#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 -0.05 0.33 1.61 0.01 -1.26 -5.19 113.70 109.15 2ctt s SER 2 Ca 0.00 -0.39 -0.12 0.00 1.31 0.00 0.00 55.95 56.74 2ctt s SER 2 Cb 0.00 0.35 0.02 0.00 0.21 0.00 0.00 66.02 66.61 2ctt s SER 2 CO 0.00 -0.68 0.63 -0.94 0.41 0.00 0.00 173.24 172.67 2ctt s SER 3 N -3.26 0.20 0.00 2.44 1.04 -1.26 -5.19 113.70 107.67 2ctt s SER 3 Ca 0.19 -1.12 0.00 0.00 0.48 0.00 0.00 55.95 55.50 2ctt s SER 3 Cb -0.00 0.73 0.00 0.00 0.10 0.00 0.00 66.02 66.85 2ctt s SER 3 CO 0.01 -1.43 0.00 0.61 0.98 0.00 0.00 173.24 173.41 2ctt n GLY 4 N -0.50 5.12 3.65 7.32 0.00 -1.26 -5.19 105.19 114.33 2ctt n GLY 4 Ca -0.04 -1.47 -0.11 0.00 0.00 0.00 0.00 46.02 44.39 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 0.74 0.39 0.08 1.61 0.15 -1.26 -5.19 113.70 110.23 2ctt s SER 5 Ca 0.00 -1.25 -0.03 0.00 0.70 0.00 0.00 55.95 55.37 2ctt s SER 5 Cb 0.00 0.74 -0.03 0.00 -1.71 0.00 0.00 66.02 65.02 2ctt s SER 5 CO 0.00 -1.45 0.05 -0.94 1.20 0.00 0.00 173.24 172.11 2ctt s SER 6 N -3.13 0.35 0.00 5.45 1.04 -1.26 -5.18 113.70 110.97 2ctt s SER 6 Ca 0.23 -0.97 0.00 0.00 0.48 0.00 0.00 55.95 55.68 2ctt s SER 6 Cb -0.03 0.26 0.00 0.00 0.10 0.00 0.00 66.02 66.36 2ctt s SER 6 CO 0.15 -0.67 0.00 0.61 0.98 0.00 0.00 173.24 174.31 2ctt n GLY 7 N 0.01 5.35 3.39 7.32 0.00 -1.26 -5.18 105.19 114.83 2ctt n GLY 7 Ca -0.12 -2.10 -0.14 0.00 0.00 0.00 0.00 46.02 43.67 2ctt n GLY 7 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2ctt s MET 8 N -0.98 1.62 -0.21 1.61 1.00 -1.26 -5.18 119.30 115.89 2ctt s MET 8 Ca 0.00 -1.68 -0.29 0.00 0.00 0.00 0.00 55.69 53.73 2ctt s MET 8 Cb 0.00 0.38 0.15 0.00 0.00 0.00 0.00 34.83 35.36 2ctt s MET 8 CO 0.00 -0.63 1.12 -2.00 0.00 0.00 0.00 175.02 173.51 2ctt s GLU 9 N -3.61 0.42 0.05 2.03 2.56 -1.26 -5.18 118.70 113.72 2ctt s GLU 9 Ca 0.33 0.17 0.06 0.00 0.00 0.00 0.00 54.97 55.53 2ctt s GLU 9 Cb 0.02 0.20 -0.03 0.00 2.00 0.00 0.00 34.13 36.33 2ctt s GLU 9 CO 0.17 -0.12 -0.17 -0.48 -0.56 0.00 0.00 175.26 174.11 2ctt s LEU 10 N -0.83 2.20 -0.14 2.70 2.34 -1.26 -5.15 118.68 118.54 2ctt s LEU 10 Ca 0.02 -0.53 -0.26 0.00 0.06 0.00 0.00 54.13 53.42 2ctt s LEU 10 Cb -0.01 -0.74 0.06 0.00 -0.56 0.00 0.00 46.19 44.94 2ctt s LEU 10 CO -0.03 0.06 0.64 0.28 -1.06 0.00 0.00 176.35 176.24 2ctt s THR 11 N -0.93 0.00 0.27 5.48 -1.32 -1.26 -5.17 115.64 112.71 2ctt s THR 11 Ca 0.03 -0.04 -0.05 0.00 -1.21 0.00 0.00 61.69 60.43 2ctt s THR 11 Cb -0.09 -0.93 -0.05 0.00 -1.51 0.00 0.00 72.50 69.92 2ctt s THR 11 CO 0.02 -0.02 0.53 -0.36 -2.21 0.00 0.00 174.62 172.57 2ctt s PHE 12 N -0.47 3.47 0.55 9.09 0.40 -1.26 -5.11 117.98 124.65 2ctt s PHE 12 Ca -0.06 0.62 0.09 0.00 -0.60 0.00 0.00 56.93 56.98 2ctt s PHE 12 Cb -0.03 -2.08 0.07 0.00 0.51 0.00 0.00 43.02 41.49 2ctt s PHE 12 CO 0.05 0.21 0.69 -0.80 0.70 0.00 0.00 175.22 176.08 2ctt s ASN 13 N -3.07 5.07 0.28 1.36 -0.87 -1.26 -5.15 114.94 111.31 2ctt s ASN 13 Ca 0.43 -0.87 0.03 0.00 -1.57 0.00 0.00 52.86 50.88 2ctt s ASN 13 Cb -0.11 0.20 -0.06 0.00 -0.02 0.00 0.00 41.25 41.26 2ctt s ASN 13 CO 0.29 -1.22 0.05 0.00 -2.57 0.00 0.00 177.10 173.64 2ctt s GLN 14 N -4.55 1.52 0.04 -0.60 -2.07 -1.26 -5.17 119.66 107.57 2ctt s GLN 14 Ca 0.56 -1.82 0.04 0.00 -1.82 0.00 0.00 55.36 52.33 2ctt s GLN 14 Cb -0.05 -0.69 -0.02 0.00 -1.09 0.00 0.00 33.01 31.16 2ctt s GLN 14 CO 0.35 -0.18 -0.13 0.00 -1.32 0.00 0.00 175.29 174.02 2ctt s ALA 15 N -3.41 1.04 -0.08 2.60 0.00 -1.26 -5.07 121.76 115.58 2ctt s ALA 15 Ca 0.34 -0.81 -0.11 0.00 0.00 0.00 0.00 51.96 51.39 2ctt s ALA 15 Cb 0.08 -0.13 -0.04 0.00 0.00 0.00 0.00 23.12 23.02 2ctt s ALA 15 CO 0.13 0.17 -0.22 0.00 0.00 0.00 0.00 175.76 175.85 2ctt n ALA 16 N 1.81 1.70 -3.73 0.00 0.00 -1.26 -4.97 120.51 114.06 2ctt n ALA 16 Ca -0.19 -0.52 -0.31 0.00 0.00 0.00 0.00 53.44 52.43 2ctt n ALA 16 Cb 0.55 0.12 -0.06 0.00 0.00 0.00 0.00 19.45 20.06 2ctt n ALA 16 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 2ctt n LYS 17 N -4.08 -0.80 -3.26 0.00 2.85 -1.26 -4.80 118.16 106.80 2ctt n LYS 17 Ca -0.10 0.10 -0.30 0.00 -1.05 0.00 0.00 58.31 56.96 2ctt n LYS 17 Cb 0.35 -3.37 -0.06 0.00 -0.65 0.00 0.00 35.03 31.30 2ctt n LYS 17 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2ctt n GLY 18 N -1.02 5.04 3.84 2.58 0.00 -1.26 -5.05 105.19 109.32 2ctt n GLY 18 Ca 0.06 -2.76 -0.37 0.00 0.00 0.00 0.00 46.02 42.95 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 -2.89 5.47 -0.22 1.61 0.11 -1.26 -5.09 120.40 118.13 2ctt s VAL 19 Ca 0.40 0.23 -0.17 0.00 -2.93 0.00 0.00 61.98 59.51 2ctt s VAL 19 Cb 0.16 -3.43 0.06 0.00 -1.53 0.00 0.00 36.38 31.64 2ctt s VAL 19 CO -0.02 0.57 0.56 0.21 -3.33 0.00 0.00 175.10 173.10 2ctt s ASN 20 N -0.66 -0.65 0.42 3.54 2.47 -1.26 -5.18 114.94 113.63 2ctt s ASN 20 Ca 0.13 1.17 0.04 0.00 0.42 0.00 0.00 52.86 54.62 2ctt s ASN 20 Cb -0.12 1.13 -0.02 0.00 -1.45 0.00 0.00 41.25 40.79 2ctt s ASN 20 CO 0.03 -0.21 0.12 -0.54 -3.72 0.00 0.00 177.10 172.78 2ctt s LYS 21 N 0.80 1.98 -0.23 0.43 1.02 -1.26 -5.16 119.74 117.32 2ctt s LYS 21 Ca -0.04 -2.22 -0.07 0.00 0.02 0.00 0.00 55.97 53.66 2ctt s LYS 21 Cb -0.05 -0.70 0.11 0.00 -0.52 0.00 0.00 37.83 36.66 2ctt s LYS 21 CO -0.06 -0.48 0.49 -1.21 -0.92 0.00 0.00 175.35 173.16 2ctt s GLU 22 N -3.71 0.41 0.21 1.68 0.41 -1.26 -5.17 118.70 111.27 2ctt s GLU 22 Ca 0.21 1.11 0.10 0.00 -0.41 0.00 0.00 54.97 55.98 2ctt s GLU 22 Cb 0.02 0.43 -0.05 0.00 -1.78 0.00 0.00 34.13 32.75 2ctt s GLU 22 CO 0.13 -0.29 -0.19 -0.06 -0.49 0.00 0.00 175.26 174.36 2ctt s PHE 23 N 2.70 2.04 -1.00 1.61 0.40 -1.26 -5.04 117.98 117.43 2ctt s PHE 23 Ca -0.01 -0.43 -0.26 0.00 -0.60 0.00 0.00 56.93 55.64 2ctt s PHE 23 Cb -0.12 -0.96 -0.18 0.00 0.51 0.00 0.00 43.02 42.27 2ctt s PHE 23 CO -0.15 0.48 2.18 0.99 0.70 0.00 0.00 175.22 179.42 2ctt s THR 24 N -2.28 3.10 0.00 0.64 2.01 -1.26 -4.86 115.64 112.99 2ctt s THR 24 Ca 0.22 -0.14 0.03 0.00 0.31 0.00 0.00 61.69 62.12 2ctt s THR 24 Cb -0.05 -3.77 -0.01 0.00 0.01 0.00 0.00 72.50 68.68 2ctt s THR 24 CO 0.10 -0.19 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.04 2ctt s VAL 25 N 15.45 0.87 -0.75 3.82 1.01 -1.26 -5.06 120.40 134.48 2ctt s VAL 25 Ca 0.83 -0.59 -0.35 0.00 0.00 0.00 0.00 61.98 61.87 2ctt s VAL 25 Cb -0.07 -0.75 -0.19 0.00 0.00 0.00 0.00 36.38 35.37 2ctt s VAL 25 CO 0.14 0.16 2.46 0.59 0.00 0.00 0.00 175.10 178.44 2ctt n ASN 26 N 2.57 0.74 -4.60 3.32 3.02 -1.26 -4.83 115.26 114.23 2ctt n ASN 26 Ca -0.15 0.31 -0.43 0.00 -0.03 0.00 0.00 54.58 54.28 2ctt n ASN 26 Cb 0.56 -0.99 -0.03 0.00 -0.61 0.00 0.00 39.78 38.71 2ctt n ASN 26 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2ctt s ILE 27 N 8.14 4.32 -0.19 2.41 1.01 -1.26 -4.99 121.20 130.64 2ctt s ILE 27 Ca 1.26 1.15 -0.04 0.00 0.00 0.00 0.00 60.65 63.02 2ctt s ILE 27 Cb -1.22 -4.53 0.06 0.00 0.01 0.00 0.00 42.46 36.78 2ctt s ILE 27 CO 0.53 -0.89 0.06 -0.04 0.00 0.00 0.00 174.94 174.59 2ctt s MET 28 N 4.16 0.42 0.46 2.79 -1.94 -1.26 -4.50 119.30 119.42 2ctt s MET 28 Ca 0.44 -0.31 0.01 0.00 -1.71 0.00 0.00 55.69 54.12 2ctt s MET 28 Cb -0.09 -1.98 0.01 0.00 2.01 0.00 0.00 34.83 34.79 2ctt s MET 28 CO 0.28 -0.67 0.10 -3.47 -0.01 0.00 0.00 175.02 171.25 2ctt n ASP 29 N 5.14 3.06 -4.73 3.03 2.03 -0.76 -4.95 116.55 119.37 2ctt n ASP 29 Ca -0.08 -2.89 -0.41 0.00 0.52 0.00 0.00 54.79 51.93 2ctt n ASP 29 Cb 0.48 0.22 -0.04 0.00 -0.72 0.00 0.00 41.12 41.06 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 -2.56 4.42 0.46 5.18 2.01 -1.26 -0.31 115.64 123.57 2ctt s THR 30 Ca 0.07 1.95 -0.22 0.00 0.31 0.00 0.00 61.69 63.80 2ctt s THR 30 Cb -0.01 -4.24 -0.11 0.00 0.01 0.00 0.00 72.50 68.15 2ctt s THR 30 CO 0.05 0.27 0.72 0.00 -0.69 0.00 0.00 174.62 174.97 2ctt n GLU 32 N 0.22 0.96 0.01 0.00 1.02 -1.26 -2.56 120.64 119.03 2ctt n GLU 32 Ca 0.11 0.01 -0.12 0.00 -0.02 0.00 0.00 57.16 57.14 2ctt n GLU 32 Cb 0.41 -1.47 -0.08 0.00 -0.02 0.00 0.00 31.44 30.28 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 0.03 -0.00 3.49 2.43 -1.98 -3.22 114.38 115.12 2ctt h ARG 33 Ca -0.50 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.66 2ctt h ARG 33 Cb 2.09 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.63 2ctt h ARG 33 CO 0.01 0.23 -0.77 0.00 -1.51 0.00 0.00 179.97 177.93 2ctt n ASN 35 N -1.02 -5.27 -1.33 0.00 4.13 -1.06 -2.17 115.26 108.54 2ctt n ASN 35 Ca 0.05 -0.49 -0.12 0.00 1.68 0.00 0.00 54.58 55.70 2ctt n ASN 35 Cb 0.35 -4.52 -0.01 0.00 -1.54 0.00 0.00 39.78 34.05 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 -1.72 0.10 0.13 7.41 0.00 -1.10 -4.88 105.19 105.13 2ctt n GLY 36 Ca -0.03 -0.38 -0.28 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.26 0.59 0.00 1.61 4.76 -0.92 -4.76 118.16 117.18 2ctt n LYS 37 Ca -0.14 0.30 0.00 0.00 -2.87 0.00 0.00 58.31 55.60 2ctt n LYS 37 Cb 0.58 -1.53 0.00 0.00 -1.84 0.00 0.00 35.03 32.24 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 1.33 1.54 3.26 0.72 0.00 -1.26 -4.86 105.19 105.93 2ctt n GLY 38 Ca -0.51 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.39 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 -0.15 0.32 1.61 4.22 -1.26 -2.92 114.94 114.76 2ctt s ASN 39 Ca 0.00 -0.17 -0.29 0.00 -2.14 0.00 0.00 52.86 50.26 2ctt s ASN 39 Cb 0.00 0.37 -0.11 0.00 1.28 0.00 0.00 41.25 42.79 2ctt s ASN 39 CO 0.00 -0.63 1.44 -1.61 -2.04 0.00 0.00 177.10 174.26 2ctt s GLU 40 N -2.58 4.22 0.00 3.55 2.02 -1.07 -4.48 118.70 120.35 2ctt s GLU 40 Ca -0.05 2.40 0.12 0.00 0.02 0.00 0.00 54.97 57.47 2ctt s GLU 40 Cb -0.01 -3.04 0.74 0.00 0.10 0.00 0.00 34.13 31.92 2ctt s GLU 40 CO -0.03 -0.42 1.17 -0.35 0.02 0.00 0.00 175.26 175.65 2ctt n PRO 41 N 1.26 0.48 -1.53 0.39 -0.04 -1.26 -2.60 135.00 131.71 2ctt n PRO 41 Ca 0.03 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.51 2ctt n PRO 41 Cb 0.40 -1.40 0.07 0.00 -0.04 0.00 0.00 33.50 32.52 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 -0.03 2.29 3.43 0.55 0.00 -1.26 -5.09 105.19 105.09 2ctt n GLY 42 Ca 0.09 -1.08 -0.21 0.00 0.00 0.00 0.00 46.02 44.83 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 -1.49 1.20 0.67 2.61 -4.23 -1.07 -5.17 115.64 108.17 2ctt s THR 43 Ca 0.35 -2.01 0.03 0.00 -1.18 0.00 0.00 61.69 58.88 2ctt s THR 43 Cb 0.38 -2.72 0.12 0.00 1.34 0.00 0.00 72.50 71.61 2ctt s THR 43 CO -0.12 -0.06 0.93 -1.59 -0.54 0.00 0.00 174.62 173.24 2ctt s LYS 44 N -3.88 1.87 0.01 3.99 -2.85 -1.26 -4.94 119.74 112.68 2ctt s LYS 44 Ca 0.35 -1.36 -0.09 0.00 -1.00 0.00 0.00 55.97 53.87 2ctt s LYS 44 Cb 0.08 -2.45 0.00 0.00 -2.06 0.00 0.00 37.83 33.40 2ctt s LYS 44 CO 0.15 -1.26 0.17 0.08 0.10 0.00 0.00 175.35 174.58 2ctt s VAL 45 N -2.97 0.09 -0.12 1.79 1.01 -1.26 -4.14 120.40 114.79 2ctt s VAL 45 Ca 0.65 -0.73 -0.02 0.00 0.00 0.00 0.00 61.98 61.88 2ctt s VAL 45 Cb -0.05 -0.58 -0.03 0.00 0.00 0.00 0.00 36.38 35.72 2ctt s VAL 45 CO 0.43 -0.40 -0.06 -1.10 0.00 0.00 0.00 175.10 173.96 2ctt s GLN 46 N -1.70 3.31 -0.21 2.72 -0.21 -0.84 -4.97 119.66 117.75 2ctt s GLN 46 Ca -0.12 -0.55 -0.29 0.00 0.02 0.00 0.00 55.36 54.41 2ctt s GLN 46 Cb -0.06 -2.76 -0.02 0.00 1.00 0.00 0.00 33.01 31.17 2ctt s GLN 46 CO 0.00 0.38 1.54 -1.58 -2.12 0.00 0.00 175.29 173.52 2ctt s HIS 47 N -0.05 2.25 0.17 0.91 5.65 -1.26 -0.26 115.29 122.70 2ctt s HIS 47 Ca 0.00 0.61 -0.30 0.00 0.25 0.00 0.00 55.06 55.62 2ctt s HIS 47 Cb -0.13 -3.92 -0.08 0.00 -1.18 0.00 0.00 32.58 27.26 2ctt s HIS 47 CO 0.03 -2.71 1.24 0.00 -0.65 0.00 0.00 174.74 172.65 2ctt n HIS 49 N 2.79 1.11 -0.22 0.00 -0.00 -1.26 -2.28 115.22 115.36 2ctt n HIS 49 Ca 0.06 0.26 -0.06 0.00 -0.00 0.00 0.00 57.72 57.98 2ctt n HIS 49 Cb 0.44 -1.14 -0.05 0.00 -0.00 0.00 0.00 29.99 29.24 2ctt n HIS 49 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 2ctt n TYR 50 N -3.58 -0.23 -0.04 1.57 4.02 -1.26 -2.37 117.16 115.26 2ctt n TYR 50 Ca -0.34 0.65 -0.16 0.00 -0.01 0.00 0.00 57.90 58.04 2ctt n TYR 50 Cb 1.00 -0.50 -0.14 0.00 -0.02 0.00 0.00 39.34 39.68 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 0.61 0.01 0.00 0.00 -0.97 -4.12 105.19 102.64 2ctt n GLY 52 Ca -0.32 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.09 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 -2.64 1.88 0.00 -0.02 0.00 -1.21 -4.97 105.19 98.24 2ctt n GLY 53 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 0.01 3.90 -0.27 1.61 2.88 -1.26 -4.83 113.62 115.67 2ctt n SER 54 Ca 0.00 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.53 2ctt n SER 54 Cb 0.00 0.70 0.00 0.00 -0.75 0.00 0.00 64.21 64.16 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 2.06 0.47 2.83 0.46 0.00 -1.26 -4.89 105.19 104.86 2ctt n GLY 55 Ca 0.00 -0.79 -0.14 0.00 0.00 0.00 0.00 46.02 45.09 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 -4.33 0.05 0.12 1.61 -2.45 -1.26 -3.77 119.30 109.27 2ctt s MET 56 Ca 0.01 0.07 0.07 0.00 -1.25 0.00 0.00 55.69 54.59 2ctt s MET 56 Cb -0.00 -0.19 -0.04 0.00 1.25 0.00 0.00 34.83 35.85 2ctt s MET 56 CO 0.01 -0.08 -0.10 -2.00 1.05 0.00 0.00 175.02 173.90 2ctt s GLU 57 N 0.55 2.09 -0.14 4.11 2.12 -0.35 -3.72 118.70 123.37 2ctt s GLU 57 Ca -0.05 -1.07 0.01 0.00 0.36 0.00 0.00 54.97 54.22 2ctt s GLU 57 Cb -0.07 -2.27 -0.01 0.00 0.26 0.00 0.00 34.13 32.04 2ctt s GLU 57 CO -0.01 0.50 -0.16 0.99 -0.54 0.00 0.00 175.26 176.04 2ctt s THR 58 N -1.27 2.72 -0.50 -1.70 2.01 -1.26 -2.21 115.64 113.42 2ctt s THR 58 Ca 0.22 -0.77 -0.13 0.00 0.31 0.00 0.00 61.69 61.32 2ctt s THR 58 Cb -0.11 -2.13 0.11 0.00 0.01 0.00 0.00 72.50 70.38 2ctt s THR 58 CO 0.14 0.52 0.42 -0.63 -0.69 0.00 0.00 174.62 174.38 2ctt s ILE 59 N 0.60 4.85 -0.57 1.82 1.09 -0.58 -4.98 121.20 123.44 2ctt s ILE 59 Ca -0.09 -1.51 -0.24 0.00 -1.10 0.00 0.00 60.65 57.71 2ctt s ILE 59 Cb -0.16 -4.08 0.04 0.00 -1.06 0.00 0.00 42.46 37.20 2ctt s ILE 59 CO 0.03 -0.77 0.97 0.20 -0.10 0.00 0.00 174.94 175.27 2ctt s ASN 60 N 3.06 6.33 -0.19 3.58 -0.87 -1.26 -0.50 114.94 125.09 2ctt s ASN 60 Ca 0.04 -0.38 -0.02 0.00 -1.57 0.00 0.00 52.86 50.92 2ctt s ASN 60 Cb -0.27 -2.44 0.06 0.00 -0.02 0.00 0.00 41.25 38.57 2ctt s ASN 60 CO 0.02 -1.27 0.03 0.28 -2.57 0.00 0.00 177.10 173.59 2ctt s THR 61 N 4.06 0.60 0.00 1.60 -1.32 -0.94 -5.03 115.64 114.60 2ctt s THR 61 Ca 0.31 -0.56 0.00 0.00 -1.21 0.00 0.00 61.69 60.22 2ctt s THR 61 Cb -0.12 -1.06 0.00 0.00 -1.51 0.00 0.00 72.50 69.81 2ctt s THR 61 CO 0.19 -0.16 0.00 0.61 -2.21 0.00 0.00 174.62 173.04 2ctt n GLY 62 N 5.03 0.50 0.00 6.08 0.00 -1.26 -2.86 105.19 112.68 2ctt n GLY 62 Ca -0.09 -0.82 0.07 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 0.21 -4.59 1.61 -0.04 -1.26 -4.75 135.00 126.18 2ctt n PRO 63 Ca 0.00 0.15 -0.27 0.00 -0.04 0.00 0.00 63.50 63.34 2ctt n PRO 63 Cb 0.00 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 31.85 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 -2.58 2.44 -0.08 0.54 -0.12 -1.13 -5.16 117.98 111.88 2ctt s PHE 64 Ca 0.14 -0.68 -0.06 0.00 -0.05 0.00 0.00 56.93 56.27 2ctt s PHE 64 Cb 0.10 -1.67 0.03 0.00 -0.63 0.00 0.00 43.02 40.85 2ctt s PHE 64 CO 0.23 0.41 0.21 0.54 -0.05 0.00 0.00 175.22 176.56 2ctt s VAL 65 N -2.77 -0.02 0.53 -2.49 0.11 -1.26 -2.22 120.40 112.28 2ctt s VAL 65 Ca 0.35 0.06 0.07 0.00 -2.93 0.00 0.00 61.98 59.53 2ctt s VAL 65 Cb 0.09 -0.31 0.06 0.00 -1.53 0.00 0.00 36.38 34.68 2ctt s VAL 65 CO 0.17 0.02 0.73 -0.04 -3.33 0.00 0.00 175.10 172.65 2ctt s MET 66 N 0.52 2.46 -0.09 1.54 -1.94 0.34 -4.92 119.30 117.22 2ctt s MET 66 Ca -0.03 -1.37 -0.03 0.00 -1.71 0.00 0.00 55.69 52.55 2ctt s MET 66 Cb -0.05 -2.65 0.04 0.00 2.01 0.00 0.00 34.83 34.19 2ctt s MET 66 CO -0.03 -0.68 0.09 1.03 -0.01 0.00 0.00 175.02 175.42 2ctt s ARG 67 N -4.60 -0.02 0.01 2.03 1.81 -1.26 -1.52 118.95 115.40 2ctt s ARG 67 Ca 0.59 0.28 -0.01 0.00 -1.72 0.00 0.00 55.73 54.87 2ctt s ARG 67 Cb -0.08 -0.85 -0.01 0.00 -0.45 0.00 0.00 34.95 33.55 2ctt s ARG 67 CO 0.37 -0.43 0.00 0.45 -0.68 0.00 0.00 175.30 175.02 2ctt s SER 68 N 2.19 0.18 0.22 0.23 0.15 -0.94 -5.02 113.70 110.71 2ctt s SER 68 Ca 0.04 -0.40 -0.30 0.00 0.70 0.00 0.00 55.95 55.99 2ctt s SER 68 Cb -0.13 0.11 -0.16 0.00 -1.71 0.00 0.00 66.02 64.14 2ctt s SER 68 CO -0.05 -0.29 0.88 0.41 1.20 0.00 0.00 173.24 175.39 2ctt n THR 69 N 1.70 1.64 -0.93 6.45 -1.04 -1.26 -1.21 114.28 119.63 2ctt n THR 69 Ca -0.23 -0.41 -0.34 0.00 -2.04 0.00 0.00 64.05 61.03 2ctt n THR 69 Cb 0.56 -0.57 0.09 0.00 -1.82 0.00 0.00 70.33 68.59 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 -0.75 2.13 -0.04 0.00 1.85 -1.26 -3.83 116.66 114.77 2ctt n ARG 71 Ca 0.06 0.01 -0.11 0.00 -1.00 0.00 0.00 57.85 56.81 2ctt n ARG 71 Cb 0.53 -1.05 -0.05 0.00 -1.05 0.00 0.00 32.46 30.84 2ctt n ARG 71 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2ctt h ARG 72 N 0.00 0.22 0.06 2.89 2.47 -1.99 -3.31 114.38 114.72 2ctt h ARG 72 Ca -0.06 -0.03 -0.37 0.00 -1.26 0.00 0.00 59.98 58.26 2ctt h ARG 72 Cb 1.11 -0.04 -0.04 0.00 -1.65 0.00 0.00 29.97 29.35 2ctt h ARG 72 CO -0.00 0.27 -2.19 0.00 0.56 0.00 0.00 179.97 178.61 2ctt n GLY 74 N 2.04 1.64 1.62 0.00 0.00 -1.25 -4.44 105.19 104.80 2ctt n GLY 74 Ca -0.36 -0.08 -0.00 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.25 0.82 0.00 -0.02 0.00 -1.25 -4.90 105.19 98.58 2ctt n GLY 75 Ca 0.00 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.30 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 -0.64 0.08 0.00 1.61 0.63 -1.26 -4.75 116.66 112.33 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 0.50 -0.98 0.00 0.00 0.45 0.00 0.00 32.46 32.43 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 3.41 1.82 3.46 5.14 0.00 -1.26 -4.67 105.19 113.10 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 -1.97 -0.21 -0.26 1.61 0.01 -1.26 -2.78 113.70 108.83 2ctt s SER 78 Ca 0.00 -0.51 -0.15 0.00 1.31 0.00 0.00 55.95 56.60 2ctt s SER 78 Cb 0.00 0.54 -0.04 0.00 0.21 0.00 0.00 66.02 66.73 2ctt s SER 78 CO 0.00 -1.00 0.37 -0.63 0.41 0.00 0.00 173.24 172.39 2ctt s ILE 79 N -3.88 5.18 -0.77 1.44 1.09 0.64 -4.59 121.20 120.31 2ctt s ILE 79 Ca 0.09 0.58 -0.24 0.00 -1.10 0.00 0.00 60.65 59.98 2ctt s ILE 79 Cb 0.00 -3.70 0.05 0.00 -1.06 0.00 0.00 42.46 37.76 2ctt s ILE 79 CO -0.04 0.17 1.19 -0.63 -0.10 0.00 0.00 174.94 175.54 2ctt s ILE 80 N 1.97 4.02 0.52 2.92 1.01 -1.26 -1.99 121.20 128.38 2ctt s ILE 80 Ca 0.15 -0.16 0.30 0.00 0.00 0.00 0.00 60.65 60.94 2ctt s ILE 80 Cb -0.16 -4.86 0.47 0.00 0.01 0.00 0.00 42.46 37.93 2ctt s ILE 80 CO 0.10 -1.72 1.87 0.40 0.00 0.00 0.00 174.94 175.59 2ctt h ILE 81 N 6.11 0.56 -3.06 2.92 5.03 -1.96 -3.34 117.51 123.77 2ctt h ILE 81 Ca -0.18 -0.02 -0.51 0.00 -0.12 0.00 0.00 64.86 64.03 2ctt h ILE 81 Cb 1.05 0.48 -0.40 0.00 -3.03 0.00 0.00 36.82 34.92 2ctt h ILE 81 CO 1.26 0.01 -0.76 -0.55 -0.68 0.00 0.00 178.15 177.43 2ctt s SER 82 N -5.58 3.00 0.17 1.72 0.15 -1.26 -5.11 113.70 106.79 2ctt s SER 82 Ca -0.06 -0.96 -0.30 0.00 0.70 0.00 0.00 55.95 55.33 2ctt s SER 82 Cb 0.22 -0.44 -0.08 0.00 -1.71 0.00 0.00 66.02 64.00 2ctt s SER 82 CO 0.78 -0.37 1.32 -2.16 1.20 0.00 0.00 173.24 174.01 2ctt s PRO 83 N 1.99 4.38 0.41 5.44 0.04 -1.26 -2.60 135.00 143.40 2ctt s PRO 83 Ca 0.04 2.04 -0.14 0.00 0.04 0.00 0.00 61.00 62.98 2ctt s PRO 83 Cb -0.16 -3.21 -0.12 0.00 0.04 0.00 0.00 34.50 31.05 2ctt s PRO 83 CO -0.18 -0.29 -0.13 0.00 0.04 0.00 0.00 177.00 176.44 2ctt n VAL 85 N -1.21 0.36 -0.07 0.00 0.24 -1.26 -3.16 118.33 113.22 2ctt n VAL 85 Ca 0.06 -0.68 -0.11 0.00 -2.04 0.00 0.00 64.34 61.56 2ctt n VAL 85 Cb 0.37 1.08 -0.04 0.00 -1.47 0.00 0.00 33.84 33.77 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 1.14 1.39 0.90 3.34 0.31 -1.26 -4.71 118.33 119.43 2ctt n VAL 86 Ca 0.14 0.07 0.10 0.00 -0.01 0.00 0.00 64.34 64.64 2ctt n VAL 86 Cb 0.50 -2.09 -0.12 0.00 -0.91 0.00 0.00 33.84 31.22 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 -1.58 -5.19 -3.50 0.00 5.12 -1.19 -3.16 116.66 107.17 2ctt n ARG 88 Ca 0.03 0.65 -0.21 0.00 -1.93 0.00 0.00 57.85 56.39 2ctt n ARG 88 Cb 0.35 -5.08 0.08 0.00 -1.16 0.00 0.00 32.46 26.66 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 -1.16 -0.44 0.08 -0.13 0.00 -1.26 -4.84 105.19 97.44 2ctt n GLY 89 Ca -0.20 0.17 -0.09 0.00 0.00 0.00 0.00 46.02 45.91 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 -4.59 1.63 0.00 4.61 0.00 -1.19 -4.92 120.51 116.04 2ctt n ALA 90 Ca -0.10 -0.89 0.00 0.00 0.00 0.00 0.00 53.44 52.45 2ctt n ALA 90 Cb 0.60 -0.01 0.00 0.00 0.00 0.00 0.00 19.45 20.04 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 3.27 3.17 0.00 0.00 -1.26 -5.03 105.19 107.64 2ctt n GLY 91 Ca -0.27 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.86 0.83 0.28 1.61 -0.21 -1.26 -3.03 119.66 117.02 2ctt s GLN 92 Ca 0.00 -1.29 -0.09 0.00 0.02 0.00 0.00 55.36 53.99 2ctt s GLN 92 Cb 0.00 -0.25 0.00 0.00 1.00 0.00 0.00 33.01 33.76 2ctt s GLN 92 CO 0.00 -0.00 0.48 0.00 -2.12 0.00 0.00 175.29 173.65 2ctt s ALA 93 N -3.39 0.08 -0.50 6.09 0.00 0.58 -4.57 121.76 120.04 2ctt s ALA 93 Ca 0.10 -1.09 -0.25 0.00 0.00 0.00 0.00 51.96 50.72 2ctt s ALA 93 Cb 0.04 1.08 0.03 0.00 0.00 0.00 0.00 23.12 24.27 2ctt s ALA 93 CO -0.04 -0.83 0.92 -1.59 0.00 0.00 0.00 175.76 174.22 2ctt s LYS 94 N -3.63 3.43 -1.05 0.00 -2.85 -1.26 -1.82 119.74 112.56 2ctt s LYS 94 Ca 0.25 -0.06 -0.17 0.00 -1.00 0.00 0.00 55.97 55.00 2ctt s LYS 94 Cb -0.01 -3.98 0.15 0.00 -2.06 0.00 0.00 37.83 31.93 2ctt s LYS 94 CO 0.13 -1.33 1.26 -0.65 0.10 0.00 0.00 175.35 174.86 2ctt s GLN 95 N 3.79 3.81 -0.41 1.78 1.11 -1.26 -4.30 119.66 124.18 2ctt s GLN 95 Ca 0.33 -2.12 -0.01 0.00 0.01 0.00 0.00 55.36 53.58 2ctt s GLN 95 Cb -0.11 -4.98 -0.01 0.00 -1.01 0.00 0.00 33.01 26.90 2ctt s GLN 95 CO 0.23 -1.77 0.35 1.17 0.01 0.00 0.00 175.29 175.28 2ctt n LYS 96 N 6.15 -1.96 -3.99 2.91 4.81 -1.26 -4.99 118.16 119.83 2ctt n LYS 96 Ca 0.29 0.30 -0.32 0.00 -0.87 0.00 0.00 58.31 57.72 2ctt n LYS 96 Cb 0.46 -3.53 -0.14 0.00 0.02 0.00 0.00 35.03 31.84 2ctt n LYS 96 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 2ctt s LYS 97 N -4.23 1.79 -0.38 1.64 2.36 -1.26 -4.97 119.74 114.69 2ctt s LYS 97 Ca 0.04 -1.71 0.08 0.00 -2.55 0.00 0.00 55.97 51.83 2ctt s LYS 97 Cb -0.01 -3.19 0.44 0.00 -1.05 0.00 0.00 37.83 34.03 2ctt s LYS 97 CO 0.26 -0.85 1.11 2.89 1.55 0.00 0.00 175.35 180.31 2ctt n ARG 98 N 4.36 3.16 -4.41 4.03 1.85 -1.26 -5.04 116.66 119.35 2ctt n ARG 98 Ca -0.02 -4.25 -0.24 0.00 -1.00 0.00 0.00 57.85 52.34 2ctt n ARG 98 Cb 0.42 -2.12 -0.09 0.00 -1.05 0.00 0.00 32.46 29.62 2ctt n ARG 98 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 2ctt s SER 99 N -3.52 3.97 0.00 2.89 0.15 -1.26 -5.10 113.70 110.83 2ctt s SER 99 Ca 0.46 -0.96 0.00 0.00 0.70 0.00 0.00 55.95 56.14 2ctt s SER 99 Cb 0.41 -0.48 0.00 0.00 -1.71 0.00 0.00 66.02 64.23 2ctt s SER 99 CO -0.10 -0.08 0.00 0.61 1.20 0.00 0.00 173.24 174.87 2ctt n GLY 100 N -0.79 2.46 3.77 9.45 0.00 -1.26 -5.07 105.19 113.75 2ctt n GLY 100 Ca -0.05 -2.09 -0.34 0.00 0.00 0.00 0.00 46.02 43.54 2ctt n GLY 100 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2ctt s PRO 101 N -2.19 3.14 0.29 1.61 0.04 -1.26 -5.03 135.00 131.60 2ctt s PRO 101 Ca 0.00 1.52 -0.16 0.00 0.04 0.00 0.00 61.00 62.40 2ctt s PRO 101 Cb 0.00 -1.98 -0.09 0.00 0.04 0.00 0.00 34.50 32.47 2ctt s PRO 101 CO 0.00 -1.01 0.72 -1.12 0.04 0.00 0.00 177.00 175.64 2ctt s SER 102 N -2.10 6.85 1.12 6.66 0.01 -1.26 -5.06 113.70 119.92 2ctt s SER 102 Ca 0.70 1.31 -0.12 0.00 1.31 0.00 0.00 55.95 59.15 2ctt s SER 102 Cb -0.23 -2.38 0.26 0.00 0.21 0.00 0.00 66.02 63.88 2ctt s SER 102 CO 0.33 -0.13 1.05 -0.44 0.41 0.00 0.00 173.24 174.45 2ctt s SER 103 N -2.09 1.42 0.00 2.44 0.01 -1.26 -5.33 113.70 108.89 2ctt s SER 103 Ca 0.51 1.50 0.00 0.00 1.31 0.00 0.00 55.95 59.27 2ctt s SER 103 Cb -0.12 -2.24 0.00 0.00 0.21 0.00 0.00 66.02 63.87 2ctt s SER 103 CO 0.18 -3.92 0.36 0.61 0.41 0.00 0.00 173.24 170.88