#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 1.10 0.02 1.61 0.15 -1.26 -5.14 113.70 110.18 2ctt s SER 2 Ca 0.00 -0.16 0.02 0.00 0.70 0.00 0.00 55.95 56.50 2ctt s SER 2 Cb 0.00 -0.47 -0.02 0.00 -1.71 0.00 0.00 66.02 63.82 2ctt s SER 2 CO 0.00 -0.01 -0.07 -0.55 1.20 0.00 0.00 173.24 173.81 2ctt s SER 3 N 0.69 0.75 0.00 5.45 0.15 -1.26 -5.14 113.70 114.33 2ctt s SER 3 Ca -0.10 -0.36 0.00 0.00 0.70 0.00 0.00 55.95 56.19 2ctt s SER 3 Cb -0.13 -0.01 0.00 0.00 -1.71 0.00 0.00 66.02 64.17 2ctt s SER 3 CO 0.01 -0.09 0.00 0.61 1.20 0.00 0.00 173.24 174.97 2ctt n GLY 4 N 2.09 3.44 3.61 9.45 0.00 -1.26 -5.19 105.19 117.33 2ctt n GLY 4 Ca -0.19 -0.73 -0.08 0.00 0.00 0.00 0.00 46.02 45.02 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 0.00 -0.36 0.14 1.61 0.15 -1.26 -5.19 113.70 108.79 2ctt s SER 5 Ca 0.00 -0.21 -0.25 0.00 0.70 0.00 0.00 55.95 56.19 2ctt s SER 5 Cb 0.00 0.54 0.07 0.00 -1.71 0.00 0.00 66.02 64.91 2ctt s SER 5 CO 0.00 -0.92 0.81 -0.44 1.20 0.00 0.00 173.24 173.89 2ctt s SER 6 N -2.75 -0.33 0.00 5.45 0.01 -1.26 -5.18 113.70 109.64 2ctt s SER 6 Ca 0.07 -0.25 0.00 0.00 1.31 0.00 0.00 55.95 57.08 2ctt s SER 6 Cb -0.02 0.54 0.00 0.00 0.21 0.00 0.00 66.02 66.75 2ctt s SER 6 CO -0.04 -0.94 0.00 0.61 0.41 0.00 0.00 173.24 173.28 2ctt n GLY 7 N -0.39 -0.61 3.59 3.44 0.00 -1.26 -5.18 105.19 104.78 2ctt n GLY 7 Ca -0.09 -0.87 -0.06 0.00 0.00 0.00 0.00 46.02 45.01 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 -0.99 0.80 0.26 1.61 -2.45 -1.26 -5.14 119.30 112.13 2ctt s MET 8 Ca 0.00 -0.36 -0.31 0.00 -1.25 0.00 0.00 55.69 53.77 2ctt s MET 8 Cb 0.00 0.33 -0.12 0.00 1.25 0.00 0.00 34.83 36.28 2ctt s MET 8 CO 0.00 -0.36 1.57 -0.85 1.05 0.00 0.00 175.02 176.43 2ctt n GLU 9 N -0.30 2.53 0.05 4.11 0.00 -1.26 -4.90 120.64 120.87 2ctt n GLU 9 Ca -0.07 0.90 0.00 0.00 0.00 0.00 0.00 57.16 58.00 2ctt n GLU 9 Cb 0.61 -2.67 0.00 0.00 0.00 0.00 0.00 31.44 29.38 2ctt n GLU 9 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 2ctt n LEU 10 N 2.47 0.48 -4.13 -1.84 4.77 -1.26 -5.14 117.00 112.36 2ctt n LEU 10 Ca 0.11 0.17 -0.09 0.00 -0.03 0.00 0.00 56.01 56.17 2ctt n LEU 10 Cb 0.35 -0.07 -0.10 0.00 -2.33 0.00 0.00 43.42 41.27 2ctt n LEU 10 CO 0.64 -0.68 -0.29 0.42 -1.33 0.00 0.00 177.39 176.14 2ctt s THR 11 N -1.68 0.12 0.23 -5.08 -4.23 -1.26 -5.17 115.64 98.58 2ctt s THR 11 Ca 0.00 -1.87 0.05 0.00 -1.18 0.00 0.00 61.69 58.69 2ctt s THR 11 Cb 0.00 -1.95 -0.03 0.00 1.34 0.00 0.00 72.50 71.86 2ctt s THR 11 CO 0.00 -0.54 0.29 0.72 -0.54 0.00 0.00 174.62 174.54 2ctt s PHE 12 N -4.02 3.32 0.42 3.99 -0.12 -1.26 -5.12 117.98 115.19 2ctt s PHE 12 Ca 0.21 -0.04 -0.00 0.00 -0.05 0.00 0.00 56.93 57.05 2ctt s PHE 12 Cb 0.07 -1.52 -0.02 0.00 -0.63 0.00 0.00 43.02 40.93 2ctt s PHE 12 CO -0.00 0.48 0.65 1.21 -0.05 0.00 0.00 175.22 177.50 2ctt s ASN 13 N -3.82 6.02 0.35 1.98 2.47 -1.26 -5.08 114.94 115.61 2ctt s ASN 13 Ca 0.33 0.40 -0.25 0.00 0.42 0.00 0.00 52.86 53.77 2ctt s ASN 13 Cb -0.09 -1.76 -0.10 0.00 -1.45 0.00 0.00 41.25 37.85 2ctt s ASN 13 CO 0.27 -0.56 0.97 -1.10 -3.72 0.00 0.00 177.10 172.96 2ctt s GLN 14 N -4.50 4.44 0.33 0.43 -1.52 -1.26 -5.07 119.66 112.51 2ctt s GLN 14 Ca 0.46 1.34 0.04 0.00 -1.95 0.00 0.00 55.36 55.25 2ctt s GLN 14 Cb -0.10 -2.66 -0.06 0.00 -0.22 0.00 0.00 33.01 29.97 2ctt s GLN 14 CO 0.38 0.14 0.06 0.00 -0.25 0.00 0.00 175.29 175.62 2ctt s ALA 15 N -1.70 2.36 0.02 6.09 0.00 -1.26 -5.17 121.76 122.10 2ctt s ALA 15 Ca 0.53 -2.05 -0.07 0.00 0.00 0.00 0.00 51.96 50.37 2ctt s ALA 15 Cb -0.18 0.67 -0.00 0.00 0.00 0.00 0.00 23.12 23.61 2ctt s ALA 15 CO 0.23 -0.31 0.14 0.00 0.00 0.00 0.00 175.76 175.82 2ctt s ALA 16 N -3.30 -0.25 -0.60 0.00 0.00 -1.26 -5.12 121.76 111.23 2ctt s ALA 16 Ca 0.36 -0.32 -0.15 0.00 0.00 0.00 0.00 51.96 51.85 2ctt s ALA 16 Cb 0.09 0.20 0.15 0.00 0.00 0.00 0.00 23.12 23.56 2ctt s ALA 16 CO 0.16 -0.29 0.55 0.15 0.00 0.00 0.00 175.76 176.33 2ctt s LYS 17 N -2.12 3.10 0.40 0.00 1.02 -1.26 -5.06 119.74 115.81 2ctt s LYS 17 Ca -0.09 -1.88 -0.15 0.00 0.02 0.00 0.00 55.97 53.87 2ctt s LYS 17 Cb -0.04 -4.31 -0.09 0.00 -0.52 0.00 0.00 37.83 32.88 2ctt s LYS 17 CO -0.02 -1.32 0.83 0.20 -0.92 0.00 0.00 175.35 174.12 2ctt s GLY 18 N 3.23 2.21 0.30 -3.33 0.00 -1.26 -4.95 107.32 103.53 2ctt s GLY 18 Ca 0.06 0.09 0.25 0.00 0.00 0.00 0.00 44.72 45.12 2ctt s GLY 18 CO 0.00 0.31 1.74 -0.24 0.00 0.00 0.00 173.10 174.92 2ctt h VAL 19 N 1.58 0.00 -6.69 1.40 3.04 -2.08 -3.46 116.25 110.05 2ctt h VAL 19 Ca -0.48 -0.23 -0.54 0.00 -1.01 0.00 0.00 66.70 64.44 2ctt h VAL 19 Cb 1.18 0.96 -0.14 0.00 -2.01 0.00 0.00 31.29 31.29 2ctt h VAL 19 CO 0.63 0.00 -0.88 0.59 -1.01 0.00 0.00 177.57 176.90 2ctt n ASN 20 N -2.34 -1.18 -3.64 3.17 3.02 -1.26 -4.91 115.26 108.12 2ctt n ASN 20 Ca 0.01 -1.05 -0.04 0.00 -0.03 0.00 0.00 54.58 53.48 2ctt n ASN 20 Cb 0.21 -2.70 -0.05 0.00 -0.61 0.00 0.00 39.78 36.63 2ctt n ASN 20 CO 0.00 0.00 0.00 -1.59 -2.62 0.00 0.00 177.26 173.05 2ctt s LYS 21 N -6.82 0.13 -0.11 3.52 -2.85 -1.26 -5.18 119.74 107.17 2ctt s LYS 21 Ca 0.27 0.08 -0.25 0.00 -1.00 0.00 0.00 55.97 55.07 2ctt s LYS 21 Cb -0.15 0.06 0.06 0.00 -2.06 0.00 0.00 37.83 35.74 2ctt s LYS 21 CO 0.92 -0.03 0.61 -1.21 0.10 0.00 0.00 175.35 175.74 2ctt s GLU 22 N -0.55 0.89 -0.21 1.78 2.02 -1.26 -5.16 118.70 116.20 2ctt s GLU 22 Ca 0.07 0.40 -0.10 0.00 0.02 0.00 0.00 54.97 55.36 2ctt s GLU 22 Cb -0.03 0.42 0.08 0.00 0.10 0.00 0.00 34.13 34.70 2ctt s GLU 22 CO -0.10 -0.23 0.50 0.12 0.02 0.00 0.00 175.26 175.57 2ctt s PHE 23 N -0.69 -0.83 -0.03 1.61 2.19 -1.26 -5.16 117.98 113.81 2ctt s PHE 23 Ca -0.08 1.64 0.01 0.00 0.33 0.00 0.00 56.93 58.84 2ctt s PHE 23 Cb -0.02 0.41 0.02 0.00 -1.31 0.00 0.00 43.02 42.12 2ctt s PHE 23 CO 0.06 -0.45 -0.05 -0.08 1.83 0.00 0.00 175.22 176.53 2ctt s THR 24 N 1.91 0.51 -0.29 0.12 -1.32 -1.26 -5.13 115.64 110.18 2ctt s THR 24 Ca -0.07 -0.15 -0.16 0.00 -1.21 0.00 0.00 61.69 60.10 2ctt s THR 24 Cb -0.09 -0.51 0.15 0.00 -1.51 0.00 0.00 72.50 70.54 2ctt s THR 24 CO -0.15 0.20 1.00 0.54 -2.21 0.00 0.00 174.62 174.00 2ctt s VAL 25 N 0.67 -0.06 -1.45 5.08 0.11 -1.26 -4.96 120.40 118.53 2ctt s VAL 25 Ca -0.09 0.00 -0.09 0.00 -2.93 0.00 0.00 61.98 58.87 2ctt s VAL 25 Cb -0.12 -1.00 0.03 0.00 -1.53 0.00 0.00 36.38 33.76 2ctt s VAL 25 CO 0.00 0.00 0.92 0.59 -3.33 0.00 0.00 175.10 173.28 2ctt n ASN 26 N 3.80 -5.73 -4.68 3.54 4.13 -1.26 -4.87 115.26 110.19 2ctt n ASN 26 Ca -0.17 -0.51 -0.43 0.00 1.68 0.00 0.00 54.58 55.15 2ctt n ASN 26 Cb 0.57 -4.57 -0.03 0.00 -1.54 0.00 0.00 39.78 34.20 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 -4.71 0.51 -3.60 2.41 2.08 -1.26 -4.97 119.36 109.82 2ctt n ILE 27 Ca -0.02 -0.09 -0.27 0.00 0.56 0.00 0.00 62.75 62.93 2ctt n ILE 27 Cb 0.57 -2.17 -0.16 0.00 -0.75 0.00 0.00 39.64 37.13 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 3.38 0.20 0.29 0.38 -1.94 -1.26 -4.28 119.30 116.07 2ctt s MET 28 Ca 0.85 -0.33 0.01 0.00 -1.71 0.00 0.00 55.69 54.51 2ctt s MET 28 Cb -0.48 -1.61 -0.00 0.00 2.01 0.00 0.00 34.83 34.74 2ctt s MET 28 CO 0.40 -0.81 0.04 -3.47 -0.01 0.00 0.00 175.02 171.16 2ctt n ASP 29 N 5.23 2.11 -4.71 3.03 2.03 -0.04 -4.92 116.55 119.29 2ctt n ASP 29 Ca -0.07 -2.37 -0.42 0.00 0.52 0.00 0.00 54.79 52.45 2ctt n ASP 29 Cb 0.46 0.40 -0.03 0.00 -0.72 0.00 0.00 41.12 41.23 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 -2.29 3.86 0.47 5.18 2.01 -1.26 0.35 115.64 123.96 2ctt s THR 30 Ca 0.06 1.31 -0.22 0.00 0.31 0.00 0.00 61.69 63.15 2ctt s THR 30 Cb 0.00 -3.84 -0.10 0.00 0.01 0.00 0.00 72.50 68.58 2ctt s THR 30 CO 0.04 0.07 0.83 0.00 -0.69 0.00 0.00 174.62 174.87 2ctt n GLU 32 N 0.01 1.14 -0.16 0.00 0.28 -1.26 -2.18 120.64 118.47 2ctt n GLU 32 Ca 0.11 -0.00 -0.09 0.00 -0.16 0.00 0.00 57.16 57.02 2ctt n GLU 32 Cb 0.42 -1.45 0.00 0.00 1.43 0.00 0.00 31.44 31.84 2ctt n GLU 32 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 177.13 176.88 2ctt h ARG 33 N 0.00 0.75 -0.01 3.44 2.43 -1.97 -3.21 114.38 115.81 2ctt h ARG 33 Ca -0.47 -0.18 0.00 0.00 -0.81 0.00 0.00 59.98 58.52 2ctt h ARG 33 Cb 2.06 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 31.51 2ctt h ARG 33 CO 0.02 0.73 -0.25 0.00 -1.51 0.00 0.00 179.97 178.97 2ctt n ASN 35 N -0.24 -4.49 -2.13 0.00 3.02 -1.01 -2.37 115.26 108.04 2ctt n ASN 35 Ca 0.05 -0.51 -0.16 0.00 -0.03 0.00 0.00 54.58 53.92 2ctt n ASN 35 Cb 0.24 -4.62 0.02 0.00 -0.61 0.00 0.00 39.78 34.81 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 -0.23 0.28 7.41 0.00 -0.92 -4.87 105.19 105.28 2ctt n GLY 36 Ca -0.09 -0.15 -0.06 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.97 0.37 0.00 1.61 4.76 -1.00 -4.71 118.16 116.22 2ctt n LYS 37 Ca -0.12 0.15 0.00 0.00 -2.87 0.00 0.00 58.31 55.47 2ctt n LYS 37 Cb 0.61 -1.14 0.00 0.00 -1.84 0.00 0.00 35.03 32.66 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 1.89 1.75 3.05 0.72 0.00 -1.26 -4.71 105.19 106.63 2ctt n GLY 38 Ca -0.10 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.81 2ctt n GLY 38 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2ctt s ASN 39 N -2.00 0.65 0.37 1.61 2.47 -1.26 -2.27 114.94 114.51 2ctt s ASN 39 Ca 0.00 -0.61 -0.28 0.00 0.42 0.00 0.00 52.86 52.39 2ctt s ASN 39 Cb 0.00 0.08 -0.10 0.00 -1.45 0.00 0.00 41.25 39.77 2ctt s ASN 39 CO 0.00 -0.29 1.42 -1.61 -3.72 0.00 0.00 177.10 172.90 2ctt s GLU 40 N -1.92 4.15 0.00 0.43 2.02 -1.18 -4.44 118.70 117.76 2ctt s GLU 40 Ca -0.09 2.44 0.00 0.00 0.02 0.00 0.00 54.97 57.34 2ctt s GLU 40 Cb -0.07 -2.97 0.00 0.00 0.10 0.00 0.00 34.13 31.19 2ctt s GLU 40 CO -0.01 -0.45 0.28 -0.35 0.02 0.00 0.00 175.26 174.75 2ctt n PRO 41 N 0.50 0.49 -2.22 0.39 -0.04 -1.26 -2.71 135.00 130.14 2ctt n PRO 41 Ca 0.01 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.44 2ctt n PRO 41 Cb 0.40 -1.25 0.08 0.00 -0.04 0.00 0.00 33.50 32.69 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 0.33 1.59 2.31 0.55 0.00 -1.26 -5.14 105.19 103.57 2ctt n GLY 42 Ca 0.00 -0.12 -0.17 0.00 0.00 0.00 0.00 46.02 45.72 2ctt n GLY 42 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2ctt n THR 43 N -1.14 0.00 -4.41 2.61 -2.24 -1.10 -5.17 114.28 102.83 2ctt n THR 43 Ca -0.20 -1.64 -0.25 0.00 -2.27 0.00 0.00 64.05 59.69 2ctt n THR 43 Cb 0.82 0.58 -0.10 0.00 -2.10 0.00 0.00 70.33 69.54 2ctt n THR 43 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2ctt s LYS 44 N -3.07 1.73 0.01 -0.78 1.02 -1.26 -4.99 119.74 112.41 2ctt s LYS 44 Ca 0.14 -1.58 -0.09 0.00 0.02 0.00 0.00 55.97 54.46 2ctt s LYS 44 Cb 0.01 -1.89 0.00 0.00 -0.52 0.00 0.00 37.83 35.43 2ctt s LYS 44 CO 0.10 0.37 0.18 0.54 -0.92 0.00 0.00 175.35 175.62 2ctt s VAL 45 N -2.08 0.09 0.26 3.17 0.11 -1.26 -3.55 120.40 117.14 2ctt s VAL 45 Ca 0.26 -0.73 0.08 0.00 -2.93 0.00 0.00 61.98 58.66 2ctt s VAL 45 Cb -0.07 -0.62 -0.04 0.00 -1.53 0.00 0.00 36.38 34.13 2ctt s VAL 45 CO 0.14 -0.40 0.12 -1.10 -3.33 0.00 0.00 175.10 170.52 2ctt s GLN 46 N -1.76 2.69 0.21 1.54 -0.21 -0.93 -4.94 119.66 116.26 2ctt s GLN 46 Ca -0.11 -1.19 -0.30 0.00 0.02 0.00 0.00 55.36 53.77 2ctt s GLN 46 Cb -0.05 -2.41 -0.08 0.00 1.00 0.00 0.00 33.01 31.47 2ctt s GLN 46 CO 0.00 0.39 0.97 -1.58 -2.12 0.00 0.00 175.29 172.95 2ctt s HIS 47 N -2.21 3.88 -0.10 0.91 5.65 -1.26 0.70 115.29 122.86 2ctt s HIS 47 Ca 0.32 1.85 -0.19 0.00 0.25 0.00 0.00 55.06 57.30 2ctt s HIS 47 Cb -0.07 -3.05 -0.04 0.00 -1.18 0.00 0.00 32.58 28.23 2ctt s HIS 47 CO 0.23 0.22 0.50 0.00 -0.65 0.00 0.00 174.74 175.04 2ctt h HIS 49 N 6.54 0.40 -0.55 0.00 3.86 -1.95 -2.53 115.15 120.91 2ctt h HIS 49 Ca -0.42 -0.29 0.05 0.00 -1.16 0.00 0.00 60.37 58.55 2ctt h HIS 49 Cb 1.18 -0.02 -0.07 0.00 1.06 0.00 0.00 27.41 29.57 2ctt h HIS 49 CO 0.63 1.46 -0.33 0.66 0.86 0.00 0.00 177.93 181.22 2ctt n TYR 50 N -3.40 -0.24 0.02 2.45 4.02 -1.26 -2.62 117.16 116.13 2ctt n TYR 50 Ca -0.22 0.69 -0.20 0.00 -0.01 0.00 0.00 57.90 58.16 2ctt n TYR 50 Cb 1.05 -0.53 -0.14 0.00 -0.02 0.00 0.00 39.34 39.70 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 1.92 0.72 0.00 0.00 0.00 -0.95 -4.19 105.19 102.69 2ctt n GLY 52 Ca -0.29 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.31 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 1.65 0.00 -0.02 0.00 -1.25 -4.99 105.19 98.11 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 -1.14 0.00 0.00 0.00 173.32 172.18 2ctt n SER 54 N 0.00 2.78 -0.75 1.61 3.41 -1.26 -4.82 113.62 114.59 2ctt n SER 54 Ca 0.00 -0.12 -0.07 0.00 -0.26 0.00 0.00 58.87 58.42 2ctt n SER 54 Cb 0.00 0.80 -0.01 0.00 -0.26 0.00 0.00 64.21 64.74 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 1.63 0.35 3.10 5.00 0.00 -1.26 -4.84 105.19 109.18 2ctt n GLY 55 Ca 0.00 -0.62 -0.23 0.00 0.00 0.00 0.00 46.02 45.16 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 -3.80 1.31 0.13 1.61 -2.45 -1.26 -3.21 119.30 111.62 2ctt s MET 56 Ca 0.00 -0.51 0.08 0.00 -1.25 0.00 0.00 55.69 54.01 2ctt s MET 56 Cb 0.00 -1.22 -0.04 0.00 1.25 0.00 0.00 34.83 34.82 2ctt s MET 56 CO 0.00 0.27 -0.11 -2.00 1.05 0.00 0.00 175.02 174.22 2ctt s GLU 57 N -0.16 2.04 -0.11 4.11 2.12 -0.20 -3.67 118.70 122.82 2ctt s GLU 57 Ca 0.02 -1.13 0.02 0.00 0.36 0.00 0.00 54.97 54.24 2ctt s GLU 57 Cb -0.08 -2.22 -0.01 0.00 0.26 0.00 0.00 34.13 32.08 2ctt s GLU 57 CO 0.00 0.48 -0.18 0.99 -0.54 0.00 0.00 175.26 176.02 2ctt s THR 58 N -1.35 2.65 -0.51 -1.70 2.01 -1.26 -2.25 115.64 113.24 2ctt s THR 58 Ca 0.22 -0.81 -0.06 0.00 0.31 0.00 0.00 61.69 61.35 2ctt s THR 58 Cb -0.10 -2.08 0.13 0.00 0.01 0.00 0.00 72.50 70.46 2ctt s THR 58 CO 0.13 0.54 0.35 -0.63 -0.69 0.00 0.00 174.62 174.32 2ctt s ILE 59 N 0.30 3.86 -0.58 1.82 1.09 -0.56 -4.98 121.20 122.16 2ctt s ILE 59 Ca -0.13 -2.22 -0.28 0.00 -1.10 0.00 0.00 60.65 56.92 2ctt s ILE 59 Cb -0.16 -3.56 0.02 0.00 -1.06 0.00 0.00 42.46 37.70 2ctt s ILE 59 CO 0.07 -0.79 1.32 0.20 -0.10 0.00 0.00 174.94 175.64 2ctt s ASN 60 N 1.85 6.25 -0.20 3.58 -0.87 -1.26 -0.70 114.94 123.60 2ctt s ASN 60 Ca 0.10 0.17 -0.01 0.00 -1.57 0.00 0.00 52.86 51.55 2ctt s ASN 60 Cb -0.23 -2.55 0.06 0.00 -0.02 0.00 0.00 41.25 38.51 2ctt s ASN 60 CO -0.03 -1.63 -0.01 0.28 -2.57 0.00 0.00 177.10 173.13 2ctt s THR 61 N 5.63 1.00 0.00 1.60 -1.32 -0.87 -5.02 115.64 116.66 2ctt s THR 61 Ca 0.48 -0.80 0.00 0.00 -1.21 0.00 0.00 61.69 60.16 2ctt s THR 61 Cb -0.09 -1.35 0.00 0.00 -1.51 0.00 0.00 72.50 69.55 2ctt s THR 61 CO 0.24 -0.09 0.00 0.61 -2.21 0.00 0.00 174.62 173.17 2ctt n GLY 62 N 4.88 0.74 0.00 6.08 0.00 -1.26 -2.60 105.19 113.02 2ctt n GLY 62 Ca -0.11 -0.74 0.08 0.00 0.00 0.00 0.00 46.02 45.25 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 0.41 -4.59 1.61 -0.04 -1.26 -4.75 135.00 126.38 2ctt n PRO 63 Ca 0.00 0.04 -0.27 0.00 -0.04 0.00 0.00 63.50 63.23 2ctt n PRO 63 Cb 0.00 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 31.87 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 -2.16 2.00 -0.08 0.54 -0.12 -1.07 -5.16 117.98 111.92 2ctt s PHE 64 Ca 0.21 -0.98 -0.07 0.00 -0.05 0.00 0.00 56.93 56.03 2ctt s PHE 64 Cb 0.11 -1.45 0.02 0.00 -0.63 0.00 0.00 43.02 41.07 2ctt s PHE 64 CO 0.19 0.08 0.21 0.54 -0.05 0.00 0.00 175.22 176.20 2ctt s VAL 65 N -3.03 -0.01 0.42 -2.49 0.11 -1.26 -2.06 120.40 112.09 2ctt s VAL 65 Ca 0.24 0.02 0.08 0.00 -2.93 0.00 0.00 61.98 59.39 2ctt s VAL 65 Cb 0.05 -0.31 0.01 0.00 -1.53 0.00 0.00 36.38 34.61 2ctt s VAL 65 CO 0.12 0.01 0.55 -0.04 -3.33 0.00 0.00 175.10 172.41 2ctt s MET 66 N 0.26 2.78 -0.12 1.54 1.00 0.13 -4.93 119.30 119.96 2ctt s MET 66 Ca -0.01 -1.28 -0.03 0.00 0.00 0.00 0.00 55.69 54.37 2ctt s MET 66 Cb -0.03 -2.71 0.04 0.00 0.00 0.00 0.00 34.83 32.13 2ctt s MET 66 CO -0.01 -0.28 0.05 1.03 0.00 0.00 0.00 175.02 175.81 2ctt s ARG 67 N -4.33 0.31 0.03 2.03 1.81 -1.26 -1.49 118.95 116.04 2ctt s ARG 67 Ca 0.54 0.01 0.01 0.00 -1.72 0.00 0.00 55.73 54.57 2ctt s ARG 67 Cb -0.09 -1.34 -0.02 0.00 -0.45 0.00 0.00 34.95 33.04 2ctt s ARG 67 CO 0.33 -0.48 -0.05 0.45 -0.68 0.00 0.00 175.30 174.86 2ctt s SER 68 N 2.04 0.57 0.20 0.23 0.15 -0.95 -5.00 113.70 110.93 2ctt s SER 68 Ca 0.03 -0.49 -0.31 0.00 0.70 0.00 0.00 55.95 55.88 2ctt s SER 68 Cb -0.14 0.06 -0.16 0.00 -1.71 0.00 0.00 66.02 64.06 2ctt s SER 68 CO -0.06 -0.22 0.97 0.41 1.20 0.00 0.00 173.24 175.53 2ctt n THR 69 N 1.65 1.39 -0.94 6.45 -1.04 -1.26 -1.04 114.28 119.49 2ctt n THR 69 Ca -0.22 -0.35 -0.34 0.00 -2.04 0.00 0.00 64.05 61.10 2ctt n THR 69 Cb 0.55 -0.64 0.11 0.00 -1.82 0.00 0.00 70.33 68.53 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 -1.74 3.62 -0.03 0.00 -4.01 -1.26 -3.88 116.66 109.37 2ctt n ARG 71 Ca 0.08 -0.00 -0.12 0.00 -1.04 0.00 0.00 57.85 56.78 2ctt n ARG 71 Cb 0.52 -1.05 -0.06 0.00 -3.04 0.00 0.00 32.46 28.83 2ctt n ARG 71 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 2ctt h ARG 72 N 0.00 0.17 0.05 2.89 2.47 -1.99 -3.34 114.38 114.64 2ctt h ARG 72 Ca -0.06 -0.04 -0.37 0.00 -1.26 0.00 0.00 59.98 58.26 2ctt h ARG 72 Cb 1.13 -0.02 -0.04 0.00 -1.65 0.00 0.00 29.97 29.38 2ctt h ARG 72 CO 0.00 0.33 -2.11 0.00 0.56 0.00 0.00 179.97 178.76 2ctt n GLY 74 N 1.88 1.52 1.27 0.00 0.00 -1.25 -4.56 105.19 104.05 2ctt n GLY 74 Ca -0.39 0.00 0.00 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 -1.17 0.89 0.25 -0.02 0.00 -1.25 -4.91 105.19 98.99 2ctt n GLY 75 Ca 0.00 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.68 0.00 0.00 1.61 0.63 -1.26 -4.68 116.66 112.28 2ctt n ARG 76 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 2ctt n ARG 76 Cb 0.36 -0.78 0.00 0.00 0.45 0.00 0.00 32.46 32.49 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 2.97 0.87 3.23 5.14 0.00 -1.26 -4.52 105.19 111.62 2ctt n GLY 77 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.86 -0.12 -0.59 1.61 0.01 -1.26 -1.66 113.70 110.83 2ctt s SER 78 Ca 0.00 -0.10 -0.20 0.00 1.31 0.00 0.00 55.95 56.96 2ctt s SER 78 Cb 0.00 0.32 0.09 0.00 0.21 0.00 0.00 66.02 66.64 2ctt s SER 78 CO 0.00 -0.53 0.74 -0.63 0.41 0.00 0.00 173.24 173.23 2ctt s ILE 79 N -1.99 4.75 -0.26 1.44 1.09 0.22 -4.51 121.20 121.94 2ctt s ILE 79 Ca -0.09 -0.81 -0.29 0.00 -1.10 0.00 0.00 60.65 58.36 2ctt s ILE 79 Cb -0.03 -4.49 -0.01 0.00 -1.06 0.00 0.00 42.46 36.87 2ctt s ILE 79 CO 0.00 -1.13 1.33 -0.63 -0.10 0.00 0.00 174.94 174.40 2ctt s ILE 80 N 2.90 4.13 0.22 2.92 1.01 -1.26 -2.19 121.20 128.93 2ctt s ILE 80 Ca 0.14 1.30 -0.05 0.00 0.00 0.00 0.00 60.65 62.04 2ctt s ILE 80 Cb -0.22 -4.07 0.07 0.00 0.01 0.00 0.00 42.46 38.25 2ctt s ILE 80 CO 0.08 -0.37 1.67 0.40 0.00 0.00 0.00 174.94 176.72 2ctt h ILE 81 N 5.86 1.26 -3.68 2.92 5.03 -1.96 -3.39 117.51 123.55 2ctt h ILE 81 Ca -0.27 -1.18 -0.64 0.00 -0.12 0.00 0.00 64.86 62.64 2ctt h ILE 81 Cb 1.10 0.99 -0.39 0.00 -3.03 0.00 0.00 36.82 35.50 2ctt h ILE 81 CO 1.01 0.41 -0.76 -0.55 -0.68 0.00 0.00 178.15 177.58 2ctt s SER 82 N -6.67 4.40 0.16 1.72 0.15 -1.26 -5.10 113.70 107.09 2ctt s SER 82 Ca -0.10 -1.67 -0.30 0.00 0.70 0.00 0.00 55.95 54.58 2ctt s SER 82 Cb 0.14 -1.43 -0.08 0.00 -1.71 0.00 0.00 66.02 62.94 2ctt s SER 82 CO 0.83 -0.30 1.33 -2.16 1.20 0.00 0.00 173.24 174.14 2ctt s PRO 83 N 1.14 4.37 0.46 5.44 0.04 -1.26 -3.10 135.00 142.10 2ctt s PRO 83 Ca 0.01 2.04 -0.13 0.00 0.04 0.00 0.00 61.00 62.96 2ctt s PRO 83 Cb -0.19 -3.22 -0.11 0.00 0.04 0.00 0.00 34.50 31.01 2ctt s PRO 83 CO -0.08 -0.31 -0.21 0.00 0.04 0.00 0.00 177.00 176.43 2ctt n VAL 85 N -1.31 0.00 -0.11 0.00 0.24 -1.26 -2.80 118.33 113.10 2ctt n VAL 85 Ca 0.04 -0.49 -0.18 0.00 -2.04 0.00 0.00 64.34 61.67 2ctt n VAL 85 Cb 0.37 1.35 -0.09 0.00 -1.47 0.00 0.00 33.84 34.00 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 0.93 1.24 0.03 3.34 0.31 -1.26 -4.73 118.33 118.18 2ctt n VAL 86 Ca 0.10 -0.43 0.02 0.00 -0.01 0.00 0.00 64.34 64.02 2ctt n VAL 86 Cb 0.43 -1.41 -0.03 0.00 -0.91 0.00 0.00 33.84 31.91 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 -1.57 -4.49 -3.35 0.00 3.00 -1.12 -3.30 116.66 105.84 2ctt n ARG 88 Ca -0.01 0.59 -0.19 0.00 -0.01 0.00 0.00 57.85 58.24 2ctt n ARG 88 Cb 0.11 -4.84 0.06 0.00 0.00 0.00 0.00 32.46 27.80 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 -1.10 -0.22 0.10 -0.13 0.00 -1.26 -4.81 105.19 97.77 2ctt n GLY 89 Ca -0.20 0.05 -0.12 0.00 0.00 0.00 0.00 46.02 45.76 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 -4.42 1.57 0.00 4.61 0.00 -1.21 -4.90 120.51 116.16 2ctt n ALA 90 Ca -0.01 -0.96 0.00 0.00 0.00 0.00 0.00 53.44 52.47 2ctt n ALA 90 Cb 0.55 -0.03 0.00 0.00 0.00 0.00 0.00 19.45 19.98 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 2.31 1.26 3.03 0.00 0.00 -1.26 -5.02 105.19 105.51 2ctt n GLY 91 Ca -0.33 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.95 0.41 0.34 1.61 1.11 -1.26 -2.64 119.66 118.27 2ctt s GLN 92 Ca 0.00 -0.62 -0.02 0.00 0.01 0.00 0.00 55.36 54.72 2ctt s GLN 92 Cb 0.00 0.15 0.00 0.00 -1.01 0.00 0.00 33.01 32.15 2ctt s GLN 92 CO 0.00 -0.08 0.47 0.00 0.01 0.00 0.00 175.29 175.68 2ctt s ALA 93 N -1.77 0.78 -0.51 6.09 0.00 0.16 -4.65 121.76 121.86 2ctt s ALA 93 Ca -0.13 -1.52 -0.29 0.00 0.00 0.00 0.00 51.96 50.03 2ctt s ALA 93 Cb -0.07 1.17 0.02 0.00 0.00 0.00 0.00 23.12 24.24 2ctt s ALA 93 CO -0.01 -0.79 1.26 0.15 0.00 0.00 0.00 175.76 176.37 2ctt s LYS 94 N -3.10 3.56 -0.64 0.00 1.02 -1.26 -0.86 119.74 118.46 2ctt s LYS 94 Ca 0.31 0.53 -0.01 0.00 0.02 0.00 0.00 55.97 56.81 2ctt s LYS 94 Cb -0.00 -4.00 0.16 0.00 -0.52 0.00 0.00 37.83 33.47 2ctt s LYS 94 CO 0.20 -1.61 0.45 -0.65 -0.92 0.00 0.00 175.35 172.82 2ctt s GLN 95 N 4.89 2.54 -0.80 1.68 1.11 -1.26 -4.96 119.66 122.86 2ctt s GLN 95 Ca 0.50 -2.67 -0.20 0.00 0.01 0.00 0.00 55.36 53.00 2ctt s GLN 95 Cb -0.09 -3.67 -0.14 0.00 -1.01 0.00 0.00 33.01 28.10 2ctt s GLN 95 CO 0.29 -1.18 1.95 0.36 0.01 0.00 0.00 175.29 176.72 2ctt n LYS 96 N 3.22 1.58 -4.26 2.91 2.85 -1.26 -4.84 118.16 118.36 2ctt n LYS 96 Ca 0.09 -1.81 -0.19 0.00 -1.05 0.00 0.00 58.31 55.35 2ctt n LYS 96 Cb 0.37 -2.87 -0.13 0.00 -0.65 0.00 0.00 35.03 31.75 2ctt n LYS 96 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 177.40 177.56 2ctt s LYS 97 N 4.80 0.83 -0.95 -1.58 2.47 -1.26 -5.04 119.74 119.01 2ctt s LYS 97 Ca 0.55 -0.79 -0.08 0.00 -1.56 0.00 0.00 55.97 54.09 2ctt s LYS 97 Cb 0.14 -0.82 -0.13 0.00 -1.46 0.00 0.00 37.83 35.57 2ctt s LYS 97 CO 0.10 0.19 3.14 0.54 0.16 0.00 0.00 175.35 179.48 2ctt n ARG 98 N 1.72 3.10 -4.20 4.03 1.74 -1.26 -4.85 116.66 116.94 2ctt n ARG 98 Ca -0.19 -1.89 -0.17 0.00 -0.77 0.00 0.00 57.85 54.83 2ctt n ARG 98 Cb 0.55 -2.46 -0.13 0.00 -1.02 0.00 0.00 32.46 29.40 2ctt n ARG 98 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2ctt s SER 99 N 1.84 1.27 0.56 0.55 0.15 -1.26 -5.14 113.70 111.67 2ctt s SER 99 Ca 0.67 -0.47 -0.20 0.00 0.70 0.00 0.00 55.95 56.66 2ctt s SER 99 Cb 0.24 -0.05 -0.05 0.00 -1.71 0.00 0.00 66.02 64.46 2ctt s SER 99 CO -0.05 -0.06 1.18 -0.83 1.20 0.00 0.00 173.24 174.68 2ctt s GLY 100 N -1.25 2.71 0.94 9.45 0.00 -1.26 -5.01 107.32 112.90 2ctt s GLY 100 Ca -0.03 0.95 -0.12 0.00 0.00 0.00 0.00 44.72 45.52 2ctt s GLY 100 CO 0.01 1.34 1.09 2.56 0.00 0.00 0.00 173.10 178.10 2ctt s PRO 101 N -3.24 0.91 0.06 2.90 0.04 -1.26 -5.07 135.00 129.34 2ctt s PRO 101 Ca 0.74 0.70 0.09 0.00 0.04 0.00 0.00 61.00 62.57 2ctt s PRO 101 Cb -0.28 -1.78 -0.03 0.00 0.04 0.00 0.00 34.50 32.45 2ctt s PRO 101 CO 0.31 -2.45 -0.24 0.45 0.04 0.00 0.00 177.00 175.11 2ctt s SER 102 N -3.43 2.92 -0.27 6.66 0.15 -1.26 -5.12 113.70 113.35 2ctt s SER 102 Ca 0.64 -0.59 0.01 0.00 0.70 0.00 0.00 55.95 56.72 2ctt s SER 102 Cb -0.18 -0.25 0.08 0.00 -1.71 0.00 0.00 66.02 63.96 2ctt s SER 102 CO 0.57 0.21 -0.01 -0.44 1.20 0.00 0.00 173.24 174.77 2ctt s SER 103 N -1.33 4.12 0.00 5.45 0.01 -1.26 -4.86 113.70 115.83 2ctt s SER 103 Ca 0.10 -1.48 0.22 0.00 1.31 0.00 0.00 55.95 56.11 2ctt s SER 103 Cb -0.10 -1.25 1.34 0.00 0.21 0.00 0.00 66.02 66.23 2ctt s SER 103 CO 0.02 -0.29 1.71 0.61 0.41 0.00 0.00 173.24 175.70