#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 2.06 -0.36 3.17 -7.23 0.78 -4.82 120.40 114.01 2g1e s VAL 2 Ca 0.00 -1.06 -0.18 0.00 -1.81 0.00 0.00 61.98 58.93 2g1e s VAL 2 Cb 0.00 -1.74 -0.00 0.00 0.56 0.00 0.00 36.38 35.20 2g1e s VAL 2 CO 0.00 0.57 0.48 -0.89 -0.31 0.00 0.00 175.10 174.95 2g1e s THR 3 N -0.16 5.05 -0.00 5.32 2.01 -0.69 -0.94 115.64 126.22 2g1e s THR 3 Ca -0.04 0.18 0.02 0.00 0.31 0.00 0.00 61.69 62.16 2g1e s THR 3 Cb -0.14 -3.96 -0.04 0.00 0.01 0.00 0.00 72.50 68.38 2g1e s THR 3 CO 0.04 -0.24 -0.02 0.54 -0.69 0.00 0.00 174.62 174.25 2g1e s VAL 4 N 2.31 4.04 0.22 3.82 0.11 -0.16 -1.07 120.40 129.66 2g1e s VAL 4 Ca 0.17 -0.63 0.09 0.00 -2.93 0.00 0.00 61.98 58.68 2g1e s VAL 4 Cb -0.16 -2.79 -0.04 0.00 -1.53 0.00 0.00 36.38 31.86 2g1e s VAL 4 CO 0.13 0.39 -0.07 -0.13 -3.33 0.00 0.00 175.10 172.09 2g1e s ARG 5 N -1.50 2.11 -0.05 1.54 0.52 0.51 -1.88 118.95 120.19 2g1e s ARG 5 Ca 0.19 -1.36 0.02 0.00 -0.52 0.00 0.00 55.73 54.06 2g1e s ARG 5 Cb -0.11 -2.13 0.02 0.00 0.52 0.00 0.00 34.95 33.24 2g1e s ARG 5 CO 0.09 0.40 -0.10 0.71 0.02 0.00 0.00 175.30 176.43 2g1e s TYR 6 N -1.97 1.19 0.00 -0.53 2.02 -0.74 -1.96 117.35 115.37 2g1e s TYR 6 Ca 0.27 -0.41 0.00 0.00 -0.37 0.00 0.00 57.07 56.57 2g1e s TYR 6 Cb -0.08 -0.91 0.00 0.00 -0.40 0.00 0.00 41.96 40.57 2g1e s TYR 6 CO 0.17 -0.23 0.00 0.66 -1.57 0.00 0.00 175.55 174.57 2g1e n TYR 7 N 3.83 0.00 -0.01 2.71 4.02 -0.72 -4.73 117.16 122.26 2g1e n TYR 7 Ca -0.23 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.66 2g1e n TYR 7 Cb 0.52 0.01 0.00 0.00 -0.02 0.00 0.00 39.34 39.84 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 -1.93 0.00 0.15 -0.72 0.00 -1.22 -4.67 120.51 112.12 2g1e n ALA 8 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.51 2g1e n ALA 8 Cb 0.21 0.00 0.34 0.00 0.00 0.00 0.00 19.45 19.99 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 -0.72 1.37 0.01 0.00 -2.24 -1.26 -1.91 114.28 109.54 2g1e n THR 9 Ca 0.00 0.56 0.02 0.00 -2.27 0.00 0.00 64.05 62.36 2g1e n THR 9 Cb 0.00 -1.53 0.38 0.00 -2.10 0.00 0.00 70.33 67.08 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 0.45 0.35 3.22 6.46 -1.96 -2.06 115.31 121.77 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 0.06 -0.11 -0.02 0.00 -0.73 0.00 0.00 40.66 39.86 2g1e h LEU 10 CO 0.00 0.42 -0.38 0.03 -0.62 0.00 0.00 178.44 177.90 2g1e h ARG 11 N 0.50 -0.71 0.00 1.25 2.47 -1.62 -1.28 114.38 114.99 2g1e h ARG 11 Ca 0.12 0.05 0.00 0.00 -1.26 0.00 0.00 59.98 58.89 2g1e h ARG 11 Cb 0.12 0.16 0.00 0.00 -1.65 0.00 0.00 29.97 28.61 2g1e h ARG 11 CO -0.01 -0.47 0.00 -0.35 0.56 0.00 0.00 179.97 179.70 2g1e n PRO 12 N -4.68 0.13 0.09 0.04 -0.04 -1.17 0.14 135.00 129.50 2g1e n PRO 12 Ca -0.09 0.19 -0.23 0.00 -0.04 0.00 0.00 63.50 63.33 2g1e n PRO 12 Cb 0.34 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.15 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 1.08 -0.01 0.52 2.04 -0.61 -3.36 117.51 117.17 2g1e h ILE 13 Ca 0.00 -2.55 0.00 0.00 1.00 0.00 0.00 64.86 63.31 2g1e h ILE 13 Cb 0.18 2.86 0.00 0.00 -0.74 0.00 0.00 36.82 39.12 2g1e h ILE 13 CO 0.00 0.82 -0.49 0.41 0.00 0.00 0.00 178.15 178.89 2g1e n THR 14 N -3.70 0.00 -2.95 -0.27 -1.04 -0.56 -5.02 114.28 100.74 2g1e n THR 14 Ca -0.22 -0.25 -0.12 0.00 -2.04 0.00 0.00 64.05 61.42 2g1e n THR 14 Cb 1.05 1.09 0.06 0.00 -1.82 0.00 0.00 70.33 70.70 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 -0.75 -1.83 -3.73 -2.82 4.81 0.12 -5.04 118.16 108.93 2g1e n LYS 15 Ca 0.04 0.75 -0.05 0.00 -0.87 0.00 0.00 58.31 58.19 2g1e n LYS 15 Cb 0.27 -5.10 -0.02 0.00 0.02 0.00 0.00 35.03 30.20 2g1e n LYS 15 CO 0.00 0.00 0.00 -1.59 1.17 0.00 0.00 177.40 176.98 2g1e s LYS 16 N -4.09 1.24 -0.02 1.64 -2.85 -1.03 -5.05 119.74 109.58 2g1e s LYS 16 Ca 0.36 -0.66 0.01 0.00 -1.00 0.00 0.00 55.97 54.69 2g1e s LYS 16 Cb -0.05 0.44 -0.02 0.00 -2.06 0.00 0.00 37.83 36.14 2g1e s LYS 16 CO 0.62 -0.57 0.00 0.36 0.10 0.00 0.00 175.35 175.86 2g1e n LYS 17 N -0.44 3.51 -3.69 1.78 2.85 -1.26 -4.53 118.16 116.37 2g1e n LYS 17 Ca -0.06 -0.00 -0.14 0.00 -1.05 0.00 0.00 58.31 57.06 2g1e n LYS 17 Cb 0.61 -1.05 -0.09 0.00 -0.65 0.00 0.00 35.03 33.86 2g1e n LYS 17 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 177.40 175.35 2g1e s GLU 18 N -2.04 0.67 0.15 -1.58 -6.30 -1.26 -1.79 118.70 106.55 2g1e s GLU 18 Ca -0.01 0.38 -0.14 0.00 -2.50 0.00 0.00 54.97 52.70 2g1e s GLU 18 Cb 0.01 0.32 0.02 0.00 0.00 0.00 0.00 34.13 34.47 2g1e s GLU 18 CO 0.07 -0.14 0.39 -1.21 0.02 0.00 0.00 175.26 174.39 2g1e s GLU 19 N -0.38 1.17 0.14 4.30 0.41 -0.79 -5.02 118.70 118.52 2g1e s GLU 19 Ca -0.05 -0.90 0.07 0.00 -0.41 0.00 0.00 54.97 53.68 2g1e s GLU 19 Cb -0.03 0.45 -0.04 0.00 -1.78 0.00 0.00 34.13 32.73 2g1e s GLU 19 CO 0.03 -0.46 -0.06 0.95 -0.49 0.00 0.00 175.26 175.24 2g1e s THR 20 N -3.87 3.53 0.13 3.63 -4.23 -1.26 -0.99 115.64 112.57 2g1e s THR 20 Ca 0.09 -1.35 0.00 0.00 -1.18 0.00 0.00 61.69 59.25 2g1e s THR 20 Cb 0.02 -2.71 -0.04 0.00 1.34 0.00 0.00 72.50 71.10 2g1e s THR 20 CO -0.06 0.01 0.01 -0.36 -0.54 0.00 0.00 174.62 173.68 2g1e s PHE 21 N -1.47 0.91 -0.02 3.99 0.08 -0.11 -4.93 117.98 116.43 2g1e s PHE 21 Ca 0.24 -1.11 0.01 0.00 0.12 0.00 0.00 56.93 56.19 2g1e s PHE 21 Cb -0.10 -0.53 0.01 0.00 -0.57 0.00 0.00 43.02 41.83 2g1e s PHE 21 CO 0.16 -0.37 -0.03 1.21 -0.10 0.00 0.00 175.22 176.09 2g1e s ASN 22 N -3.06 0.58 0.00 1.36 2.47 -1.26 -0.15 114.94 114.87 2g1e s ASN 22 Ca 0.20 -0.08 0.00 0.00 0.42 0.00 0.00 52.86 53.40 2g1e s ASN 22 Cb 0.07 -0.18 0.00 0.00 -1.45 0.00 0.00 41.25 39.68 2g1e s ASN 22 CO -0.00 -0.01 0.00 0.61 -3.72 0.00 0.00 177.10 173.98 2g1e n GLY 23 N 3.52 1.78 3.61 1.21 0.00 -1.26 -5.06 105.19 108.99 2g1e n GLY 23 Ca -0.20 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.31 5.05 -0.01 -0.61 1.01 -1.26 -4.88 121.20 118.18 2g1e s ILE 24 Ca 0.00 0.82 0.02 0.00 0.00 0.00 0.00 60.65 61.49 2g1e s ILE 24 Cb 0.00 -3.86 -0.03 0.00 0.01 0.00 0.00 42.46 38.58 2g1e s ILE 24 CO 0.00 0.03 0.03 -0.24 0.00 0.00 0.00 174.94 174.77 2g1e n SER 25 N 5.60 4.45 -4.47 3.58 2.88 -1.26 -4.82 113.62 119.58 2g1e n SER 25 Ca -0.04 0.00 -0.25 0.00 -1.33 0.00 0.00 58.87 57.25 2g1e n SER 25 Cb 0.50 0.87 -0.10 0.00 -0.75 0.00 0.00 64.21 64.72 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 -2.12 1.67 0.18 -1.46 -0.14 -1.26 -3.03 119.74 113.58 2g1e s LYS 26 Ca -0.01 -1.63 -0.11 0.00 -1.36 0.00 0.00 55.97 52.86 2g1e s LYS 26 Cb 0.01 -1.84 0.08 0.00 -1.68 0.00 0.00 37.83 34.40 2g1e s LYS 26 CO 0.10 0.36 1.71 0.82 -0.76 0.00 0.00 175.35 177.58 2g1e h ILE 27 N 2.64 1.24 -0.12 2.17 1.08 -1.61 -2.43 117.51 120.48 2g1e h ILE 27 Ca -0.43 -0.81 0.05 0.00 -0.39 0.00 0.00 64.86 63.28 2g1e h ILE 27 Cb 1.24 0.61 -0.06 0.00 -3.07 0.00 0.00 36.82 35.54 2g1e h ILE 27 CO 0.55 0.31 -0.25 0.77 -0.69 0.00 0.00 178.15 178.84 2g1e h SER 28 N 0.87 -0.76 -0.40 1.72 4.64 -1.74 -0.30 113.55 117.58 2g1e h SER 28 Ca 0.20 0.12 -0.00 0.00 -0.47 0.00 0.00 61.79 61.64 2g1e h SER 28 Cb 0.27 0.33 -0.02 0.00 -0.31 0.00 0.00 62.40 62.67 2g1e h SER 28 CO -0.01 -0.30 0.25 -0.33 -0.87 0.00 0.00 176.83 175.57 2g1e h GLU 29 N -0.32 0.56 0.10 4.77 5.08 -1.84 -2.69 114.58 120.24 2g1e h GLU 29 Ca 0.10 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.41 2g1e h GLU 29 Cb 0.46 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.59 2g1e h GLU 29 CO -0.30 0.39 -0.05 1.25 -1.00 0.00 0.00 179.01 179.30 2g1e h LEU 30 N 0.57 -0.12 -0.33 1.33 7.12 -0.68 -2.04 115.31 121.15 2g1e h LEU 30 Ca 0.15 -0.14 0.07 0.00 0.13 0.00 0.00 57.88 58.10 2g1e h LEU 30 Cb -0.02 0.03 -0.07 0.00 -0.53 0.00 0.00 40.66 40.07 2g1e h LEU 30 CO -0.03 0.06 -0.14 -0.07 -0.13 0.00 0.00 178.44 178.13 2g1e h LEU 31 N -0.30 -0.49 -1.98 2.25 -0.00 -0.80 0.89 115.31 114.89 2g1e h LEU 31 Ca -0.01 0.12 0.02 0.00 -0.00 0.00 0.00 57.88 58.01 2g1e h LEU 31 Cb 0.25 0.28 -0.00 0.00 -0.00 0.00 0.00 40.66 41.18 2g1e h LEU 31 CO 0.02 -0.18 0.06 -0.33 -0.00 0.00 0.00 178.44 178.01 2g1e h GLU 32 N -0.08 0.03 -0.01 1.13 5.08 -1.44 -0.70 114.58 118.59 2g1e h GLU 32 Ca 0.17 -0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.40 2g1e h GLU 32 Cb 0.34 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 2g1e h GLU 32 CO -0.39 0.02 -0.59 0.00 -1.00 0.00 0.00 179.01 177.05 2g1e h ARG 33 N 0.03 0.02 0.01 2.33 2.47 -0.11 -2.54 114.38 116.59 2g1e h ARG 33 Ca 0.04 -0.01 -0.00 0.00 -1.26 0.00 0.00 59.98 58.74 2g1e h ARG 33 Cb 0.11 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.43 2g1e h ARG 33 CO -0.00 0.60 -0.01 -0.07 0.56 0.00 0.00 179.97 181.05 2g1e h LEU 34 N 0.02 -0.02 -1.16 3.04 3.38 -0.03 0.27 115.31 120.82 2g1e h LEU 34 Ca -0.01 -0.47 -0.01 0.00 0.09 0.00 0.00 57.88 57.49 2g1e h LEU 34 Cb 1.04 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.76 2g1e h LEU 34 CO 0.08 0.46 0.44 0.50 0.09 0.00 0.00 178.44 180.01 2g1e h LYS 35 N -0.50 1.02 0.18 1.13 3.64 -1.51 0.29 116.57 120.81 2g1e h LYS 35 Ca -0.00 -0.09 -0.01 0.00 -1.27 0.00 0.00 60.65 59.27 2g1e h LYS 35 Cb 0.48 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 2g1e h LYS 35 CO 0.00 0.72 -0.08 0.28 -2.27 0.00 0.00 179.45 178.10 2g1e h VAL 36 N 1.03 0.49 -0.10 2.00 2.07 -1.44 0.24 116.25 120.54 2g1e h VAL 36 Ca 0.27 -1.06 0.03 0.00 0.82 0.00 0.00 66.70 66.76 2g1e h VAL 36 Cb -0.02 0.86 -0.03 0.00 -1.52 0.00 0.00 31.29 30.58 2g1e h VAL 36 CO -0.05 0.14 -0.09 -0.08 0.02 0.00 0.00 177.57 177.52 2g1e h GLU 37 N -0.99 -0.10 0.00 1.57 4.57 -0.42 -1.57 114.58 117.64 2g1e h GLU 37 Ca -0.02 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 2g1e h GLU 37 Cb 0.41 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.02 2g1e h GLU 37 CO 0.04 -0.07 0.00 1.88 -1.18 0.00 0.00 179.01 179.68 2g1e h TYR 38 N -0.10 0.00 0.00 0.92 0.05 -0.56 -3.50 116.97 113.78 2g1e h TYR 38 Ca 0.07 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.85 2g1e h TYR 38 Cb 0.20 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.94 2g1e h TYR 38 CO -0.20 0.00 0.00 0.41 -1.05 0.00 0.00 178.16 177.32 2g1e n GLY 39 N 0.88 -2.01 0.15 3.88 0.00 0.85 -4.04 105.19 104.90 2g1e n GLY 39 Ca 0.04 -1.47 -0.00 0.00 0.00 0.00 0.00 46.02 44.59 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 0.00 -0.97 1.61 4.64 -1.88 -3.13 113.55 113.82 2g1e h SER 40 Ca 0.00 0.00 0.22 0.00 -0.47 0.00 0.00 61.79 61.54 2g1e h SER 40 Cb 0.00 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 61.97 2g1e h SER 40 CO 0.00 0.55 0.55 -0.08 -0.87 0.00 0.00 176.83 176.99 2g1e h GLU 41 N 0.00 0.58 0.13 4.77 4.81 -1.90 0.29 114.58 123.25 2g1e h GLU 41 Ca -0.01 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.18 2g1e h GLU 41 Cb 1.00 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.25 2g1e h GLU 41 CO 0.07 0.38 -0.06 0.35 -0.73 0.00 0.00 179.01 179.02 2g1e h PHE 42 N 0.59 -0.16 -0.96 0.92 3.57 -1.68 0.26 116.94 119.48 2g1e h PHE 42 Ca 0.60 -0.00 0.07 0.00 3.53 0.00 0.00 57.97 62.17 2g1e h PHE 42 Cb 1.09 0.05 -0.07 0.00 2.79 0.00 0.00 35.95 39.81 2g1e h PHE 42 CO -0.03 0.24 0.61 1.15 -2.23 0.00 0.00 178.31 178.05 2g1e h THR 43 N -0.60 1.07 -0.03 4.41 2.02 -1.35 0.64 112.91 119.07 2g1e h THR 43 Ca -0.02 -0.38 -0.05 0.00 0.77 0.00 0.00 66.41 66.73 2g1e h THR 43 Cb 0.47 -0.13 0.00 0.00 -1.74 0.00 0.00 68.15 66.74 2g1e h THR 43 CO 0.03 0.20 -0.18 0.11 0.37 0.00 0.00 175.52 176.05 2g1e h LYS 44 N 1.11 0.17 0.00 6.66 1.79 -0.47 0.31 116.57 126.14 2g1e h LYS 44 Ca 0.42 -0.15 -0.00 0.00 -2.18 0.00 0.00 60.65 58.74 2g1e h LYS 44 Cb 0.18 0.03 -0.00 0.00 -1.58 0.00 0.00 32.23 30.86 2g1e h LYS 44 CO -0.18 0.81 -0.00 1.96 -1.08 0.00 0.00 179.45 180.96 2g1e h GLN 45 N -0.42 0.00 0.01 3.15 1.08 -0.18 -2.31 115.11 116.44 2g1e h GLN 45 Ca -0.01 0.00 -0.37 0.00 -1.45 0.00 0.00 58.65 56.82 2g1e h GLN 45 Cb 0.85 0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 28.22 2g1e h GLN 45 CO 0.04 0.00 -2.33 -1.33 -0.95 0.00 0.00 178.83 174.26 2g1e n MET 46 N -3.14 0.68 -2.04 1.46 2.81 0.19 -4.88 117.12 112.20 2g1e n MET 46 Ca -0.03 0.09 -0.43 0.00 -1.81 0.00 0.00 57.70 55.53 2g1e n MET 46 Cb 0.10 -1.56 -0.03 0.00 -0.71 0.00 0.00 33.22 31.03 2g1e n MET 46 CO 0.00 0.00 0.00 0.71 1.51 0.00 0.00 175.97 178.19 2g1e s TYR 47 N -2.51 1.89 -0.56 2.03 1.51 0.11 -4.69 117.35 115.13 2g1e s TYR 47 Ca -0.19 0.60 0.02 0.00 -1.01 0.00 0.00 57.07 56.50 2g1e s TYR 47 Cb 0.07 -4.13 0.14 0.00 -0.11 0.00 0.00 41.96 37.93 2g1e s TYR 47 CO 0.75 -2.90 0.32 -0.51 -1.11 0.00 0.00 175.55 172.09 2g1e s ASP 48 N 5.64 4.56 0.00 2.29 1.01 -1.26 -4.84 116.67 124.06 2g1e s ASP 48 Ca 0.77 -3.02 0.00 0.00 0.71 0.00 0.00 52.55 51.02 2g1e s ASP 48 Cb -0.22 -1.69 0.00 0.00 1.01 0.00 0.00 42.92 42.01 2g1e s ASP 48 CO 0.33 -0.26 0.00 0.61 0.21 0.00 0.00 175.17 176.07 2g1e n GLY 49 N 3.15 2.35 1.04 0.21 0.00 -1.26 -4.71 105.19 105.97 2g1e n GLY 49 Ca 0.06 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.38 2g1e n GLY 49 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2g1e n ASN 50 N 2.05 0.00 -4.16 1.61 3.02 -1.26 -5.15 115.26 111.37 2g1e n ASN 50 Ca 0.00 0.00 -0.15 0.00 -0.03 0.00 0.00 54.58 54.40 2g1e n ASN 50 Cb 0.00 0.01 -0.11 0.00 -0.61 0.00 0.00 39.78 39.06 2g1e n ASN 50 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 2g1e s ASN 51 N -1.57 1.43 0.00 6.41 -0.87 -1.26 -4.95 114.94 114.14 2g1e s ASN 51 Ca 0.00 -0.73 0.00 0.00 -1.57 0.00 0.00 52.86 50.56 2g1e s ASN 51 Cb 0.00 -0.00 0.00 0.00 -0.02 0.00 0.00 41.25 41.23 2g1e s ASN 51 CO 0.00 -0.21 0.00 -0.11 -2.57 0.00 0.00 177.10 174.21 2g1e n LEU 52 N 0.84 2.71 0.03 0.60 0.00 -1.26 -4.67 117.00 115.25 2g1e n LEU 52 Ca -0.18 0.00 0.20 0.00 0.00 0.00 0.00 56.01 56.02 2g1e n LEU 52 Cb 0.56 0.00 0.70 0.00 0.00 0.00 0.00 43.42 44.69 2g1e n LEU 52 CO 0.25 0.45 1.18 -0.26 0.00 0.00 0.00 177.39 179.00 2g1e h PHE 53 N 0.00 0.00 0.00 1.96 0.04 -1.94 0.63 116.94 117.63 2g1e h PHE 53 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 2g1e h PHE 53 Cb 0.94 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.09 2g1e h PHE 53 CO 0.00 0.00 0.00 1.57 -0.60 0.00 0.00 178.31 179.28 2g1e h LYS 54 N 0.00 0.00 0.00 1.51 2.10 -2.01 -2.81 116.57 115.35 2g1e h LYS 54 Ca 0.23 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.88 2g1e h LYS 54 Cb 0.94 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.27 2g1e h LYS 54 CO -0.00 0.00 -0.36 0.09 -2.00 0.00 0.00 179.45 177.18 2g1e n ASN 55 N -2.62 1.81 -4.48 7.07 3.02 0.12 -5.07 115.26 115.11 2g1e n ASN 55 Ca -0.00 -0.27 -0.38 0.00 -0.03 0.00 0.00 54.58 53.89 2g1e n ASN 55 Cb 0.16 0.90 0.04 0.00 -0.61 0.00 0.00 39.78 40.27 2g1e n ASN 55 CO 0.00 0.00 0.00 0.55 -2.62 0.00 0.00 177.26 175.19 2g1e n VAL 56 N -1.09 2.38 -4.03 2.41 3.14 0.18 -4.62 118.33 116.70 2g1e n VAL 56 Ca 0.00 -0.50 -0.31 0.00 -2.96 0.00 0.00 64.34 60.57 2g1e n VAL 56 Cb 0.00 -0.72 -0.16 0.00 -1.06 0.00 0.00 33.84 31.90 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 -1.69 1.82 -0.06 1.55 2.07 -1.24 -4.96 121.20 118.69 2g1e s ILE 57 Ca 0.69 -1.10 0.05 0.00 -1.41 0.00 0.00 60.65 58.88 2g1e s ILE 57 Cb -0.45 -1.84 -0.01 0.00 0.13 0.00 0.00 42.46 40.29 2g1e s ILE 57 CO 0.54 0.21 -0.23 0.27 -1.91 0.00 0.00 174.94 173.82 2g1e s ILE 58 N 1.32 1.87 -0.24 2.00 -0.00 -1.26 -2.47 121.20 122.42 2g1e s ILE 58 Ca -0.01 -0.95 -0.09 0.00 -0.00 0.00 0.00 60.65 59.59 2g1e s ILE 58 Cb -0.16 -1.59 -0.04 0.00 -0.00 0.00 0.00 42.46 40.66 2g1e s ILE 58 CO -0.09 0.52 0.12 -0.76 -0.00 0.00 0.00 174.94 174.74 2g1e s LEU 59 N -0.02 3.79 -0.21 0.37 1.43 -0.95 -3.71 118.68 119.39 2g1e s LEU 59 Ca -0.06 -0.04 -0.09 0.00 -1.03 0.00 0.00 54.13 52.91 2g1e s LEU 59 Cb -0.14 -2.02 -0.04 0.00 0.03 0.00 0.00 46.19 44.02 2g1e s LEU 59 CO 0.04 0.02 0.11 0.54 0.23 0.00 0.00 176.35 177.29 2g1e s VAL 60 N 1.33 5.07 -1.00 -1.59 0.11 -0.21 -1.71 120.40 122.39 2g1e s VAL 60 Ca 0.06 0.07 -0.02 0.00 -2.93 0.00 0.00 61.98 59.16 2g1e s VAL 60 Cb -0.15 -3.33 0.02 0.00 -1.53 0.00 0.00 36.38 31.39 2g1e s VAL 60 CO 0.05 0.40 0.13 -3.20 -3.33 0.00 0.00 175.10 169.15 2g1e n ASN 61 N 3.96 -3.57 -1.97 3.54 4.05 0.42 -1.99 115.26 119.69 2g1e n ASN 61 Ca -0.16 0.08 -0.04 0.00 0.45 0.00 0.00 54.58 54.91 2g1e n ASN 61 Cb 0.52 -3.03 0.02 0.00 1.23 0.00 0.00 39.78 38.52 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 -0.87 0.29 3.65 8.20 0.00 -1.26 -5.03 105.19 110.17 2g1e n GLY 62 Ca -0.10 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.05 0.22 1.61 3.84 -0.84 -5.14 114.94 111.42 2g1e s ASN 63 Ca 0.12 0.09 -0.31 0.00 0.21 0.00 0.00 52.86 52.97 2g1e s ASN 63 Cb -0.02 0.66 -0.11 0.00 -0.55 0.00 0.00 41.25 41.23 2g1e s ASN 63 CO 0.22 -0.01 1.58 0.54 -2.79 0.00 0.00 177.10 176.63 2g1e s ASN 64 N 0.64 6.51 0.27 -4.21 2.20 -1.26 -1.05 114.94 118.05 2g1e s ASN 64 Ca -0.02 2.75 0.13 0.00 -0.94 0.00 0.00 52.86 54.78 2g1e s ASN 64 Cb -0.03 -2.61 0.27 0.00 -2.00 0.00 0.00 41.25 36.88 2g1e s ASN 64 CO -0.12 -0.85 1.54 0.16 -2.94 0.00 0.00 177.10 174.89 2g1e h ILE 65 N 3.75 1.21 -0.40 0.54 3.07 -1.82 -3.15 117.51 120.71 2g1e h ILE 65 Ca -0.44 -2.25 0.12 0.00 1.55 0.00 0.00 64.86 63.83 2g1e h ILE 65 Cb 1.21 2.29 -0.02 0.00 -0.27 0.00 0.00 36.82 40.04 2g1e h ILE 65 CO 0.87 0.59 0.38 0.71 -1.05 0.00 0.00 178.15 179.65 2g1e h THR 66 N 0.00 0.48 -0.75 0.16 1.35 -1.88 0.17 112.91 112.44 2g1e h THR 66 Ca -0.01 0.00 -0.44 0.00 -0.55 0.00 0.00 66.41 65.41 2g1e h THR 66 Cb 1.25 0.71 -0.23 0.00 -1.73 0.00 0.00 68.15 68.14 2g1e h THR 66 CO 0.08 0.00 0.57 -1.20 -0.25 0.00 0.00 175.52 174.71 2g1e n SER 67 N -3.89 5.07 0.00 5.36 7.64 -1.19 -4.69 113.62 121.92 2g1e n SER 67 Ca 0.07 -3.31 0.00 0.00 1.01 0.00 0.00 58.87 56.64 2g1e n SER 67 Cb 0.56 -0.87 0.00 0.00 -1.01 0.00 0.00 64.21 62.89 2g1e n SER 67 CO 0.00 0.00 0.00 0.80 -3.01 0.00 0.00 175.04 172.83 2g1e n MET 68 N -0.56 0.00 -4.29 1.43 0.00 0.38 -5.06 117.12 109.02 2g1e n MET 68 Ca 0.46 0.00 -0.18 0.00 -0.00 0.00 0.00 57.70 57.98 2g1e n MET 68 Cb 1.06 0.00 -0.11 0.00 0.00 0.00 0.00 33.22 34.18 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 1.17 0.00 2.12 2.47 0.03 -5.08 119.74 120.45 2g1e s LYS 69 Ca 0.00 -1.43 0.00 0.00 -1.56 0.00 0.00 55.97 52.98 2g1e s LYS 69 Cb 0.00 -0.98 0.00 0.00 -1.46 0.00 0.00 37.83 35.39 2g1e s LYS 69 CO 0.00 0.17 0.00 0.41 0.16 0.00 0.00 175.35 176.09 2g1e n GLY 70 N 0.03 0.47 0.11 5.54 0.00 -1.26 -3.91 105.19 106.17 2g1e n GLY 70 Ca -0.11 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.02 2g1e n GLY 70 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2g1e h LEU 71 N 0.00 0.00 -1.26 0.99 3.38 -1.98 -3.28 115.31 113.16 2g1e h LEU 71 Ca 0.00 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.91 2g1e h LEU 71 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2g1e h LEU 71 CO 0.00 0.03 0.00 -0.67 0.09 0.00 0.00 178.44 177.89 2g1e n ASP 72 N -2.57 1.83 -4.77 -0.43 2.03 -1.26 -2.71 116.55 108.67 2g1e n ASP 72 Ca 0.01 -2.00 -0.40 0.00 0.52 0.00 0.00 54.79 52.92 2g1e n ASP 72 Cb 0.52 -0.23 0.01 0.00 -0.72 0.00 0.00 41.12 40.69 2g1e n ASP 72 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 2g1e s THR 73 N -1.55 2.11 0.25 5.18 2.01 -1.24 -4.92 115.64 117.49 2g1e s THR 73 Ca 0.23 0.11 0.10 0.00 0.31 0.00 0.00 61.69 62.43 2g1e s THR 73 Cb 0.12 -3.07 -0.04 0.00 0.01 0.00 0.00 72.50 69.52 2g1e s THR 73 CO 0.15 0.02 -0.04 -1.61 -0.69 0.00 0.00 174.62 172.46 2g1e s GLU 74 N -2.25 2.21 0.15 4.92 2.02 -1.26 -1.89 118.70 122.60 2g1e s GLU 74 Ca 0.56 -1.40 0.05 0.00 0.02 0.00 0.00 54.97 54.20 2g1e s GLU 74 Cb -0.45 -2.14 -0.04 0.00 0.10 0.00 0.00 34.13 31.61 2g1e s GLU 74 CO 0.59 0.38 0.11 0.42 0.02 0.00 0.00 175.26 176.78 2g1e s ILE 75 N -2.20 4.42 0.79 -1.63 1.01 -1.17 -4.90 121.20 117.53 2g1e s ILE 75 Ca 0.30 -1.06 -0.09 0.00 0.00 0.00 0.00 60.65 59.81 2g1e s ILE 75 Cb -0.07 -3.23 0.12 0.00 0.01 0.00 0.00 42.46 39.29 2g1e s ILE 75 CO 0.19 -0.07 1.12 -0.54 0.00 0.00 0.00 174.94 175.64 2g1e s LYS 76 N -2.96 1.60 0.51 2.79 -0.14 -1.26 -4.90 119.74 115.37 2g1e s LYS 76 Ca 0.30 -0.45 0.25 0.00 -1.36 0.00 0.00 55.97 54.72 2g1e s LYS 76 Cb -0.10 -2.09 1.35 0.00 -1.68 0.00 0.00 37.83 35.31 2g1e s LYS 76 CO 0.23 -1.66 1.93 0.22 -0.76 0.00 0.00 175.35 175.30 2g1e h ASP 77 N -0.94 0.10 -0.68 2.83 3.58 -2.01 -0.12 116.42 119.18 2g1e h ASP 77 Ca -0.43 0.01 0.03 0.00 0.42 0.00 0.00 57.03 57.06 2g1e h ASP 77 Cb 1.28 -0.01 -0.04 0.00 1.72 0.00 0.00 39.33 42.28 2g1e h ASP 77 CO 0.50 0.04 0.43 0.44 -2.88 0.00 0.00 179.24 177.77 2g1e h ASP 78 N 0.10 0.71 -4.88 2.28 5.19 -1.97 -3.48 116.42 114.36 2g1e h ASP 78 Ca 0.35 -0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.76 2g1e h ASP 78 Cb 1.26 -0.16 0.00 0.00 0.18 0.00 0.00 39.33 40.62 2g1e h ASP 78 CO -0.04 0.49 -0.55 0.47 -3.12 0.00 0.00 179.24 176.50 2g1e n ASP 79 N -4.67 -7.05 -3.67 6.45 8.00 -0.06 -4.77 116.55 110.79 2g1e n ASP 79 Ca 0.07 0.69 -0.12 0.00 0.71 0.00 0.00 54.79 56.14 2g1e n ASP 79 Cb 0.08 -4.70 -0.12 0.00 -0.02 0.00 0.00 41.12 36.35 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 -2.06 0.20 -0.01 -1.24 2.20 -1.26 -1.71 119.74 115.87 2g1e s LYS 80 Ca 0.15 0.81 0.06 0.00 -0.36 0.00 0.00 55.97 56.62 2g1e s LYS 80 Cb -0.04 0.05 -0.02 0.00 -1.51 0.00 0.00 37.83 36.31 2g1e s LYS 80 CO 0.65 -0.27 -0.20 0.42 -0.36 0.00 0.00 175.35 175.60 2g1e s ILE 81 N 2.37 1.57 -0.08 5.43 1.01 -0.23 -0.44 121.20 130.83 2g1e s ILE 81 Ca -0.00 -0.89 0.05 0.00 0.00 0.00 0.00 60.65 59.80 2g1e s ILE 81 Cb -0.12 -1.31 -0.01 0.00 0.01 0.00 0.00 42.46 41.03 2g1e s ILE 81 CO -0.10 0.41 -0.23 -1.81 0.00 0.00 0.00 174.94 173.22 2g1e s ASP 82 N -0.55 3.24 -0.31 3.58 1.11 -0.69 -0.36 116.67 122.68 2g1e s ASP 82 Ca 0.08 -0.49 -0.07 0.00 0.18 0.00 0.00 52.55 52.24 2g1e s ASP 82 Cb -0.08 -1.13 0.01 0.00 1.07 0.00 0.00 42.92 42.79 2g1e s ASP 82 CO -0.00 0.21 0.10 -0.76 1.18 0.00 0.00 175.17 175.90 2g1e s LEU 83 N 0.04 4.00 0.10 1.23 2.01 -0.83 -2.23 118.68 123.01 2g1e s LEU 83 Ca -0.09 -0.78 0.10 0.00 0.01 0.00 0.00 54.13 53.37 2g1e s LEU 83 Cb -0.15 -1.90 -0.04 0.00 0.01 0.00 0.00 46.19 44.11 2g1e s LEU 83 CO 0.06 -0.23 -0.26 -0.36 1.01 0.00 0.00 176.35 176.57 2g1e s PHE 84 N 1.50 2.20 0.09 0.29 0.40 -1.03 -1.76 117.98 119.67 2g1e s PHE 84 Ca 0.02 -0.39 -0.31 0.00 -0.60 0.00 0.00 56.93 55.65 2g1e s PHE 84 Cb -0.18 -1.23 -0.07 0.00 0.51 0.00 0.00 43.02 42.05 2g1e s PHE 84 CO 0.03 0.25 1.37 -1.25 0.70 0.00 0.00 175.22 176.33 2g1e s PRO 85 N -1.79 4.33 0.96 0.24 0.04 -1.26 -3.63 135.00 133.89 2g1e s PRO 85 Ca 0.12 2.03 -0.12 0.00 0.04 0.00 0.00 61.00 63.07 2g1e s PRO 85 Cb -0.10 -3.30 0.17 0.00 0.04 0.00 0.00 34.50 31.31 2g1e s PRO 85 CO 0.05 -0.44 1.09 -1.25 0.04 0.00 0.00 177.00 176.49 2g1e s PRO 86 N 1.27 0.71 0.52 0.56 0.04 -1.26 -4.85 135.00 132.00 2g1e s PRO 86 Ca 0.64 0.62 0.30 0.00 0.04 0.00 0.00 61.00 62.60 2g1e s PRO 86 Cb -0.35 -1.76 1.36 0.00 0.04 0.00 0.00 34.50 33.78 2g1e s PRO 86 CO 0.30 -2.56 2.00 -0.39 0.04 0.00 0.00 177.00 176.39 2g1e h VAL 87 N -1.77 0.36 0.00 -0.36 -1.51 -1.96 -2.53 116.25 108.48 2g1e h VAL 87 Ca -0.53 -0.66 -0.16 0.00 -1.23 0.00 0.00 66.70 64.12 2g1e h VAL 87 Cb 1.31 1.49 -0.03 0.00 -2.13 0.00 0.00 31.29 31.93 2g1e h VAL 87 CO 0.56 0.11 -1.07 0.00 -1.23 0.00 0.00 177.57 175.94 2g1e h ALA 88 N 1.89 0.63 -2.63 5.19 0.00 -1.91 -3.44 119.26 118.99 2g1e h ALA 88 Ca -0.00 -0.77 -0.63 0.00 0.00 0.00 0.00 54.91 53.52 2g1e h ALA 88 Cb 0.48 0.12 -0.14 0.00 0.00 0.00 0.00 17.79 18.25 2g1e h ALA 88 CO 0.01 0.91 -0.12 0.20 0.00 0.00 0.00 179.25 180.25 2g1e s GLY 89 N -4.69 1.86 0.00 0.00 0.00 -0.95 -4.93 107.32 98.60 2g1e s GLY 89 Ca -0.00 -0.76 0.00 0.00 0.00 0.00 0.00 44.72 43.96 2g1e s GLY 89 CO 0.79 1.13 0.00 0.61 0.00 0.00 0.00 173.10 175.63