#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d8y s SER 2 N 0.00 6.38 0.28 1.61 0.15 -1.26 -5.00 113.70 115.86 2d8y s SER 2 Ca 0.00 -2.72 -0.20 0.00 0.70 0.00 0.00 55.95 53.73 2d8y s SER 2 Cb 0.00 -2.12 0.05 0.00 -1.71 0.00 0.00 66.02 62.24 2d8y s SER 2 CO 0.00 -0.53 0.85 -0.44 1.20 0.00 0.00 173.24 174.32 2d8y s SER 3 N 1.82 -0.09 -0.13 5.45 0.01 -1.26 -5.16 113.70 114.35 2d8y s SER 3 Ca 0.17 -0.80 -0.01 0.00 1.31 0.00 0.00 55.95 56.62 2d8y s SER 3 Cb -0.13 0.69 0.04 0.00 0.21 0.00 0.00 66.02 66.83 2d8y s SER 3 CO -0.07 -1.34 -0.02 -0.83 0.41 0.00 0.00 173.24 171.39 2d8y s GLY 4 N -3.08 0.70 0.31 3.44 0.00 -1.26 -5.12 107.32 102.31 2d8y s GLY 4 Ca 0.15 -0.48 -0.10 0.00 0.00 0.00 0.00 44.72 44.29 2d8y s GLY 4 CO 0.08 1.09 0.56 -1.35 0.00 0.00 0.00 173.10 173.48 2d8y s SER 5 N 1.82 0.28 -0.22 1.64 1.04 -1.26 -5.17 113.70 111.83 2d8y s SER 5 Ca 0.03 -1.16 -0.11 0.00 0.48 0.00 0.00 55.95 55.19 2d8y s SER 5 Cb -0.14 0.68 0.07 0.00 0.10 0.00 0.00 66.02 66.74 2d8y s SER 5 CO -0.07 -1.33 0.53 -0.55 0.98 0.00 0.00 173.24 172.80 2d8y s SER 6 N -3.10 -0.69 -0.42 7.02 0.15 -1.26 -5.11 113.70 110.29 2d8y s SER 6 Ca 0.23 1.17 0.05 0.00 0.70 0.00 0.00 55.95 58.10 2d8y s SER 6 Cb -0.02 1.16 0.17 0.00 -1.71 0.00 0.00 66.02 65.62 2d8y s SER 6 CO 0.13 -0.22 0.49 -0.83 1.20 0.00 0.00 173.24 174.02 2d8y s GLY 7 N 1.72 -0.25 -0.02 9.45 0.00 -1.26 -5.13 107.32 111.83 2d8y s GLY 7 Ca -0.09 -0.97 -0.01 0.00 0.00 0.00 0.00 44.72 43.66 2d8y s GLY 7 CO -0.16 2.97 0.04 1.06 0.00 0.00 0.00 173.10 177.01 2d8y s MET 8 N 1.09 0.01 -0.08 2.90 1.00 -1.26 -5.11 119.30 117.86 2d8y s MET 8 Ca 0.23 0.13 -0.30 0.00 0.00 0.00 0.00 55.69 55.76 2d8y s MET 8 Cb -0.07 -0.10 -0.08 0.00 0.00 0.00 0.00 34.83 34.58 2d8y s MET 8 CO -0.07 -0.08 2.08 1.63 0.00 0.00 0.00 175.02 178.58 2d8y n LYS 9 N 3.61 2.42 -3.87 2.03 4.01 -1.26 -4.95 118.16 120.15 2d8y n LYS 9 Ca -0.20 0.81 -0.09 0.00 -0.51 0.00 0.00 58.31 58.32 2d8y n LYS 9 Cb 0.55 -3.07 -0.08 0.00 -0.51 0.00 0.00 35.03 31.92 2d8y n LYS 9 CO 0.00 0.00 0.00 -0.59 -1.11 0.00 0.00 177.40 175.70 2d8y s PHE 10 N 6.10 0.16 0.59 2.13 -0.71 -1.26 -5.14 117.98 119.84 2d8y s PHE 10 Ca 0.95 -0.54 -0.19 0.00 -1.04 0.00 0.00 56.93 56.10 2d8y s PHE 10 Cb -0.42 -0.08 -0.05 0.00 -1.21 0.00 0.00 43.02 41.26 2d8y s PHE 10 CO 0.40 -0.50 0.96 1.04 -1.34 0.00 0.00 175.22 175.78 2d8y n GLN 11 N 0.15 0.94 0.46 1.99 1.13 -1.26 -4.93 117.38 115.86 2d8y n GLN 11 Ca -0.16 0.36 -0.18 0.00 -1.94 0.00 0.00 57.00 55.08 2d8y n GLN 11 Cb 0.61 -2.15 -0.09 0.00 0.11 0.00 0.00 30.24 28.73 2d8y n GLN 11 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2d8y h ALA 12 N 0.58 -1.28 0.00 -1.58 0.00 -2.01 -2.62 119.26 112.36 2d8y h ALA 12 Ca -0.48 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.17 2d8y h ALA 12 Cb 1.36 0.45 0.00 0.00 0.00 0.00 0.00 17.79 19.60 2d8y h ALA 12 CO 0.51 -1.19 0.00 -0.35 0.00 0.00 0.00 179.25 178.22 2d8y n PRO 13 N -5.22 0.49 -3.76 0.00 -0.04 -1.26 -4.86 135.00 120.35 2d8y n PRO 13 Ca -0.14 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.07 2d8y n PRO 13 Cb 0.46 -1.39 0.02 0.00 -0.04 0.00 0.00 33.50 32.55 2d8y n PRO 13 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2d8y n ALA 14 N -0.89 -2.18 -0.77 0.55 0.00 -0.99 -4.91 120.51 111.33 2d8y n ALA 14 Ca 0.09 -0.21 -0.31 0.00 0.00 0.00 0.00 53.44 53.02 2d8y n ALA 14 Cb 0.04 -2.53 0.11 0.00 0.00 0.00 0.00 19.45 17.08 2d8y n ALA 14 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 2d8y n ARG 15 N -4.25 -1.08 -2.74 0.00 0.00 -1.26 -4.95 116.66 102.38 2d8y n ARG 15 Ca -0.24 -0.31 -0.28 0.00 -0.00 0.00 0.00 57.85 57.02 2d8y n ARG 15 Cb 0.66 -1.38 -0.01 0.00 -0.00 0.00 0.00 32.46 31.72 2d8y n ARG 15 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 2d8y s GLU 16 N -2.86 3.63 0.10 2.89 2.02 -1.24 -4.99 118.70 118.24 2d8y s GLU 16 Ca 0.43 0.28 0.09 0.00 0.02 0.00 0.00 54.97 55.79 2d8y s GLU 16 Cb -0.02 -2.39 -0.03 0.00 0.10 0.00 0.00 34.13 31.78 2d8y s GLU 16 CO 0.58 -0.13 -0.22 0.99 0.02 0.00 0.00 175.26 176.49 2d8y s THR 17 N -2.58 1.84 0.19 3.63 2.01 -1.26 -0.70 115.64 118.77 2d8y s THR 17 Ca 0.48 -1.55 -0.30 0.00 0.31 0.00 0.00 61.69 60.64 2d8y s THR 17 Cb -0.10 -1.65 -0.08 0.00 0.01 0.00 0.00 72.50 70.68 2d8y s THR 17 CO 0.40 0.02 0.95 0.00 -0.69 0.00 0.00 174.62 175.29 2d8y n VAL 19 N 1.96 0.70 0.01 0.00 0.24 -1.02 -1.67 118.33 118.55 2d8y n VAL 19 Ca -0.00 -0.49 -0.02 0.00 -2.04 0.00 0.00 64.34 61.78 2d8y n VAL 19 Cb 0.48 0.01 -0.01 0.00 -1.47 0.00 0.00 33.84 32.85 2d8y n VAL 19 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2d8y n GLU 20 N 0.39 0.07 -0.00 7.34 -0.58 -1.26 -4.81 120.64 121.78 2d8y n GLU 20 Ca 0.11 0.03 0.11 0.00 -0.42 0.00 0.00 57.16 56.99 2d8y n GLU 20 Cb 0.41 -0.62 -0.13 0.00 -0.57 0.00 0.00 31.44 30.52 2d8y n GLU 20 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2d8y n GLN 22 N -1.93 -5.94 0.00 0.00 1.13 -0.67 -4.95 117.38 105.02 2d8y n GLN 22 Ca -0.00 0.71 0.00 0.00 -1.94 0.00 0.00 57.00 55.77 2d8y n GLN 22 Cb 0.46 -5.53 0.00 0.00 0.11 0.00 0.00 30.24 25.28 2d8y n GLN 22 CO 0.00 0.00 0.00 1.17 -1.44 0.00 0.00 177.06 176.79 2d8y n LYS 23 N -4.40 0.00 -3.29 -1.09 4.81 -1.26 -4.86 118.16 108.07 2d8y n LYS 23 Ca -0.20 0.00 0.03 0.00 -0.87 0.00 0.00 58.31 57.27 2d8y n LYS 23 Cb 0.64 -0.04 -0.04 0.00 0.02 0.00 0.00 35.03 35.60 2d8y n LYS 23 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 2d8y s THR 24 N -0.12 -0.11 -0.29 3.15 2.01 -1.26 -4.73 115.64 114.28 2d8y s THR 24 Ca 0.00 0.00 -0.10 0.00 0.31 0.00 0.00 61.69 61.90 2d8y s THR 24 Cb 0.00 -1.00 -0.03 0.00 0.01 0.00 0.00 72.50 71.48 2d8y s THR 24 CO 0.00 0.00 0.17 -0.69 -0.69 0.00 0.00 174.62 173.41 2d8y s VAL 25 N 1.95 5.02 0.58 3.82 1.01 0.12 -4.75 120.40 128.15 2d8y s VAL 25 Ca -0.01 -0.05 -0.08 0.00 0.00 0.00 0.00 61.98 61.84 2d8y s VAL 25 Cb -0.02 -3.45 -0.02 0.00 0.00 0.00 0.00 36.38 32.90 2d8y s VAL 25 CO -0.15 0.19 0.93 -0.31 0.00 0.00 0.00 175.10 175.76 2d8y s TYR 26 N 1.71 3.47 -2.00 5.22 1.51 -1.26 -3.71 117.35 122.28 2d8y s TYR 26 Ca 0.06 0.95 0.07 0.00 -1.01 0.00 0.00 57.07 57.14 2d8y s TYR 26 Cb -0.16 -2.65 0.39 0.00 -0.11 0.00 0.00 41.96 39.44 2d8y s TYR 26 CO 0.09 -0.67 0.85 -0.35 -1.11 0.00 0.00 175.55 174.36 2d8y n PRO 27 N -2.60 0.49 -0.00 -1.71 -0.04 -1.26 -1.37 135.00 128.51 2d8y n PRO 27 Ca 0.04 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.55 2d8y n PRO 27 Cb 0.56 -1.21 -0.07 0.00 -0.04 0.00 0.00 33.50 32.73 2d8y n PRO 27 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2d8y n MET 28 N -0.71 0.59 -0.24 0.54 0.00 -1.26 -4.59 117.12 111.45 2d8y n MET 28 Ca 0.05 -0.08 0.07 0.00 0.00 0.00 0.00 57.70 57.73 2d8y n MET 28 Cb 0.02 -1.21 0.09 0.00 0.00 0.00 0.00 33.22 32.13 2d8y n MET 28 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 175.97 175.12 2d8y n GLU 29 N -1.78 0.84 -2.56 3.17 0.28 -0.82 -4.99 120.64 114.78 2d8y n GLU 29 Ca -0.01 -2.06 -0.41 0.00 -0.16 0.00 0.00 57.16 54.52 2d8y n GLU 29 Cb 0.24 -1.15 -0.03 0.00 1.43 0.00 0.00 31.44 31.93 2d8y n GLU 29 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 177.13 177.47 2d8y s ARG 30 N -1.89 3.46 -0.44 3.44 3.52 -0.47 -3.70 118.95 122.86 2d8y s ARG 30 Ca 0.21 -0.84 -0.18 0.00 -0.13 0.00 0.00 55.73 54.79 2d8y s ARG 30 Cb 0.19 -4.96 0.03 0.00 -1.56 0.00 0.00 34.95 28.64 2d8y s ARG 30 CO 0.02 -2.18 0.52 -1.17 -0.81 0.00 0.00 175.30 171.67 2d8y s LEU 31 N 5.20 4.79 0.02 -0.88 0.20 -0.02 -4.93 118.68 123.06 2d8y s LEU 31 Ca 0.42 -0.62 -0.30 0.00 0.69 0.00 0.00 54.13 54.32 2d8y s LEU 31 Cb -0.03 -2.49 -0.06 0.00 -0.43 0.00 0.00 46.19 43.18 2d8y s LEU 31 CO -0.02 -0.68 1.40 -0.22 -0.29 0.00 0.00 176.35 176.54 2d8y s LEU 32 N 2.38 4.33 -0.17 -0.68 1.98 -1.26 -1.27 118.68 123.99 2d8y s LEU 32 Ca 0.15 2.15 -0.05 0.00 -2.89 0.00 0.00 54.13 53.49 2d8y s LEU 32 Cb -0.17 -3.57 0.08 0.00 0.66 0.00 0.00 46.19 43.20 2d8y s LEU 32 CO 0.15 -0.70 0.33 0.00 -1.89 0.00 0.00 176.35 174.24 2d8y s ALA 33 N 2.15 -0.81 -1.27 5.97 0.00 -0.42 -4.89 121.76 122.48 2d8y s ALA 33 Ca 0.64 1.11 -0.07 0.00 0.00 0.00 0.00 51.96 53.64 2d8y s ALA 33 Cb -0.32 -1.21 0.01 0.00 0.00 0.00 0.00 23.12 21.60 2d8y s ALA 33 CO 0.27 -0.77 0.88 0.09 0.00 0.00 0.00 175.76 176.24 2d8y n ASN 34 N 5.37 -5.84 -3.58 0.00 3.02 -1.26 -2.30 115.26 110.67 2d8y n ASN 34 Ca -0.07 -0.40 -0.23 0.00 -0.03 0.00 0.00 54.58 53.85 2d8y n ASN 34 Cb 0.50 -4.52 0.08 0.00 -0.61 0.00 0.00 39.78 35.22 2d8y n ASN 34 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2d8y n GLN 35 N -4.23 -7.74 -3.64 3.52 6.02 -1.26 -4.99 117.38 105.04 2d8y n GLN 35 Ca -0.03 0.83 -0.12 0.00 -0.01 0.00 0.00 57.00 57.67 2d8y n GLN 35 Cb 0.57 -5.88 -0.06 0.00 1.02 0.00 0.00 30.24 25.90 2d8y n GLN 35 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 2d8y s GLN 36 N -6.17 0.97 -0.08 -1.09 -0.21 -0.97 -5.14 119.66 106.96 2d8y s GLN 36 Ca 0.50 -0.43 -0.30 0.00 0.02 0.00 0.00 55.36 55.15 2d8y s GLN 36 Cb -0.22 0.43 -0.02 0.00 1.00 0.00 0.00 33.01 34.20 2d8y s GLN 36 CO 0.73 -0.35 1.09 0.08 -2.12 0.00 0.00 175.29 174.72 2d8y s VAL 37 N -2.78 4.57 0.03 1.09 1.01 -1.26 -1.30 120.40 121.75 2d8y s VAL 37 Ca -0.03 1.86 0.02 0.00 0.00 0.00 0.00 61.98 63.82 2d8y s VAL 37 Cb -0.00 -4.19 -0.02 0.00 0.00 0.00 0.00 36.38 32.17 2d8y s VAL 37 CO -0.05 0.00 -0.07 -0.36 0.00 0.00 0.00 175.10 174.63 2d8y s PHE 38 N 2.09 0.58 0.11 5.22 0.08 -0.40 -2.43 117.98 123.24 2d8y s PHE 38 Ca 0.51 -0.37 -0.28 0.00 0.12 0.00 0.00 56.93 56.91 2d8y s PHE 38 Cb -0.21 -0.36 -0.06 0.00 -0.57 0.00 0.00 43.02 41.82 2d8y s PHE 38 CO 0.20 -0.06 0.90 -1.01 -0.10 0.00 0.00 175.22 175.14 2d8y s HIS 39 N -0.99 3.81 -0.01 0.36 3.76 -1.26 -0.84 115.29 120.13 2d8y s HIS 39 Ca -0.06 1.72 0.13 0.00 -0.15 0.00 0.00 55.06 56.69 2d8y s HIS 39 Cb -0.07 -2.97 0.69 0.00 1.11 0.00 0.00 32.58 31.34 2d8y s HIS 39 CO 0.00 0.26 1.28 -0.89 -0.85 0.00 0.00 174.74 174.55 2d8y n ILE 40 N 2.61 0.64 -0.10 0.60 -0.00 -1.24 -1.12 119.36 120.74 2d8y n ILE 40 Ca 0.00 0.74 -0.20 0.00 -0.00 0.00 0.00 62.75 63.28 2d8y n ILE 40 Cb 0.49 -1.74 -0.08 0.00 -0.00 0.00 0.00 39.64 38.32 2d8y n ILE 40 CO 0.00 0.00 0.00 -0.24 -0.00 0.00 0.00 176.55 176.31 2d8y n SER 41 N -2.03 1.72 -0.22 4.38 2.88 -1.26 -4.53 113.62 114.56 2d8y n SER 41 Ca -0.01 0.17 0.12 0.00 -1.33 0.00 0.00 58.87 57.82 2d8y n SER 41 Cb 0.31 -0.54 0.41 0.00 -0.75 0.00 0.00 64.21 63.64 2d8y n SER 41 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2d8y n PHE 43 N -4.52 0.44 -4.17 0.00 7.35 -0.28 -4.79 117.46 111.48 2d8y n PHE 43 Ca 0.15 -0.02 -0.12 0.00 -0.76 0.00 0.00 57.45 56.70 2d8y n PHE 43 Cb 0.43 -1.32 -0.09 0.00 0.35 0.00 0.00 39.48 38.84 2d8y n PHE 43 CO 0.00 0.00 0.00 1.03 -0.76 0.00 0.00 176.76 177.03 2d8y s ARG 44 N 7.54 1.29 0.32 -4.13 0.52 -1.26 -0.95 118.95 122.27 2d8y s ARG 44 Ca 1.03 -1.60 -0.26 0.00 -0.52 0.00 0.00 55.73 54.38 2d8y s ARG 44 Cb -0.48 0.30 -0.10 0.00 0.52 0.00 0.00 34.95 35.19 2d8y s ARG 44 CO 0.33 -0.45 0.96 0.00 0.02 0.00 0.00 175.30 176.17 2d8y n SER 46 N 0.63 2.16 0.10 0.00 7.64 0.18 -1.47 113.62 122.87 2d8y n SER 46 Ca 0.02 -2.18 0.00 0.00 1.01 0.00 0.00 58.87 57.72 2d8y n SER 46 Cb 0.49 -0.54 0.00 0.00 -1.01 0.00 0.00 64.21 63.16 2d8y n SER 46 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2d8y n TYR 47 N 0.14 -1.61 0.02 1.43 4.19 -1.26 -4.90 117.16 115.17 2d8y n TYR 47 Ca 0.06 0.29 0.11 0.00 3.31 0.00 0.00 57.90 61.66 2d8y n TYR 47 Cb 0.49 0.41 -0.12 0.00 0.49 0.00 0.00 39.34 40.60 2d8y n TYR 47 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 2d8y n ASN 49 N -2.39 -2.33 -4.49 0.00 4.13 -0.54 -4.94 115.26 104.71 2d8y n ASN 49 Ca -0.03 -0.50 -0.35 0.00 1.68 0.00 0.00 54.58 55.37 2d8y n ASN 49 Cb 0.57 -4.29 -0.12 0.00 -1.54 0.00 0.00 39.78 34.41 2d8y n ASN 49 CO 0.00 0.00 0.00 0.20 0.28 0.00 0.00 177.26 177.74 2d8y s ASN 50 N -4.04 5.03 -0.06 6.41 0.01 -1.26 -4.72 114.94 116.30 2d8y s ASN 50 Ca 0.04 -0.14 -0.39 0.00 -0.71 0.00 0.00 52.86 51.65 2d8y s ASN 50 Cb -0.02 -1.86 -0.18 0.00 0.41 0.00 0.00 41.25 39.60 2d8y s ASN 50 CO 0.60 0.08 1.35 1.17 -1.51 0.00 0.00 177.10 178.79 2d8y n LYS 51 N 4.17 0.67 -3.56 -0.60 4.81 -1.26 -3.35 118.16 119.04 2d8y n LYS 51 Ca -0.17 0.24 -0.23 0.00 -0.87 0.00 0.00 58.31 57.29 2d8y n LYS 51 Cb 0.52 -1.83 -0.00 0.00 0.02 0.00 0.00 35.03 33.73 2d8y n LYS 51 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 2d8y n LEU 52 N 2.84 0.00 -3.73 3.14 4.77 -0.13 -4.97 117.00 118.92 2d8y n LEU 52 Ca 0.22 -2.46 -0.13 0.00 -0.03 0.00 0.00 56.01 53.61 2d8y n LEU 52 Cb 0.12 -0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.10 2d8y n LEU 52 CO 0.68 -0.52 0.06 -0.44 -1.33 0.00 0.00 177.39 175.83 2d8y s SER 53 N -3.71 -0.42 -0.95 -1.43 0.01 -1.26 -4.93 113.70 101.00 2d8y s SER 53 Ca 0.24 0.80 -0.13 0.00 1.31 0.00 0.00 55.95 58.17 2d8y s SER 53 Cb -0.02 0.79 -0.30 0.00 0.21 0.00 0.00 66.02 66.70 2d8y s SER 53 CO 0.15 -0.15 2.14 0.18 0.41 0.00 0.00 173.24 175.98 2d8y n LEU 54 N 3.12 -1.06 0.00 2.44 4.77 -1.26 -0.16 117.00 124.84 2d8y n LEU 54 Ca -0.15 -0.38 0.00 0.00 -0.03 0.00 0.00 56.01 55.45 2d8y n LEU 54 Cb 0.57 -0.58 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 2d8y n LEU 54 CO 0.13 -1.23 0.00 0.61 -1.33 0.00 0.00 177.39 175.57 2d8y n GLY 55 N 5.40 0.76 0.16 -0.72 0.00 -1.26 -4.96 105.19 104.58 2d8y n GLY 55 Ca 0.64 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.72 2d8y n GLY 55 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2d8y n THR 56 N 0.00 1.23 -3.63 2.61 5.66 0.77 -5.06 114.28 115.87 2d8y n THR 56 Ca 0.00 -1.45 -0.22 0.00 -3.05 0.00 0.00 64.05 59.33 2d8y n THR 56 Cb 0.00 0.09 -0.02 0.00 -1.55 0.00 0.00 70.33 68.85 2d8y n THR 56 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 175.07 171.30 2d8y s TYR 57 N -1.81 2.45 -0.30 1.09 -0.85 -1.25 -3.44 117.35 113.24 2d8y s TYR 57 Ca 0.19 -0.57 -0.16 0.00 -0.52 0.00 0.00 57.07 56.01 2d8y s TYR 57 Cb 0.16 -2.12 0.16 0.00 0.38 0.00 0.00 41.96 40.55 2d8y s TYR 57 CO 0.02 -0.22 1.01 0.00 -1.52 0.00 0.00 175.55 174.84 2d8y s ALA 58 N -2.54 -2.53 0.27 9.51 0.00 -0.38 -4.78 121.76 121.31 2d8y s ALA 58 Ca 0.46 2.11 0.09 0.00 0.00 0.00 0.00 51.96 54.62 2d8y s ALA 58 Cb -0.03 -1.90 -0.04 0.00 0.00 0.00 0.00 23.12 21.15 2d8y s ALA 58 CO 0.27 -0.65 0.01 -1.54 0.00 0.00 0.00 175.76 173.85 2d8y s SER 59 N 1.87 4.59 0.03 0.00 1.04 -1.26 0.74 113.70 120.70 2d8y s SER 59 Ca -0.06 -0.64 0.00 0.00 0.48 0.00 0.00 55.95 55.74 2d8y s SER 59 Cb -0.05 -0.86 0.00 0.00 0.10 0.00 0.00 66.02 65.21 2d8y s SER 59 CO -0.16 -0.02 0.00 -0.11 0.98 0.00 0.00 173.24 173.93 2d8y n LEU 60 N -0.92 0.07 -1.19 2.42 7.94 -1.18 -4.92 117.00 119.22 2d8y n LEU 60 Ca -0.06 0.04 -0.06 0.00 -1.11 0.00 0.00 56.01 54.82 2d8y n LEU 60 Cb 0.59 0.00 0.15 0.00 0.53 0.00 0.00 43.42 44.69 2d8y n LEU 60 CO 0.41 -0.54 0.43 1.41 -1.11 0.00 0.00 177.39 177.99 2d8y n HIS 61 N -2.63 1.13 0.00 1.96 8.25 -1.26 -4.90 115.22 117.77 2d8y n HIS 61 Ca 0.00 -1.78 0.00 0.00 -0.26 0.00 0.00 57.72 55.68 2d8y n HIS 61 Cb 0.00 -0.38 0.00 0.00 1.12 0.00 0.00 29.99 30.73 2d8y n HIS 61 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2d8y n GLY 62 N -1.00 2.01 3.78 -1.41 0.00 -1.26 -5.07 105.19 102.23 2d8y n GLY 62 Ca 0.31 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.94 2d8y n GLY 62 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2d8y s ARG 63 N -0.16 4.26 0.43 1.61 0.52 -1.26 -5.05 118.95 119.31 2d8y s ARG 63 Ca 0.00 0.68 -0.15 0.00 -0.52 0.00 0.00 55.73 55.74 2d8y s ARG 63 Cb 0.00 -3.32 -0.08 0.00 0.52 0.00 0.00 34.95 32.07 2d8y s ARG 63 CO 0.00 0.44 0.87 0.42 0.02 0.00 0.00 175.30 177.05 2d8y s ILE 64 N -0.40 4.61 0.00 1.52 -1.09 -1.26 -3.10 121.20 121.48 2d8y s ILE 64 Ca 0.30 1.04 -0.14 0.00 -2.23 0.00 0.00 60.65 59.62 2d8y s ILE 64 Cb -0.18 -3.68 0.02 0.00 -1.58 0.00 0.00 42.46 37.04 2d8y s ILE 64 CO 0.17 -0.48 0.29 -0.31 -1.23 0.00 0.00 174.94 173.37 2d8y s TYR 65 N -2.36 -0.14 0.15 3.97 2.02 0.23 0.50 117.35 121.73 2d8y s TYR 65 Ca 0.56 0.15 -0.25 0.00 -0.37 0.00 0.00 57.07 57.16 2d8y s TYR 65 Cb -0.10 0.08 -0.08 0.00 -0.40 0.00 0.00 41.96 41.46 2d8y s TYR 65 CO 0.26 -0.41 0.76 0.00 -1.57 0.00 0.00 175.55 174.58 2d8y n LYS 67 N 1.66 -0.15 -0.02 0.00 4.01 -1.22 0.22 118.16 122.66 2d8y n LYS 67 Ca -0.06 0.85 -0.06 0.00 -0.51 0.00 0.00 58.31 58.52 2d8y n LYS 67 Cb 0.49 -1.26 -0.04 0.00 -0.51 0.00 0.00 35.03 33.71 2d8y n LYS 67 CO 0.00 0.00 0.00 -1.35 -1.11 0.00 0.00 177.40 174.94 2d8y h PRO 68 N 0.00 -0.22 -0.90 1.97 0.11 -1.92 0.30 132.00 131.34 2d8y h PRO 68 Ca 0.18 0.02 0.02 0.00 0.11 0.00 0.00 66.00 66.32 2d8y h PRO 68 Cb 0.32 0.05 -0.05 0.00 0.11 0.00 0.00 31.00 31.43 2d8y h PRO 68 CO -0.54 -0.15 0.59 0.45 -0.21 0.00 0.00 178.00 178.14 2d8y h HIS 69 N -0.23 1.12 0.22 0.65 3.86 -1.20 -2.69 115.15 116.88 2d8y h HIS 69 Ca 0.02 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.25 2d8y h HIS 69 Cb 0.28 -0.38 -0.01 0.00 1.06 0.00 0.00 27.41 28.37 2d8y h HIS 69 CO -0.54 0.68 -0.19 0.35 0.86 0.00 0.00 177.93 179.09 2d8y h PHE 70 N 1.19 -0.53 0.00 2.45 3.04 0.33 0.41 116.94 123.83 2d8y h PHE 70 Ca 0.34 0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.29 2d8y h PHE 70 Cb -0.09 0.20 0.00 0.00 2.56 0.00 0.00 35.95 38.62 2d8y h PHE 70 CO -0.01 -0.26 0.35 -0.97 -2.02 0.00 0.00 178.31 175.40 2d8y h ASN 71 N -0.41 0.00 0.00 0.41 -1.24 -0.38 0.76 115.58 114.72 2d8y h ASN 71 Ca -0.03 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.98 2d8y h ASN 71 Cb 0.35 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.40 2d8y h ASN 71 CO -0.01 0.00 -0.07 1.67 -1.29 0.00 0.00 177.43 177.73 2d8y n GLN 72 N -2.13 0.06 -0.08 6.67 7.27 -0.43 -2.89 117.38 125.85 2d8y n GLN 72 Ca -0.01 0.29 0.01 0.00 0.07 0.00 0.00 57.00 57.36 2d8y n GLN 72 Cb 0.37 -0.87 0.32 0.00 2.41 0.00 0.00 30.24 32.47 2d8y n GLN 72 CO 0.00 0.00 0.00 -0.07 0.07 0.00 0.00 177.06 177.06 2d8y h LEU 73 N -0.13 0.63 0.00 1.69 3.38 0.17 -3.30 115.31 117.74 2d8y h LEU 73 Ca 0.00 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2d8y h LEU 73 Cb 0.07 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.66 2d8y h LEU 73 CO 0.00 0.51 0.00 0.49 0.09 0.00 0.00 178.44 179.53 2d8y n PHE 74 N -4.41 0.00 -2.70 1.13 3.01 0.26 -4.84 117.46 109.91 2d8y n PHE 74 Ca 0.05 0.00 -0.40 0.00 1.01 0.00 0.00 57.45 58.10 2d8y n PHE 74 Cb 0.10 -0.45 -0.05 0.00 -0.01 0.00 0.00 39.48 39.07 2d8y n PHE 74 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 2d8y s LYS 75 N -1.17 4.76 0.05 -1.08 1.02 -1.14 -5.01 119.74 117.17 2d8y s LYS 75 Ca 0.00 1.52 -0.13 0.00 0.02 0.00 0.00 55.97 57.38 2d8y s LYS 75 Cb 0.00 -3.31 0.04 0.00 -0.52 0.00 0.00 37.83 34.04 2d8y s LYS 75 CO 0.00 0.35 0.59 0.45 -0.92 0.00 0.00 175.35 175.82 2d8y n SER 76 N 2.03 -0.78 -4.58 2.83 2.88 -1.26 -4.16 113.62 110.58 2d8y n SER 76 Ca 0.00 -1.33 -0.35 0.00 -1.33 0.00 0.00 58.87 55.86 2d8y n SER 76 Cb 0.48 1.25 -0.03 0.00 -0.75 0.00 0.00 64.21 65.16 2d8y n SER 76 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 2d8y s LYS 77 N -2.02 3.22 -0.36 -1.46 2.20 -1.26 -4.92 119.74 115.14 2d8y s LYS 77 Ca 0.14 -1.48 -0.42 0.00 -0.36 0.00 0.00 55.97 53.85 2d8y s LYS 77 Cb -0.01 -5.37 -0.17 0.00 -1.51 0.00 0.00 37.83 30.77 2d8y s LYS 77 CO 0.01 -3.08 1.78 0.41 -0.36 0.00 0.00 175.35 174.12 2d8y n GLY 78 N 5.76 0.58 2.61 5.54 0.00 -1.26 -4.93 105.19 113.49 2d8y n GLY 78 Ca 0.46 0.97 -0.27 0.00 0.00 0.00 0.00 46.02 47.17 2d8y n GLY 78 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2d8y s ASN 79 N 3.96 2.71 0.31 1.61 2.20 -1.26 -5.13 114.94 119.34 2d8y s ASN 79 Ca 1.03 -0.81 0.04 0.00 -0.94 0.00 0.00 52.86 52.18 2d8y s ASN 79 Cb -1.20 -0.32 -0.03 0.00 -2.00 0.00 0.00 41.25 37.71 2d8y s ASN 79 CO 0.69 -0.37 0.29 -0.31 -2.94 0.00 0.00 177.10 174.46 2d8y s TYR 80 N 2.09 1.53 0.57 1.54 1.51 -1.26 -5.16 117.35 118.17 2d8y s TYR 80 Ca 0.03 -1.55 -0.15 0.00 -1.01 0.00 0.00 57.07 54.40 2d8y s TYR 80 Cb -0.16 -0.58 -0.05 0.00 -0.11 0.00 0.00 41.96 41.06 2d8y s TYR 80 CO -0.15 -0.88 1.02 -0.51 -1.11 0.00 0.00 175.55 173.92 2d8y s ASP 81 N -3.31 6.19 -0.32 2.29 1.11 -1.26 -5.00 116.67 116.37 2d8y s ASP 81 Ca 0.39 1.63 0.07 0.00 0.18 0.00 0.00 52.55 54.82 2d8y s ASP 81 Cb 0.03 -2.51 0.45 0.00 1.07 0.00 0.00 42.92 41.96 2d8y s ASP 81 CO 0.24 -0.89 1.17 -1.84 1.18 0.00 0.00 175.17 175.03 2d8y n GLU 82 N -2.02 3.49 -1.90 8.23 0.28 -1.26 -4.82 120.64 122.64 2d8y n GLU 82 Ca 0.07 -4.21 -0.34 0.00 -0.16 0.00 0.00 57.16 52.53 2d8y n GLU 82 Cb 0.54 -2.24 0.04 0.00 1.43 0.00 0.00 31.44 31.21 2d8y n GLU 82 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2d8y n GLY 83 N -0.65 5.85 3.77 -1.84 0.00 -1.26 -5.03 105.19 106.03 2d8y n GLY 83 Ca 0.41 -2.52 -0.31 0.00 0.00 0.00 0.00 46.02 43.60 2d8y n GLY 83 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2d8y s PHE 84 N -3.83 2.65 0.46 1.61 5.36 -1.26 -5.02 117.98 117.96 2d8y s PHE 84 Ca 0.54 1.48 -0.19 0.00 -0.96 0.00 0.00 56.93 57.80 2d8y s PHE 84 Cb 0.45 -3.03 -0.10 0.00 -0.34 0.00 0.00 43.02 39.99 2d8y s PHE 84 CO -0.20 -1.77 0.97 0.20 -1.46 0.00 0.00 175.22 172.96 2d8y s GLY 85 N -3.49 2.29 -0.20 13.12 0.00 -1.26 -5.07 107.32 112.72 2d8y s GLY 85 Ca 0.61 0.35 -0.04 0.00 0.00 0.00 0.00 44.72 45.64 2d8y s GLY 85 CO 0.56 0.63 0.32 -0.45 0.00 0.00 0.00 173.10 174.17 2d8y s SER 86 N -2.45 0.42 0.19 1.64 0.15 -1.26 -5.14 113.70 107.25 2d8y s SER 86 Ca 0.62 0.35 -0.30 0.00 0.70 0.00 0.00 55.95 57.31 2d8y s SER 86 Cb -0.10 0.90 -0.08 0.00 -1.71 0.00 0.00 66.02 65.04 2d8y s SER 86 CO 0.20 -0.28 0.99 -0.83 1.20 0.00 0.00 173.24 174.51 2d8y s GLY 87 N 2.48 3.03 0.65 9.45 0.00 -1.26 -5.05 107.32 116.62 2d8y s GLY 87 Ca 0.06 0.66 -0.11 0.00 0.00 0.00 0.00 44.72 45.34 2d8y s GLY 87 CO -0.13 1.38 0.57 -1.55 0.00 0.00 0.00 173.10 173.38 2d8y n PRO 88 N 2.04 -2.13 -3.60 2.90 -0.04 -1.26 -5.01 135.00 127.89 2d8y n PRO 88 Ca 0.00 -0.92 -0.39 0.00 -0.04 0.00 0.00 63.50 62.16 2d8y n PRO 88 Cb 0.47 -0.86 -0.11 0.00 -0.04 0.00 0.00 33.50 32.96 2d8y n PRO 88 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2d8y s SER 89 N -3.05 5.80 -0.00 3.54 0.15 -1.26 -5.06 113.70 113.81 2d8y s SER 89 Ca 0.37 -0.35 -0.16 0.00 0.70 0.00 0.00 55.95 56.51 2d8y s SER 89 Cb -0.04 -2.07 0.03 0.00 -1.71 0.00 0.00 66.02 62.23 2d8y s SER 89 CO 0.29 -0.17 0.33 -0.55 1.20 0.00 0.00 173.24 174.34 2d8y s SER 90 N 1.68 -0.20 0.00 5.45 0.15 -1.26 -5.37 113.70 114.15 2d8y s SER 90 Ca 0.06 0.06 0.02 0.00 0.70 0.00 0.00 55.95 56.78 2d8y s SER 90 Cb -0.17 0.34 0.01 0.00 -1.71 0.00 0.00 66.02 64.49 2d8y s SER 90 CO 0.09 -0.50 0.55 0.61 1.20 0.00 0.00 173.24 175.19