#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f0x n THR 5 N 0.00 0.00 -0.06 2.46 -1.04 -1.26 -0.01 114.28 114.37 2f0x n THR 5 Ca 0.00 0.00 -0.09 0.00 -2.04 0.00 0.00 64.05 61.92 2f0x n THR 5 Cb 0.00 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 68.49 2f0x n THR 5 CO 0.00 0.00 0.00 1.56 -0.64 0.00 0.00 175.07 175.99 2f0x h GLN 6 N 0.00 0.23 -0.14 -2.82 1.08 -2.00 -0.72 115.11 110.74 2f0x h GLN 6 Ca 0.00 -0.01 0.05 0.00 -1.45 0.00 0.00 58.65 57.23 2f0x h GLN 6 Cb 0.00 -0.05 -0.05 0.00 -0.05 0.00 0.00 27.48 27.33 2f0x h GLN 6 CO 0.00 0.15 -0.20 1.03 -0.95 0.00 0.00 178.83 178.86 2f0x h SER 7 N 0.23 -0.62 -1.00 1.46 0.87 -0.89 -2.22 113.55 111.39 2f0x h SER 7 Ca 0.10 0.11 0.01 0.00 -1.23 0.00 0.00 61.79 60.77 2f0x h SER 7 Cb 0.04 0.28 -0.05 0.00 -0.44 0.00 0.00 62.40 62.23 2f0x h SER 7 CO -0.08 -0.25 0.66 -0.07 -0.53 0.00 0.00 176.83 176.56 2f0x h LEU 8 N -0.25 1.16 -1.41 2.23 -0.00 -1.75 -1.96 115.31 113.33 2f0x h LEU 8 Ca 0.10 -0.04 0.05 0.00 -0.00 0.00 0.00 57.88 57.99 2f0x h LEU 8 Cb 0.40 -0.29 -0.04 0.00 -0.00 0.00 0.00 40.66 40.73 2f0x h LEU 8 CO -0.28 0.84 0.44 -0.09 -0.00 0.00 0.00 178.44 179.35 2f0x h ARG 9 N 1.36 0.73 -0.19 1.13 2.43 -0.56 -2.21 114.38 117.06 2f0x h ARG 9 Ca 0.37 -0.04 -0.11 0.00 -0.81 0.00 0.00 59.98 59.38 2f0x h ARG 9 Cb -0.15 -0.16 -0.00 0.00 -0.42 0.00 0.00 29.97 29.24 2f0x h ARG 9 CO -0.08 0.48 -0.32 0.93 -1.51 0.00 0.00 179.97 179.47 2f0x h GLU 10 N 0.75 0.56 -0.92 0.20 4.39 -0.82 -2.21 114.58 116.52 2f0x h GLU 10 Ca 0.28 -0.34 0.13 0.00 0.34 0.00 0.00 59.36 59.77 2f0x h GLU 10 Cb 0.16 0.03 -0.09 0.00 -0.10 0.00 0.00 28.75 28.76 2f0x h GLU 10 CO -0.08 0.95 0.54 0.28 -1.16 0.00 0.00 179.01 179.54 2f0x h VAL 11 N 0.23 0.85 -0.02 3.13 2.07 -0.97 -1.12 116.25 120.40 2f0x h VAL 11 Ca 0.02 -0.28 -0.18 0.00 0.82 0.00 0.00 66.70 67.07 2f0x h VAL 11 Cb 0.90 -0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 2f0x h VAL 11 CO 0.07 0.15 -0.77 0.40 0.02 0.00 0.00 177.57 177.44 2f0x h ILE 12 N 0.83 1.45 -0.45 4.57 2.04 -1.36 -3.14 117.51 121.45 2f0x h ILE 12 Ca 0.48 -2.38 -0.07 0.00 1.00 0.00 0.00 64.86 63.89 2f0x h ILE 12 Cb 0.55 2.29 -0.02 0.00 -0.74 0.00 0.00 36.82 38.90 2f0x h ILE 12 CO -0.30 0.70 -0.02 0.11 0.00 0.00 0.00 178.15 178.63 2f0x h LYS 13 N 0.13 0.76 -2.04 2.37 1.57 -0.60 -3.25 116.57 115.52 2f0x h LYS 13 Ca -0.03 -0.21 -0.00 0.00 -1.87 0.00 0.00 60.65 58.54 2f0x h LYS 13 Cb 1.35 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 33.58 2f0x h LYS 13 CO 0.12 0.78 0.01 0.00 -0.57 0.00 0.00 179.45 179.79 2f0x n ALA 14 N -2.48 2.11 0.00 3.86 0.00 -0.62 -4.16 120.51 119.22 2f0x n ALA 14 Ca 0.02 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2f0x n ALA 14 Cb 0.31 -1.79 0.00 0.00 0.00 0.00 0.00 19.45 17.97 2f0x n ALA 14 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2f0x n THR 16 N 1.93 0.00 -1.17 0.00 -1.04 -1.23 -1.75 114.28 111.03 2f0x n THR 16 Ca 0.01 0.00 0.04 0.00 -2.04 0.00 0.00 64.05 62.06 2f0x n THR 16 Cb 0.12 0.00 0.22 0.00 -1.82 0.00 0.00 70.33 68.86 2f0x n THR 16 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 2f0x n LYS 17 N 0.00 2.34 -1.48 -2.82 4.01 -1.26 -4.97 118.16 113.98 2f0x n LYS 17 Ca 0.00 -2.94 -0.31 0.00 -0.51 0.00 0.00 58.31 54.55 2f0x n LYS 17 Cb 0.00 -1.80 0.06 0.00 -0.51 0.00 0.00 35.03 32.79 2f0x n LYS 17 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2f0x s ALA 18 N -2.99 2.51 -0.21 7.82 0.00 -0.72 -5.00 121.76 123.17 2f0x s ALA 18 Ca 0.42 0.19 -0.07 0.00 0.00 0.00 0.00 51.96 52.51 2f0x s ALA 18 Cb 0.36 -3.22 -0.10 0.00 0.00 0.00 0.00 23.12 20.15 2f0x s ALA 18 CO 0.05 -1.42 -0.24 0.54 0.00 0.00 0.00 175.76 174.69 2f0x n ARG 19 N -3.19 0.46 -0.01 0.00 3.00 -1.26 -4.69 116.66 110.97 2f0x n ARG 19 Ca 0.08 0.17 -0.01 0.00 -0.01 0.00 0.00 57.85 58.08 2f0x n ARG 19 Cb 0.53 -1.29 0.01 0.00 0.00 0.00 0.00 32.46 31.71 2f0x n ARG 19 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.63 177.90 2f0x n ASN 20 N -3.66 -1.99 0.12 0.55 0.23 -1.26 -4.81 115.26 104.44 2f0x n ASN 20 Ca -0.39 -0.06 0.06 0.00 -0.53 0.00 0.00 54.58 53.66 2f0x n ASN 20 Cb 0.82 -0.03 0.52 0.00 -2.08 0.00 0.00 39.78 39.01 2f0x n ASN 20 CO 0.00 0.00 0.00 0.15 -0.93 0.00 0.00 177.26 176.48 2f0x h PHE 21 N -2.01 0.27 0.00 -2.53 3.57 -2.06 -2.94 116.94 111.24 2f0x h PHE 21 Ca -0.01 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.49 2f0x h PHE 21 Cb 0.04 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 38.69 2f0x h PHE 21 CO 0.00 0.19 0.23 0.39 -2.23 0.00 0.00 178.31 176.89 2f0x n GLU 22 N -4.49 0.08 0.24 1.11 -0.58 -1.26 -1.76 120.64 113.98 2f0x n GLU 22 Ca 0.00 0.53 0.09 0.00 -0.42 0.00 0.00 57.16 57.36 2f0x n GLU 22 Cb 0.09 -1.99 0.61 0.00 -0.57 0.00 0.00 31.44 29.58 2f0x n GLU 22 CO 0.00 0.00 0.00 0.07 -0.48 0.00 0.00 177.13 176.72 2f0x h ARG 23 N 0.00 0.00 0.00 3.49 0.11 -1.79 -2.33 114.38 113.86 2f0x h ARG 23 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2f0x h ARG 23 Cb 0.46 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.54 2f0x h ARG 23 CO 0.00 0.17 0.00 1.33 0.10 0.00 0.00 179.97 181.57 2f0x n VAL 24 N -3.95 1.03 -0.37 0.08 0.24 -0.72 -1.59 118.33 113.05 2f0x n VAL 24 Ca -0.02 0.48 0.09 0.00 -2.04 0.00 0.00 64.34 62.85 2f0x n VAL 24 Cb 0.25 -1.43 0.26 0.00 -1.47 0.00 0.00 33.84 31.45 2f0x n VAL 24 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 2f0x n LEU 25 N -2.13 3.69 -0.16 1.34 4.77 -0.87 -4.63 117.00 119.00 2f0x n LEU 25 Ca 0.00 -2.13 0.16 0.00 -0.03 0.00 0.00 56.01 54.02 2f0x n LEU 25 Cb 0.12 -0.41 0.52 0.00 -2.33 0.00 0.00 43.42 41.33 2f0x n LEU 25 CO 0.13 0.84 1.21 1.23 -1.33 0.00 0.00 177.39 179.48 2f0x h GLY 26 N 3.24 0.65 1.61 -0.72 0.00 -1.42 -2.27 103.07 104.16 2f0x h GLY 26 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.17 2f0x h GLY 26 CO 0.05 0.05 0.00 0.28 0.00 0.00 0.00 176.54 176.92 2f0x n LYS 27 N -4.47 0.33 -2.40 4.80 4.76 -1.26 -4.60 118.16 115.31 2f0x n LYS 27 Ca 0.14 0.05 -0.37 0.00 -2.87 0.00 0.00 58.31 55.27 2f0x n LYS 27 Cb 0.56 -1.50 -0.03 0.00 -1.84 0.00 0.00 35.03 32.22 2f0x n LYS 27 CO 0.00 0.00 0.00 0.96 -1.37 0.00 0.00 177.40 176.99 2f0x s ILE 28 N -2.61 3.42 -0.04 -0.18 -4.36 -0.86 -4.74 121.20 111.83 2f0x s ILE 28 Ca 0.23 1.10 0.07 0.00 -0.26 0.00 0.00 60.65 61.78 2f0x s ILE 28 Cb 0.17 -3.57 -0.02 0.00 1.25 0.00 0.00 42.46 40.29 2f0x s ILE 28 CO 0.39 0.02 -0.24 0.28 0.24 0.00 0.00 174.94 175.63 2f0x s THR 29 N -1.58 2.18 -0.10 8.37 -1.32 -0.21 -4.95 115.64 118.04 2f0x s THR 29 Ca 0.59 -1.04 -0.28 0.00 -1.21 0.00 0.00 61.69 59.75 2f0x s THR 29 Cb -0.26 -1.78 -0.02 0.00 -1.51 0.00 0.00 72.50 68.94 2f0x s THR 29 CO 0.32 0.58 0.95 -0.22 -2.21 0.00 0.00 174.62 174.04 2f0x s LEU 30 N -0.40 4.25 -0.23 9.08 2.96 -1.26 -0.59 118.68 132.49 2f0x s LEU 30 Ca 0.04 1.46 0.08 0.00 -0.22 0.00 0.00 54.13 55.48 2f0x s LEU 30 Cb -0.12 -3.47 -0.19 0.00 0.50 0.00 0.00 46.19 42.91 2f0x s LEU 30 CO 0.01 -0.40 -0.11 0.52 -1.32 0.00 0.00 176.35 175.06 2f0x n VAL 31 N 4.46 1.38 -3.64 1.68 0.31 0.20 -4.95 118.33 117.78 2f0x n VAL 31 Ca 0.07 -0.65 -0.08 0.00 -0.01 0.00 0.00 64.34 63.67 2f0x n VAL 31 Cb 0.49 -1.03 -0.07 0.00 -0.91 0.00 0.00 33.84 32.32 2f0x n VAL 31 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 2f0x s SER 32 N -6.00 -0.40 0.02 4.52 0.15 -0.83 -4.99 113.70 106.17 2f0x s SER 32 Ca -0.24 0.77 0.05 0.00 0.70 0.00 0.00 55.95 57.23 2f0x s SER 32 Cb 0.07 0.79 -0.02 0.00 -1.71 0.00 0.00 66.02 65.16 2f0x s SER 32 CO 0.66 -0.13 -0.15 0.00 1.20 0.00 0.00 173.24 174.82 2f0x s ALA 33 N 0.22 1.24 0.17 5.45 0.00 -1.26 -0.82 121.76 126.77 2f0x s ALA 33 Ca 0.03 -0.76 -0.24 0.00 0.00 0.00 0.00 51.96 51.00 2f0x s ALA 33 Cb -0.05 -0.25 0.06 0.00 0.00 0.00 0.00 23.12 22.87 2f0x s ALA 33 CO -0.08 0.27 0.79 0.00 0.00 0.00 0.00 175.76 176.74 2f0x s ALA 34 N -0.62 -1.52 -0.57 0.00 0.00 -0.34 -4.82 121.76 113.88 2f0x s ALA 34 Ca 0.04 0.19 -0.37 0.00 0.00 0.00 0.00 51.96 51.82 2f0x s ALA 34 Cb -0.07 0.73 -0.17 0.00 0.00 0.00 0.00 23.12 23.62 2f0x s ALA 34 CO 0.01 -0.93 2.30 -2.30 0.00 0.00 0.00 175.76 174.84 2f0x n PRO 35 N -0.41 0.37 -1.08 0.00 -0.02 -1.25 -0.25 135.00 132.35 2f0x n PRO 35 Ca -0.08 0.08 -0.03 0.00 -2.02 0.00 0.00 63.50 61.45 2f0x n PRO 35 Cb 0.61 -1.89 -0.01 0.00 -0.02 0.00 0.00 33.50 32.19 2f0x n PRO 35 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2f0x n GLY 36 N 6.91 0.50 2.89 -1.23 0.00 -0.73 -4.98 105.19 108.54 2f0x n GLY 36 Ca 0.53 -0.13 -0.16 0.00 0.00 0.00 0.00 46.02 46.26 2f0x n GLY 36 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2f0x s LYS 37 N -1.56 0.11 -0.05 1.61 2.20 0.65 -1.31 119.74 121.40 2f0x s LYS 37 Ca 0.00 0.56 0.06 0.00 -0.36 0.00 0.00 55.97 56.24 2f0x s LYS 37 Cb 0.00 -0.37 -0.01 0.00 -1.51 0.00 0.00 37.83 35.93 2f0x s LYS 37 CO 0.00 -0.37 -0.25 0.08 -0.36 0.00 0.00 175.35 174.45 2f0x s VAL 38 N 2.35 2.07 -0.12 4.02 1.01 -0.73 -1.20 120.40 127.81 2f0x s VAL 38 Ca 0.03 -1.07 0.01 0.00 0.00 0.00 0.00 61.98 60.95 2f0x s VAL 38 Cb -0.13 -1.74 0.02 0.00 0.00 0.00 0.00 36.38 34.54 2f0x s VAL 38 CO -0.08 0.57 -0.12 -0.63 0.00 0.00 0.00 175.10 174.84 2f0x s ILE 39 N -0.27 1.32 0.31 2.22 1.01 0.00 -0.49 121.20 125.31 2f0x s ILE 39 Ca -0.00 -0.50 0.06 0.00 0.00 0.00 0.00 60.65 60.20 2f0x s ILE 39 Cb -0.13 -1.26 -0.06 0.00 0.01 0.00 0.00 42.46 41.02 2f0x s ILE 39 CO 0.03 0.41 -0.02 0.00 0.00 0.00 0.00 174.94 175.36 2f0x n GLU 41 N -0.67 0.54 -4.49 0.00 1.02 0.24 -0.11 120.64 117.17 2f0x n GLU 41 Ca -0.04 -2.44 -0.23 0.00 -0.02 0.00 0.00 57.16 54.43 2f0x n GLU 41 Cb 0.65 1.56 -0.16 0.00 -0.02 0.00 0.00 31.44 33.47 2f0x n GLU 41 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 2f0x s LYS 43 N -3.06 1.31 -0.16 3.49 2.20 -1.26 -1.04 119.74 121.22 2f0x s LYS 43 Ca 0.20 -0.36 -0.29 0.00 -0.36 0.00 0.00 55.97 55.15 2f0x s LYS 43 Cb 0.01 -1.16 -0.02 0.00 -1.51 0.00 0.00 37.83 35.16 2f0x s LYS 43 CO 0.14 0.08 1.29 0.08 -0.36 0.00 0.00 175.35 176.58 2f0x s VAL 44 N 0.42 4.24 0.36 4.02 1.01 0.13 -4.95 120.40 125.63 2f0x s VAL 44 Ca -0.08 1.49 0.08 0.00 0.00 0.00 0.00 61.98 63.47 2f0x s VAL 44 Cb -0.12 -3.96 -0.04 0.00 0.00 0.00 0.00 36.38 32.25 2f0x s VAL 44 CO 0.02 -0.13 0.19 -1.61 0.00 0.00 0.00 175.10 173.57 2f0x s GLU 45 N 3.53 2.38 0.45 2.72 0.41 -1.26 -0.79 118.70 126.14 2f0x s GLU 45 Ca 0.56 -1.59 0.20 0.00 -0.41 0.00 0.00 54.97 53.73 2f0x s GLU 45 Cb -0.22 -2.18 1.17 0.00 -1.78 0.00 0.00 34.13 31.11 2f0x s GLU 45 CO 0.16 0.03 1.88 1.49 -0.49 0.00 0.00 175.26 178.32 2f0x h GLU 46 N 1.44 0.31 0.00 1.61 4.57 -1.98 0.35 114.58 120.88 2f0x h GLU 46 Ca -0.43 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 57.73 2f0x h GLU 46 Cb 1.25 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 29.78 2f0x h GLU 46 CO 0.64 0.20 0.00 -0.85 -1.18 0.00 0.00 179.01 177.82 2f0x n GLU 47 N -4.46 0.14 0.00 1.92 0.28 -1.26 -2.55 120.64 114.70 2f0x n GLU 47 Ca 0.18 0.16 0.06 0.00 -0.16 0.00 0.00 57.16 57.40 2f0x n GLU 47 Cb 0.72 -1.50 0.03 0.00 1.43 0.00 0.00 31.44 32.12 2f0x n GLU 47 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 2f0x n HIS 48 N -1.38 0.00 -2.60 -1.84 8.25 0.12 -5.03 115.22 112.73 2f0x n HIS 48 Ca 0.06 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.29 2f0x n HIS 48 Cb 0.17 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.31 2f0x n HIS 48 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 2f0x s THR 49 N -1.22 3.27 0.19 1.59 -4.23 -1.06 -1.00 115.64 113.18 2f0x s THR 49 Ca 0.13 -0.37 0.03 0.00 -1.18 0.00 0.00 61.69 60.29 2f0x s THR 49 Cb 0.10 -3.27 0.03 0.00 1.34 0.00 0.00 72.50 70.71 2f0x s THR 49 CO 0.21 -0.23 0.26 -0.46 -0.54 0.00 0.00 174.62 173.87 2f0x n ASN 50 N -2.42 0.63 0.26 3.99 0.23 0.16 -4.53 115.26 113.58 2f0x n ASN 50 Ca 0.05 -1.47 0.13 0.00 -0.53 0.00 0.00 54.58 52.76 2f0x n ASN 50 Cb 0.59 -0.14 0.72 0.00 -2.08 0.00 0.00 39.78 38.86 2f0x n ASN 50 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2f0x h ALA 51 N 0.25 1.23 0.00 -2.53 0.00 -2.00 -2.58 119.26 113.64 2f0x h ALA 51 Ca -0.09 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2f0x h ALA 51 Cb 0.39 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2f0x h ALA 51 CO 0.12 0.15 0.00 0.82 0.00 0.00 0.00 179.25 180.34 2f0x h ILE 52 N 0.00 0.00 0.00 0.00 1.08 -2.01 -3.47 117.51 113.10 2f0x h ILE 52 Ca -0.00 -0.87 0.00 0.00 -0.39 0.00 0.00 64.86 63.60 2f0x h ILE 52 Cb 0.37 1.87 0.00 0.00 -3.07 0.00 0.00 36.82 35.99 2f0x h ILE 52 CO 0.02 0.00 0.00 0.61 -0.69 0.00 0.00 178.15 178.09 2f0x n GLY 53 N 1.00 1.09 3.39 5.37 0.00 -0.97 -5.11 105.19 109.96 2f0x n GLY 53 Ca 0.04 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.86 2f0x n GLY 53 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2f0x s THR 54 N -2.00 1.34 -0.26 2.61 -4.23 -1.26 -3.34 115.64 108.50 2f0x s THR 54 Ca 0.00 -2.07 -0.40 0.00 -1.18 0.00 0.00 61.69 58.05 2f0x s THR 54 Cb 0.00 -2.46 -0.15 0.00 1.34 0.00 0.00 72.50 71.23 2f0x s THR 54 CO 0.00 -0.27 1.76 -0.11 -0.54 0.00 0.00 174.62 175.46 2f0x n LEU 55 N -0.54 2.49 -4.73 4.79 7.94 0.15 -0.66 117.00 126.45 2f0x n LEU 55 Ca -0.05 1.07 -0.42 0.00 -1.11 0.00 0.00 56.01 55.50 2f0x n LEU 55 Cb 0.64 -1.16 -0.03 0.00 0.53 0.00 0.00 43.42 43.40 2f0x n LEU 55 CO 0.39 -0.39 1.11 -2.28 -1.11 0.00 0.00 177.39 175.10 2f0x s HIS 56 N 3.60 3.13 0.58 1.96 5.65 -0.17 -4.72 115.29 125.31 2f0x s HIS 56 Ca 0.98 0.94 0.28 0.00 0.25 0.00 0.00 55.06 57.50 2f0x s HIS 56 Cb -1.04 -3.77 1.63 0.00 -1.18 0.00 0.00 32.58 28.22 2f0x s HIS 56 CO 0.64 -2.66 2.12 0.78 -0.65 0.00 0.00 174.74 174.98 2f0x h GLY 57 N 6.02 0.00 1.62 1.59 0.00 -1.91 0.12 103.07 110.51 2f0x h GLY 57 Ca -0.44 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 46.70 2f0x h GLY 57 CO 0.84 0.00 -0.80 -1.33 0.00 0.00 0.00 176.54 175.24 2f0x h GLY 58 N 0.00 0.40 1.13 4.60 0.00 -1.97 -2.04 103.07 105.18 2f0x h GLY 58 Ca 0.08 -0.61 -0.16 0.00 0.00 0.00 0.00 47.33 46.63 2f0x h GLY 58 CO -0.00 0.54 -0.41 -2.00 0.00 0.00 0.00 176.54 174.68 2f0x h LEU 59 N 0.23 1.00 -0.31 3.11 5.85 -1.36 -0.31 115.31 123.53 2f0x h LEU 59 Ca -0.04 -0.48 0.02 0.00 0.84 0.00 0.00 57.88 58.22 2f0x h LEU 59 Cb 1.40 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 42.12 2f0x h LEU 59 CO 0.13 1.27 0.16 0.74 -0.34 0.00 0.00 178.44 180.41 2f0x h THR 60 N 0.75 1.00 -0.83 1.05 2.02 -1.27 0.30 112.91 115.93 2f0x h THR 60 Ca 0.05 -0.12 0.03 0.00 0.77 0.00 0.00 66.41 67.15 2f0x h THR 60 Cb 1.01 0.64 -0.05 0.00 -1.74 0.00 0.00 68.15 68.00 2f0x h THR 60 CO 0.10 0.06 0.53 0.00 0.37 0.00 0.00 175.52 176.58 2f0x h ALA 61 N 1.15 1.10 -0.68 6.16 0.00 -1.17 -0.51 119.26 125.31 2f0x h ALA 61 Ca 0.13 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 2f0x h ALA 61 Cb 0.03 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 2f0x h ALA 61 CO -0.08 0.36 0.14 1.15 0.00 0.00 0.00 179.25 180.83 2f0x h THR 62 N 1.04 1.26 -0.64 0.00 2.02 -0.10 -0.29 112.91 116.20 2f0x h THR 62 Ca 0.33 -1.00 -0.06 0.00 0.77 0.00 0.00 66.41 66.46 2f0x h THR 62 Cb 0.02 0.59 -0.03 0.00 -1.74 0.00 0.00 68.15 66.99 2f0x h THR 62 CO -0.12 0.38 0.17 -0.07 0.37 0.00 0.00 175.52 176.25 2f0x h LEU 63 N 1.04 0.94 0.21 2.58 3.38 0.19 -2.08 115.31 121.56 2f0x h LEU 63 Ca 0.21 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 2f0x h LEU 63 Cb 0.40 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.91 2f0x h LEU 63 CO 0.01 0.90 -0.10 0.58 0.09 0.00 0.00 178.44 179.92 2f0x h VAL 64 N 0.96 0.85 0.43 1.22 2.07 -0.61 -1.95 116.25 119.22 2f0x h VAL 64 Ca 0.21 -0.31 -0.01 0.00 0.82 0.00 0.00 66.70 67.41 2f0x h VAL 64 Cb 0.32 1.04 -0.02 0.00 -1.52 0.00 0.00 31.29 31.11 2f0x h VAL 64 CO -0.00 0.07 -0.44 -0.78 0.02 0.00 0.00 177.57 176.44 2f0x h ASP 65 N -0.44 -1.21 -0.01 0.57 3.58 -0.92 -0.53 116.42 117.46 2f0x h ASP 65 Ca -0.03 0.10 -0.00 0.00 0.42 0.00 0.00 57.03 57.52 2f0x h ASP 65 Cb 0.33 0.40 -0.00 0.00 1.72 0.00 0.00 39.33 41.79 2f0x h ASP 65 CO 0.05 -0.59 0.00 0.78 -2.88 0.00 0.00 179.24 176.59 2f0x h ASN 66 N -0.89 0.02 0.82 2.28 2.35 -1.46 -2.23 115.58 116.47 2f0x h ASN 66 Ca -0.04 -0.26 -0.02 0.00 -0.55 0.00 0.00 56.30 55.43 2f0x h ASN 66 Cb 0.79 -0.01 -0.00 0.00 0.05 0.00 0.00 38.32 39.15 2f0x h ASN 66 CO -0.07 0.28 -0.08 0.40 -1.65 0.00 0.00 177.43 176.30 2f0x h ILE 67 N -0.23 0.24 -0.15 2.81 2.04 -1.42 -1.59 117.51 119.20 2f0x h ILE 67 Ca 0.00 -0.65 -0.03 0.00 1.00 0.00 0.00 64.86 65.18 2f0x h ILE 67 Cb 0.26 1.52 -0.00 0.00 -0.74 0.00 0.00 36.82 37.86 2f0x h ILE 67 CO 0.00 0.08 -0.02 -1.28 0.00 0.00 0.00 178.15 176.93 2f0x h SER 68 N 0.00 0.27 0.00 1.72 0.87 -0.94 -2.79 113.55 112.68 2f0x h SER 68 Ca -0.00 -0.35 0.00 0.00 -1.23 0.00 0.00 61.79 60.21 2f0x h SER 68 Cb 0.52 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.40 2f0x h SER 68 CO 0.01 0.55 0.00 0.41 -0.53 0.00 0.00 176.83 177.28 2f0x n THR 69 N -4.72 0.06 0.00 2.23 -1.04 -0.60 -2.46 114.28 107.75 2f0x n THR 69 Ca -0.05 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 61.95 2f0x n THR 69 Cb 0.24 -0.69 0.00 0.00 -1.82 0.00 0.00 70.33 68.06 2f0x n THR 69 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2f0x n ALA 71 N 1.31 0.00 0.10 2.41 0.00 -1.06 -1.00 120.51 122.28 2f0x n ALA 71 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 2f0x n ALA 71 Cb 0.02 0.00 0.11 0.00 0.00 0.00 0.00 19.45 19.59 2f0x n ALA 71 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2f0x h LEU 72 N 0.00 0.20 -0.86 0.00 5.85 -1.78 -2.97 115.31 115.75 2f0x h LEU 72 Ca 0.00 -0.12 -0.12 0.00 0.84 0.00 0.00 57.88 58.48 2f0x h LEU 72 Cb 0.00 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 40.96 2f0x h LEU 72 CO 0.00 0.79 -0.54 -0.07 -0.34 0.00 0.00 178.44 178.28 2f0x h LEU 73 N 0.12 0.10 -1.79 2.25 3.38 -1.30 -2.68 115.31 115.39 2f0x h LEU 73 Ca -0.01 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 2f0x h LEU 73 Cb 1.16 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.87 2f0x h LEU 73 CO 0.10 0.62 0.03 0.00 0.09 0.00 0.00 178.44 179.27 2f0x s THR 75 N -0.60 4.41 0.39 0.00 2.01 -1.01 -1.78 115.64 119.06 2f0x s THR 75 Ca 0.04 -1.29 0.11 0.00 0.31 0.00 0.00 61.69 60.86 2f0x s THR 75 Cb 0.04 -3.32 0.33 0.00 0.01 0.00 0.00 72.50 69.55 2f0x s THR 75 CO 0.01 -0.24 1.91 -0.33 -0.69 0.00 0.00 174.62 175.28 2f0x h GLU 76 N 1.92 0.58 0.00 4.92 4.39 -1.87 0.18 114.58 124.69 2f0x h GLU 76 Ca -0.48 -0.03 -0.05 0.00 0.34 0.00 0.00 59.36 59.14 2f0x h GLU 76 Cb 1.22 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 29.73 2f0x h GLU 76 CO 0.62 0.38 -0.49 -0.09 -1.16 0.00 0.00 179.01 178.27 2f0x h ARG 77 N 0.60 0.00 -2.68 2.33 2.43 -1.92 -3.47 114.38 111.66 2f0x h ARG 77 Ca 0.38 0.00 -0.18 0.00 -0.81 0.00 0.00 59.98 59.37 2f0x h ARG 77 Cb 0.64 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.15 2f0x h ARG 77 CO -0.14 0.18 -0.19 0.41 -1.51 0.00 0.00 179.97 178.71 2f0x n GLY 78 N 1.18 0.27 3.70 2.80 0.00 0.64 -4.94 105.19 108.85 2f0x n GLY 78 Ca 0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.65 2f0x n GLY 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2f0x s ALA 79 N -2.05 3.48 0.10 4.61 0.00 -1.25 -4.63 121.76 122.01 2f0x s ALA 79 Ca 0.00 -0.21 -0.15 0.00 0.00 0.00 0.00 51.96 51.60 2f0x s ALA 79 Cb 0.00 -2.74 -0.07 0.00 0.00 0.00 0.00 23.12 20.31 2f0x s ALA 79 CO 0.00 -0.15 1.45 -1.00 0.00 0.00 0.00 175.76 176.06 2f0x h PRO 80 N 6.95 0.69 -1.58 0.00 0.13 -1.89 -3.41 132.00 132.89 2f0x h PRO 80 Ca -0.39 -0.33 0.18 0.00 -0.87 0.00 0.00 66.00 64.59 2f0x h PRO 80 Cb 1.17 -0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.23 2f0x h PRO 80 CO 0.75 0.93 -0.41 0.41 -0.23 0.00 0.00 178.00 179.45 2f0x n GLY 81 N 0.06 -2.23 3.34 1.56 0.00 -1.26 -4.90 105.19 101.76 2f0x n GLY 81 Ca -0.03 -1.32 -0.31 0.00 0.00 0.00 0.00 46.02 44.36 2f0x n GLY 81 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2f0x s VAL 82 N -2.52 2.22 0.24 1.61 0.11 0.72 -4.86 120.40 117.92 2f0x s VAL 82 Ca 0.00 -1.10 -0.31 0.00 -2.93 0.00 0.00 61.98 57.64 2f0x s VAL 82 Cb 0.00 -1.80 -0.12 0.00 -1.53 0.00 0.00 36.38 32.93 2f0x s VAL 82 CO 0.00 0.54 1.58 -1.20 -3.33 0.00 0.00 175.10 172.70 2f0x n SER 83 N 2.30 3.55 -0.05 3.54 7.64 -1.26 0.33 113.62 129.67 2f0x n SER 83 Ca -0.16 1.12 -0.11 0.00 1.01 0.00 0.00 58.87 60.73 2f0x n SER 83 Cb 0.51 -1.53 -0.04 0.00 -1.01 0.00 0.00 64.21 62.14 2f0x n SER 83 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 2f0x n VAL 84 N 2.70 0.57 -4.22 0.44 0.31 0.05 -4.81 118.33 113.37 2f0x n VAL 84 Ca 0.12 -0.15 -0.17 0.00 -0.01 0.00 0.00 64.34 64.13 2f0x n VAL 84 Cb 0.34 -1.55 -0.07 0.00 -0.91 0.00 0.00 33.84 31.65 2f0x n VAL 84 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 2f0x s ASP 85 N -5.82 1.24 0.00 4.52 1.01 -0.95 -5.02 116.67 111.65 2f0x s ASP 85 Ca -0.14 -1.62 0.00 0.00 0.71 0.00 0.00 52.55 51.49 2f0x s ASP 85 Cb 0.05 0.56 0.00 0.00 1.01 0.00 0.00 42.92 44.54 2f0x s ASP 85 CO 0.19 -1.09 0.00 -3.20 0.21 0.00 0.00 175.17 171.28 2f0x n ASN 87 N -1.31 0.00 -3.83 0.27 2.85 -0.45 -0.68 115.26 112.11 2f0x n ASN 87 Ca 0.05 0.00 -0.16 0.00 -0.11 0.00 0.00 54.58 54.36 2f0x n ASN 87 Cb 0.63 0.00 -0.16 0.00 1.24 0.00 0.00 39.78 41.49 2f0x n ASN 87 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 2f0x s ILE 88 N -0.76 0.14 -0.18 -1.44 1.01 -1.26 -0.73 121.20 117.97 2f0x s ILE 88 Ca 0.00 0.07 -0.02 0.00 0.00 0.00 0.00 60.65 60.70 2f0x s ILE 88 Cb 0.00 -0.22 -0.01 0.00 0.01 0.00 0.00 42.46 42.25 2f0x s ILE 88 CO 0.00 0.12 -0.09 -0.89 0.00 0.00 0.00 174.94 174.07 2f0x s THR 89 N 0.80 3.11 0.19 2.92 2.01 -0.22 -4.98 115.64 119.47 2f0x s THR 89 Ca -0.08 -0.60 0.04 0.00 0.31 0.00 0.00 61.69 61.35 2f0x s THR 89 Cb -0.11 -2.36 -0.03 0.00 0.01 0.00 0.00 72.50 70.00 2f0x s THR 89 CO -0.02 0.48 0.30 -0.31 -0.69 0.00 0.00 174.62 174.39 2f0x s TYR 90 N 0.99 3.45 0.45 4.92 1.51 -1.26 -1.53 117.35 125.88 2f0x s TYR 90 Ca -0.01 0.05 -0.23 0.00 -1.01 0.00 0.00 57.07 55.87 2f0x s TYR 90 Cb -0.15 -1.62 -0.08 0.00 -0.11 0.00 0.00 41.96 40.01 2f0x s TYR 90 CO -0.01 0.49 1.16 -1.54 -1.11 0.00 0.00 175.55 174.54 2f0x s SER 92 N -3.53 6.25 0.65 2.29 1.04 -1.04 -5.01 113.70 114.35 2f0x s SER 92 Ca 0.34 2.29 -0.16 0.00 0.48 0.00 0.00 55.95 58.90 2f0x s SER 92 Cb -0.10 -2.60 -0.01 0.00 0.10 0.00 0.00 66.02 63.41 2f0x s SER 92 CO 0.28 -0.86 1.15 -2.84 0.98 0.00 0.00 173.24 171.95 2f0x s PRO 93 N -2.64 2.77 -0.33 4.02 0.02 -1.26 -4.62 135.00 132.96 2f0x s PRO 93 Ca 0.62 1.57 0.01 0.00 0.02 0.00 0.00 61.00 63.22 2f0x s PRO 93 Cb -0.28 -1.93 0.08 0.00 0.02 0.00 0.00 34.50 32.39 2f0x s PRO 93 CO 0.35 -1.31 0.04 0.00 -0.33 0.00 0.00 177.00 175.75 2f0x s ALA 94 N -2.06 2.88 0.66 -1.55 0.00 -1.26 -5.01 121.76 115.42 2f0x s ALA 94 Ca 0.71 -2.21 -0.11 0.00 0.00 0.00 0.00 51.96 50.35 2f0x s ALA 94 Cb -0.24 -1.99 -0.01 0.00 0.00 0.00 0.00 23.12 20.87 2f0x s ALA 94 CO 0.39 -1.52 1.06 0.15 0.00 0.00 0.00 175.76 175.83 2f0x s LYS 95 N 1.08 3.22 0.22 0.00 3.01 -1.26 0.35 119.74 126.35 2f0x s LYS 95 Ca 0.03 0.68 -0.32 0.00 -1.01 0.00 0.00 55.97 55.35 2f0x s LYS 95 Cb -0.20 -2.04 -0.14 0.00 -1.01 0.00 0.00 37.83 34.44 2f0x s LYS 95 CO -0.05 -0.83 1.42 -0.11 0.51 0.00 0.00 175.35 176.29 2f0x n LEU 96 N -2.91 3.02 0.00 3.17 7.94 -1.21 -1.49 117.00 125.52 2f0x n LEU 96 Ca 0.07 1.13 0.00 0.00 -1.11 0.00 0.00 56.01 56.10 2f0x n LEU 96 Cb 0.55 -1.42 0.00 0.00 0.53 0.00 0.00 43.42 43.08 2f0x n LEU 96 CO 0.58 -0.50 0.00 0.61 -1.11 0.00 0.00 177.39 176.97 2f0x n GLY 97 N 2.35 2.63 3.74 -3.96 0.00 0.03 -4.99 105.19 104.99 2f0x n GLY 97 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 2f0x n GLY 97 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2f0x s GLU 98 N -0.50 4.55 -0.12 1.61 2.12 -0.55 -4.67 118.70 121.15 2f0x s GLU 98 Ca 0.00 1.80 -0.16 0.00 0.36 0.00 0.00 54.97 56.97 2f0x s GLU 98 Cb 0.00 -3.25 -0.05 0.00 0.26 0.00 0.00 34.13 31.10 2f0x s GLU 98 CO 0.00 0.02 0.38 -0.51 -0.54 0.00 0.00 175.26 174.61 2f0x s ASP 99 N -0.11 6.59 0.34 -1.70 1.01 -1.26 -0.69 116.67 120.84 2f0x s ASP 99 Ca 0.50 0.70 0.09 0.00 0.71 0.00 0.00 52.55 54.55 2f0x s ASP 99 Cb -0.31 -2.23 -0.05 0.00 1.01 0.00 0.00 42.92 41.33 2f0x s ASP 99 CO 0.37 0.10 -0.00 0.27 0.21 0.00 0.00 175.17 176.11 2f0x s ILE 100 N 0.26 2.63 -0.07 0.77 -4.36 -1.26 -1.52 121.20 117.64 2f0x s ILE 100 Ca 0.21 -2.00 0.03 0.00 -0.26 0.00 0.00 60.65 58.63 2f0x s ILE 100 Cb -0.14 -2.77 0.01 0.00 1.25 0.00 0.00 42.46 40.80 2f0x s ILE 100 CO 0.08 -0.21 -0.15 -0.69 0.24 0.00 0.00 174.94 174.21 2f0x s VAL 101 N -2.52 1.33 -0.25 8.37 1.01 -0.13 -4.42 120.40 123.79 2f0x s VAL 101 Ca 0.34 -0.59 -0.02 0.00 0.00 0.00 0.00 61.98 61.71 2f0x s VAL 101 Cb -0.00 -1.19 0.02 0.00 0.00 0.00 0.00 36.38 35.21 2f0x s VAL 101 CO 0.19 0.40 -0.05 -0.63 0.00 0.00 0.00 175.10 175.01 2f0x s ILE 102 N 0.57 2.97 -0.22 2.22 1.09 0.85 -1.11 121.20 127.56 2f0x s ILE 102 Ca -0.15 -0.98 -0.00 0.00 -1.10 0.00 0.00 60.65 58.41 2f0x s ILE 102 Cb -0.16 -2.50 0.02 0.00 -1.06 0.00 0.00 42.46 38.76 2f0x s ILE 102 CO 0.05 0.20 -0.11 -0.89 -0.10 0.00 0.00 174.94 174.08 2f0x s THR 103 N 1.34 2.58 -0.11 2.92 2.01 -0.44 -0.76 115.64 123.17 2f0x s THR 103 Ca 0.01 -1.01 -0.02 0.00 0.31 0.00 0.00 61.69 60.97 2f0x s THR 103 Cb -0.17 -2.25 -0.03 0.00 0.01 0.00 0.00 72.50 70.06 2f0x s THR 103 CO -0.04 0.31 -0.01 0.00 -0.69 0.00 0.00 174.62 174.18 2f0x s ALA 104 N 1.30 3.18 -0.04 7.40 0.00 0.35 -1.07 121.76 132.89 2f0x s ALA 104 Ca 0.01 -0.82 0.04 0.00 0.00 0.00 0.00 51.96 51.20 2f0x s ALA 104 Cb -0.16 -1.49 -0.00 0.00 0.00 0.00 0.00 23.12 21.47 2f0x s ALA 104 CO -0.07 0.46 -0.17 -1.01 0.00 0.00 0.00 175.76 174.97 2f0x s HIS 105 N -0.47 1.69 -0.27 0.00 3.76 0.11 -1.76 115.29 118.34 2f0x s HIS 105 Ca 0.08 -0.46 -0.21 0.00 -0.15 0.00 0.00 55.06 54.32 2f0x s HIS 105 Cb -0.12 -1.13 -0.01 0.00 1.11 0.00 0.00 32.58 32.43 2f0x s HIS 105 CO 0.02 -0.14 0.66 0.08 -0.85 0.00 0.00 174.74 174.51 2f0x s VAL 106 N -0.03 4.94 -0.00 -0.90 1.01 -0.42 -1.15 120.40 123.84 2f0x s VAL 106 Ca -0.02 1.11 0.06 0.00 0.00 0.00 0.00 61.98 63.13 2f0x s VAL 106 Cb -0.11 -3.98 -0.24 0.00 0.00 0.00 0.00 36.38 32.05 2f0x s VAL 106 CO 0.02 -0.04 0.83 -0.07 0.00 0.00 0.00 175.10 175.83 2f0x h LEU 107 N 9.05 0.14 -7.00 3.92 3.38 0.00 -3.48 115.31 121.31 2f0x h LEU 107 Ca -0.26 -0.22 0.18 0.00 0.09 0.00 0.00 57.88 57.67 2f0x h LEU 107 Cb 1.12 -0.05 -0.33 0.00 0.09 0.00 0.00 40.66 41.50 2f0x h LEU 107 CO 0.80 1.19 0.84 -0.75 0.09 0.00 0.00 178.44 180.61 2f0x s LYS 108 N -2.62 0.09 -0.09 1.13 2.47 -1.05 -5.00 119.74 114.66 2f0x s LYS 108 Ca -0.06 0.11 -0.04 0.00 -1.56 0.00 0.00 55.97 54.42 2f0x s LYS 108 Cb 0.08 0.04 0.05 0.00 -1.46 0.00 0.00 37.83 36.54 2f0x s LYS 108 CO 0.83 -0.01 0.19 1.14 0.16 0.00 0.00 175.35 177.66 2f0x s GLN 109 N 0.13 0.10 0.00 4.03 -2.07 -1.26 0.27 119.66 120.86 2f0x s GLN 109 Ca 0.06 0.55 0.00 0.00 -1.82 0.00 0.00 55.36 54.15 2f0x s GLN 109 Cb -0.05 -0.17 0.00 0.00 -1.09 0.00 0.00 33.01 31.70 2f0x s GLN 109 CO -0.15 -0.24 0.00 0.41 -1.32 0.00 0.00 175.29 173.99 2f0x n GLY 110 N 4.86 2.21 0.17 2.60 0.00 -0.14 -5.00 105.19 109.90 2f0x n GLY 110 Ca -0.14 -1.86 -0.14 0.00 0.00 0.00 0.00 46.02 43.89 2f0x n GLY 110 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2f0x h LYS 111 N 0.00 0.51 0.00 1.61 1.79 -2.01 -3.40 116.57 115.07 2f0x h LYS 111 Ca 0.00 -0.29 -0.03 0.00 -2.18 0.00 0.00 60.65 58.15 2f0x h LYS 111 Cb 0.00 0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 30.66 2f0x h LYS 111 CO 0.00 0.88 -1.21 0.25 -1.08 0.00 0.00 179.45 178.29 2f0x n THR 112 N -4.40 0.13 -4.68 -0.16 -2.24 -1.26 -4.76 114.28 96.91 2f0x n THR 112 Ca -0.06 -0.12 -0.33 0.00 -2.27 0.00 0.00 64.05 61.27 2f0x n THR 112 Cb 0.44 -0.32 -0.13 0.00 -2.10 0.00 0.00 70.33 68.22 2f0x n THR 112 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2f0x s LEU 113 N -3.81 2.96 -0.04 3.22 1.43 -1.26 0.18 118.68 121.37 2f0x s LEU 113 Ca -0.02 -0.17 0.07 0.00 -1.03 0.00 0.00 54.13 52.99 2f0x s LEU 113 Cb 0.02 -1.66 -0.02 0.00 0.03 0.00 0.00 46.19 44.56 2f0x s LEU 113 CO 0.15 0.26 -0.25 0.00 0.23 0.00 0.00 176.35 176.74 2f0x s ALA 114 N -0.21 2.13 -0.10 4.21 0.00 0.56 -0.97 121.76 127.38 2f0x s ALA 114 Ca 0.02 -1.07 0.03 0.00 0.00 0.00 0.00 51.96 50.93 2f0x s ALA 114 Cb -0.13 -0.59 0.01 0.00 0.00 0.00 0.00 23.12 22.40 2f0x s ALA 114 CO 0.03 0.47 -0.19 -0.06 0.00 0.00 0.00 175.76 176.01 2f0x s PHE 115 N -0.41 2.25 0.26 0.00 0.40 0.14 -0.32 117.98 120.30 2f0x s PHE 115 Ca 0.04 -0.99 0.05 0.00 -0.60 0.00 0.00 56.93 55.43 2f0x s PHE 115 Cb -0.11 -1.55 -0.06 0.00 0.51 0.00 0.00 43.02 41.81 2f0x s PHE 115 CO 0.01 -0.45 -0.01 0.95 0.70 0.00 0.00 175.22 176.42 2f0x s THR 116 N 0.65 1.26 0.01 0.64 -4.23 0.01 0.75 115.64 114.73 2f0x s THR 116 Ca -0.13 -2.06 0.01 0.00 -1.18 0.00 0.00 61.69 58.33 2f0x s THR 116 Cb -0.16 -2.45 -0.01 0.00 1.34 0.00 0.00 72.50 71.21 2f0x s THR 116 CO 0.03 -0.26 -0.03 -0.55 -0.54 0.00 0.00 174.62 173.27 2f0x s SER 117 N -3.38 0.29 -0.03 3.99 0.15 -0.30 -1.27 113.70 113.14 2f0x s SER 117 Ca 0.30 -0.27 -0.01 0.00 0.70 0.00 0.00 55.95 56.68 2f0x s SER 117 Cb 0.06 0.03 0.03 0.00 -1.71 0.00 0.00 66.02 64.43 2f0x s SER 117 CO 0.11 -0.12 0.04 -0.69 1.20 0.00 0.00 173.24 173.78 2f0x s VAL 118 N -0.72 -0.06 -0.15 4.45 1.01 0.85 -0.71 120.40 125.07 2f0x s VAL 118 Ca -0.07 0.30 -0.04 0.00 0.00 0.00 0.00 61.98 62.18 2f0x s VAL 118 Cb -0.05 -0.13 -0.03 0.00 0.00 0.00 0.00 36.38 36.17 2f0x s VAL 118 CO -0.00 0.14 -0.03 -1.81 0.00 0.00 0.00 175.10 173.39 2f0x s ASP 119 N 1.58 4.85 -0.25 3.32 1.11 -0.23 -0.69 116.67 126.37 2f0x s ASP 119 Ca -0.02 -0.11 -0.10 0.00 0.18 0.00 0.00 52.55 52.50 2f0x s ASP 119 Cb -0.13 -1.77 -0.05 0.00 1.07 0.00 0.00 42.92 42.05 2f0x s ASP 119 CO -0.03 0.18 0.15 -0.76 1.18 0.00 0.00 175.17 175.89 2f0x s LEU 120 N 0.29 3.94 0.11 1.23 2.01 -0.53 -1.33 118.68 124.39 2f0x s LEU 120 Ca -0.03 0.01 0.05 0.00 0.01 0.00 0.00 54.13 54.17 2f0x s LEU 120 Cb -0.14 -2.07 -0.04 0.00 0.01 0.00 0.00 46.19 43.96 2f0x s LEU 120 CO 0.03 0.02 -0.12 0.42 1.01 0.00 0.00 176.35 177.71 2f0x s THR 121 N 1.33 1.12 -0.14 5.49 -4.23 -0.27 0.66 115.64 119.61 2f0x s THR 121 Ca 0.07 -1.70 -0.29 0.00 -1.18 0.00 0.00 61.69 58.58 2f0x s THR 121 Cb -0.15 -1.46 -0.01 0.00 1.34 0.00 0.00 72.50 72.22 2f0x s THR 121 CO 0.06 -0.51 1.14 0.21 -0.54 0.00 0.00 174.62 174.98 2f0x s ASN 122 N -2.50 7.07 0.18 3.99 3.84 0.18 -0.96 114.94 126.75 2f0x s ASN 122 Ca 0.08 1.63 -0.14 0.00 0.21 0.00 0.00 52.86 54.63 2f0x s ASN 122 Cb -0.03 -2.55 0.16 0.00 -0.55 0.00 0.00 41.25 38.27 2f0x s ASN 122 CO 0.01 -0.63 1.70 0.50 -2.79 0.00 0.00 177.10 175.90 2f0x h LYS 123 N 7.59 0.15 -0.13 0.43 3.64 -1.58 1.01 116.57 127.68 2f0x h LYS 123 Ca -0.28 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.06 2f0x h LYS 123 Cb 1.12 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.90 2f0x h LYS 123 CO 0.92 0.10 -0.06 0.00 -2.27 0.00 0.00 179.45 178.14 2f0x h ALA 124 N 1.38 0.18 0.00 5.00 0.00 -1.92 -3.35 119.26 120.55 2f0x h ALA 124 Ca 0.23 -0.26 -0.30 0.00 0.00 0.00 0.00 54.91 54.58 2f0x h ALA 124 Cb 0.32 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.01 2f0x h ALA 124 CO -0.35 -0.03 -1.85 0.25 0.00 0.00 0.00 179.25 177.27 2f0x n THR 125 N -4.68 1.54 -0.75 0.00 -2.24 -1.18 -4.96 114.28 102.01 2f0x n THR 125 Ca -0.06 -0.81 0.00 0.00 -2.27 0.00 0.00 64.05 60.91 2f0x n THR 125 Cb 0.28 -0.90 0.00 0.00 -2.10 0.00 0.00 70.33 67.61 2f0x n THR 125 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2f0x n GLY 126 N 1.59 0.78 3.77 3.38 0.00 0.35 -5.00 105.19 110.06 2f0x n GLY 126 Ca -0.20 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.42 2f0x n GLY 126 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2f0x s LYS 127 N -0.25 4.41 0.22 1.61 -0.14 -1.25 -4.63 119.74 119.71 2f0x s LYS 127 Ca 0.00 2.03 -0.30 0.00 -1.36 0.00 0.00 55.97 56.34 2f0x s LYS 127 Cb 0.00 -3.06 -0.09 0.00 -1.68 0.00 0.00 37.83 32.99 2f0x s LYS 127 CO 0.00 -0.07 1.39 -1.17 -0.76 0.00 0.00 175.35 174.74 2f0x s LEU 128 N -1.77 4.40 -0.26 3.17 2.96 -1.26 -0.64 118.68 125.28 2f0x s LEU 128 Ca 0.48 2.54 -0.09 0.00 -0.22 0.00 0.00 54.13 56.85 2f0x s LEU 128 Cb -0.36 -3.61 -0.13 0.00 0.50 0.00 0.00 46.19 42.59 2f0x s LEU 128 CO 0.47 -0.64 -0.30 -0.38 -1.32 0.00 0.00 176.35 174.19 2f0x n ILE 129 N 2.61 1.42 -3.69 6.68 5.41 0.21 -4.28 119.36 127.72 2f0x n ILE 129 Ca 0.07 -0.41 -0.09 0.00 1.00 0.00 0.00 62.75 63.32 2f0x n ILE 129 Cb 0.41 -1.71 -0.02 0.00 -0.71 0.00 0.00 39.64 37.61 2f0x n ILE 129 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2f0x s ALA 130 N -2.48 -1.39 -0.10 -1.39 0.00 -1.09 -2.49 121.76 112.83 2f0x s ALA 130 Ca -0.35 0.02 -0.05 0.00 0.00 0.00 0.00 51.96 51.58 2f0x s ALA 130 Cb 0.12 0.84 0.05 0.00 0.00 0.00 0.00 23.12 24.13 2f0x s ALA 130 CO 0.49 -0.94 0.23 -1.14 0.00 0.00 0.00 175.76 174.39 2f0x s GLN 131 N -3.81 0.18 0.01 0.00 0.74 -0.58 -1.46 119.66 114.74 2f0x s GLN 131 Ca 0.07 0.51 0.07 0.00 0.05 0.00 0.00 55.36 56.07 2f0x s GLN 131 Cb -0.04 -0.13 -0.02 0.00 1.10 0.00 0.00 33.01 33.92 2f0x s GLN 131 CO -0.01 -0.18 -0.21 0.20 -0.55 0.00 0.00 175.29 174.55 2f0x s GLY 132 N 1.35 1.07 0.04 2.59 0.00 0.13 -1.06 107.32 111.44 2f0x s GLY 132 Ca -0.08 -0.98 0.04 0.00 0.00 0.00 0.00 44.72 43.70 2f0x s GLY 132 CO -0.08 -0.86 -0.06 0.50 0.00 0.00 0.00 173.10 172.59 2f0x s ARG 133 N -0.83 2.45 -0.06 2.90 3.00 0.09 -0.10 118.95 126.39 2f0x s ARG 133 Ca 0.08 -0.81 -0.03 0.00 0.00 0.00 0.00 55.73 54.97 2f0x s ARG 133 Cb -0.08 -2.46 0.04 0.00 0.00 0.00 0.00 34.95 32.45 2f0x s ARG 133 CO 0.01 0.57 0.12 -1.58 0.00 0.00 0.00 175.30 174.41 2f0x s HIS 134 N -1.10 -0.09 -0.24 -0.53 2.46 -0.40 -1.34 115.29 114.05 2f0x s HIS 134 Ca 0.19 0.46 -0.07 0.00 0.47 0.00 0.00 55.06 56.11 2f0x s HIS 134 Cb -0.11 -0.31 -0.03 0.00 -0.13 0.00 0.00 32.58 32.00 2f0x s HIS 134 CO 0.11 -0.22 0.07 0.99 -2.47 0.00 0.00 174.74 173.22 2f0x s THR 135 N 2.05 4.46 0.16 0.89 2.01 0.14 -0.81 115.64 124.54 2f0x s THR 135 Ca 0.02 -0.13 0.11 0.00 0.31 0.00 0.00 61.69 62.00 2f0x s THR 135 Cb -0.12 -3.07 -0.04 0.00 0.01 0.00 0.00 72.50 69.27 2f0x s THR 135 CO -0.05 0.36 -0.22 -0.54 -0.69 0.00 0.00 174.62 173.48 2f0x s LYS 136 N 1.36 1.58 -0.24 4.92 1.02 0.57 -0.77 119.74 128.18 2f0x s LYS 136 Ca 0.05 -1.40 -0.10 0.00 0.02 0.00 0.00 55.97 54.55 2f0x s LYS 136 Cb -0.15 -1.93 -0.05 0.00 -0.52 0.00 0.00 37.83 35.18 2f0x s LYS 136 CO 0.04 0.43 0.13 -1.58 -0.92 0.00 0.00 175.35 173.45 2f0x s HIS 137 N -1.43 3.26 -2.79 3.18 5.65 0.15 -0.32 115.29 122.99 2f0x s HIS 137 Ca 0.19 0.09 0.26 0.00 0.25 0.00 0.00 55.06 55.85 2f0x s HIS 137 Cb -0.09 -2.25 0.55 0.00 -1.18 0.00 0.00 32.58 29.61 2f0x s HIS 137 CO 0.09 -0.01 1.46 1.28 -0.65 0.00 0.00 174.74 176.92