#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2doc s SER 2 N 0.00 -0.32 0.07 1.61 0.15 -1.26 -5.19 113.70 108.77 2doc s SER 2 Ca 0.00 -0.38 -0.27 0.00 0.70 0.00 0.00 55.95 56.00 2doc s SER 2 Cb 0.00 0.62 0.09 0.00 -1.71 0.00 0.00 66.02 65.02 2doc s SER 2 CO 0.00 -1.11 1.14 -0.94 1.20 0.00 0.00 173.24 173.54 2doc s SER 3 N -2.85 -0.07 0.00 5.45 1.04 -1.26 -5.19 113.70 110.82 2doc s SER 3 Ca 0.09 -0.33 0.00 0.00 0.48 0.00 0.00 55.95 56.18 2doc s SER 3 Cb -0.03 0.32 0.00 0.00 0.10 0.00 0.00 66.02 66.41 2doc s SER 3 CO 0.00 -0.61 0.00 0.61 0.98 0.00 0.00 173.24 174.22 2doc n GLY 4 N -0.58 -0.73 3.55 7.32 0.00 -1.26 -5.06 105.19 108.43 2doc n GLY 4 Ca -0.05 -1.37 -0.33 0.00 0.00 0.00 0.00 46.02 44.26 2doc n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2doc s SER 5 N 0.00 4.75 -0.65 1.61 1.04 -1.26 -4.75 113.70 114.44 2doc s SER 5 Ca 0.00 0.51 0.05 0.00 0.48 0.00 0.00 55.95 56.99 2doc s SER 5 Cb 0.00 -2.52 0.17 0.00 0.10 0.00 0.00 66.02 63.77 2doc s SER 5 CO 0.00 -2.80 0.47 -1.20 0.98 0.00 0.00 173.24 170.70 2doc n SER 6 N 14.87 2.39 0.00 7.02 7.64 -1.26 -5.07 113.62 139.21 2doc n SER 6 Ca 0.32 -3.06 0.00 0.00 1.01 0.00 0.00 58.87 57.14 2doc n SER 6 Cb 0.52 -0.72 0.00 0.00 -1.01 0.00 0.00 64.21 63.00 2doc n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2doc n GLY 7 N 2.10 2.27 1.41 0.23 0.00 -1.26 -1.41 105.19 108.53 2doc n GLY 7 Ca 0.22 -0.33 0.05 0.00 0.00 0.00 0.00 46.02 45.96 2doc n GLY 7 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2doc n GLN 8 N 14.00 3.55 -2.10 1.61 0.00 -1.26 -4.16 117.38 129.02 2doc n GLN 8 Ca 0.00 -2.08 -0.23 0.00 0.00 0.00 0.00 57.00 54.69 2doc n GLN 8 Cb 0.00 -1.99 0.02 0.00 0.00 0.00 0.00 30.24 28.26 2doc n GLN 8 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.06 176.21 2doc n GLU 9 N 0.43 3.53 -0.07 2.61 0.28 -0.50 -4.51 120.64 122.40 2doc n GLU 9 Ca 0.18 -4.18 -0.22 0.00 -0.16 0.00 0.00 57.16 52.78 2doc n GLU 9 Cb 0.87 -2.25 -0.12 0.00 1.43 0.00 0.00 31.44 31.36 2doc n GLU 9 CO 0.00 0.00 0.00 2.48 -0.16 0.00 0.00 177.13 179.45 2doc n TYR 10 N -0.68 0.76 0.00 -1.84 4.11 -1.24 -4.68 117.16 113.60 2doc n TYR 10 Ca 0.42 0.23 0.00 0.00 -0.00 0.00 0.00 57.90 58.55 2doc n TYR 10 Cb 0.93 -1.09 0.00 0.00 -0.00 0.00 0.00 39.34 39.18 2doc n TYR 10 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 176.86 175.97 2doc n ILE 11 N -3.83 0.00 0.17 -3.48 2.08 -1.26 -4.65 119.36 108.39 2doc n ILE 11 Ca -0.38 0.00 0.16 0.00 0.56 0.00 0.00 62.75 63.08 2doc n ILE 11 Cb 0.91 -0.45 0.55 0.00 -0.75 0.00 0.00 39.64 39.90 2doc n ILE 11 CO 0.00 0.00 0.00 -0.07 0.56 0.00 0.00 176.55 177.04 2doc h LEU 12 N 0.00 0.00 0.02 1.39 3.38 -1.89 1.20 115.31 119.42 2doc h LEU 12 Ca 0.00 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.69 2doc h LEU 12 Cb 0.59 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.31 2doc h LEU 12 CO 0.00 0.00 -1.55 0.00 0.09 0.00 0.00 178.44 176.98 2doc h ALA 13 N 0.94 0.60 -0.42 1.53 0.00 -1.83 -3.32 119.26 116.76 2doc h ALA 13 Ca 0.14 -1.30 0.00 0.00 0.00 0.00 0.00 54.91 53.75 2doc h ALA 13 Cb 1.47 0.34 0.00 0.00 0.00 0.00 0.00 17.79 19.60 2doc h ALA 13 CO -0.00 1.44 0.00 1.28 0.00 0.00 0.00 179.25 181.97 2doc n LEU 14 N -3.19 3.45 -4.61 0.00 4.77 0.35 -4.94 117.00 112.84 2doc n LEU 14 Ca -0.14 -1.51 -0.43 0.00 -0.03 0.00 0.00 56.01 53.90 2doc n LEU 14 Cb 1.03 -0.27 -0.03 0.00 -2.33 0.00 0.00 43.42 41.82 2doc n LEU 14 CO 0.46 0.75 1.79 0.00 -1.33 0.00 0.00 177.39 179.07 2doc s ALA 15 N -1.46 2.86 0.00 -1.18 0.00 0.21 -4.85 121.76 117.34 2doc s ALA 15 Ca 0.40 0.83 0.00 0.00 0.00 0.00 0.00 51.96 53.19 2doc s ALA 15 Cb 0.23 -4.04 0.00 0.00 0.00 0.00 0.00 23.12 19.31 2doc s ALA 15 CO 0.32 -2.60 0.00 -0.40 0.00 0.00 0.00 175.76 173.08 2doc n ASP 16 N 10.98 0.00 -3.60 0.00 5.75 -1.25 -4.98 116.55 123.45 2doc n ASP 16 Ca 0.28 0.00 -0.05 0.00 -0.01 0.00 0.00 54.79 55.01 2doc n ASP 16 Cb 0.44 -0.19 -0.02 0.00 -1.03 0.00 0.00 41.12 40.32 2doc n ASP 16 CO 0.00 0.00 0.00 0.68 -0.11 0.00 0.00 177.20 177.77 2doc s VAL 17 N -0.49 0.00 0.39 2.12 -7.23 -1.26 -4.35 120.40 109.59 2doc s VAL 17 Ca 0.00 0.00 -0.26 0.00 -1.81 0.00 0.00 61.98 59.91 2doc s VAL 17 Cb 0.00 -1.00 -0.09 0.00 0.56 0.00 0.00 36.38 35.85 2doc s VAL 17 CO 0.00 0.00 1.19 -2.16 -0.31 0.00 0.00 175.10 173.82 2doc s PRO 18 N -2.21 4.08 0.72 4.82 0.04 -1.26 -2.68 135.00 138.52 2doc s PRO 18 Ca 0.09 1.90 -0.12 0.00 0.04 0.00 0.00 61.00 62.91 2doc s PRO 18 Cb -0.01 -2.73 0.03 0.00 0.04 0.00 0.00 34.50 31.83 2doc s PRO 18 CO -0.05 -0.31 1.09 -1.12 0.04 0.00 0.00 177.00 176.65 2doc s SER 19 N -1.03 4.87 0.33 6.66 0.01 -1.07 -4.17 113.70 119.29 2doc s SER 19 Ca 0.56 1.82 -0.28 0.00 1.31 0.00 0.00 55.95 59.36 2doc s SER 19 Cb -0.32 -2.52 -0.13 0.00 0.21 0.00 0.00 66.02 63.26 2doc s SER 19 CO 0.41 -1.79 1.27 -1.54 0.41 0.00 0.00 173.24 172.00 2doc n SER 20 N -3.13 2.63 -4.73 2.44 3.41 -1.26 -4.65 113.62 108.33 2doc n SER 20 Ca 0.09 1.20 -0.30 0.00 -0.26 0.00 0.00 58.87 59.60 2doc n SER 20 Cb 0.53 -1.46 0.13 0.00 -0.26 0.00 0.00 64.21 63.14 2doc n SER 20 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 2doc s PRO 21 N -1.76 1.51 0.22 4.33 0.04 -1.26 -4.61 135.00 133.48 2doc s PRO 21 Ca 0.56 0.91 0.00 0.00 0.04 0.00 0.00 61.00 62.52 2doc s PRO 21 Cb -0.59 -1.83 -0.04 0.00 0.04 0.00 0.00 34.50 32.08 2doc s PRO 21 CO 0.61 -2.09 0.13 1.52 0.04 0.00 0.00 177.00 177.22 2doc s TYR 22 N -2.93 1.29 0.00 0.56 1.13 -1.21 -4.82 117.35 111.38 2doc s TYR 22 Ca 0.63 -1.36 0.00 0.00 -1.41 0.00 0.00 57.07 54.93 2doc s TYR 22 Cb -0.18 -0.65 0.00 0.00 -1.10 0.00 0.00 41.96 40.03 2doc s TYR 22 CO 0.57 -0.59 0.00 0.41 -2.51 0.00 0.00 175.55 173.43 2doc n GLY 23 N -0.35 0.50 3.72 5.49 0.00 -1.26 -0.13 105.19 113.17 2doc n GLY 23 Ca 0.02 -0.11 -0.43 0.00 0.00 0.00 0.00 46.02 45.51 2doc n GLY 23 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2doc n VAL 24 N -2.97 0.25 -3.64 1.61 0.31 -1.26 -4.27 118.33 108.36 2doc n VAL 24 Ca 0.00 -0.06 -0.08 0.00 -0.01 0.00 0.00 64.34 64.19 2doc n VAL 24 Cb 0.00 -1.92 -0.07 0.00 -0.91 0.00 0.00 33.84 30.94 2doc n VAL 24 CO 0.00 0.00 0.00 -1.59 -1.32 0.00 0.00 176.83 173.92 2doc s LYS 25 N 0.74 0.49 -0.57 5.55 0.00 -0.35 -4.97 119.74 120.63 2doc s LYS 25 Ca 0.73 0.63 -0.24 0.00 0.00 0.00 0.00 55.97 57.09 2doc s LYS 25 Cb -0.53 0.22 0.04 0.00 0.00 0.00 0.00 37.83 37.56 2doc s LYS 25 CO 0.37 -0.07 0.98 0.42 0.00 0.00 0.00 175.35 177.05 2doc s ILE 26 N 0.46 4.32 0.01 3.79 -1.09 -1.26 -0.76 121.20 126.68 2doc s ILE 26 Ca 0.01 0.28 -0.16 0.00 -2.23 0.00 0.00 60.65 58.55 2doc s ILE 26 Cb -0.05 -4.58 -0.35 0.00 -1.58 0.00 0.00 42.46 35.90 2doc s ILE 26 CO -0.08 -1.20 0.95 0.16 -1.23 0.00 0.00 174.94 173.54 2doc h ILE 27 N 6.03 1.25 -3.64 2.92 3.07 -1.91 -3.42 117.51 121.81 2doc h ILE 27 Ca -0.26 -2.67 -0.67 0.00 1.55 0.00 0.00 64.86 62.82 2doc h ILE 27 Cb 1.07 3.02 -0.39 0.00 -0.27 0.00 0.00 36.82 40.25 2doc h ILE 27 CO 1.11 0.81 -0.68 -1.61 -1.05 0.00 0.00 178.15 176.73 2doc s GLU 28 N -2.59 1.60 -0.19 0.16 2.02 -1.25 -5.04 118.70 113.41 2doc s GLU 28 Ca -0.10 -1.91 -0.05 0.00 0.02 0.00 0.00 54.97 52.93 2doc s GLU 28 Cb 0.04 -3.29 -0.03 0.00 0.10 0.00 0.00 34.13 30.96 2doc s GLU 28 CO 0.93 -0.97 -0.00 -1.17 0.02 0.00 0.00 175.26 174.07 2doc s LEU 29 N 0.89 3.32 0.00 1.80 2.96 -1.26 -0.29 118.68 126.09 2doc s LEU 29 Ca 0.11 -0.15 0.00 0.00 -0.22 0.00 0.00 54.13 53.87 2doc s LEU 29 Cb -0.20 -1.83 -0.00 0.00 0.50 0.00 0.00 46.19 44.66 2doc s LEU 29 CO -0.07 0.11 0.01 -1.20 -1.32 0.00 0.00 176.35 173.88 2doc n SER 30 N 3.96 3.28 0.18 3.68 7.64 0.10 -4.75 113.62 127.70 2doc n SER 30 Ca -0.17 -3.23 0.12 0.00 1.01 0.00 0.00 58.87 56.60 2doc n SER 30 Cb 0.52 0.40 0.23 0.00 -1.01 0.00 0.00 64.21 64.35 2doc n SER 30 CO 0.00 0.00 0.00 0.06 -3.01 0.00 0.00 175.04 172.09 2doc h GLN 31 N 0.00 0.00 0.00 1.43 -0.00 -1.89 0.07 115.11 114.72 2doc h GLN 31 Ca -0.42 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.23 2doc h GLN 31 Cb 1.27 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.75 2doc h GLN 31 CO 0.69 0.00 -0.73 0.25 -0.00 0.00 0.00 178.83 179.04 2doc n THR 32 N -2.81 0.00 -4.29 1.86 -2.24 -1.26 -2.42 114.28 103.12 2doc n THR 32 Ca 0.04 0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.59 2doc n THR 32 Cb 0.50 -0.72 -0.08 0.00 -2.10 0.00 0.00 70.33 67.94 2doc n THR 32 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2doc s THR 33 N -1.73 3.10 -0.27 4.28 -4.23 -1.26 -2.57 115.64 112.96 2doc s THR 33 Ca 0.00 -1.94 -0.06 0.00 -1.18 0.00 0.00 61.69 58.52 2doc s THR 33 Cb 0.00 -2.81 0.14 0.00 1.34 0.00 0.00 72.50 71.17 2doc s THR 33 CO 0.00 -0.30 0.54 0.00 -0.54 0.00 0.00 174.62 174.32 2doc s ALA 34 N -2.40 -1.76 -0.09 3.99 0.00 -0.82 0.02 121.76 120.69 2doc s ALA 34 Ca 0.33 1.81 -0.14 0.00 0.00 0.00 0.00 51.96 53.96 2doc s ALA 34 Cb -0.04 -1.76 -0.05 0.00 0.00 0.00 0.00 23.12 21.27 2doc s ALA 34 CO 0.20 -1.05 0.33 0.21 0.00 0.00 0.00 175.76 175.45 2doc s LYS 35 N 2.77 4.01 -0.21 0.00 2.20 0.60 -0.84 119.74 128.27 2doc s LYS 35 Ca 0.05 0.22 0.02 0.00 -0.36 0.00 0.00 55.97 55.89 2doc s LYS 35 Cb -0.13 -3.31 0.04 0.00 -1.51 0.00 0.00 37.83 32.91 2doc s LYS 35 CO -0.18 0.49 -0.15 0.54 -0.36 0.00 0.00 175.35 175.69 2doc s VAL 36 N -0.33 1.98 -0.21 4.02 0.11 -0.80 -3.23 120.40 121.94 2doc s VAL 36 Ca 0.20 -1.16 -0.06 0.00 -2.93 0.00 0.00 61.98 58.02 2doc s VAL 36 Cb -0.14 -1.94 -0.03 0.00 -1.53 0.00 0.00 36.38 32.73 2doc s VAL 36 CO 0.08 0.27 0.04 -0.55 -3.33 0.00 0.00 175.10 171.61 2doc s SER 37 N 1.26 5.19 0.37 3.54 0.15 0.06 -3.22 113.70 121.06 2doc s SER 37 Ca -0.01 -0.11 0.04 0.00 0.70 0.00 0.00 55.95 56.57 2doc s SER 37 Cb -0.16 -1.90 -0.02 0.00 -1.71 0.00 0.00 66.02 62.23 2doc s SER 37 CO -0.09 0.07 0.15 2.22 1.20 0.00 0.00 173.24 176.79 2doc n PHE 38 N 4.22 0.05 -4.46 3.44 -1.74 -0.65 -1.21 117.46 117.11 2doc n PHE 38 Ca -0.17 -2.46 -0.25 0.00 -0.56 0.00 0.00 57.45 54.02 2doc n PHE 38 Cb 0.52 0.02 -0.10 0.00 1.52 0.00 0.00 39.48 41.43 2doc n PHE 38 CO 0.00 0.00 0.00 -0.80 -0.56 0.00 0.00 176.76 175.40 2doc s ASN 39 N -3.32 3.58 0.78 5.98 0.01 0.82 -4.72 114.94 118.07 2doc s ASN 39 Ca 0.21 -0.99 -0.15 0.00 -0.71 0.00 0.00 52.86 51.23 2doc s ASN 39 Cb 0.01 -0.30 0.04 0.00 0.41 0.00 0.00 41.25 41.40 2doc s ASN 39 CO 0.15 0.06 1.00 0.29 -1.51 0.00 0.00 177.10 177.08 2doc n LYS 40 N -0.44 0.30 -2.23 -0.60 5.02 -1.26 -3.34 118.16 115.60 2doc n LYS 40 Ca -0.07 0.17 -0.41 0.00 -2.02 0.00 0.00 58.31 55.98 2doc n LYS 40 Cb 0.59 -2.26 -0.03 0.00 -0.02 0.00 0.00 35.03 33.31 2doc n LYS 40 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2doc s PRO 41 N -3.65 4.40 0.59 1.97 0.04 -1.26 -4.44 135.00 132.66 2doc s PRO 41 Ca 0.72 2.04 0.29 0.00 0.04 0.00 0.00 61.00 64.08 2doc s PRO 41 Cb -0.31 -3.19 1.38 0.00 0.04 0.00 0.00 34.50 32.42 2doc s PRO 41 CO 0.52 -0.22 1.78 0.38 0.04 0.00 0.00 177.00 179.50 2doc h ASP 42 N 5.20 0.00 -5.28 6.66 3.04 -1.87 -3.41 116.42 120.75 2doc h ASP 42 Ca -0.45 0.00 -0.13 0.00 -3.24 0.00 0.00 57.03 53.21 2doc h ASP 42 Cb 1.21 0.00 -0.15 0.00 -1.04 0.00 0.00 39.33 39.36 2doc h ASP 42 CO 0.76 0.00 -0.66 -0.44 -2.04 0.00 0.00 179.24 176.86 2doc s SER 43 N -4.85 0.43 0.17 4.15 0.01 -1.26 -5.09 113.70 107.26 2doc s SER 43 Ca -0.04 -1.04 0.07 0.00 1.31 0.00 0.00 55.95 56.26 2doc s SER 43 Cb 0.15 0.23 -0.04 0.00 0.21 0.00 0.00 66.02 66.57 2doc s SER 43 CO 0.54 -0.64 -0.15 -1.38 0.41 0.00 0.00 173.24 172.02 2doc s HIS 44 N -3.95 1.62 -0.83 2.43 -3.43 -1.26 -2.61 115.29 107.26 2doc s HIS 44 Ca 0.11 -0.56 -0.07 0.00 -0.80 0.00 0.00 55.06 53.74 2doc s HIS 44 Cb 0.08 -0.79 -0.13 0.00 -1.43 0.00 0.00 32.58 30.31 2doc s HIS 44 CO -0.07 0.28 2.79 0.41 -2.00 0.00 0.00 174.74 176.14 2doc n GLY 45 N 0.00 3.35 5.00 -1.38 0.00 -1.09 -4.63 105.19 106.44 2doc n GLY 45 Ca -0.11 -1.14 0.00 0.00 0.00 0.00 0.00 46.02 44.77 2doc n GLY 45 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2doc n GLY 46 N 3.25 1.21 3.93 -0.02 0.00 -1.26 -3.81 105.19 108.49 2doc n GLY 46 Ca 0.54 -0.01 -0.27 0.00 0.00 0.00 0.00 46.02 46.28 2doc n GLY 46 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2doc s VAL 47 N 0.00 5.14 0.06 1.61 -7.23 -1.26 -4.98 120.40 113.73 2doc s VAL 47 Ca 0.00 -0.29 -0.31 0.00 -1.81 0.00 0.00 61.98 59.57 2doc s VAL 47 Cb 0.00 -3.76 -0.07 0.00 0.56 0.00 0.00 36.38 33.11 2doc s VAL 47 CO 0.00 -0.29 1.41 -2.16 -0.31 0.00 0.00 175.10 173.74 2doc s PRO 48 N -3.60 4.30 0.86 4.82 0.04 -1.26 -4.88 135.00 135.28 2doc s PRO 48 Ca 0.40 2.03 -0.14 0.00 0.04 0.00 0.00 61.00 63.33 2doc s PRO 48 Cb -0.11 -3.43 -0.00 0.00 0.04 0.00 0.00 34.50 31.00 2doc s PRO 48 CO 0.31 -0.51 0.38 -0.89 0.04 0.00 0.00 177.00 176.32 2doc n ILE 49 N 4.33 0.70 -0.02 0.56 5.41 -1.26 -4.50 119.36 124.58 2doc n ILE 49 Ca 0.12 -0.29 -0.02 0.00 1.00 0.00 0.00 62.75 63.56 2doc n ILE 49 Cb 0.43 -0.63 -0.02 0.00 -0.71 0.00 0.00 39.64 38.72 2doc n ILE 49 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 176.55 177.96 2doc n HIS 50 N -3.05 0.00 -3.65 1.39 8.25 -1.08 -4.96 115.22 112.13 2doc n HIS 50 Ca 0.07 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.46 2doc n HIS 50 Cb 0.52 -0.13 0.01 0.00 1.12 0.00 0.00 29.99 31.51 2doc n HIS 50 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2doc n HIS 51 N -2.55 -1.62 -4.76 4.41 1.44 -1.14 -3.79 115.22 107.21 2doc n HIS 51 Ca -0.06 -1.33 -0.24 0.00 -2.01 0.00 0.00 57.72 54.08 2doc n HIS 51 Cb 0.56 0.52 -0.15 0.00 0.12 0.00 0.00 29.99 31.04 2doc n HIS 51 CO 0.00 0.00 0.00 0.71 -2.81 0.00 0.00 176.34 174.24 2doc s TYR 52 N -4.24 1.46 -0.26 -1.40 2.02 -1.26 -2.29 117.35 111.38 2doc s TYR 52 Ca 0.13 -0.30 -0.10 0.00 -0.37 0.00 0.00 57.07 56.43 2doc s TYR 52 Cb -0.02 -0.95 -0.05 0.00 -0.40 0.00 0.00 41.96 40.54 2doc s TYR 52 CO 0.10 -0.05 0.16 -1.14 -1.57 0.00 0.00 175.55 173.05 2doc s GLN 53 N -0.29 3.92 -0.05 -0.62 0.74 -0.43 -3.95 119.66 118.98 2doc s GLN 53 Ca 0.04 -0.34 0.05 0.00 0.05 0.00 0.00 55.36 55.17 2doc s GLN 53 Cb -0.07 -3.56 -0.02 0.00 1.10 0.00 0.00 33.01 30.46 2doc s GLN 53 CO -0.00 -0.12 -0.21 0.08 -0.55 0.00 0.00 175.29 174.49 2doc s VAL 54 N 1.55 2.45 -0.08 1.34 1.01 -1.20 -1.69 120.40 123.78 2doc s VAL 54 Ca 0.07 -0.94 -0.01 0.00 0.00 0.00 0.00 61.98 61.09 2doc s VAL 54 Cb -0.15 -1.91 0.03 0.00 0.00 0.00 0.00 36.38 34.34 2doc s VAL 54 CO 0.08 0.58 -0.00 -0.62 0.00 0.00 0.00 175.10 175.13 2doc s ASP 55 N -0.44 1.72 0.08 3.32 -1.08 -1.11 -0.18 116.67 118.97 2doc s ASP 55 Ca 0.05 -0.15 0.08 0.00 -0.52 0.00 0.00 52.55 52.02 2doc s ASP 55 Cb -0.12 -0.48 -0.03 0.00 -1.46 0.00 0.00 42.92 40.83 2doc s ASP 55 CO 0.01 -0.19 -0.22 0.54 0.52 0.00 0.00 175.17 175.83 2doc s VAL 56 N 1.94 1.81 -0.20 1.11 0.11 -0.13 -2.04 120.40 123.00 2doc s VAL 56 Ca 0.05 -1.44 -0.29 0.00 -2.93 0.00 0.00 61.98 57.36 2doc s VAL 56 Cb -0.13 -1.60 0.13 0.00 -1.53 0.00 0.00 36.38 33.25 2doc s VAL 56 CO -0.06 0.08 1.04 -0.75 -3.33 0.00 0.00 175.10 172.09 2doc s LYS 57 N -1.63 0.53 0.51 1.54 2.20 -0.83 -1.28 119.74 120.77 2doc s LYS 57 Ca 0.08 0.23 -0.22 0.00 -0.36 0.00 0.00 55.97 55.70 2doc s LYS 57 Cb -0.10 0.25 -0.07 0.00 -1.51 0.00 0.00 37.83 36.41 2doc s LYS 57 CO 0.03 -0.14 1.23 0.39 -0.36 0.00 0.00 175.35 176.50 2doc n GLU 58 N 1.05 1.59 0.00 4.03 1.02 -1.26 -0.30 120.64 126.77 2doc n GLU 58 Ca -0.10 0.58 0.02 0.00 -0.02 0.00 0.00 57.16 57.64 2doc n GLU 58 Cb 0.57 -2.40 0.10 0.00 -0.02 0.00 0.00 31.44 29.70 2doc n GLU 58 CO 0.00 0.00 0.00 1.55 1.18 0.00 0.00 177.13 179.86 2doc n VAL 59 N -0.88 1.29 -0.06 2.62 3.14 -1.20 -2.22 118.33 121.03 2doc n VAL 59 Ca 0.10 0.32 -0.07 0.00 -2.96 0.00 0.00 64.34 61.73 2doc n VAL 59 Cb 0.43 -1.25 -0.06 0.00 -1.06 0.00 0.00 33.84 31.90 2doc n VAL 59 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2doc n ALA 60 N -1.38 1.75 -0.39 1.55 0.00 -1.26 -5.04 120.51 115.74 2doc n ALA 60 Ca 0.02 -0.54 -0.29 0.00 0.00 0.00 0.00 53.44 52.63 2doc n ALA 60 Cb 0.04 0.18 0.28 0.00 0.00 0.00 0.00 19.45 19.95 2doc n ALA 60 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2doc s SER 61 N -4.90 -0.06 0.00 0.00 0.15 -0.94 -4.99 113.70 102.96 2doc s SER 61 Ca -0.13 1.31 0.00 0.00 0.70 0.00 0.00 55.95 57.83 2doc s SER 61 Cb 0.04 -2.00 0.00 0.00 -1.71 0.00 0.00 66.02 62.35 2doc s SER 61 CO 0.30 -4.81 0.00 -0.62 1.20 0.00 0.00 173.24 169.31 2doc n GLU 62 N -5.31 1.39 -2.85 5.44 -0.58 -1.26 -4.80 120.64 112.66 2doc n GLU 62 Ca 0.05 0.00 -0.42 0.00 -0.42 0.00 0.00 57.16 56.38 2doc n GLU 62 Cb 0.56 -0.88 -0.04 0.00 -0.57 0.00 0.00 31.44 30.51 2doc n GLU 62 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 2doc s ILE 63 N -1.58 4.85 -0.17 -3.67 1.09 -1.26 -5.03 121.20 115.43 2doc s ILE 63 Ca 0.00 1.69 -0.18 0.00 -1.10 0.00 0.00 60.65 61.06 2doc s ILE 63 Cb 0.00 -4.16 -0.04 0.00 -1.06 0.00 0.00 42.46 37.20 2doc s ILE 63 CO 0.00 -0.01 0.48 0.26 -0.10 0.00 0.00 174.94 175.57 2doc s TRP 64 N 2.37 3.43 -0.25 3.97 0.52 -1.26 -4.73 118.94 122.99 2doc s TRP 64 Ca 0.39 0.79 -0.14 0.00 0.02 0.00 0.00 56.10 57.16 2doc s TRP 64 Cb -0.16 -2.60 -0.04 0.00 -1.15 0.00 0.00 33.47 29.52 2doc s TRP 64 CO 0.11 0.02 0.32 0.15 0.02 0.00 0.00 176.95 177.58 2doc s LYS 65 N 1.18 4.04 -0.12 4.98 -0.14 -0.41 -4.94 119.74 124.34 2doc s LYS 65 Ca 0.24 -0.02 -0.15 0.00 -1.36 0.00 0.00 55.97 54.68 2doc s LYS 65 Cb -0.15 -3.62 -0.05 0.00 -1.68 0.00 0.00 37.83 32.33 2doc s LYS 65 CO 0.10 -0.18 0.37 0.42 -0.76 0.00 0.00 175.35 175.30 2doc s ILE 66 N 1.76 5.23 -0.27 2.17 -1.09 -1.26 -0.96 121.20 126.78 2doc s ILE 66 Ca 0.14 0.72 -0.00 0.00 -2.23 0.00 0.00 60.65 59.27 2doc s ILE 66 Cb -0.15 -3.70 0.08 0.00 -1.58 0.00 0.00 42.46 37.11 2doc s ILE 66 CO 0.09 0.41 0.03 -0.69 -1.23 0.00 0.00 174.94 173.56 2doc s VAL 67 N 0.18 1.15 0.40 2.92 1.01 0.74 -5.00 120.40 121.80 2doc s VAL 67 Ca 0.21 -1.27 -0.11 0.00 0.00 0.00 0.00 61.98 60.81 2doc s VAL 67 Cb -0.14 -1.68 -0.07 0.00 0.00 0.00 0.00 36.38 34.49 2doc s VAL 67 CO 0.08 -0.40 0.76 -0.13 0.00 0.00 0.00 175.10 175.41 2doc s ARG 68 N 1.52 3.79 0.77 2.72 0.52 -1.26 -3.26 118.95 123.75 2doc s ARG 68 Ca 0.03 0.47 -0.01 0.00 -0.52 0.00 0.00 55.73 55.70 2doc s ARG 68 Cb -0.18 -2.40 0.15 0.00 0.52 0.00 0.00 34.95 33.05 2doc s ARG 68 CO -0.14 -0.02 1.05 -1.54 0.02 0.00 0.00 175.30 174.67 2doc s SER 69 N -3.10 4.08 -0.53 0.23 1.04 -1.25 -5.02 113.70 109.15 2doc s SER 69 Ca 0.51 -0.47 0.02 0.00 0.48 0.00 0.00 55.95 56.49 2doc s SER 69 Cb -0.10 0.23 0.44 0.00 0.10 0.00 0.00 66.02 66.68 2doc s SER 69 CO 0.30 -2.06 1.63 1.41 0.98 0.00 0.00 173.24 175.50 2doc n HIS 70 N -2.96 3.05 -1.31 5.02 8.25 -1.26 -4.96 115.22 121.05 2doc n HIS 70 Ca 0.17 -2.66 0.00 0.00 -0.26 0.00 0.00 57.72 54.96 2doc n HIS 70 Cb 0.61 -0.87 0.00 0.00 1.12 0.00 0.00 29.99 30.85 2doc n HIS 70 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2doc n GLY 71 N -0.74 0.31 1.75 -1.41 0.00 -1.26 -4.89 105.19 98.95 2doc n GLY 71 Ca 0.52 -1.48 -0.15 0.00 0.00 0.00 0.00 46.02 44.91 2doc n GLY 71 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2doc n VAL 72 N 9.00 2.39 -3.10 1.61 0.24 -1.25 -4.41 118.33 122.81 2doc n VAL 72 Ca 0.00 -1.24 -0.36 0.00 -2.04 0.00 0.00 64.34 60.70 2doc n VAL 72 Cb 0.00 -0.80 -0.06 0.00 -1.47 0.00 0.00 33.84 31.51 2doc n VAL 72 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2doc s GLN 73 N -1.95 4.22 -0.16 7.34 -2.07 -1.26 -4.98 119.66 120.81 2doc s GLN 73 Ca 0.34 0.85 0.16 0.00 -1.82 0.00 0.00 55.36 54.88 2doc s GLN 73 Cb 0.28 -2.82 0.66 0.00 -1.09 0.00 0.00 33.01 30.03 2doc s GLN 73 CO 0.05 0.36 1.57 0.25 -1.32 0.00 0.00 175.29 176.20 2doc n THR 74 N 0.58 2.17 -4.02 3.63 -2.24 -1.26 -4.76 114.28 108.38 2doc n THR 74 Ca -0.02 -1.45 -0.27 0.00 -2.27 0.00 0.00 64.05 60.05 2doc n THR 74 Cb 0.51 -0.07 -0.17 0.00 -2.10 0.00 0.00 70.33 68.50 2doc n THR 74 CO 0.00 0.00 0.00 -0.32 -0.57 0.00 0.00 175.07 174.18 2doc s MET 75 N -2.34 1.59 -0.03 -0.78 -2.45 -1.26 -1.64 119.30 112.39 2doc s MET 75 Ca 0.47 -0.29 -0.06 0.00 -1.25 0.00 0.00 55.69 54.56 2doc s MET 75 Cb 0.34 -1.58 0.01 0.00 1.25 0.00 0.00 34.83 34.84 2doc s MET 75 CO 0.16 -0.22 0.13 0.08 1.05 0.00 0.00 175.02 176.23 2doc s VAL 76 N 1.53 0.04 -0.15 10.11 1.01 -1.20 -5.01 120.40 126.73 2doc s VAL 76 Ca 0.02 -0.35 -0.07 0.00 0.00 0.00 0.00 61.98 61.58 2doc s VAL 76 Cb -0.13 -0.31 -0.04 0.00 0.00 0.00 0.00 36.38 35.90 2doc s VAL 76 CO -0.06 -0.19 0.09 0.54 0.00 0.00 0.00 175.10 175.47 2doc s VAL 77 N -0.64 5.02 0.06 2.92 0.11 -1.26 -1.89 120.40 124.72 2doc s VAL 77 Ca -0.07 0.04 -0.05 0.00 -2.93 0.00 0.00 61.98 58.97 2doc s VAL 77 Cb -0.04 -3.22 -0.05 0.00 -1.53 0.00 0.00 36.38 31.54 2doc s VAL 77 CO 0.01 0.53 0.29 -0.76 -3.33 0.00 0.00 175.10 171.84 2doc s LEU 78 N -0.24 4.34 0.00 2.54 1.43 -0.02 -4.92 118.68 121.81 2doc s LEU 78 Ca 0.09 0.51 0.05 0.00 -1.03 0.00 0.00 54.13 53.75 2doc s LEU 78 Cb -0.12 -2.93 -0.02 0.00 0.03 0.00 0.00 46.19 43.15 2doc s LEU 78 CO 0.01 0.17 0.19 -0.46 0.23 0.00 0.00 176.35 176.50 2doc n ASN 79 N 0.63 0.50 -3.26 2.29 0.23 -1.26 -1.94 115.26 112.44 2doc n ASN 79 Ca -0.07 -3.13 -0.16 0.00 -0.53 0.00 0.00 54.58 50.69 2doc n ASN 79 Cb 0.52 1.24 0.08 0.00 -2.08 0.00 0.00 39.78 39.54 2doc n ASN 79 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 2doc n ASN 80 N -1.61 -2.96 -4.21 0.53 3.02 -1.26 -4.98 115.26 103.80 2doc n ASN 80 Ca -0.01 -0.60 -0.25 0.00 -0.03 0.00 0.00 54.58 53.69 2doc n ASN 80 Cb 0.60 -4.89 -0.14 0.00 -0.61 0.00 0.00 39.78 34.73 2doc n ASN 80 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2doc s LEU 81 N -5.93 2.12 0.23 3.41 1.43 -1.06 -5.10 118.68 113.78 2doc s LEU 81 Ca 0.09 -0.44 -0.25 0.00 -1.03 0.00 0.00 54.13 52.51 2doc s LEU 81 Cb -0.01 -0.91 -0.09 0.00 0.03 0.00 0.00 46.19 45.21 2doc s LEU 81 CO 0.69 0.17 0.83 -1.61 0.23 0.00 0.00 176.35 176.66 2doc s GLU 82 N -0.88 4.53 0.77 1.70 2.02 -1.26 -4.30 118.70 121.28 2doc s GLU 82 Ca 0.07 1.18 -0.11 0.00 0.02 0.00 0.00 54.97 56.12 2doc s GLU 82 Cb -0.08 -3.04 0.05 0.00 0.10 0.00 0.00 34.13 31.17 2doc s GLU 82 CO 0.01 0.44 1.09 -1.25 0.02 0.00 0.00 175.26 175.57 2doc s PRO 83 N -1.62 2.27 -1.52 0.39 0.04 -1.02 -3.56 135.00 129.98 2doc s PRO 83 Ca 0.42 1.19 -0.14 0.00 0.04 0.00 0.00 61.00 62.51 2doc s PRO 83 Cb -0.21 -1.90 0.11 0.00 0.04 0.00 0.00 34.50 32.55 2doc s PRO 83 CO 0.25 -1.64 0.75 0.09 0.04 0.00 0.00 177.00 176.49 2doc n ASN 84 N -3.47 -3.88 -4.21 6.66 4.13 -1.19 -4.90 115.26 108.41 2doc n ASN 84 Ca 0.09 -0.74 -0.15 0.00 1.68 0.00 0.00 54.58 55.46 2doc n ASN 84 Cb 0.53 -3.16 -0.11 0.00 -1.54 0.00 0.00 39.78 35.50 2doc n ASN 84 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 2doc s THR 85 N -3.16 1.07 -0.02 3.41 2.01 -1.23 -4.98 115.64 112.73 2doc s THR 85 Ca 0.61 -1.80 0.01 0.00 0.31 0.00 0.00 61.69 60.82 2doc s THR 85 Cb -0.33 -1.56 -0.03 0.00 0.01 0.00 0.00 72.50 70.59 2doc s THR 85 CO 0.76 -0.61 -0.02 -0.89 -0.69 0.00 0.00 174.62 173.16 2doc s THR 86 N -2.74 4.00 0.01 -0.82 2.01 -1.26 -0.87 115.64 115.96 2doc s THR 86 Ca 0.10 -0.58 -0.00 0.00 0.31 0.00 0.00 61.69 61.52 2doc s THR 86 Cb -0.01 -2.74 -0.01 0.00 0.01 0.00 0.00 72.50 69.75 2doc s THR 86 CO 0.00 0.44 -0.01 -0.31 -0.69 0.00 0.00 174.62 174.05 2doc s TYR 87 N -1.00 0.10 -0.26 4.92 1.51 -0.32 -3.26 117.35 119.03 2doc s TYR 87 Ca 0.17 -0.19 -0.10 0.00 -1.01 0.00 0.00 57.07 55.94 2doc s TYR 87 Cb -0.11 -0.07 -0.05 0.00 -0.11 0.00 0.00 41.96 41.62 2doc s TYR 87 CO 0.07 -0.07 0.16 -1.21 -1.11 0.00 0.00 175.55 173.39 2doc s GLU 88 N -0.55 3.93 0.17 -0.62 2.02 0.59 -1.68 118.70 122.56 2doc s GLU 88 Ca -0.06 -0.34 0.10 0.00 0.02 0.00 0.00 54.97 54.69 2doc s GLU 88 Cb -0.04 -3.57 -0.04 0.00 0.10 0.00 0.00 34.13 30.58 2doc s GLU 88 CO -0.00 -0.12 -0.18 -1.50 0.02 0.00 0.00 175.26 173.47 2doc s ILE 89 N 1.56 2.72 -0.04 -1.63 2.07 0.14 -1.97 121.20 124.05 2doc s ILE 89 Ca 0.07 -1.81 -0.03 0.00 -1.41 0.00 0.00 60.65 57.47 2doc s ILE 89 Cb -0.15 -2.31 0.02 0.00 0.13 0.00 0.00 42.46 40.14 2doc s ILE 89 CO 0.08 -0.07 0.10 0.00 -1.91 0.00 0.00 174.94 173.14 2doc s ARG 90 N -2.63 0.10 -0.14 3.50 1.70 -0.86 0.09 118.95 120.70 2doc s ARG 90 Ca 0.22 0.18 -0.04 0.00 -0.47 0.00 0.00 55.73 55.62 2doc s ARG 90 Cb -0.09 -0.01 -0.03 0.00 -0.57 0.00 0.00 34.95 34.25 2doc s ARG 90 CO 0.12 -0.05 -0.02 0.08 -1.08 0.00 0.00 175.30 174.35 2doc s VAL 91 N 0.33 4.09 0.06 4.99 1.01 -1.26 -2.74 120.40 126.89 2doc s VAL 91 Ca -0.02 -0.30 0.02 0.00 0.00 0.00 0.00 61.98 61.68 2doc s VAL 91 Cb -0.04 -2.78 -0.03 0.00 0.00 0.00 0.00 36.38 33.53 2doc s VAL 91 CO -0.01 0.51 -0.07 0.00 0.00 0.00 0.00 175.10 175.53 2doc s ALA 92 N 0.11 0.71 -0.21 5.51 0.00 -0.68 -0.63 121.76 126.57 2doc s ALA 92 Ca 0.00 -1.02 -0.09 0.00 0.00 0.00 0.00 51.96 50.86 2doc s ALA 92 Cb -0.13 0.11 -0.04 0.00 0.00 0.00 0.00 23.12 23.05 2doc s ALA 92 CO 0.02 -0.13 0.11 0.00 0.00 0.00 0.00 175.76 175.76 2doc s ALA 93 N -2.41 3.50 -0.25 0.00 0.00 -1.26 -1.31 121.76 120.02 2doc s ALA 93 Ca -0.01 -0.82 -0.01 0.00 0.00 0.00 0.00 51.96 51.13 2doc s ALA 93 Cb -0.03 -2.12 0.03 0.00 0.00 0.00 0.00 23.12 21.01 2doc s ALA 93 CO -0.02 -0.02 -0.08 0.08 0.00 0.00 0.00 175.76 175.72 2doc s VAL 94 N 0.72 2.66 0.40 0.00 1.01 -0.97 -1.41 120.40 122.81 2doc s VAL 94 Ca 0.06 -1.15 0.08 0.00 0.00 0.00 0.00 61.98 60.96 2doc s VAL 94 Cb -0.13 -2.38 -0.05 0.00 0.00 0.00 0.00 36.38 33.82 2doc s VAL 94 CO 0.02 0.18 0.15 0.54 0.00 0.00 0.00 175.10 175.98 2doc s ASN 95 N 1.28 4.40 0.65 3.32 4.22 -0.61 -2.65 114.94 125.54 2doc s ASN 95 Ca -0.01 -1.04 0.15 0.00 -2.14 0.00 0.00 52.86 49.82 2doc s ASN 95 Cb -0.17 -0.51 0.76 0.00 1.28 0.00 0.00 41.25 42.61 2doc s ASN 95 CO -0.05 -0.47 1.41 1.23 -2.04 0.00 0.00 177.10 177.17 2doc h GLY 96 N 1.50 0.00 0.44 0.45 0.00 -1.90 0.41 103.07 103.97 2doc h GLY 96 Ca -0.43 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 46.80 2doc h GLY 96 CO 0.69 0.00 -0.44 1.70 0.00 0.00 0.00 176.54 178.50 2doc h LYS 97 N 0.00 0.19 0.00 4.80 1.63 -1.89 -3.50 116.57 117.79 2doc h LYS 97 Ca 0.08 -0.28 0.00 0.00 -0.85 0.00 0.00 60.65 59.60 2doc h LYS 97 Cb 1.63 0.10 0.00 0.00 -0.60 0.00 0.00 32.23 33.36 2doc h LYS 97 CO -0.00 1.09 0.00 0.41 -3.45 0.00 0.00 179.45 177.50 2doc n GLY 98 N 1.48 -1.27 3.57 5.01 0.00 0.14 -5.01 105.19 109.12 2doc n GLY 98 Ca -0.12 -1.17 -0.42 0.00 0.00 0.00 0.00 46.02 44.32 2doc n GLY 98 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2doc s GLN 99 N -1.77 3.67 0.00 1.61 0.74 -1.26 -1.58 119.66 121.07 2doc s GLN 99 Ca 0.00 0.05 0.00 0.00 0.05 0.00 0.00 55.36 55.46 2doc s GLN 99 Cb 0.00 -3.81 0.00 0.00 1.10 0.00 0.00 33.01 30.30 2doc s GLN 99 CO 0.00 -0.75 0.00 0.41 -0.55 0.00 0.00 175.29 174.40 2doc n GLY 100 N 4.67 -2.56 3.79 2.59 0.00 -0.50 -5.00 105.19 108.18 2doc n GLY 100 Ca -0.01 -0.98 -0.34 0.00 0.00 0.00 0.00 46.02 44.69 2doc n GLY 100 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2doc s ASP 101 N -1.79 5.76 0.39 1.61 1.01 -1.26 -4.91 116.67 117.49 2doc s ASP 101 Ca 0.00 0.19 -0.25 0.00 0.71 0.00 0.00 52.55 53.20 2doc s ASP 101 Cb 0.00 -1.69 -0.09 0.00 1.01 0.00 0.00 42.92 42.16 2doc s ASP 101 CO 0.00 0.30 1.12 -0.31 0.21 0.00 0.00 175.17 176.48 2doc s TYR 102 N -1.16 3.18 0.75 4.23 2.02 -1.26 -4.09 117.35 121.02 2doc s TYR 102 Ca 0.21 1.60 -0.11 0.00 -0.37 0.00 0.00 57.07 58.41 2doc s TYR 102 Cb -0.12 -3.28 0.04 0.00 -0.40 0.00 0.00 41.96 38.20 2doc s TYR 102 CO 0.12 -1.00 1.08 -1.54 -1.57 0.00 0.00 175.55 172.64 2doc s SER 103 N -1.28 4.92 -0.49 2.29 1.04 0.20 -4.85 113.70 115.53 2doc s SER 103 Ca 0.56 1.50 -0.43 0.00 0.48 0.00 0.00 55.95 58.06 2doc s SER 103 Cb -0.27 -2.30 -0.18 0.00 0.10 0.00 0.00 66.02 63.36 2doc s SER 103 CO 0.34 -1.72 2.15 1.17 0.98 0.00 0.00 173.24 176.16 2doc n LYS 104 N -3.30 0.11 -1.33 4.02 4.81 -1.26 -4.57 118.16 116.65 2doc n LYS 104 Ca 0.07 0.03 -0.52 0.00 -0.87 0.00 0.00 58.31 57.02 2doc n LYS 104 Cb 0.55 -1.60 -0.07 0.00 0.02 0.00 0.00 35.03 33.92 2doc n LYS 104 CO 0.00 0.00 0.00 -0.89 1.17 0.00 0.00 177.40 177.68 2doc n ILE 105 N 6.58 0.00 -4.13 3.15 2.08 -1.26 -4.91 119.36 120.87 2doc n ILE 105 Ca 0.54 0.00 -0.35 0.00 0.56 0.00 0.00 62.75 63.49 2doc n ILE 105 Cb -0.01 -0.18 -0.08 0.00 -0.75 0.00 0.00 39.64 38.62 2doc n ILE 105 CO 0.00 0.00 0.00 -1.61 0.56 0.00 0.00 176.55 175.50 2doc s GLU 106 N 1.09 3.18 -0.21 0.38 0.41 0.11 -4.96 118.70 118.69 2doc s GLU 106 Ca 0.80 -0.32 0.01 0.00 -0.41 0.00 0.00 54.97 55.05 2doc s GLU 106 Cb -1.13 -2.96 0.05 0.00 -1.78 0.00 0.00 34.13 28.31 2doc s GLU 106 CO 0.56 0.72 -0.11 0.42 -0.49 0.00 0.00 175.26 176.36 2doc s ILE 107 N -1.01 1.81 -0.00 -1.63 1.01 -1.26 0.28 121.20 120.40 2doc s ILE 107 Ca 0.16 -1.17 0.06 0.00 0.00 0.00 0.00 60.65 59.70 2doc s ILE 107 Cb -0.12 -1.88 -0.02 0.00 0.01 0.00 0.00 42.46 40.46 2doc s ILE 107 CO 0.06 0.14 -0.19 0.72 0.00 0.00 0.00 174.94 175.67 2doc s PHE 108 N 1.31 1.72 -0.19 3.97 -0.12 -0.68 -4.98 117.98 119.01 2doc s PHE 108 Ca -0.03 -0.33 -0.03 0.00 -0.05 0.00 0.00 56.93 56.49 2doc s PHE 108 Cb -0.17 -1.09 -0.01 0.00 -0.63 0.00 0.00 43.02 41.12 2doc s PHE 108 CO -0.08 -0.01 -0.05 -1.14 -0.05 0.00 0.00 175.22 173.90 2doc s GLN 109 N -0.59 3.46 0.77 1.99 0.74 -1.26 -1.18 119.66 123.58 2doc s GLN 109 Ca 0.07 -0.60 -0.15 0.00 0.05 0.00 0.00 55.36 54.73 2doc s GLN 109 Cb -0.08 -2.95 0.02 0.00 1.10 0.00 0.00 33.01 31.11 2doc s GLN 109 CO -0.00 -0.04 0.90 0.25 -0.55 0.00 0.00 175.29 175.85 2doc n THR 110 N 4.34 2.12 -1.91 -0.34 -2.24 -0.05 -4.90 114.28 111.29 2doc n THR 110 Ca -0.18 -0.31 -0.41 0.00 -2.27 0.00 0.00 64.05 60.88 2doc n THR 110 Cb 0.51 -1.01 -0.01 0.00 -2.10 0.00 0.00 70.33 67.72 2doc n THR 110 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2doc s LEU 111 N -3.11 4.36 -0.11 3.22 1.43 0.01 -3.87 118.68 120.61 2doc s LEU 111 Ca 0.70 2.91 -0.29 0.00 -1.03 0.00 0.00 54.13 56.41 2doc s LEU 111 Cb -0.32 -3.66 -0.04 0.00 0.03 0.00 0.00 46.19 42.21 2doc s LEU 111 CO 0.54 -0.76 1.54 -2.16 0.23 0.00 0.00 176.35 175.73 2doc s PRO 112 N -1.76 4.13 -0.44 1.29 0.04 -1.26 -3.16 135.00 133.85 2doc s PRO 112 Ca 0.53 1.95 -0.44 0.00 0.04 0.00 0.00 61.00 63.08 2doc s PRO 112 Cb -0.44 -3.93 -0.18 0.00 0.04 0.00 0.00 34.50 29.99 2doc s PRO 112 CO 0.57 -0.88 1.80 0.28 0.04 0.00 0.00 177.00 178.81 2doc n VAL 113 N 5.60 0.09 -3.79 -0.36 0.31 -1.26 -4.89 118.33 114.02 2doc n VAL 113 Ca 0.17 -0.03 -0.35 0.00 -0.01 0.00 0.00 64.34 64.12 2doc n VAL 113 Cb 0.44 -0.76 -0.11 0.00 -0.91 0.00 0.00 33.84 32.50 2doc n VAL 113 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 2doc s SER 114 N 4.12 5.01 0.22 4.52 0.15 -1.26 -5.07 113.70 121.38 2doc s SER 114 Ca 1.07 -2.77 0.00 0.00 0.70 0.00 0.00 55.95 54.96 2doc s SER 114 Cb -1.35 -1.79 0.00 0.00 -1.71 0.00 0.00 66.02 61.17 2doc s SER 114 CO 0.72 -0.36 0.03 0.61 1.20 0.00 0.00 173.24 175.44 2doc n GLY 115 N 3.56 3.77 0.00 9.45 0.00 -1.26 -5.00 105.19 115.70 2doc n GLY 115 Ca 0.06 -2.27 0.06 0.00 0.00 0.00 0.00 46.02 43.87 2doc n GLY 115 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2doc n PRO 116 N -0.61 0.49 -2.94 1.61 -0.04 -1.26 -4.54 135.00 127.71 2doc n PRO 116 Ca -0.08 0.00 -0.44 0.00 -0.04 0.00 0.00 63.50 62.95 2doc n PRO 116 Cb 0.27 -1.41 -0.04 0.00 -0.04 0.00 0.00 33.50 32.28 2doc n PRO 116 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2doc s SER 117 N -1.91 6.30 0.52 3.54 1.04 -1.26 -5.02 113.70 116.92 2doc s SER 117 Ca 0.19 -1.39 -0.18 0.00 0.48 0.00 0.00 55.95 55.05 2doc s SER 117 Cb 0.09 -2.38 -0.14 0.00 0.10 0.00 0.00 66.02 63.68 2doc s SER 117 CO 0.15 -1.26 -0.03 -1.54 0.98 0.00 0.00 173.24 171.53 2doc n SER 118 N 7.05 -3.30 -0.36 7.02 3.41 -1.26 -5.09 113.62 121.09 2doc n SER 118 Ca 0.02 0.66 0.14 0.00 -0.26 0.00 0.00 58.87 59.44 2doc n SER 118 Cb 0.46 -0.90 0.63 0.00 -0.26 0.00 0.00 64.21 64.14 2doc n SER 118 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49