#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 -1.06 -0.04 1.61 0.15 -1.26 -5.06 113.70 108.04 2ctt s SER 2 Ca 0.00 1.54 -0.24 0.00 0.70 0.00 0.00 55.95 57.94 2ctt s SER 2 Cb 0.00 2.06 -0.18 0.00 -1.71 0.00 0.00 66.02 66.19 2ctt s SER 2 CO 0.00 -0.22 1.09 -1.28 1.20 0.00 0.00 173.24 174.02 2ctt h SER 3 N 7.79 -0.12 -5.00 5.45 0.87 -2.16 -3.50 113.55 116.88 2ctt h SER 3 Ca -0.21 -0.42 0.00 0.00 -1.23 0.00 0.00 61.79 59.94 2ctt h SER 3 Cb 1.13 0.03 0.00 0.00 -0.44 0.00 0.00 62.40 63.12 2ctt h SER 3 CO 0.12 0.40 0.00 0.61 -0.53 0.00 0.00 176.83 177.43 2ctt n GLY 4 N 0.36 -3.23 3.76 5.77 0.00 -1.26 -5.10 105.19 105.49 2ctt n GLY 4 Ca -0.08 -2.11 -0.08 0.00 0.00 0.00 0.00 46.02 43.75 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 -1.47 -0.13 0.35 1.61 0.01 -1.26 -5.19 113.70 107.62 2ctt s SER 5 Ca 0.00 -0.81 -0.15 0.00 1.31 0.00 0.00 55.95 56.30 2ctt s SER 5 Cb 0.00 0.70 0.04 0.00 0.21 0.00 0.00 66.02 66.97 2ctt s SER 5 CO 0.00 -1.32 0.73 -0.94 0.41 0.00 0.00 173.24 172.11 2ctt s SER 6 N -2.98 0.04 0.05 2.44 1.04 -1.26 -5.19 113.70 107.84 2ctt s SER 6 Ca 0.16 -1.05 -0.02 0.00 0.48 0.00 0.00 55.95 55.52 2ctt s SER 6 Cb -0.04 0.79 0.01 0.00 0.10 0.00 0.00 66.02 66.88 2ctt s SER 6 CO 0.09 -1.55 0.10 0.61 0.98 0.00 0.00 173.24 173.47 2ctt n GLY 7 N -0.51 2.01 3.23 7.32 0.00 -1.26 -5.19 105.19 110.80 2ctt n GLY 7 Ca -0.06 -1.09 -0.10 0.00 0.00 0.00 0.00 46.02 44.76 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 -2.03 0.84 -0.16 1.61 -1.94 -1.26 -5.16 119.30 111.20 2ctt s MET 8 Ca 0.02 -0.72 -0.06 0.00 -1.71 0.00 0.00 55.69 53.23 2ctt s MET 8 Cb -0.01 0.36 0.08 0.00 2.01 0.00 0.00 34.83 37.27 2ctt s MET 8 CO 0.02 -0.28 0.34 -2.00 -0.01 0.00 0.00 175.02 173.09 2ctt s GLU 9 N -3.21 0.24 -0.15 2.03 2.12 -1.26 -5.04 118.70 113.43 2ctt s GLU 9 Ca -0.00 0.90 -0.05 0.00 0.36 0.00 0.00 54.97 56.17 2ctt s GLU 9 Cb 0.02 0.16 -0.08 0.00 0.26 0.00 0.00 34.13 34.49 2ctt s GLU 9 CO -0.07 -0.27 -0.18 -0.11 -0.54 0.00 0.00 175.26 174.09 2ctt n LEU 10 N 5.36 1.67 -4.18 2.70 7.94 -1.26 -5.02 117.00 124.21 2ctt n LEU 10 Ca -0.07 0.11 -0.29 0.00 -1.11 0.00 0.00 56.01 54.64 2ctt n LEU 10 Cb 0.50 -0.48 -0.07 0.00 0.53 0.00 0.00 43.42 43.90 2ctt n LEU 10 CO 0.01 0.45 -0.39 0.35 -1.11 0.00 0.00 177.39 176.71 2ctt n THR 11 N -3.47 -1.78 -1.20 1.96 -2.24 -1.26 -4.77 114.28 101.52 2ctt n THR 11 Ca -0.29 -0.51 -0.39 0.00 -2.27 0.00 0.00 64.05 60.59 2ctt n THR 11 Cb 0.74 -1.62 -0.01 0.00 -2.10 0.00 0.00 70.33 67.34 2ctt n THR 11 CO 0.00 0.00 0.00 2.22 -0.57 0.00 0.00 175.07 176.72 2ctt n PHE 12 N -4.53 -1.78 -4.07 4.78 1.16 -1.26 -4.98 117.46 106.77 2ctt n PHE 12 Ca -0.32 0.61 -0.10 0.00 -1.87 0.00 0.00 57.45 55.77 2ctt n PHE 12 Cb 0.69 -1.65 -0.08 0.00 -1.61 0.00 0.00 39.48 36.83 2ctt n PHE 12 CO 0.00 0.00 0.00 -0.80 -1.87 0.00 0.00 176.76 174.09 2ctt s ASN 13 N -0.92 0.14 -0.09 5.98 0.01 -1.26 -5.16 114.94 113.65 2ctt s ASN 13 Ca 0.55 -1.08 -0.01 0.00 -0.71 0.00 0.00 52.86 51.61 2ctt s ASN 13 Cb -0.62 0.39 0.03 0.00 0.41 0.00 0.00 41.25 41.46 2ctt s ASN 13 CO 0.57 -0.85 -0.01 -1.10 -1.51 0.00 0.00 177.10 174.20 2ctt s GLN 14 N -4.03 0.81 -0.67 -0.60 -0.21 -1.26 -5.08 119.66 108.63 2ctt s GLN 14 Ca 0.23 0.01 -0.33 0.00 0.02 0.00 0.00 55.36 55.30 2ctt s GLN 14 Cb 0.05 -1.15 -0.16 0.00 1.00 0.00 0.00 33.01 32.75 2ctt s GLN 14 CO 0.03 -0.31 2.44 0.00 -2.12 0.00 0.00 175.29 175.34 2ctt n ALA 15 N 5.10 0.57 -3.25 6.09 0.00 -1.26 -4.89 120.51 122.87 2ctt n ALA 15 Ca -0.08 -0.31 -0.36 0.00 0.00 0.00 0.00 53.44 52.69 2ctt n ALA 15 Cb 0.50 -2.51 -0.13 0.00 0.00 0.00 0.00 19.45 17.31 2ctt n ALA 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ctt s ALA 16 N 8.90 3.01 -0.15 0.00 0.00 -1.26 -5.08 121.76 127.18 2ctt s ALA 16 Ca 1.19 -1.25 0.01 0.00 0.00 0.00 0.00 51.96 51.91 2ctt s ALA 16 Cb -0.96 -1.98 0.02 0.00 0.00 0.00 0.00 23.12 20.20 2ctt s ALA 16 CO 0.46 -0.62 -0.16 0.15 0.00 0.00 0.00 175.76 175.60 2ctt s LYS 17 N 1.53 2.43 -0.44 0.00 -0.14 -1.26 -5.05 119.74 116.82 2ctt s LYS 17 Ca 0.05 -0.62 0.02 0.00 -1.36 0.00 0.00 55.97 54.06 2ctt s LYS 17 Cb -0.16 -2.16 0.20 0.00 -1.68 0.00 0.00 37.83 34.03 2ctt s LYS 17 CO 0.01 -0.19 0.85 0.20 -0.76 0.00 0.00 175.35 175.47 2ctt s GLY 18 N 1.32 -1.48 -0.07 -3.33 0.00 -1.26 -5.14 107.32 97.37 2ctt s GLY 18 Ca 0.02 0.11 0.00 0.00 0.00 0.00 0.00 44.72 44.85 2ctt s GLY 18 CO -0.09 3.91 -0.04 -1.34 0.00 0.00 0.00 173.10 175.54 2ctt s VAL 19 N 1.13 0.63 -0.07 1.40 -7.23 -1.26 -5.01 120.40 109.98 2ctt s VAL 19 Ca 0.25 -0.11 -0.02 0.00 -1.81 0.00 0.00 61.98 60.29 2ctt s VAL 19 Cb 0.03 -0.68 -0.04 0.00 0.56 0.00 0.00 36.38 36.26 2ctt s VAL 19 CO -0.08 0.27 -0.08 0.59 -0.31 0.00 0.00 175.10 175.49 2ctt n ASN 20 N 4.49 2.02 -3.84 4.85 4.13 -1.26 -5.04 115.26 120.61 2ctt n ASN 20 Ca -0.17 0.03 -0.15 0.00 1.68 0.00 0.00 54.58 55.96 2ctt n ASN 20 Cb 0.51 -0.17 -0.15 0.00 -1.54 0.00 0.00 39.78 38.42 2ctt n ASN 20 CO 0.00 0.00 0.00 -1.59 0.28 0.00 0.00 177.26 175.95 2ctt s LYS 21 N -2.14 0.17 0.09 3.52 0.00 -1.26 -5.05 119.74 115.07 2ctt s LYS 21 Ca -0.10 0.05 0.00 0.00 0.00 0.00 0.00 55.97 55.92 2ctt s LYS 21 Cb 0.03 -0.31 0.00 0.00 0.00 0.00 0.00 37.83 37.56 2ctt s LYS 21 CO 0.15 -0.08 0.00 -1.91 0.00 0.00 0.00 175.35 173.51 2ctt n GLU 22 N 3.75 0.00 -1.41 1.78 2.13 -1.26 -5.11 120.64 120.53 2ctt n GLU 22 Ca -0.22 0.00 -0.29 0.00 0.66 0.00 0.00 57.16 57.31 2ctt n GLU 22 Cb 0.53 -0.10 0.18 0.00 0.27 0.00 0.00 31.44 32.33 2ctt n GLU 22 CO 0.00 0.00 0.00 -0.06 -0.41 0.00 0.00 177.13 176.66 2ctt s PHE 23 N -1.44 1.68 -1.04 4.31 0.40 -1.26 -4.98 117.98 115.64 2ctt s PHE 23 Ca 0.00 0.67 -0.09 0.00 -0.60 0.00 0.00 56.93 56.91 2ctt s PHE 23 Cb 0.00 -3.51 0.26 0.00 0.51 0.00 0.00 43.02 40.28 2ctt s PHE 23 CO 0.00 -2.97 1.02 0.99 0.70 0.00 0.00 175.22 174.96 2ctt s THR 24 N -3.25 5.75 0.00 0.64 2.01 -1.26 -4.62 115.64 114.91 2ctt s THR 24 Ca 0.68 -3.33 0.00 0.00 0.31 0.00 0.00 61.69 59.35 2ctt s THR 24 Cb -0.12 -4.47 0.00 0.00 0.01 0.00 0.00 72.50 67.92 2ctt s THR 24 CO 0.55 -1.15 0.00 1.33 -0.69 0.00 0.00 174.62 174.66 2ctt n VAL 25 N 2.85 0.00 -2.16 3.82 0.24 -1.26 -5.08 118.33 116.74 2ctt n VAL 25 Ca 0.22 0.00 -0.37 0.00 -2.04 0.00 0.00 64.34 62.15 2ctt n VAL 25 Cb 0.40 -0.44 0.00 0.00 -1.47 0.00 0.00 33.84 32.34 2ctt n VAL 25 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 2ctt s ASN 26 N -3.89 5.87 0.35 -1.34 0.01 -1.26 -4.93 114.94 109.74 2ctt s ASN 26 Ca 0.00 2.36 -0.26 0.00 -0.71 0.00 0.00 52.86 54.25 2ctt s ASN 26 Cb 0.00 -2.60 -0.13 0.00 0.41 0.00 0.00 41.25 38.93 2ctt s ASN 26 CO 0.00 -1.13 0.90 -0.38 -1.51 0.00 0.00 177.10 174.98 2ctt n ILE 27 N -0.81 2.08 -3.99 0.60 2.08 -1.26 -4.84 119.36 113.22 2ctt n ILE 27 Ca 0.09 -0.50 -0.28 0.00 0.56 0.00 0.00 62.75 62.62 2ctt n ILE 27 Cb 0.48 -0.91 -0.17 0.00 -0.75 0.00 0.00 39.64 38.30 2ctt n ILE 27 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2ctt s MET 28 N -1.66 1.89 0.00 0.38 0.23 -1.26 -2.47 119.30 116.40 2ctt s MET 28 Ca 0.61 -0.40 0.00 0.00 -1.03 0.00 0.00 55.69 54.87 2ctt s MET 28 Cb -0.65 -1.82 0.00 0.00 -1.53 0.00 0.00 34.83 30.83 2ctt s MET 28 CO 0.58 -0.24 0.00 -3.47 -2.03 0.00 0.00 175.02 169.87 2ctt n ASP 29 N 4.81 1.29 -4.72 -1.18 -0.08 -0.34 -4.80 116.55 111.53 2ctt n ASP 29 Ca -0.15 -0.99 -0.43 0.00 -1.51 0.00 0.00 54.79 51.71 2ctt n ASP 29 Cb 0.50 0.00 -0.02 0.00 2.34 0.00 0.00 41.12 43.94 2ctt n ASP 29 CO 0.00 0.00 0.00 0.41 0.12 0.00 0.00 177.20 177.73 2ctt n THR 30 N -0.35 1.13 -0.80 5.18 -1.04 -1.26 0.31 114.28 117.44 2ctt n THR 30 Ca 0.00 -0.28 -0.33 0.00 -2.04 0.00 0.00 64.05 61.40 2ctt n THR 30 Cb 0.00 -1.77 0.12 0.00 -1.82 0.00 0.00 70.33 66.86 2ctt n THR 30 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2ctt n GLU 32 N -1.40 1.99 0.01 0.00 -0.58 -1.26 -3.42 120.64 115.97 2ctt n GLU 32 Ca 0.06 0.01 -0.13 0.00 -0.42 0.00 0.00 57.16 56.69 2ctt n GLU 32 Cb 0.54 -1.22 -0.09 0.00 -0.57 0.00 0.00 31.44 30.10 2ctt n GLU 32 CO 0.00 0.00 0.00 -0.09 -0.48 0.00 0.00 177.13 176.56 2ctt h ARG 33 N 0.00 0.02 0.00 3.49 2.43 -1.96 -3.24 114.38 115.11 2ctt h ARG 33 Ca -0.24 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.93 2ctt h ARG 33 Cb 1.50 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.05 2ctt h ARG 33 CO -0.00 0.30 -1.02 0.00 -1.51 0.00 0.00 179.97 177.74 2ctt n ASN 35 N -1.57 -5.90 -0.82 0.00 4.13 -1.22 -2.29 115.26 107.59 2ctt n ASN 35 Ca 0.04 -0.47 -0.07 0.00 1.68 0.00 0.00 54.58 55.76 2ctt n ASN 35 Cb 0.35 -4.53 -0.00 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 -1.82 0.09 0.15 7.41 0.00 -1.23 -4.88 105.19 104.90 2ctt n GLY 36 Ca 0.00 -0.59 -0.27 0.00 0.00 0.00 0.00 46.02 45.16 2ctt n GLY 36 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2ctt n LYS 37 N -1.68 0.57 0.00 1.61 4.76 -0.97 -4.87 118.16 117.58 2ctt n LYS 37 Ca -0.08 0.25 0.00 0.00 -2.87 0.00 0.00 58.31 55.61 2ctt n LYS 37 Cb 0.56 -1.47 0.00 0.00 -1.84 0.00 0.00 35.03 32.28 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 1.30 1.83 3.49 0.72 0.00 -1.26 -4.90 105.19 106.37 2ctt n GLY 38 Ca -0.50 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.48 0.27 1.61 4.22 -1.26 -3.75 114.94 113.55 2ctt s ASN 39 Ca 0.00 -0.07 -0.30 0.00 -2.14 0.00 0.00 52.86 50.35 2ctt s ASN 39 Cb 0.00 0.55 -0.11 0.00 1.28 0.00 0.00 41.25 42.98 2ctt s ASN 39 CO 0.00 -0.91 1.50 -1.61 -2.04 0.00 0.00 177.10 174.04 2ctt s GLU 40 N -3.59 4.20 0.00 3.55 0.41 -1.13 -4.26 118.70 117.89 2ctt s GLU 40 Ca 0.03 2.42 0.10 0.00 -0.41 0.00 0.00 54.97 57.11 2ctt s GLU 40 Cb -0.01 -3.07 0.58 0.00 -1.78 0.00 0.00 34.13 29.84 2ctt s GLU 40 CO -0.10 -0.51 1.02 -0.35 -0.49 0.00 0.00 175.26 174.84 2ctt n PRO 41 N 2.23 0.49 -0.22 0.39 -0.04 -1.26 -2.22 135.00 134.37 2ctt n PRO 41 Ca 0.07 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.58 2ctt n PRO 41 Cb 0.39 -1.31 0.07 0.00 -0.04 0.00 0.00 33.50 32.61 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 2.73 3.72 0.55 0.00 -1.26 -5.07 105.19 105.84 2ctt n GLY 42 Ca 0.07 -0.58 -0.28 0.00 0.00 0.00 0.00 46.02 45.23 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 -1.53 1.84 0.55 2.61 -4.23 -0.94 -5.16 115.64 108.77 2ctt s THR 43 Ca 0.16 -1.85 0.09 0.00 -1.18 0.00 0.00 61.69 58.91 2ctt s THR 43 Cb 0.14 -2.69 0.07 0.00 1.34 0.00 0.00 72.50 71.36 2ctt s THR 43 CO 0.02 0.00 0.73 -0.54 -0.54 0.00 0.00 174.62 174.28 2ctt s LYS 44 N -3.87 2.37 -0.04 3.99 1.02 -1.26 -4.96 119.74 116.98 2ctt s LYS 44 Ca 0.29 -1.63 -0.07 0.00 0.02 0.00 0.00 55.97 54.58 2ctt s LYS 44 Cb 0.05 -2.61 0.01 0.00 -0.52 0.00 0.00 37.83 34.76 2ctt s LYS 44 CO 0.16 -0.76 0.17 0.08 -0.92 0.00 0.00 175.35 174.08 2ctt s VAL 45 N -2.64 0.03 0.04 3.17 1.01 -1.26 -4.22 120.40 116.54 2ctt s VAL 45 Ca 0.58 -0.28 0.04 0.00 0.00 0.00 0.00 61.98 62.32 2ctt s VAL 45 Cb -0.06 -0.34 -0.04 0.00 0.00 0.00 0.00 36.38 35.94 2ctt s VAL 45 CO 0.37 -0.16 -0.03 -1.10 0.00 0.00 0.00 175.10 174.18 2ctt s GLN 46 N -0.53 2.57 0.24 2.72 -0.21 -0.97 -4.96 119.66 118.51 2ctt s GLN 46 Ca -0.06 -0.76 -0.30 0.00 0.02 0.00 0.00 55.36 54.26 2ctt s GLN 46 Cb -0.04 -2.54 -0.09 0.00 1.00 0.00 0.00 33.01 31.34 2ctt s GLN 46 CO 0.01 0.58 1.16 -1.58 -2.12 0.00 0.00 175.29 173.33 2ctt s HIS 47 N -1.15 3.47 -0.06 0.91 5.65 -1.26 0.01 115.29 122.87 2ctt s HIS 47 Ca 0.21 1.56 -0.13 0.00 0.25 0.00 0.00 55.06 56.95 2ctt s HIS 47 Cb -0.11 -3.38 -0.05 0.00 -1.18 0.00 0.00 32.58 27.86 2ctt s HIS 47 CO 0.12 -0.92 0.33 0.00 -0.65 0.00 0.00 174.74 173.63 2ctt n HIS 49 N 2.20 0.97 -0.29 0.00 8.25 -1.26 -2.23 115.22 122.85 2ctt n HIS 49 Ca -0.15 0.24 -0.06 0.00 -0.26 0.00 0.00 57.72 57.49 2ctt n HIS 49 Cb 0.53 -1.12 -0.05 0.00 1.12 0.00 0.00 29.99 30.47 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 -3.64 -0.24 -0.11 4.41 4.02 -1.26 -2.44 117.16 117.89 2ctt n TYR 50 Ca -0.35 0.88 -0.18 0.00 -0.01 0.00 0.00 57.90 58.23 2ctt n TYR 50 Cb 0.97 -0.60 -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 2.22 0.77 0.00 0.00 0.00 -0.95 -4.29 105.19 102.94 2ctt n GLY 52 Ca -0.44 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.40 1.81 0.00 -0.02 0.00 -1.23 -4.96 105.19 98.39 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 3.64 0.00 1.61 3.41 -1.26 -4.83 113.62 116.19 2ctt n SER 54 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2ctt n SER 54 Cb 0.00 0.52 0.00 0.00 -0.26 0.00 0.00 64.21 64.47 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 2.11 0.53 2.90 5.00 0.00 -1.26 -4.83 105.19 109.65 2ctt n GLY 55 Ca 0.00 -0.81 -0.13 0.00 0.00 0.00 0.00 46.02 45.08 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 -3.49 0.05 0.17 1.61 -2.45 -1.26 -3.25 119.30 110.69 2ctt s MET 56 Ca 0.00 0.15 0.06 0.00 -1.25 0.00 0.00 55.69 54.65 2ctt s MET 56 Cb 0.00 -0.05 -0.04 0.00 1.25 0.00 0.00 34.83 35.99 2ctt s MET 56 CO 0.00 -0.06 0.09 -2.00 1.05 0.00 0.00 175.02 174.09 2ctt s GLU 57 N 0.40 2.71 -0.12 4.11 2.56 0.13 -3.95 118.70 124.55 2ctt s GLU 57 Ca -0.03 -0.97 0.02 0.00 0.00 0.00 0.00 54.97 53.99 2ctt s GLU 57 Cb -0.04 -2.53 -0.01 0.00 2.00 0.00 0.00 34.13 33.55 2ctt s GLU 57 CO -0.01 0.47 -0.19 0.99 -0.56 0.00 0.00 175.26 175.96 2ctt s THR 58 N -1.76 2.52 -0.54 -1.70 2.01 -1.26 -2.14 115.64 112.76 2ctt s THR 58 Ca 0.30 -0.85 -0.10 0.00 0.31 0.00 0.00 61.69 61.35 2ctt s THR 58 Cb -0.10 -2.01 0.14 0.00 0.01 0.00 0.00 72.50 70.54 2ctt s THR 58 CO 0.22 0.54 0.43 -0.63 -0.69 0.00 0.00 174.62 174.49 2ctt s ILE 59 N 0.38 4.46 -0.76 1.82 1.09 -0.64 -4.98 121.20 122.56 2ctt s ILE 59 Ca -0.15 -1.96 -0.26 0.00 -1.10 0.00 0.00 60.65 57.19 2ctt s ILE 59 Cb -0.17 -3.90 0.04 0.00 -1.06 0.00 0.00 42.46 37.37 2ctt s ILE 59 CO 0.07 -0.83 1.25 0.20 -0.10 0.00 0.00 174.94 175.53 2ctt s ASN 60 N 2.52 6.21 -0.26 3.58 -0.87 -1.26 -0.88 114.94 123.98 2ctt s ASN 60 Ca 0.08 -0.66 0.02 0.00 -1.57 0.00 0.00 52.86 50.74 2ctt s ASN 60 Cb -0.24 -2.54 0.06 0.00 -0.02 0.00 0.00 41.25 38.51 2ctt s ASN 60 CO -0.02 -1.74 -0.07 0.28 -2.57 0.00 0.00 177.10 172.98 2ctt s THR 61 N 5.38 1.93 0.00 1.60 -1.32 -0.78 -5.02 115.64 117.43 2ctt s THR 61 Ca 0.34 -1.55 0.00 0.00 -1.21 0.00 0.00 61.69 59.28 2ctt s THR 61 Cb -0.08 -2.13 0.00 0.00 -1.51 0.00 0.00 72.50 68.78 2ctt s THR 61 CO 0.11 -0.11 0.00 0.61 -2.21 0.00 0.00 174.62 173.02 2ctt n GLY 62 N 4.51 0.91 0.00 6.08 0.00 -1.26 -2.52 105.19 112.91 2ctt n GLY 62 Ca -0.12 -0.66 0.07 0.00 0.00 0.00 0.00 46.02 45.31 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 0.44 0.13 -4.54 1.61 -0.04 -1.26 -4.75 135.00 126.59 2ctt n PRO 63 Ca 0.00 0.19 -0.27 0.00 -0.04 0.00 0.00 63.50 63.38 2ctt n PRO 63 Cb 0.00 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 31.86 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 -2.73 2.48 -0.07 0.54 -0.12 -1.05 -5.15 117.98 111.88 2ctt s PHE 64 Ca 0.11 -0.58 -0.05 0.00 -0.05 0.00 0.00 56.93 56.37 2ctt s PHE 64 Cb 0.10 -1.60 0.02 0.00 -0.63 0.00 0.00 43.02 40.92 2ctt s PHE 64 CO 0.24 0.50 0.17 0.54 -0.05 0.00 0.00 175.22 176.62 2ctt s VAL 65 N -2.65 -0.02 0.43 -2.49 0.11 -1.26 -1.87 120.40 112.66 2ctt s VAL 65 Ca 0.34 0.06 0.07 0.00 -2.93 0.00 0.00 61.98 59.52 2ctt s VAL 65 Cb 0.06 -0.26 0.01 0.00 -1.53 0.00 0.00 36.38 34.66 2ctt s VAL 65 CO 0.18 0.02 0.59 -0.04 -3.33 0.00 0.00 175.10 172.52 2ctt s MET 66 N 0.46 2.81 -0.13 1.54 -1.94 -0.06 -4.93 119.30 117.05 2ctt s MET 66 Ca -0.03 -1.15 -0.02 0.00 -1.71 0.00 0.00 55.69 52.78 2ctt s MET 66 Cb -0.04 -2.72 0.04 0.00 2.01 0.00 0.00 34.83 34.12 2ctt s MET 66 CO -0.02 -0.31 0.02 1.03 -0.01 0.00 0.00 175.02 175.73 2ctt s ARG 67 N -4.40 0.60 0.06 2.03 1.81 -1.26 -1.63 118.95 116.17 2ctt s ARG 67 Ca 0.55 -0.15 0.01 0.00 -1.72 0.00 0.00 55.73 54.42 2ctt s ARG 67 Cb -0.10 -1.55 -0.03 0.00 -0.45 0.00 0.00 34.95 32.81 2ctt s ARG 67 CO 0.34 -0.48 -0.06 0.45 -0.68 0.00 0.00 175.30 174.87 2ctt s SER 68 N 1.93 0.79 0.38 0.23 0.15 -0.91 -5.01 113.70 111.25 2ctt s SER 68 Ca 0.02 -0.79 -0.25 0.00 0.70 0.00 0.00 55.95 55.63 2ctt s SER 68 Cb -0.15 0.10 -0.12 0.00 -1.71 0.00 0.00 66.02 64.14 2ctt s SER 68 CO -0.07 -0.39 0.95 0.41 1.20 0.00 0.00 173.24 175.34 2ctt n THR 69 N 0.68 2.22 -0.71 6.45 -1.04 -1.26 0.23 114.28 120.84 2ctt n THR 69 Ca -0.17 -0.50 -0.32 0.00 -2.04 0.00 0.00 64.05 61.01 2ctt n THR 69 Cb 0.58 -1.03 0.16 0.00 -1.82 0.00 0.00 70.33 68.22 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 -2.13 0.82 0.14 0.00 1.74 -1.26 -4.13 116.66 111.84 2ctt n ARG 71 Ca 0.04 0.00 -0.14 0.00 -0.77 0.00 0.00 57.85 56.98 2ctt n ARG 71 Cb 0.58 -0.94 -0.08 0.00 -1.02 0.00 0.00 32.46 31.00 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 -0.31 0.09 5.56 2.47 -1.99 -3.33 114.38 116.87 2ctt h ARG 72 Ca 0.00 0.02 -0.31 0.00 -1.26 0.00 0.00 59.98 58.43 2ctt h ARG 72 Cb 0.88 0.07 -0.02 0.00 -1.65 0.00 0.00 29.97 29.25 2ctt h ARG 72 CO 0.00 -0.10 -1.67 0.00 0.56 0.00 0.00 179.97 178.76 2ctt n GLY 74 N 1.78 1.98 1.23 0.00 0.00 -1.25 -4.55 105.19 104.37 2ctt n GLY 74 Ca -0.30 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.01 0.83 0.00 -0.02 0.00 -1.26 -4.90 105.19 98.83 2ctt n GLY 75 Ca 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.57 0.41 0.00 1.61 0.63 -1.26 -4.77 116.66 112.71 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 0.45 -0.81 0.00 0.00 0.45 0.00 0.00 32.46 32.55 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 2.62 1.02 3.37 5.14 0.00 -1.26 -4.67 105.19 111.41 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 -1.95 0.00 -0.27 1.61 0.01 -1.26 -2.52 113.70 109.32 2ctt s SER 78 Ca 0.00 -0.83 -0.12 0.00 1.31 0.00 0.00 55.95 56.31 2ctt s SER 78 Cb 0.00 0.46 -0.05 0.00 0.21 0.00 0.00 66.02 66.64 2ctt s SER 78 CO 0.00 -0.92 0.24 -0.63 0.41 0.00 0.00 173.24 172.34 2ctt s ILE 79 N -3.96 5.28 -0.79 1.44 1.09 0.10 -4.53 121.20 119.83 2ctt s ILE 79 Ca 0.16 0.28 -0.23 0.00 -1.10 0.00 0.00 60.65 59.76 2ctt s ILE 79 Cb 0.03 -3.57 0.06 0.00 -1.06 0.00 0.00 42.46 37.92 2ctt s ILE 79 CO -0.00 0.24 1.18 -0.63 -0.10 0.00 0.00 174.94 175.62 2ctt s ILE 80 N 1.77 4.12 0.35 2.92 1.01 -1.26 -2.29 121.20 127.81 2ctt s ILE 80 Ca 0.09 -0.39 0.11 0.00 0.00 0.00 0.00 60.65 60.47 2ctt s ILE 80 Cb -0.16 -4.84 0.34 0.00 0.01 0.00 0.00 42.46 37.80 2ctt s ILE 80 CO 0.10 -1.68 1.78 0.40 0.00 0.00 0.00 174.94 175.54 2ctt h ILE 81 N 6.13 0.64 -3.23 2.92 5.03 -1.96 -3.35 117.51 123.68 2ctt h ILE 81 Ca -0.12 -0.21 -0.52 0.00 -0.12 0.00 0.00 64.86 63.89 2ctt h ILE 81 Cb 1.05 -0.01 -0.40 0.00 -3.03 0.00 0.00 36.82 34.42 2ctt h ILE 81 CO 1.25 0.11 -0.76 -0.55 -0.68 0.00 0.00 178.15 177.51 2ctt s SER 82 N -5.39 3.01 0.57 1.72 0.15 -1.26 -5.13 113.70 107.37 2ctt s SER 82 Ca -0.10 -0.91 -0.18 0.00 0.70 0.00 0.00 55.95 55.46 2ctt s SER 82 Cb 0.25 -0.59 -0.04 0.00 -1.71 0.00 0.00 66.02 63.92 2ctt s SER 82 CO 0.80 -0.32 1.12 -2.16 1.20 0.00 0.00 173.24 173.88 2ctt s PRO 83 N 1.86 3.23 1.03 5.44 0.04 -1.26 -2.83 135.00 142.51 2ctt s PRO 83 Ca 0.01 1.56 -0.24 0.00 0.04 0.00 0.00 61.00 62.37 2ctt s PRO 83 Cb -0.17 -1.99 -0.11 0.00 0.04 0.00 0.00 34.50 32.27 2ctt s PRO 83 CO -0.11 -0.94 -1.00 0.00 0.04 0.00 0.00 177.00 174.99 2ctt n VAL 85 N -3.62 0.00 -0.07 0.00 0.24 -1.26 -3.87 118.33 109.75 2ctt n VAL 85 Ca -0.01 -0.48 -0.10 0.00 -2.04 0.00 0.00 64.34 61.71 2ctt n VAL 85 Cb 0.69 1.01 -0.07 0.00 -1.47 0.00 0.00 33.84 34.01 2ctt n VAL 85 CO 0.00 0.00 0.00 1.33 -2.14 0.00 0.00 176.83 176.02 2ctt n VAL 86 N -0.55 0.81 0.33 3.34 0.24 -1.26 -4.69 118.33 116.55 2ctt n VAL 86 Ca 0.01 -0.32 0.06 0.00 -2.04 0.00 0.00 64.34 62.04 2ctt n VAL 86 Cb 0.03 -0.98 -0.08 0.00 -1.47 0.00 0.00 33.84 31.34 2ctt n VAL 86 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2ctt n ARG 88 N -1.54 -7.01 -3.14 0.00 5.12 -1.25 -2.44 116.66 106.39 2ctt n ARG 88 Ca 0.00 0.80 -0.14 0.00 -1.93 0.00 0.00 57.85 56.58 2ctt n ARG 88 Cb 0.24 -5.79 0.05 0.00 -1.16 0.00 0.00 32.46 25.80 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 -1.61 0.06 0.11 -0.13 0.00 -1.26 -4.80 105.19 97.55 2ctt n GLY 89 Ca -0.13 -0.13 -0.14 0.00 0.00 0.00 0.00 46.02 45.63 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 -3.96 1.51 0.00 4.61 0.00 -1.02 -4.92 120.51 116.73 2ctt n ALA 90 Ca 0.00 -1.10 0.00 0.00 0.00 0.00 0.00 53.44 52.34 2ctt n ALA 90 Cb 0.54 -0.09 0.00 0.00 0.00 0.00 0.00 19.45 19.90 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 2.16 1.65 3.08 0.00 0.00 -1.26 -5.01 105.19 105.80 2ctt n GLY 91 Ca -0.37 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.00 0.57 0.04 1.61 -0.21 -1.26 -2.28 119.66 117.13 2ctt s GLN 92 Ca 0.00 -1.14 -0.15 0.00 0.02 0.00 0.00 55.36 54.09 2ctt s GLN 92 Cb 0.00 0.19 0.03 0.00 1.00 0.00 0.00 33.01 34.23 2ctt s GLN 92 CO 0.00 -0.10 0.34 0.00 -2.12 0.00 0.00 175.29 173.41 2ctt s ALA 93 N -3.58 -0.80 -0.60 6.09 0.00 0.15 -4.56 121.76 118.46 2ctt s ALA 93 Ca 0.04 0.12 -0.26 0.00 0.00 0.00 0.00 51.96 51.85 2ctt s ALA 93 Cb 0.06 0.33 -0.03 0.00 0.00 0.00 0.00 23.12 23.48 2ctt s ALA 93 CO -0.09 -0.43 1.95 0.15 0.00 0.00 0.00 175.76 177.34 2ctt s LYS 94 N -2.53 2.54 0.00 0.00 3.01 -1.26 -1.19 119.74 120.31 2ctt s LYS 94 Ca -0.05 0.70 0.00 0.00 -1.01 0.00 0.00 55.97 55.61 2ctt s LYS 94 Cb -0.01 -4.43 0.00 0.00 -1.01 0.00 0.00 37.83 32.38 2ctt s LYS 94 CO -0.03 -2.84 0.00 1.04 0.51 0.00 0.00 175.35 174.03 2ctt n GLN 95 N 9.16 0.00 -3.63 1.68 3.00 -1.03 -4.93 117.38 121.63 2ctt n GLN 95 Ca 0.23 0.02 -0.03 0.00 -0.01 0.00 0.00 57.00 57.21 2ctt n GLN 95 Cb 0.52 -0.23 -0.03 0.00 0.00 0.00 0.00 30.24 30.50 2ctt n GLN 95 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.06 177.27 2ctt s LYS 96 N -0.08 0.13 -0.19 -1.09 2.47 -1.16 -4.95 119.74 114.87 2ctt s LYS 96 Ca 0.00 -0.01 -0.29 0.00 -1.56 0.00 0.00 55.97 54.11 2ctt s LYS 96 Cb 0.00 0.06 0.00 0.00 -1.46 0.00 0.00 37.83 36.44 2ctt s LYS 96 CO 0.00 -0.05 1.03 0.21 0.16 0.00 0.00 175.35 176.70 2ctt s LYS 97 N -1.52 4.31 -0.64 4.03 2.20 -1.26 -4.66 119.74 122.19 2ctt s LYS 97 Ca 0.09 1.37 -0.18 0.00 -0.36 0.00 0.00 55.97 56.89 2ctt s LYS 97 Cb -0.01 -3.61 0.12 0.00 -1.51 0.00 0.00 37.83 32.82 2ctt s LYS 97 CO -0.05 -0.53 0.72 0.50 -0.36 0.00 0.00 175.35 175.63 2ctt s ARG 98 N 2.84 3.15 -0.06 4.03 3.52 -1.26 -5.03 118.95 126.14 2ctt s ARG 98 Ca 0.45 -1.54 -0.30 0.00 -0.13 0.00 0.00 55.73 54.22 2ctt s ARG 98 Cb -0.16 -4.35 -0.04 0.00 -1.56 0.00 0.00 34.95 28.84 2ctt s ARG 98 CO 0.10 -1.51 1.39 0.45 -0.81 0.00 0.00 175.30 174.92 2ctt s SER 99 N 3.46 6.86 0.00 -2.12 0.15 -1.26 -4.56 113.70 116.24 2ctt s SER 99 Ca 0.13 2.00 0.00 0.00 0.70 0.00 0.00 55.95 58.78 2ctt s SER 99 Cb -0.22 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.54 2ctt s SER 99 CO 0.03 -0.75 0.00 0.61 1.20 0.00 0.00 173.24 174.32 2ctt n GLY 100 N 3.70 0.28 3.57 9.45 0.00 -1.26 -4.96 105.19 115.96 2ctt n GLY 100 Ca 0.14 -1.16 -0.27 0.00 0.00 0.00 0.00 46.02 44.73 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 0.00 2.53 -0.58 1.61 0.04 -1.26 -4.92 135.00 132.42 2ctt s PRO 101 Ca 0.00 -0.64 -0.28 0.00 0.04 0.00 0.00 61.00 60.12 2ctt s PRO 101 Cb 0.00 -5.14 0.01 0.00 0.04 0.00 0.00 34.50 29.41 2ctt s PRO 101 CO 0.00 -3.62 1.49 -1.54 0.04 0.00 0.00 177.00 173.37 2ctt s SER 102 N 7.41 5.98 0.03 6.66 1.04 -1.26 -4.95 113.70 128.62 2ctt s SER 102 Ca 0.69 0.25 -0.20 0.00 0.48 0.00 0.00 55.95 57.17 2ctt s SER 102 Cb -0.04 -2.54 0.04 0.00 0.10 0.00 0.00 66.02 63.57 2ctt s SER 102 CO 0.05 -1.83 0.44 -0.55 0.98 0.00 0.00 173.24 172.33 2ctt s SER 103 N 5.00 -0.33 0.00 7.02 0.15 -1.26 -5.22 113.70 119.05 2ctt s SER 103 Ca 0.54 0.10 0.25 0.00 0.70 0.00 0.00 55.95 57.54 2ctt s SER 103 Cb -0.11 0.43 0.36 0.00 -1.71 0.00 0.00 66.02 64.99 2ctt s SER 103 CO 0.23 -0.64 1.36 0.61 1.20 0.00 0.00 173.24 176.00