#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2g1e s VAL 2 N 0.00 1.94 -0.33 3.17 0.11 -0.51 -4.73 120.40 120.05 2g1e s VAL 2 Ca 0.00 -0.97 -0.12 0.00 -2.93 0.00 0.00 61.98 57.96 2g1e s VAL 2 Cb 0.00 -1.67 -0.01 0.00 -1.53 0.00 0.00 36.38 33.16 2g1e s VAL 2 CO 0.00 0.54 0.22 -0.89 -3.33 0.00 0.00 175.10 171.63 2g1e s THR 3 N 0.24 5.10 -0.00 5.04 2.01 -0.63 -1.05 115.64 126.34 2g1e s THR 3 Ca -0.14 -0.29 0.00 0.00 0.31 0.00 0.00 61.69 61.57 2g1e s THR 3 Cb -0.17 -3.62 -0.04 0.00 0.01 0.00 0.00 72.50 68.69 2g1e s THR 3 CO 0.07 0.00 0.06 0.54 -0.69 0.00 0.00 174.62 174.60 2g1e s VAL 4 N 1.69 4.58 0.17 3.82 0.11 -0.34 -2.23 120.40 128.20 2g1e s VAL 4 Ca 0.06 -0.46 0.08 0.00 -2.93 0.00 0.00 61.98 58.72 2g1e s VAL 4 Cb -0.17 -3.08 -0.04 0.00 -1.53 0.00 0.00 36.38 31.55 2g1e s VAL 4 CO 0.09 0.36 -0.05 -0.60 -3.33 0.00 0.00 175.10 171.57 2g1e s ARG 5 N -1.69 2.24 -0.04 1.54 3.52 0.82 -2.46 118.95 122.88 2g1e s ARG 5 Ca 0.22 -1.16 0.04 0.00 -0.13 0.00 0.00 55.73 54.70 2g1e s ARG 5 Cb -0.12 -2.28 -0.00 0.00 -1.56 0.00 0.00 34.95 31.00 2g1e s ARG 5 CO 0.13 0.45 -0.14 0.71 -0.81 0.00 0.00 175.30 175.65 2g1e s TYR 6 N -1.66 1.40 0.00 5.12 2.02 -1.14 -1.86 117.35 121.23 2g1e s TYR 6 Ca 0.26 -0.39 0.00 0.00 -0.37 0.00 0.00 57.07 56.57 2g1e s TYR 6 Cb -0.09 -0.96 0.00 0.00 -0.40 0.00 0.00 41.96 40.51 2g1e s TYR 6 CO 0.17 -0.14 0.00 0.66 -1.57 0.00 0.00 175.55 174.66 2g1e n TYR 7 N 3.22 0.00 0.00 2.71 4.02 -0.71 -4.73 117.16 121.67 2g1e n TYR 7 Ca -0.18 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.71 2g1e n TYR 7 Cb 0.53 0.06 0.00 0.00 -0.02 0.00 0.00 39.34 39.91 2g1e n TYR 7 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2g1e n ALA 8 N -2.04 0.00 0.18 -0.72 0.00 -1.23 -4.66 120.51 112.05 2g1e n ALA 8 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.47 2g1e n ALA 8 Cb 0.20 0.00 0.15 0.00 0.00 0.00 0.00 19.45 19.79 2g1e n ALA 8 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2g1e n THR 9 N -0.59 1.59 0.06 0.00 -2.24 -1.26 -2.10 114.28 109.73 2g1e n THR 9 Ca 0.00 0.42 0.02 0.00 -2.27 0.00 0.00 64.05 62.23 2g1e n THR 9 Cb 0.00 -1.34 0.39 0.00 -2.10 0.00 0.00 70.33 67.28 2g1e n THR 9 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 2g1e h LEU 10 N 0.00 0.36 0.30 3.22 6.46 -1.96 -2.28 115.31 121.42 2g1e h LEU 10 Ca 0.00 -0.05 -0.01 0.00 -0.12 0.00 0.00 57.88 57.71 2g1e h LEU 10 Cb 0.09 -0.09 -0.02 0.00 -0.73 0.00 0.00 40.66 39.91 2g1e h LEU 10 CO 0.00 0.40 -0.38 0.03 -0.62 0.00 0.00 178.44 177.87 2g1e h ARG 11 N 0.39 -0.68 0.00 1.25 3.08 -1.67 -0.98 114.38 115.77 2g1e h ARG 11 Ca 0.09 0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.19 2g1e h ARG 11 Cb 0.21 0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.41 2g1e h ARG 11 CO 0.00 -0.45 0.00 -0.35 -1.07 0.00 0.00 179.97 178.10 2g1e n PRO 12 N -4.69 0.09 0.05 0.04 -0.04 -1.18 -0.26 135.00 129.00 2g1e n PRO 12 Ca -0.08 0.21 -0.14 0.00 -0.04 0.00 0.00 63.50 63.45 2g1e n PRO 12 Cb 0.33 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.16 2g1e n PRO 12 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 2g1e h ILE 13 N 0.00 1.18 -0.00 0.52 2.04 -0.72 -3.36 117.51 117.18 2g1e h ILE 13 Ca 0.00 -2.87 0.00 0.00 1.00 0.00 0.00 64.86 62.99 2g1e h ILE 13 Cb 0.20 2.71 0.00 0.00 -0.74 0.00 0.00 36.82 38.99 2g1e h ILE 13 CO 0.00 0.79 -0.57 0.41 0.00 0.00 0.00 178.15 178.78 2g1e n THR 14 N -3.36 0.00 -2.71 -0.27 -1.04 -0.46 -4.99 114.28 101.44 2g1e n THR 14 Ca -0.14 -0.22 -0.17 0.00 -2.04 0.00 0.00 64.05 61.48 2g1e n THR 14 Cb 1.03 1.01 0.02 0.00 -1.82 0.00 0.00 70.33 70.57 2g1e n THR 14 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 2g1e n LYS 15 N -1.20 -3.22 -3.81 -2.82 4.81 0.64 -5.00 118.16 107.57 2g1e n LYS 15 Ca 0.03 0.75 -0.12 0.00 -0.87 0.00 0.00 58.31 58.09 2g1e n LYS 15 Cb 0.20 -5.21 -0.09 0.00 0.02 0.00 0.00 35.03 29.95 2g1e n LYS 15 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 2g1e s LYS 16 N -5.29 0.60 -0.03 1.64 3.01 -1.13 -5.04 119.74 113.50 2g1e s LYS 16 Ca 0.18 -0.29 0.21 0.00 -1.01 0.00 0.00 55.97 55.05 2g1e s LYS 16 Cb -0.08 0.26 -0.26 0.00 -1.01 0.00 0.00 37.83 36.75 2g1e s LYS 16 CO 0.22 -0.16 0.50 1.63 0.51 0.00 0.00 175.35 178.05 2g1e n LYS 17 N 1.33 0.66 -3.72 1.68 5.02 -1.26 -4.56 118.16 117.30 2g1e n LYS 17 Ca -0.22 -0.07 -0.14 0.00 -2.02 0.00 0.00 58.31 55.86 2g1e n LYS 17 Cb 0.56 -1.59 -0.09 0.00 -0.02 0.00 0.00 35.03 33.89 2g1e n LYS 17 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 2g1e s GLU 18 N -3.20 0.65 0.03 1.97 2.12 -1.26 -2.87 118.70 116.14 2g1e s GLU 18 Ca -0.07 0.16 -0.20 0.00 0.36 0.00 0.00 54.97 55.22 2g1e s GLU 18 Cb 0.11 0.30 0.04 0.00 0.26 0.00 0.00 34.13 34.84 2g1e s GLU 18 CO 0.87 -0.15 0.45 -1.21 -0.54 0.00 0.00 175.26 174.67 2g1e s GLU 19 N -0.72 0.94 0.22 4.30 0.41 -1.03 -5.03 118.70 117.78 2g1e s GLU 19 Ca -0.08 -0.27 0.07 0.00 -0.41 0.00 0.00 54.97 54.28 2g1e s GLU 19 Cb -0.04 0.42 -0.04 0.00 -1.78 0.00 0.00 34.13 32.70 2g1e s GLU 19 CO 0.04 -0.32 0.08 0.95 -0.49 0.00 0.00 175.26 175.52 2g1e s THR 20 N -2.28 4.03 0.13 3.63 -4.23 -1.26 -1.20 115.64 114.45 2g1e s THR 20 Ca -0.06 -1.46 -0.06 0.00 -1.18 0.00 0.00 61.69 58.93 2g1e s THR 20 Cb -0.01 -3.11 -0.02 0.00 1.34 0.00 0.00 72.50 70.70 2g1e s THR 20 CO -0.01 -0.24 0.17 -0.36 -0.54 0.00 0.00 174.62 173.64 2g1e s PHE 21 N -1.99 0.47 -0.00 3.99 0.08 -0.21 -4.96 117.98 115.35 2g1e s PHE 21 Ca 0.31 -0.87 -0.00 0.00 0.12 0.00 0.00 56.93 56.48 2g1e s PHE 21 Cb -0.08 -0.20 -0.00 0.00 -0.57 0.00 0.00 43.02 42.16 2g1e s PHE 21 CO 0.22 -0.59 0.01 0.54 -0.10 0.00 0.00 175.22 175.29 2g1e s ASN 22 N -2.96 0.01 0.00 1.36 4.22 -1.26 -1.43 114.94 114.89 2g1e s ASN 22 Ca 0.15 -0.02 0.00 0.00 -2.14 0.00 0.00 52.86 50.84 2g1e s ASN 22 Cb 0.05 0.02 0.00 0.00 1.28 0.00 0.00 41.25 42.61 2g1e s ASN 22 CO -0.03 -0.03 0.00 0.61 -2.04 0.00 0.00 177.10 175.61 2g1e n GLY 23 N 2.95 2.92 3.63 0.45 0.00 -1.26 -5.06 105.19 108.83 2g1e n GLY 23 Ca -0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.49 2g1e n GLY 23 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2g1e s ILE 24 N -2.61 4.99 -0.07 -0.61 1.01 -1.26 -4.89 121.20 117.77 2g1e s ILE 24 Ca 0.00 1.13 0.02 0.00 0.00 0.00 0.00 60.65 61.80 2g1e s ILE 24 Cb 0.00 -3.93 -0.03 0.00 0.01 0.00 0.00 42.46 38.52 2g1e s ILE 24 CO 0.00 0.04 0.08 -0.24 0.00 0.00 0.00 174.94 174.82 2g1e n SER 25 N 5.59 1.27 -4.22 3.58 2.88 -1.26 -4.91 113.62 116.56 2g1e n SER 25 Ca -0.01 -0.40 -0.18 0.00 -1.33 0.00 0.00 58.87 56.95 2g1e n SER 25 Cb 0.49 1.03 -0.11 0.00 -0.75 0.00 0.00 64.21 64.86 2g1e n SER 25 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 2g1e s LYS 26 N -1.45 0.95 0.23 -1.46 -0.14 -1.26 -3.36 119.74 113.24 2g1e s LYS 26 Ca 0.00 -1.14 -0.08 0.00 -1.36 0.00 0.00 55.97 53.40 2g1e s LYS 26 Cb 0.02 -0.88 0.23 0.00 -1.68 0.00 0.00 37.83 35.52 2g1e s LYS 26 CO 0.09 0.18 1.89 0.82 -0.76 0.00 0.00 175.35 177.56 2g1e h ILE 27 N 3.81 1.17 -0.26 2.17 1.08 -1.62 -2.51 117.51 121.35 2g1e h ILE 27 Ca -0.40 -0.38 0.06 0.00 -0.39 0.00 0.00 64.86 63.75 2g1e h ILE 27 Cb 1.19 -0.03 -0.07 0.00 -3.07 0.00 0.00 36.82 34.84 2g1e h ILE 27 CO 0.47 0.20 -0.25 -1.28 -0.69 0.00 0.00 178.15 176.60 2g1e h SER 28 N 1.11 -0.80 -0.24 1.72 0.87 -1.74 0.78 113.55 115.24 2g1e h SER 28 Ca 0.33 0.14 -0.01 0.00 -1.23 0.00 0.00 61.79 61.03 2g1e h SER 28 Cb -0.06 0.38 -0.01 0.00 -0.44 0.00 0.00 62.40 62.27 2g1e h SER 28 CO -0.09 -0.28 0.14 -0.08 -0.53 0.00 0.00 176.83 175.98 2g1e h GLU 29 N -0.25 0.36 0.10 2.24 4.57 -1.80 -2.72 114.58 117.08 2g1e h GLU 29 Ca 0.14 -0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.29 2g1e h GLU 29 Cb 0.47 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 28.98 2g1e h GLU 29 CO -0.40 0.27 -0.05 1.25 -1.18 0.00 0.00 179.01 178.90 2g1e h LEU 30 N 0.37 -0.12 -0.47 1.64 7.12 -0.55 -1.33 115.31 121.96 2g1e h LEU 30 Ca 0.10 -0.27 0.10 0.00 0.13 0.00 0.00 57.88 57.93 2g1e h LEU 30 Cb 0.02 0.03 -0.09 0.00 -0.53 0.00 0.00 40.66 40.09 2g1e h LEU 30 CO -0.02 0.22 -0.14 -0.07 -0.13 0.00 0.00 178.44 178.30 2g1e h LEU 31 N -0.46 -0.50 -1.43 2.25 4.07 -0.65 0.19 115.31 118.77 2g1e h LEU 31 Ca -0.01 0.15 -0.06 0.00 0.08 0.00 0.00 57.88 58.03 2g1e h LEU 31 Cb 0.38 0.32 -0.01 0.00 1.08 0.00 0.00 40.66 42.43 2g1e h LEU 31 CO 0.02 -0.18 -0.28 -0.33 -1.08 0.00 0.00 178.44 176.59 2g1e h GLU 32 N -0.03 0.00 -0.08 1.13 4.39 -1.50 -2.41 114.58 116.08 2g1e h GLU 32 Ca 0.23 0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.80 2g1e h GLU 32 Cb 0.37 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.01 2g1e h GLU 32 CO -0.50 0.28 -0.53 0.00 -1.16 0.00 0.00 179.01 177.11 2g1e h ARG 33 N 0.00 0.24 0.10 2.33 2.47 0.46 -2.55 114.38 117.43 2g1e h ARG 33 Ca -0.00 -0.14 -0.00 0.00 -1.26 0.00 0.00 59.98 58.57 2g1e h ARG 33 Cb 0.51 0.01 0.00 0.00 -1.65 0.00 0.00 29.97 28.85 2g1e h ARG 33 CO 0.04 0.71 -0.05 -0.07 0.56 0.00 0.00 179.97 181.16 2g1e h LEU 34 N 0.19 -0.11 -1.11 3.04 3.38 -0.40 0.25 115.31 120.55 2g1e h LEU 34 Ca 0.00 -0.40 0.08 0.00 0.09 0.00 0.00 57.88 57.65 2g1e h LEU 34 Cb 1.00 0.03 -0.06 0.00 0.09 0.00 0.00 40.66 41.71 2g1e h LEU 34 CO 0.08 0.37 0.61 0.11 0.09 0.00 0.00 178.44 179.70 2g1e h LYS 35 N -0.63 1.01 0.14 1.13 1.57 -1.52 0.15 116.57 118.42 2g1e h LYS 35 Ca -0.01 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 2g1e h LYS 35 Cb 0.50 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.59 2g1e h LYS 35 CO 0.02 0.67 -0.07 0.28 -0.57 0.00 0.00 179.45 179.78 2g1e h VAL 36 N 1.04 0.66 -0.38 0.50 2.07 -1.45 0.28 116.25 118.96 2g1e h VAL 36 Ca 0.42 -1.19 0.08 0.00 0.82 0.00 0.00 66.70 66.83 2g1e h VAL 36 Cb 0.25 1.16 -0.08 0.00 -1.52 0.00 0.00 31.29 31.10 2g1e h VAL 36 CO -0.17 0.19 -0.12 -0.08 0.02 0.00 0.00 177.57 177.41 2g1e h GLU 37 N -0.96 -0.04 0.00 1.57 4.57 -0.37 -0.73 114.58 118.63 2g1e h GLU 37 Ca -0.02 0.00 -0.06 0.00 -1.18 0.00 0.00 59.36 58.10 2g1e h GLU 37 Cb 0.46 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.05 2g1e h GLU 37 CO 0.03 -0.02 -0.29 1.88 -1.18 0.00 0.00 179.01 179.43 2g1e h TYR 38 N -0.04 0.00 0.00 0.92 0.05 -0.83 -3.50 116.97 113.57 2g1e h TYR 38 Ca 0.19 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.97 2g1e h TYR 38 Cb 0.32 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.06 2g1e h TYR 38 CO -0.37 0.29 0.00 0.41 -1.05 0.00 0.00 178.16 177.44 2g1e n GLY 39 N 0.96 -1.75 0.13 3.88 0.00 0.98 -4.21 105.19 105.19 2g1e n GLY 39 Ca 0.02 -1.60 -0.04 0.00 0.00 0.00 0.00 46.02 44.41 2g1e n GLY 39 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2g1e h SER 40 N 0.00 0.09 -1.00 1.61 4.64 -1.88 -3.15 113.55 113.86 2g1e h SER 40 Ca 0.00 -0.06 0.23 0.00 -0.47 0.00 0.00 61.79 61.49 2g1e h SER 40 Cb 0.00 -0.03 -0.09 0.00 -0.31 0.00 0.00 62.40 61.97 2g1e h SER 40 CO 0.00 0.75 0.63 -0.08 -0.87 0.00 0.00 176.83 177.26 2g1e h GLU 41 N 0.05 0.49 0.07 4.77 4.81 -1.91 0.21 114.58 123.07 2g1e h GLU 41 Ca -0.01 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.19 2g1e h GLU 41 Cb 1.21 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.48 2g1e h GLU 41 CO 0.09 0.32 -0.04 0.35 -0.73 0.00 0.00 179.01 179.01 2g1e h PHE 42 N 0.50 -0.09 -0.86 0.92 3.57 -1.71 -1.17 116.94 118.10 2g1e h PHE 42 Ca 0.57 -0.00 0.13 0.00 3.53 0.00 0.00 57.97 62.19 2g1e h PHE 42 Cb 1.26 0.03 -0.09 0.00 2.79 0.00 0.00 35.95 39.95 2g1e h PHE 42 CO -0.00 0.47 0.47 1.15 -2.23 0.00 0.00 178.31 178.17 2g1e h THR 43 N -0.87 0.81 -0.06 4.41 2.02 -1.38 0.23 112.91 118.06 2g1e h THR 43 Ca -0.01 -0.25 -0.05 0.00 0.77 0.00 0.00 66.41 66.87 2g1e h THR 43 Cb 0.60 0.03 0.00 0.00 -1.74 0.00 0.00 68.15 67.05 2g1e h THR 43 CO 0.02 0.13 -0.17 0.11 0.37 0.00 0.00 175.52 175.98 2g1e h LYS 44 N 0.71 0.22 0.00 6.66 1.79 -0.71 0.25 116.57 125.50 2g1e h LYS 44 Ca 0.44 -0.16 -0.00 0.00 -2.18 0.00 0.00 60.65 58.76 2g1e h LYS 44 Cb 0.54 0.02 -0.00 0.00 -1.58 0.00 0.00 32.23 31.22 2g1e h LYS 44 CO -0.31 0.77 -0.02 1.96 -1.08 0.00 0.00 179.45 180.77 2g1e h GLN 45 N -0.29 0.00 0.01 3.15 1.08 -0.60 -2.19 115.11 116.27 2g1e h GLN 45 Ca -0.00 0.00 -0.35 0.00 -1.45 0.00 0.00 58.65 56.85 2g1e h GLN 45 Cb 0.78 0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 28.15 2g1e h GLN 45 CO 0.04 0.02 -2.15 -0.12 -0.95 0.00 0.00 178.83 175.66 2g1e n MET 46 N -3.33 0.67 -2.19 1.46 1.56 0.75 -4.84 117.12 111.21 2g1e n MET 46 Ca -0.02 0.12 -0.41 0.00 -0.27 0.00 0.00 57.70 57.12 2g1e n MET 46 Cb 0.12 -1.62 -0.03 0.00 2.15 0.00 0.00 33.22 33.84 2g1e n MET 46 CO 0.00 0.00 0.00 0.71 -0.73 0.00 0.00 175.97 175.95 2g1e s TYR 47 N -2.53 2.02 -0.54 1.12 1.51 0.88 -4.81 117.35 115.01 2g1e s TYR 47 Ca -0.11 0.63 0.03 0.00 -1.01 0.00 0.00 57.07 56.60 2g1e s TYR 47 Cb 0.07 -4.23 0.14 0.00 -0.11 0.00 0.00 41.96 37.82 2g1e s TYR 47 CO 0.80 -2.33 0.29 0.34 -1.11 0.00 0.00 175.55 173.54 2g1e s ASP 48 N 5.68 4.45 0.00 2.29 2.15 -1.26 -4.88 116.67 125.09 2g1e s ASP 48 Ca 0.65 -3.02 0.00 0.00 0.43 0.00 0.00 52.55 50.62 2g1e s ASP 48 Cb -0.15 -1.67 0.00 0.00 -0.30 0.00 0.00 42.92 40.80 2g1e s ASP 48 CO 0.28 -0.25 0.00 0.61 -0.17 0.00 0.00 175.17 175.64 2g1e n GLY 49 N 3.13 1.51 1.35 2.66 0.00 -1.26 -4.71 105.19 107.87 2g1e n GLY 49 Ca 0.06 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.30 2g1e n GLY 49 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2g1e n ASN 50 N 0.50 0.61 -4.63 1.61 2.85 -1.26 -5.11 115.26 109.83 2g1e n ASN 50 Ca 0.00 0.23 -0.24 0.00 -0.11 0.00 0.00 54.58 54.46 2g1e n ASN 50 Cb 0.00 -0.08 -0.08 0.00 1.24 0.00 0.00 39.78 40.86 2g1e n ASN 50 CO 0.00 0.00 0.00 0.20 -2.11 0.00 0.00 177.26 175.35 2g1e s ASN 51 N -5.59 4.28 0.17 1.20 -0.87 -1.26 -5.07 114.94 107.79 2g1e s ASN 51 Ca 0.00 -0.87 0.00 0.00 -1.57 0.00 0.00 52.86 50.42 2g1e s ASN 51 Cb 0.00 -0.62 0.00 0.00 -0.02 0.00 0.00 41.25 40.61 2g1e s ASN 51 CO 0.00 -0.15 0.00 -0.11 -2.57 0.00 0.00 177.10 174.27 2g1e n LEU 52 N -0.92 0.22 -0.06 0.60 -0.00 -1.26 -4.35 117.00 111.24 2g1e n LEU 52 Ca -0.05 0.28 0.21 0.00 -0.00 0.00 0.00 56.01 56.45 2g1e n LEU 52 Cb 0.61 0.11 0.67 0.00 -0.00 0.00 0.00 43.42 44.81 2g1e n LEU 52 CO 0.42 -0.71 1.20 0.15 -0.00 0.00 0.00 177.39 178.45 2g1e h PHE 53 N 0.00 0.06 -0.00 1.96 3.57 -1.93 0.37 116.94 120.97 2g1e h PHE 53 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 2g1e h PHE 53 Cb 0.00 -0.02 -0.00 0.00 2.79 0.00 0.00 35.95 38.72 2g1e h PHE 53 CO 0.00 0.02 0.01 -0.22 -2.23 0.00 0.00 178.31 175.89 2g1e h LYS 54 N 0.05 0.00 0.00 1.11 3.64 -2.01 -2.65 116.57 116.72 2g1e h LYS 54 Ca 0.30 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.64 2g1e h LYS 54 Cb 1.13 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.94 2g1e h LYS 54 CO -0.02 0.00 -1.32 0.09 -2.27 0.00 0.00 179.45 175.93 2g1e n ASN 55 N -3.41 3.64 -4.41 4.20 4.13 0.93 -5.05 115.26 115.28 2g1e n ASN 55 Ca -0.03 0.00 -0.37 0.00 1.68 0.00 0.00 54.58 55.86 2g1e n ASN 55 Cb 0.08 1.00 0.05 0.00 -1.54 0.00 0.00 39.78 39.37 2g1e n ASN 55 CO 0.00 0.00 0.00 0.55 0.28 0.00 0.00 177.26 178.09 2g1e n VAL 56 N -1.92 1.60 -3.94 2.41 3.14 0.88 -4.59 118.33 115.93 2g1e n VAL 56 Ca -0.04 -0.46 -0.30 0.00 -2.96 0.00 0.00 64.34 60.58 2g1e n VAL 56 Cb 0.38 -0.57 -0.16 0.00 -1.06 0.00 0.00 33.84 32.43 2g1e n VAL 56 CO 0.00 0.00 0.00 -0.51 -6.46 0.00 0.00 176.83 169.86 2g1e s ILE 57 N -1.86 1.48 -0.05 1.55 2.07 -1.24 -4.95 121.20 118.21 2g1e s ILE 57 Ca 0.64 -1.12 0.06 0.00 -1.41 0.00 0.00 60.65 58.82 2g1e s ILE 57 Cb -0.40 -1.72 -0.01 0.00 0.13 0.00 0.00 42.46 40.46 2g1e s ILE 57 CO 0.59 -0.05 -0.23 0.27 -1.91 0.00 0.00 174.94 173.61 2g1e s ILE 58 N 1.43 1.90 -0.22 2.00 -0.00 -1.26 -2.40 121.20 122.65 2g1e s ILE 58 Ca -0.05 -0.99 -0.06 0.00 -0.00 0.00 0.00 60.65 59.55 2g1e s ILE 58 Cb -0.18 -1.61 -0.02 0.00 -0.00 0.00 0.00 42.46 40.65 2g1e s ILE 58 CO -0.07 0.53 0.03 -0.76 -0.00 0.00 0.00 174.94 174.67 2g1e s LEU 59 N -0.21 3.32 -0.17 0.37 1.43 -0.99 -3.71 118.68 118.71 2g1e s LEU 59 Ca -0.01 -0.21 -0.14 0.00 -1.03 0.00 0.00 54.13 52.74 2g1e s LEU 59 Cb -0.12 -1.86 -0.04 0.00 0.03 0.00 0.00 46.19 44.19 2g1e s LEU 59 CO 0.02 0.02 0.31 0.54 0.23 0.00 0.00 176.35 177.48 2g1e s VAL 60 N 1.25 5.29 -0.97 -1.59 0.11 0.84 -2.06 120.40 123.28 2g1e s VAL 60 Ca 0.04 0.56 -0.00 0.00 -2.93 0.00 0.00 61.98 59.65 2g1e s VAL 60 Cb -0.15 -3.65 0.00 0.00 -1.53 0.00 0.00 36.38 31.06 2g1e s VAL 60 CO 0.02 0.36 0.00 -3.20 -3.33 0.00 0.00 175.10 168.94 2g1e n ASN 61 N 3.82 -3.67 -1.59 3.54 4.05 0.81 -1.81 115.26 120.40 2g1e n ASN 61 Ca -0.11 0.22 -0.03 0.00 0.45 0.00 0.00 54.58 55.11 2g1e n ASN 61 Cb 0.52 -3.13 0.01 0.00 1.23 0.00 0.00 39.78 38.41 2g1e n ASN 61 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2g1e n GLY 62 N -0.78 0.42 3.65 8.20 0.00 -1.26 -5.00 105.19 110.42 2g1e n GLY 62 Ca -0.13 -0.27 -0.03 0.00 0.00 0.00 0.00 46.02 45.59 2g1e n GLY 62 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2g1e s ASN 63 N -3.16 -0.08 0.21 1.61 2.47 -0.75 -5.12 114.94 110.11 2g1e s ASN 63 Ca 0.04 0.16 -0.32 0.00 0.42 0.00 0.00 52.86 53.16 2g1e s ASN 63 Cb -0.00 0.16 -0.12 0.00 -1.45 0.00 0.00 41.25 39.84 2g1e s ASN 63 CO 0.13 -0.03 1.69 0.20 -3.72 0.00 0.00 177.10 175.36 2g1e s ASN 64 N 0.01 6.41 0.22 -4.21 -0.87 -1.26 -0.11 114.94 115.13 2g1e s ASN 64 Ca 0.07 2.84 0.10 0.00 -1.57 0.00 0.00 52.86 54.30 2g1e s ASN 64 Cb -0.05 -2.60 0.15 0.00 -0.02 0.00 0.00 41.25 38.73 2g1e s ASN 64 CO -0.15 -0.95 1.49 0.16 -2.57 0.00 0.00 177.10 175.09 2g1e h ILE 65 N 3.80 1.48 -0.23 0.60 3.07 -1.83 -3.13 117.51 121.27 2g1e h ILE 65 Ca -0.43 -2.57 0.07 0.00 1.55 0.00 0.00 64.86 63.47 2g1e h ILE 65 Cb 1.20 2.41 -0.01 0.00 -0.27 0.00 0.00 36.82 40.15 2g1e h ILE 65 CO 0.94 0.72 0.25 0.71 -1.05 0.00 0.00 178.15 179.72 2g1e h THR 66 N 0.00 0.47 -0.01 0.16 1.35 -1.87 0.55 112.91 113.56 2g1e h THR 66 Ca -0.01 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.85 2g1e h THR 66 Cb 1.35 0.80 0.00 0.00 -1.73 0.00 0.00 68.15 68.57 2g1e h THR 66 CO 0.10 0.00 0.00 -0.24 -0.25 0.00 0.00 175.52 175.13 2g1e n SER 67 N -3.82 0.19 0.00 5.36 2.88 -1.18 -4.60 113.62 112.45 2g1e n SER 67 Ca 0.03 -1.33 0.00 0.00 -1.33 0.00 0.00 58.87 56.24 2g1e n SER 67 Cb 0.38 -0.01 0.00 0.00 -0.75 0.00 0.00 64.21 63.84 2g1e n SER 67 CO 0.00 0.00 0.00 0.80 -1.23 0.00 0.00 175.04 174.61 2g1e n MET 68 N -0.72 0.00 -4.40 -1.46 0.00 0.16 -5.12 117.12 105.58 2g1e n MET 68 Ca 0.17 0.00 -0.20 0.00 -0.00 0.00 0.00 57.70 57.67 2g1e n MET 68 Cb 0.11 0.00 -0.10 0.00 0.00 0.00 0.00 33.22 33.22 2g1e n MET 68 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 175.97 176.18 2g1e s LYS 69 N 0.00 1.51 0.00 2.12 2.47 0.50 -5.07 119.74 121.27 2g1e s LYS 69 Ca 0.00 -1.79 0.00 0.00 -1.56 0.00 0.00 55.97 52.62 2g1e s LYS 69 Cb 0.00 -0.83 0.00 0.00 -1.46 0.00 0.00 37.83 35.54 2g1e s LYS 69 CO 0.00 -0.10 0.00 0.41 0.16 0.00 0.00 175.35 175.82 2g1e n GLY 70 N -0.56 -0.33 0.09 5.54 0.00 -1.26 -3.71 105.19 104.96 2g1e n GLY 70 Ca -0.04 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.04 2g1e n GLY 70 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2g1e n LEU 71 N -1.08 0.65 -0.63 0.99 4.77 -1.26 -3.88 117.00 116.56 2g1e n LEU 71 Ca 0.00 0.27 0.06 0.00 -0.03 0.00 0.00 56.01 56.30 2g1e n LEU 71 Cb 0.00 0.03 0.16 0.00 -2.33 0.00 0.00 43.42 41.29 2g1e n LEU 71 CO 0.00 0.01 0.63 0.47 -1.33 0.00 0.00 177.39 177.17 2g1e n ASP 72 N -2.68 1.83 -4.78 -1.43 8.00 -1.26 -2.82 116.55 113.42 2g1e n ASP 72 Ca -0.06 -1.99 -0.41 0.00 0.71 0.00 0.00 54.79 53.04 2g1e n ASP 72 Cb 0.70 -0.23 -0.01 0.00 -0.02 0.00 0.00 41.12 41.57 2g1e n ASP 72 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2g1e s THR 73 N -1.55 2.14 0.24 -3.53 2.01 -1.25 -4.92 115.64 108.78 2g1e s THR 73 Ca 0.23 0.14 0.09 0.00 0.31 0.00 0.00 61.69 62.47 2g1e s THR 73 Cb 0.12 -3.09 -0.04 0.00 0.01 0.00 0.00 72.50 69.50 2g1e s THR 73 CO 0.16 0.03 0.01 -1.61 -0.69 0.00 0.00 174.62 172.52 2g1e s GLU 74 N -1.91 2.37 0.13 4.92 2.02 -1.26 -1.87 118.70 123.09 2g1e s GLU 74 Ca 0.53 -1.30 0.05 0.00 0.02 0.00 0.00 54.97 54.28 2g1e s GLU 74 Cb -0.46 -2.25 -0.04 0.00 0.10 0.00 0.00 34.13 31.49 2g1e s GLU 74 CO 0.60 0.39 0.04 0.42 0.02 0.00 0.00 175.26 176.74 2g1e s ILE 75 N -2.12 4.10 0.83 -1.63 1.01 -1.21 -4.89 121.20 117.27 2g1e s ILE 75 Ca 0.30 -1.11 -0.11 0.00 0.00 0.00 0.00 60.65 59.74 2g1e s ILE 75 Cb -0.07 -3.02 0.13 0.00 0.01 0.00 0.00 42.46 39.51 2g1e s ILE 75 CO 0.20 0.00 1.17 -0.54 0.00 0.00 0.00 174.94 175.77 2g1e s LYS 76 N -2.68 1.48 0.56 2.79 -0.14 -1.26 -4.91 119.74 115.57 2g1e s LYS 76 Ca 0.28 -0.35 0.27 0.00 -1.36 0.00 0.00 55.97 54.81 2g1e s LYS 76 Cb -0.11 -2.02 1.47 0.00 -1.68 0.00 0.00 37.83 35.49 2g1e s LYS 76 CO 0.20 -1.80 1.99 0.22 -0.76 0.00 0.00 175.35 175.20 2g1e h ASP 77 N -1.09 0.00 -0.47 2.83 1.82 -2.01 -0.90 116.42 116.60 2g1e h ASP 77 Ca -0.44 0.00 0.02 0.00 -0.39 0.00 0.00 57.03 56.22 2g1e h ASP 77 Cb 1.28 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 41.26 2g1e h ASP 77 CO 0.50 0.00 0.28 -0.78 -1.61 0.00 0.00 179.24 177.63 2g1e h ASP 78 N 0.00 0.46 -4.87 2.28 1.82 -1.95 -3.48 116.42 110.67 2g1e h ASP 78 Ca 0.22 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.86 2g1e h ASP 78 Cb 0.98 -0.10 0.00 0.00 0.68 0.00 0.00 39.33 40.89 2g1e h ASP 78 CO -0.00 0.33 -0.44 0.47 -1.61 0.00 0.00 179.24 177.98 2g1e n ASP 79 N -4.82 -6.92 -3.66 2.28 8.00 -0.34 -4.75 116.55 106.33 2g1e n ASP 79 Ca 0.02 0.50 -0.13 0.00 0.71 0.00 0.00 54.79 55.90 2g1e n ASP 79 Cb 0.06 -4.63 -0.13 0.00 -0.02 0.00 0.00 41.12 36.41 2g1e n ASP 79 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 2g1e s LYS 80 N -2.25 0.18 -0.01 -1.24 2.20 -1.26 -1.61 119.74 115.74 2g1e s LYS 80 Ca 0.19 0.80 0.06 0.00 -0.36 0.00 0.00 55.97 56.66 2g1e s LYS 80 Cb -0.05 0.03 -0.02 0.00 -1.51 0.00 0.00 37.83 36.28 2g1e s LYS 80 CO 0.63 -0.28 -0.20 0.42 -0.36 0.00 0.00 175.35 175.57 2g1e s ILE 81 N 2.43 1.60 -0.08 5.43 1.01 -0.95 -0.14 121.20 130.51 2g1e s ILE 81 Ca 0.00 -0.87 0.04 0.00 0.00 0.00 0.00 60.65 59.83 2g1e s ILE 81 Cb -0.12 -1.33 -0.01 0.00 0.01 0.00 0.00 42.46 41.01 2g1e s ILE 81 CO -0.09 0.45 -0.22 -1.81 0.00 0.00 0.00 174.94 173.27 2g1e s ASP 82 N -0.49 3.33 -0.28 3.58 1.01 -0.87 -0.12 116.67 122.83 2g1e s ASP 82 Ca 0.08 -0.46 -0.04 0.00 0.71 0.00 0.00 52.55 52.84 2g1e s ASP 82 Cb -0.08 -1.10 0.02 0.00 1.01 0.00 0.00 42.92 42.77 2g1e s ASP 82 CO -0.01 0.22 0.01 -0.76 0.21 0.00 0.00 175.17 174.84 2g1e s LEU 83 N -0.02 3.59 0.11 1.23 1.43 -0.78 -2.35 118.68 121.88 2g1e s LEU 83 Ca -0.07 -0.86 0.10 0.00 -1.03 0.00 0.00 54.13 52.27 2g1e s LEU 83 Cb -0.15 -1.77 -0.04 0.00 0.03 0.00 0.00 46.19 44.27 2g1e s LEU 83 CO 0.05 -0.18 -0.25 -0.36 0.23 0.00 0.00 176.35 175.84 2g1e s PHE 84 N 1.39 2.36 0.07 0.29 0.40 -1.01 -1.74 117.98 119.74 2g1e s PHE 84 Ca 0.00 -0.36 -0.31 0.00 -0.60 0.00 0.00 56.93 55.66 2g1e s PHE 84 Cb -0.17 -1.30 -0.07 0.00 0.51 0.00 0.00 43.02 41.98 2g1e s PHE 84 CO -0.01 0.30 1.39 -1.25 0.70 0.00 0.00 175.22 176.35 2g1e s PRO 85 N -1.87 4.31 1.04 0.24 0.04 -1.26 -3.60 135.00 133.90 2g1e s PRO 85 Ca 0.14 2.03 -0.13 0.00 0.04 0.00 0.00 61.00 63.08 2g1e s PRO 85 Cb -0.10 -3.37 0.21 0.00 0.04 0.00 0.00 34.50 31.28 2g1e s PRO 85 CO 0.06 -0.48 1.10 -1.25 0.04 0.00 0.00 177.00 176.47 2g1e s PRO 86 N 1.55 0.09 0.39 0.56 0.04 -1.26 -4.85 135.00 131.52 2g1e s PRO 86 Ca 0.64 0.40 -0.27 0.00 0.04 0.00 0.00 61.00 61.82 2g1e s PRO 86 Cb -0.35 -1.71 -0.11 0.00 0.04 0.00 0.00 34.50 32.38 2g1e s PRO 86 CO 0.29 -2.93 1.39 0.28 0.04 0.00 0.00 177.00 176.06 2g1e n VAL 87 N -4.30 2.27 -2.07 -0.36 0.31 -1.26 -1.58 118.33 111.34 2g1e n VAL 87 Ca 0.06 -0.50 -0.16 0.00 -0.01 0.00 0.00 64.34 63.73 2g1e n VAL 87 Cb 0.58 -1.77 -0.03 0.00 -0.91 0.00 0.00 33.84 31.71 2g1e n VAL 87 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2g1e n ALA 88 N 0.15 -0.54 -0.65 3.52 0.00 -1.26 -4.82 120.51 116.91 2g1e n ALA 88 Ca 0.04 0.17 0.06 0.00 0.00 0.00 0.00 53.44 53.72 2g1e n ALA 88 Cb 0.39 -1.70 0.36 0.00 0.00 0.00 0.00 19.45 18.49 2g1e n ALA 88 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2g1e n GLY 89 N -0.67 2.78 0.00 0.00 0.00 -0.62 -5.03 105.19 101.66 2g1e n GLY 89 Ca -0.17 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.03 2g1e n GLY 89 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93