 0.54 -3.33 0.00 0.00 175.10 172.40 2ctt s ASN 20 N 2.32 2.80 -0.00 3.54 4.22 -1.26 -5.17 114.94 121.38 2ctt s ASN 20 Ca -0.02 -1.56 -0.04 0.00 -2.14 0.00 0.00 52.86 49.11 2ctt s ASN 20 Cb -0.04 0.28 -0.00 0.00 1.28 0.00 0.00 41.25 42.76 2ctt s ASN 20 CO -0.17 -0.80 0.07 -0.54 -2.04 0.00 0.00 177.10 173.62 2ctt s LYS 21 N -3.80 0.34 -0.48 3.55 -0.14 -1.26 -5.12 119.74 112.83 2ctt s LYS 21 Ca 0.27 -0.34 0.03 0.00 -1.36 0.00 0.00 55.97 54.57 2ctt s LYS 21 Cb 0.05 0.14 0.14 0.00 -1.68 0.00 0.00 37.83 36.48 2ctt s LYS 21 CO 0.14 -0.07 0.29 -1.21 -0.76 0.00 0.00 175.35 173.74 2ctt s GLU 22 N -1.06 1.50 -0.43 1.68 0.41 -1.26 -4.97 118.70 114.57 2ctt s GLU 22 Ca -0.12 -2.28 0.10 0.00 -0.41 0.00 0.00 54.97 52.26 2ctt s GLU 22 Cb -0.07 -2.51 0.33 0.00 -1.78 0.00 0.00 34.13 30.10 2ctt s GLU 22 CO 0.00 -1.20 0.74 0.34 -0.49 0.00 0.00 175.26 174.66 2ctt n PHE 23 N 3.19 1.07 -4.36 1.61 -0.00 -1.26 -5.09 117.46 112.61 2ctt n PHE 23 Ca 0.12 -3.83 -0.25 0.00 -0.00 0.00 0.00 57.45 53.49 2ctt n PHE 23 Cb 0.36 -0.43 -0.12 0.00 -0.00 0.00 0.00 39.48 39.29 2ctt n PHE 23 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.76 177.75 2ctt s THR 24 N -2.63 2.05 -0.05 -2.13 2.01 -1.26 -5.08 115.64 108.54 2ctt s THR 24 Ca 0.41 -1.85 -0.04 0.00 0.31 0.00 0.00 61.69 60.52 2ctt s THR 24 Cb 0.29 -1.91 -0.01 0.00 0.01 0.00 0.00 72.50 70.88 2ctt s THR 24 CO -0.09 -0.13 -0.07 0.52 -0.69 0.00 0.00 174.62 174.16 2ctt n VAL 25 N 0.55 0.53 -1.45 3.82 0.31 -1.26 -4.96 118.33 115.86 2ctt n VAL 25 Ca -0.15 0.39 -0.37 0.00 -0.01 0.00 0.00 64.34 64.20 2ctt n VAL 25 Cb 0.55 -1.83 0.05 0.00 -0.91 0.00 0.00 33.84 31.70 2ctt n VAL 25 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 2ctt n ASN 26 N -3.14 -0.51 -4.70 4.52 4.13 -1.26 -4.74 115.26 109.56 2ctt n ASN 26 Ca -0.03 0.71 -0.60 0.00 1.68 0.00 0.00 54.58 56.34 2ctt n ASN 26 Cb 0.11 -1.26 -0.08 0.00 -1.54 0.00 0.00 39.78 37.01 2ctt n ASN 26 CO 0.00 0.00 0.00 -0.38 0.28 0.00 0.00 177.26 177.16 2ctt n ILE 27 N -1.93 0.17 -3.58 2.41 2.08 -1.26 -4.94 119.36 112.30 2ctt n ILE 27 Ca 0.12 -0.03 -0.21 0.00 0.56 0.00 0.00 62.75 63.19 2ctt n ILE 27 Cb 0.48 -0.89 -0.15 0.00 -0.75 0.00 0.00 39.64 38.33 2ctt n ILE 27 CO 0.00 0.00 0.00 -0.04 0.56 0.00 0.00 176.55 177.07 2ctt s MET 28 N 2.84 0.09 0.43 0.38 -1.94 -1.26 -4.44 119.30 115.40 2ctt s MET 28 Ca 0.98 0.19 0.04 0.00 -1.71 0.00 0.00 55.69 55.19 2ctt s MET 28 Cb -1.20 -1.19 -0.02 0.00 2.01 0.00 0.00 34.83 34.44 2ctt s MET 28 CO 0.68 -0.57 0.13 -0.51 -0.01 0.00 0.00 175.02 174.74 2ctt s ASP 29 N 2.24 3.00 0.14 3.03 1.11 -0.67 -4.97 116.67 120.54 2ctt s ASP 29 Ca 0.04 -1.72 -0.30 0.00 0.18 0.00 0.00 52.55 50.75 2ctt s ASP 29 Cb -0.15 0.59 -0.06 0.00 1.07 0.00 0.00 42.92 44.37 2ctt s ASP 29 CO -0.09 -0.98 0.97 -0.89 1.18 0.00 0.00 175.17 175.36 2ctt s THR 30 N -3.15 4.38 0.93 -1.27 2.01 -1.26 -0.56 115.64 116.72 2ctt s THR 30 Ca 0.20 2.04 -0.14 0.00 0.31 0.00 0.00 61.69 64.10 2ctt s THR 30 Cb 0.01 -4.30 -0.03 0.00 0.01 0.00 0.00 72.50 68.20 2ctt s THR 30 CO 0.14 0.34 0.08 0.00 -0.69 0.00 0.00 174.62 174.49 2ctt n GLU 32 N -0.39 2.73 0.05 0.00 1.02 -1.26 -3.52 120.64 119.28 2ctt n GLU 32 Ca 0.05 -0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.07 2ctt n GLU 32 Cb 0.54 -1.20 -0.08 0.00 -0.02 0.00 0.00 31.44 30.68 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 -0.20 0.00 3.49 2.43 -1.98 -3.30 114.38 114.83 2ctt h ARG 33 Ca -0.21 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.97 2ctt h ARG 33 Cb 1.47 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 31.07 2ctt h ARG 33 CO 0.01 0.24 -0.62 0.00 -1.51 0.00 0.00 179.97 178.10 2ctt n ASN 35 N -1.62 -4.16 -1.35 0.00 3.02 -1.24 -2.50 115.26 107.42 2ctt n ASN 35 Ca 0.05 -0.48 -0.12 0.00 -0.03 0.00 0.00 54.58 54.00 2ctt n ASN 35 Cb 0.36 -4.36 -0.00 0.00 -0.61 0.00 0.00 39.78 35.17 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 -1.50 -0.11 0.09 7.41 0.00 -1.23 -4.90 105.19 104.96 2ctt n GLY 36 Ca -0.10 -0.39 -0.10 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.14 0.53 0.00 1.61 4.76 -1.04 -4.80 118.16 117.08 2ctt n LYS 37 Ca -0.13 0.23 0.00 0.00 -2.87 0.00 0.00 58.31 55.53 2ctt n LYS 37 Cb 0.60 -1.44 0.00 0.00 -1.84 0.00 0.00 35.03 32.35 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 1.46 1.29 3.14 0.72 0.00 -1.26 -4.73 105.19 105.80 2ctt n GLY 38 Ca -0.16 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.54 0.36 0.36 1.61 4.22 -1.26 -2.66 114.94 116.04 2ctt s ASN 39 Ca 0.00 -1.00 -0.28 0.00 -2.14 0.00 0.00 52.86 49.44 2ctt s ASN 39 Cb 0.00 0.26 -0.11 0.00 1.28 0.00 0.00 41.25 42.68 2ctt s ASN 39 CO 0.00 -0.67 1.42 -1.61 -2.04 0.00 0.00 177.10 174.20 2ctt s GLU 40 N -3.95 4.20 0.00 3.55 0.41 -0.93 -4.42 118.70 117.57 2ctt s GLU 40 Ca 0.12 2.44 0.02 0.00 -0.41 0.00 0.00 54.97 57.13 2ctt s GLU 40 Cb 0.07 -3.01 0.13 0.00 -1.78 0.00 0.00 34.13 29.54 2ctt s GLU 40 CO -0.07 -0.40 0.61 -0.35 -0.49 0.00 0.00 175.26 174.56 2ctt n PRO 41 N 0.60 0.49 -1.53 0.39 -0.04 -1.26 -2.51 135.00 131.14 2ctt n PRO 41 Ca 0.01 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.51 2ctt n PRO 41 Cb 0.40 -1.07 0.02 0.00 -0.04 0.00 0.00 33.50 32.82 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 1.07 3.33 0.55 0.00 -1.26 -5.10 105.19 103.77 2ctt n GLY 42 Ca 0.02 -0.86 -0.17 0.00 0.00 0.00 0.00 46.02 45.00 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 -0.16 0.94 0.50 2.61 -4.23 -1.04 -5.15 115.64 109.11 2ctt s THR 43 Ca 0.34 -2.02 0.08 0.00 -1.18 0.00 0.00 61.69 58.91 2ctt s THR 43 Cb 0.39 -2.43 0.08 0.00 1.34 0.00 0.00 72.50 71.88 2ctt s THR 43 CO -0.16 -0.25 0.64 0.29 -0.54 0.00 0.00 174.62 174.60 2ctt n LYS 44 N -0.44 0.68 -3.83 3.99 5.02 -1.26 -4.91 118.16 117.40 2ctt n LYS 44 Ca -0.04 -2.76 -0.12 0.00 -2.02 0.00 0.00 58.31 53.38 2ctt n LYS 44 Cb 0.65 -0.12 -0.11 0.00 -0.02 0.00 0.00 35.03 35.42 2ctt n LYS 44 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2ctt s VAL 45 N -2.16 0.04 -0.23 -0.18 1.01 -1.26 -4.07 120.40 113.55 2ctt s VAL 45 Ca 0.49 -0.33 0.00 0.00 0.00 0.00 0.00 61.98 62.13 2ctt s VAL 45 Cb -0.04 -0.36 0.03 0.00 0.00 0.00 0.00 36.38 36.01 2ctt s VAL 45 CO 0.31 -0.18 -0.11 -1.10 0.00 0.00 0.00 175.10 174.02 2ctt s GLN 46 N -0.64 2.75 0.32 2.72 -0.21 -1.02 -4.96 119.66 118.62 2ctt s GLN 46 Ca -0.07 -1.02 -0.19 0.00 0.02 0.00 0.00 55.36 54.10 2ctt s GLN 46 Cb -0.04 -2.86 -0.13 0.00 1.00 0.00 0.00 33.01 30.98 2ctt s GLN 46 CO 0.01 -0.39 0.11 1.58 -2.12 0.00 0.00 175.29 174.49 2ctt n HIS 47 N 4.60 -1.63 -4.05 0.91 -0.00 -1.26 -0.30 115.22 113.50 2ctt n HIS 47 Ca -0.17 0.56 -0.31 0.00 -0.00 0.00 0.00 57.72 57.80 2ctt n HIS 47 Cb 0.47 -1.52 -0.06 0.00 -0.00 0.00 0.00 29.99 28.87 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 0.56 0.00 -0.27 0.00 8.25 -1.26 -2.93 115.22 119.57 2ctt n HIS 49 Ca -0.09 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.35 2ctt n HIS 49 Cb 0.52 -0.88 0.01 0.00 1.12 0.00 0.00 29.99 30.75 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 -3.56 -0.04 -0.10 4.41 4.02 -1.26 -2.52 117.16 118.10 2ctt n TYR 50 Ca -0.44 0.84 -0.14 0.00 -0.01 0.00 0.00 57.90 58.15 2ctt n TYR 50 Cb 0.90 -0.71 -0.09 0.00 -0.02 0.00 0.00 39.34 39.41 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 2.50 0.54 0.00 0.00 0.00 -1.05 -3.86 105.19 103.32 2ctt n GLY 52 Ca -0.36 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 44.81 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 1.13 0.00 -0.02 0.00 -1.24 -4.96 105.19 97.63 2ctt n GLY 53 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.04 2ctt n GLY 53 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2ctt n SER 54 N 0.00 0.28 -3.40 1.61 3.41 -1.25 -4.82 113.62 109.45 2ctt n SER 54 Ca 0.00 -0.61 -0.25 0.00 -0.26 0.00 0.00 58.87 57.76 2ctt n SER 54 Cb 0.00 1.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.97 2ctt n SER 54 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ctt n GLY 55 N 1.13 -0.50 2.84 5.00 0.00 -1.26 -4.96 105.19 107.43 2ctt n GLY 55 Ca 0.01 0.13 -0.16 0.00 0.00 0.00 0.00 46.02 46.00 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 -6.08 0.27 0.10 1.61 -2.45 -1.26 -3.53 119.30 107.96 2ctt s MET 56 Ca 0.44 0.04 0.07 0.00 -1.25 0.00 0.00 55.69 55.00 2ctt s MET 56 Cb -0.22 -0.42 -0.04 0.00 1.25 0.00 0.00 34.83 35.41 2ctt s MET 56 CO 0.55 -0.09 -0.12 -2.00 1.05 0.00 0.00 175.02 174.41 2ctt s GLU 57 N 0.79 2.09 -0.13 4.11 2.56 0.35 -4.29 118.70 124.18 2ctt s GLU 57 Ca -0.08 -1.03 0.03 0.00 0.00 0.00 0.00 54.97 53.89 2ctt s GLU 57 Cb -0.11 -2.28 0.01 0.00 2.00 0.00 0.00 34.13 33.75 2ctt s GLU 57 CO -0.01 0.51 -0.22 0.99 -0.56 0.00 0.00 175.26 175.96 2ctt s THR 58 N -1.17 2.04 -0.62 -1.70 2.01 -1.26 -1.40 115.64 113.53 2ctt s THR 58 Ca 0.20 -0.98 -0.13 0.00 0.31 0.00 0.00 61.69 61.09 2ctt s THR 58 Cb -0.11 -1.79 0.16 0.00 0.01 0.00 0.00 72.50 70.77 2ctt s THR 58 CO 0.12 0.55 0.55 -0.63 -0.69 0.00 0.00 174.62 174.52 2ctt s ILE 59 N 0.70 5.08 -0.79 1.82 1.09 -0.90 -4.97 121.20 123.23 2ctt s ILE 59 Ca -0.10 -1.93 -0.24 0.00 -1.10 0.00 0.00 60.65 57.29 2ctt s ILE 59 Cb -0.16 -4.23 0.06 0.00 -1.06 0.00 0.00 42.46 37.07 2ctt s ILE 59 CO 0.01 -0.90 1.18 0.20 -0.10 0.00 0.00 174.94 175.32 2ctt s ASN 60 N 2.84 6.29 -0.17 3.58 0.01 -1.26 -0.24 114.94 125.99 2ctt s ASN 60 Ca 0.09 -1.04 0.01 0.00 -0.71 0.00 0.00 52.86 51.21 2ctt s ASN 60 Cb -0.23 -2.49 0.02 0.00 0.41 0.00 0.00 41.25 38.96 2ctt s ASN 60 CO -0.02 -1.53 -0.19 0.28 -1.51 0.00 0.00 177.10 174.13 2ctt s THR 61 N 4.59 1.98 0.00 1.60 -1.32 -0.76 -5.00 115.64 116.72 2ctt s THR 61 Ca 0.32 -0.89 0.00 0.00 -1.21 0.00 0.00 61.69 59.91 2ctt s THR 61 Cb -0.09 -1.79 0.00 0.00 -1.51 0.00 0.00 72.50 69.10 2ctt s THR 61 CO 0.06 0.53 0.00 0.61 -2.21 0.00 0.00 174.62 173.60 2ctt n GLY 62 N 4.63 0.98 0.00 6.08 0.00 -1.26 -2.24 105.19 113.38 2ctt n GLY 62 Ca -0.20 -0.69 0.05 0.00 0.00 0.00 0.00 46.02 45.18 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 -4.47 1.61 -0.04 -1.26 -4.73 135.00 126.60 2ctt n PRO 63 Ca 0.00 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.24 2ctt n PRO 63 Cb 0.00 -1.35 -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 1.94 -0.07 0.54 -0.12 -0.95 -5.17 117.98 112.15 2ctt s PHE 64 Ca 0.16 -1.00 -0.07 0.00 -0.05 0.00 0.00 56.93 55.97 2ctt s PHE 64 Cb 0.07 -1.27 0.02 0.00 -0.63 0.00 0.00 43.02 41.21 2ctt s PHE 64 CO 0.13 -0.03 0.20 0.54 -0.05 0.00 0.00 175.22 176.01 2ctt s VAL 65 N -3.28 0.01 0.49 -2.49 0.11 -1.26 -1.82 120.40 112.16 2ctt s VAL 65 Ca 0.34 -0.06 0.08 0.00 -2.93 0.00 0.00 61.98 59.41 2ctt s VAL 65 Cb 0.08 -0.31 0.03 0.00 -1.53 0.00 0.00 36.38 34.65 2ctt s VAL 65 CO 0.15 -0.03 0.57 -0.04 -3.33 0.00 0.00 175.10 172.42 2ctt s MET 66 N -0.03 2.48 -0.14 1.54 -1.94 0.67 -4.95 119.30 116.94 2ctt s MET 66 Ca -0.01 -1.59 -0.01 0.00 -1.71 0.00 0.00 55.69 52.37 2ctt s MET 66 Cb -0.02 -2.52 0.04 0.00 2.01 0.00 0.00 34.83 34.34 2ctt s MET 66 CO 0.00 -0.52 -0.02 1.03 -0.01 0.00 0.00 175.02 175.51 2ctt s ARG 67 N -4.40 1.02 0.03 2.03 1.81 -1.26 -2.11 118.95 116.07 2ctt s ARG 67 Ca 0.52 -0.27 0.00 0.00 -1.72 0.00 0.00 55.73 54.26 2ctt s ARG 67 Cb -0.06 -1.66 -0.02 0.00 -0.45 0.00 0.00 34.95 32.76 2ctt s ARG 67 CO 0.32 -0.42 -0.04 -1.54 -0.68 0.00 0.00 175.30 172.94 2ctt s SER 68 N 1.80 0.39 0.70 0.23 1.04 -0.49 -5.00 113.70 112.36 2ctt s SER 68 Ca 0.02 -0.59 -0.16 0.00 0.48 0.00 0.00 55.95 55.71 2ctt s SER 68 Cb -0.14 0.10 0.02 0.00 0.10 0.00 0.00 66.02 66.10 2ctt s SER 68 CO -0.07 -0.33 1.23 -0.89 0.98 0.00 0.00 173.24 174.17 2ctt s THR 69 N -1.82 2.21 0.90 2.02 2.01 -1.26 0.13 115.64 119.83 2ctt s THR 69 Ca -0.11 0.11 -0.15 0.00 0.31 0.00 0.00 61.69 61.85 2ctt s THR 69 Cb -0.07 -2.80 -0.05 0.00 0.01 0.00 0.00 72.50 69.59 2ctt s THR 69 CO -0.02 -0.05 0.01 0.00 -0.69 0.00 0.00 174.62 173.87 2ctt n ARG 71 N -0.01 0.86 0.46 0.00 5.12 -1.26 -3.93 116.66 117.89 2ctt n ARG 71 Ca 0.05 0.03 -0.19 0.00 -1.93 0.00 0.00 57.85 55.81 2ctt n ARG 71 Cb 0.53 -1.13 -0.09 0.00 -1.16 0.00 0.00 32.46 30.62 2ctt n ARG 71 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2ctt h ARG 72 N 0.00 -1.13 0.06 5.56 2.47 -1.99 -3.36 114.38 115.98 2ctt h ARG 72 Ca -0.14 0.08 -0.24 0.00 -1.26 0.00 0.00 59.98 58.41 2ctt h ARG 72 Cb 1.24 0.26 -0.02 0.00 -1.65 0.00 0.00 29.97 29.80 2ctt h ARG 72 CO -0.02 -0.75 -1.30 0.00 0.56 0.00 0.00 179.97 178.47 2ctt n GLY 74 N 1.63 1.90 1.06 0.00 0.00 -1.25 -4.60 105.19 103.93 2ctt n GLY 74 Ca -0.28 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.81 0.81 0.00 -0.02 0.00 -1.26 -4.86 105.19 99.04 2ctt n GLY 75 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.52 2.58 0.00 1.61 3.00 -1.26 -4.84 116.66 117.23 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 0.40 -0.92 0.00 0.00 0.00 0.00 0.00 32.46 31.94 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 2.72 0.76 3.74 5.14 0.00 -1.26 -4.89 105.19 111.39 2ctt n GLY 77 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.25 -0.55 1.61 0.01 -1.26 -2.96 113.70 108.36 2ctt s SER 78 Ca 0.00 -0.62 -0.19 0.00 1.31 0.00 0.00 55.95 56.46 2ctt s SER 78 Cb 0.00 0.68 0.08 0.00 0.21 0.00 0.00 66.02 66.99 2ctt s SER 78 CO 0.00 -1.25 0.65 -0.63 0.41 0.00 0.00 173.24 172.42 2ctt s ILE 79 N -3.92 4.88 -0.88 1.44 1.09 0.59 -4.53 121.20 119.87 2ctt s ILE 79 Ca 0.12 -0.82 -0.25 0.00 -1.10 0.00 0.00 60.65 58.61 2ctt s ILE 79 Cb -0.04 -4.39 0.03 0.00 -1.06 0.00 0.00 42.46 37.00 2ctt s ILE 79 CO 0.05 -0.96 1.48 -0.63 -0.10 0.00 0.00 174.94 174.79 2ctt s ILE 80 N 2.56 3.75 0.44 2.92 1.01 -1.26 -2.42 121.20 128.21 2ctt s ILE 80 Ca 0.12 -0.25 0.27 0.00 0.00 0.00 0.00 60.65 60.79 2ctt s ILE 80 Cb -0.22 -4.80 0.47 0.00 0.01 0.00 0.00 42.46 37.91 2ctt s ILE 80 CO 0.08 -1.72 1.71 0.40 0.00 0.00 0.00 174.94 175.42 2ctt h ILE 81 N 6.60 0.33 -3.03 2.92 5.03 -1.95 -3.26 117.51 124.16 2ctt h ILE 81 Ca -0.01 -0.07 -0.58 0.00 -0.12 0.00 0.00 64.86 64.08 2ctt h ILE 81 Cb 1.03 0.12 -0.40 0.00 -3.03 0.00 0.00 36.82 34.54 2ctt h ILE 81 CO 1.34 0.04 -0.76 -0.44 -0.68 0.00 0.00 178.15 177.64 2ctt s SER 82 N -4.90 3.81 0.26 1.72 0.01 -1.26 -5.12 113.70 108.23 2ctt s SER 82 Ca -0.08 -1.80 -0.29 0.00 1.31 0.00 0.00 55.95 55.09 2ctt s SER 82 Cb 0.27 -0.78 -0.09 0.00 0.21 0.00 0.00 66.02 65.62 2ctt s SER 82 CO 0.81 -0.39 1.26 -2.16 0.41 0.00 0.00 173.24 173.18 2ctt s PRO 83 N 1.43 4.43 0.63 12.44 0.04 -1.23 -2.19 135.00 150.55 2ctt s PRO 83 Ca 0.12 2.05 -0.15 0.00 0.04 0.00 0.00 61.00 63.06 2ctt s PRO 83 Cb -0.19 -3.15 -0.13 0.00 0.04 0.00 0.00 34.50 31.07 2ctt s PRO 83 CO -0.20 -0.12 -0.36 0.00 0.04 0.00 0.00 177.00 176.35 2ctt n VAL 85 N -1.69 0.73 -0.07 0.00 0.24 -1.26 -3.23 118.33 113.05 2ctt n VAL 85 Ca 0.03 -0.86 -0.12 0.00 -2.04 0.00 0.00 64.34 61.34 2ctt n VAL 85 Cb 0.45 0.71 -0.06 0.00 -1.47 0.00 0.00 33.84 33.47 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 0.73 0.76 0.26 3.34 0.31 -1.26 -4.76 118.33 117.71 2ctt n VAL 86 Ca 0.12 -0.24 0.04 0.00 -0.01 0.00 0.00 64.34 64.26 2ctt n VAL 86 Cb 0.43 -1.37 -0.05 0.00 -0.91 0.00 0.00 33.84 31.93 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 -5.43 -3.39 0.00 3.00 -1.20 -3.06 116.66 105.18 2ctt n ARG 88 Ca 0.00 0.70 -0.19 0.00 -0.01 0.00 0.00 57.85 58.35 2ctt n ARG 88 Cb 0.16 -5.27 0.07 0.00 0.00 0.00 0.00 32.46 27.42 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 -1.11 -0.27 0.09 -0.13 0.00 -1.22 -4.85 105.19 97.70 2ctt n GLY 89 Ca -0.24 0.08 -0.11 0.00 0.00 0.00 0.00 46.02 45.75 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 -4.50 1.58 0.00 4.61 0.00 -1.17 -4.90 120.51 116.12 2ctt n ALA 90 Ca -0.01 -0.97 0.00 0.00 0.00 0.00 0.00 53.44 52.46 2ctt n ALA 90 Cb 0.56 -0.03 0.00 0.00 0.00 0.00 0.00 19.45 19.97 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 2.27 1.60 3.13 0.00 0.00 -1.26 -4.99 105.19 105.95 2ctt n GLY 91 Ca -0.32 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.87 0.41 0.24 1.61 -0.21 -1.26 -3.18 119.66 116.39 2ctt s GLN 92 Ca 0.00 0.00 0.01 0.00 0.02 0.00 0.00 55.36 55.39 2ctt s GLN 92 Cb 0.00 0.18 -0.00 0.00 1.00 0.00 0.00 33.01 34.19 2ctt s GLN 92 CO 0.00 -0.08 0.04 0.00 -2.12 0.00 0.00 175.29 173.13 2ctt n ALA 93 N 2.19 0.26 -2.99 6.09 0.00 0.28 -4.70 120.51 121.65 2ctt n ALA 93 Ca -0.17 -1.13 -0.43 0.00 0.00 0.00 0.00 53.44 51.70 2ctt n ALA 93 Cb 0.57 0.69 -0.08 0.00 0.00 0.00 0.00 19.45 20.63 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 -2.88 2.88 -1.00 0.00 0.00 -1.26 -1.67 119.74 115.81 2ctt s LYS 94 Ca 0.06 -1.38 -0.13 0.00 0.00 0.00 0.00 55.97 54.51 2ctt s LYS 94 Cb 0.00 -4.04 0.22 0.00 0.00 0.00 0.00 37.83 34.02 2ctt s LYS 94 CO 0.04 -1.01 1.04 -0.65 0.00 0.00 0.00 175.35 174.77 2ctt s GLN 95 N 1.58 3.89 0.28 1.78 1.11 -1.26 -4.99 119.66 122.05 2ctt s GLN 95 Ca 0.04 -2.65 0.09 0.00 0.01 0.00 0.00 55.36 52.86 2ctt s GLN 95 Cb -0.24 -4.64 -0.05 0.00 -1.01 0.00 0.00 33.01 27.07 2ctt s GLN 95 CO 0.05 -1.41 -0.13 0.21 0.01 0.00 0.00 175.29 174.02 2ctt s LYS 96 N 0.23 1.62 0.52 2.91 2.20 -1.26 -4.88 119.74 121.08 2ctt s LYS 96 Ca 0.28 -1.78 -0.19 0.00 -0.36 0.00 0.00 55.97 53.92 2ctt s LYS 96 Cb -0.08 -1.49 -0.07 0.00 -1.51 0.00 0.00 37.83 34.68 2ctt s LYS 96 CO -0.07 0.19 1.05 0.15 -0.36 0.00 0.00 175.35 176.31 2ctt s LYS 97 N -3.61 3.64 0.00 4.03 1.02 -1.26 -4.91 119.74 118.65 2ctt s LYS 97 Ca 0.29 1.32 -0.03 0.00 0.02 0.00 0.00 55.97 57.57 2ctt s LYS 97 Cb -0.00 -2.07 -0.15 0.00 -0.52 0.00 0.00 37.83 35.08 2ctt s LYS 97 CO 0.13 -0.56 2.83 0.54 -0.92 0.00 0.00 175.35 177.37 2ctt n ARG 98 N -1.31 1.51 -3.47 1.68 3.00 -1.26 -4.76 116.66 112.07 2ctt n ARG 98 Ca 0.09 -0.57 -0.43 0.00 -0.01 0.00 0.00 57.85 56.93 2ctt n ARG 98 Cb 0.53 -1.60 -0.06 0.00 0.00 0.00 0.00 32.46 31.33 2ctt n ARG 98 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 2ctt s SER 99 N 2.03 6.10 0.00 0.55 0.15 -1.26 -4.90 113.70 116.37 2ctt s SER 99 Ca 0.38 -2.43 0.00 0.00 0.70 0.00 0.00 55.95 54.60 2ctt s SER 99 Cb 0.18 -2.08 0.00 0.00 -1.71 0.00 0.00 66.02 62.41 2ctt s SER 99 CO 0.00 -0.59 0.00 0.61 1.20 0.00 0.00 173.24 174.46 2ctt n GLY 100 N 4.25 3.35 1.68 9.45 0.00 -1.26 -5.15 105.19 117.51 2ctt n GLY 100 Ca 0.04 -0.82 -0.14 0.00 0.00 0.00 0.00 46.02 45.09 2ctt n GLY 100 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2ctt n PRO 101 N 0.00 -2.05 -4.23 1.61 -0.04 -1.26 -5.10 135.00 123.94 2ctt n PRO 101 Ca 0.00 -0.84 -0.13 0.00 -0.04 0.00 0.00 63.50 62.49 2ctt n PRO 101 Cb 0.00 -0.79 -0.10 0.00 -0.04 0.00 0.00 33.50 32.57 2ctt n PRO 101 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2ctt s SER 102 N -2.92 1.06 0.19 3.54 0.01 -1.26 -5.06 113.70 109.25 2ctt s SER 102 Ca 0.34 -1.19 -0.19 0.00 1.31 0.00 0.00 55.95 56.22 2ctt s SER 102 Cb -0.03 0.15 0.13 0.00 0.21 0.00 0.00 66.02 66.48 2ctt s SER 102 CO 0.26 -0.60 1.60 -1.28 0.41 0.00 0.00 173.24 173.63 2ctt h SER 103 N 2.71 -0.95 0.00 2.44 0.87 -2.09 -3.57 113.55 112.96 2ctt h SER 103 Ca -0.36 0.20 0.00 0.00 -1.23 0.00 0.00 61.79 60.40 2ctt h SER 103 Cb 1.20 0.49 0.00 0.00 -0.44 0.00 0.00 62.40 63.65 2ctt h SER 103 CO 0.62 -0.28 0.00 0.61 -0.53 0.00 0.00 176.83 177.25