#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 1.87 -0.31 3.17 0.11 -0.77 -4.72 120.40 119.74 2g1e s VAL 2 Ca 0.00 -0.92 -0.11 0.00 -2.93 0.00 0.00 61.98 58.02 2g1e s VAL 2 Cb 0.00 -1.62 -0.02 0.00 -1.53 0.00 0.00 36.38 33.21 2g1e s VAL 2 CO 0.00 0.52 0.19 -0.89 -3.33 0.00 0.00 175.10 171.59 2g1e s THR 3 N 0.30 5.00 0.07 5.04 2.01 -0.50 -0.10 115.64 127.46 2g1e s THR 3 Ca -0.15 -0.18 0.02 0.00 0.31 0.00 0.00 61.69 61.69 2g1e s THR 3 Cb -0.17 -3.50 -0.04 0.00 0.01 0.00 0.00 72.50 68.81 2g1e s THR 3 CO 0.07 0.11 0.10 -0.69 -0.69 0.00 0.00 174.62 173.52 2g1e s VAL 4 N 1.69 4.71 0.09 3.82 1.01 0.84 -2.38 120.40 130.17 2g1e s VAL 4 Ca 0.06 -0.68 0.07 0.00 0.00 0.00 0.00 61.98 61.43 2g1e s VAL 4 Cb -0.17 -3.27 -0.04 0.00 0.00 0.00 0.00 36.38 32.91 2g1e s VAL 4 CO 0.09 0.14 -0.10 -0.13 0.00 0.00 0.00 175.10 175.09 2g1e s ARG 5 N -2.38 2.16 -0.13 2.72 0.52 0.76 -1.60 118.95 121.01 2g1e s ARG 5 Ca 0.30 -0.99 0.02 0.00 -0.52 0.00 0.00 55.73 54.54 2g1e s ARG 5 Cb -0.12 -2.31 0.01 0.00 0.52 0.00 0.00 34.95 33.05 2g1e s ARG 5 CO 0.23 0.52 -0.18 0.71 0.02 0.00 0.00 175.30 176.60 2g1e s TYR 6 N -1.17 2.26 0.00 -0.53 2.02 -0.52 -2.04 117.35 117.37 2g1e s TYR 6 Ca 0.20 -1.13 0.00 0.00 -0.37 0.00 0.00 57.07 55.77 2g1e s TYR 6 Cb -0.11 -1.59 0.00 0.00 -0.40 0.00 0.00 41.96 39.86 2g1e s TYR 6 CO 0.12 -0.56 0.00 0.66 -1.57 0.00 0.00 175.55 174.21 2g1e n TYR 7 N 4.24 0.00 0.00 2.71 4.01 -0.87 -4.64 117.16 122.61 2g1e n TYR 7 Ca -0.19 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.55 2g1e n TYR 7 Cb 0.51 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.54 2g1e n TYR 7 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2g1e n ALA 8 N -2.08 0.00 0.16 -0.72 0.00 -1.20 -4.63 120.51 112.03 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 0.32 0.00 0.36 0.00 0.00 0.00 0.00 19.45 20.13 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 -0.60 1.34 0.06 0.00 -2.24 -1.26 -1.84 114.28 109.74 2g1e n THR 9 Ca 0.00 0.57 0.03 0.00 -2.27 0.00 0.00 64.05 62.37 2g1e n THR 9 Cb 0.00 -1.54 0.39 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 0.35 0.29 3.22 5.85 -1.95 -2.28 115.31 120.79 2g1e h LEU 10 Ca 0.00 -0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.67 2g1e h LEU 10 Cb 0.06 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 40.98 2g1e h LEU 10 CO 0.00 0.39 -0.37 0.03 -0.34 0.00 0.00 178.44 178.15 2g1e h ARG 11 N 0.38 -0.66 0.00 1.25 2.47 -1.60 -0.32 114.38 115.90 2g1e h ARG 11 Ca 0.09 0.05 0.00 0.00 -1.26 0.00 0.00 59.98 58.85 2g1e h ARG 11 Cb 0.21 0.15 0.00 0.00 -1.65 0.00 0.00 29.97 28.68 2g1e h ARG 11 CO 0.00 -0.44 0.00 -0.35 0.56 0.00 0.00 179.97 179.74 2g1e n PRO 12 N -4.63 0.11 -0.01 0.04 -0.04 -1.18 0.13 135.00 129.42 2g1e n PRO 12 Ca -0.08 0.20 -0.20 0.00 -0.04 0.00 0.00 63.50 63.37 2g1e n PRO 12 Cb 0.33 -1.50 -0.13 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 1.20 -0.00 0.52 2.04 -0.72 -3.37 117.51 117.18 2g1e h ILE 13 Ca 0.00 -2.38 0.00 0.00 1.00 0.00 0.00 64.86 63.48 2g1e h ILE 13 Cb 0.19 2.82 0.00 0.00 -0.74 0.00 0.00 36.82 39.09 2g1e h ILE 13 CO 0.00 0.64 -0.91 0.41 0.00 0.00 0.00 178.15 178.28 2g1e n THR 14 N -4.12 0.00 -2.97 -0.27 -1.04 -0.22 -5.00 114.28 100.66 2g1e n THR 14 Ca -0.22 -0.04 -0.12 0.00 -2.04 0.00 0.00 64.05 61.63 2g1e n THR 14 Cb 0.80 1.02 0.06 0.00 -1.82 0.00 0.00 70.33 70.39 2g1e n THR 14 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 2g1e n LYS 15 N -1.29 -2.72 -3.81 -2.82 5.02 0.12 -5.03 118.16 107.63 2g1e n LYS 15 Ca 0.05 0.69 -0.05 0.00 -2.02 0.00 0.00 58.31 56.98 2g1e n LYS 15 Cb 0.35 -5.04 -0.01 0.00 -0.02 0.00 0.00 35.03 30.31 2g1e n LYS 15 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 2g1e s LYS 16 N -4.37 1.56 -0.02 1.97 -2.85 -1.05 -5.05 119.74 109.93 2g1e s LYS 16 Ca 0.27 -0.90 0.02 0.00 -1.00 0.00 0.00 55.97 54.36 2g1e s LYS 16 Cb -0.04 0.51 -0.02 0.00 -2.06 0.00 0.00 37.83 36.22 2g1e s LYS 16 CO 0.59 -0.72 0.00 1.63 0.10 0.00 0.00 175.35 176.96 2g1e n LYS 17 N -0.50 3.32 -3.69 1.78 5.02 -1.26 -4.53 118.16 118.30 2g1e n LYS 17 Ca -0.05 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.10 2g1e n LYS 17 Cb 0.60 -1.05 -0.09 0.00 -0.02 0.00 0.00 35.03 34.47 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 -2.05 0.66 0.15 1.97 -6.30 -1.26 -1.43 118.70 110.44 2g1e s GLU 18 Ca -0.01 0.43 -0.13 0.00 -2.50 0.00 0.00 54.97 52.75 2g1e s GLU 18 Cb 0.01 0.31 0.01 0.00 0.00 0.00 0.00 34.13 34.46 2g1e s GLU 18 CO 0.08 -0.13 0.37 -1.21 0.02 0.00 0.00 175.26 174.39 2g1e s GLU 19 N -0.30 1.15 0.16 4.30 0.41 -0.63 -5.01 118.70 118.78 2g1e s GLU 19 Ca -0.05 -0.94 0.06 0.00 -0.41 0.00 0.00 54.97 53.64 2g1e s GLU 19 Cb -0.03 0.44 -0.04 0.00 -1.78 0.00 0.00 34.13 32.71 2g1e s GLU 19 CO 0.03 -0.45 0.03 0.95 -0.49 0.00 0.00 175.26 175.33 2g1e s THR 20 N -3.88 3.94 0.12 3.63 -4.23 -1.26 -0.12 115.64 113.84 2g1e s THR 20 Ca 0.09 -1.27 -0.00 0.00 -1.18 0.00 0.00 61.69 59.34 2g1e s THR 20 Cb 0.02 -2.97 -0.04 0.00 1.34 0.00 0.00 72.50 70.85 2g1e s THR 20 CO -0.05 -0.06 0.02 -0.36 -0.54 0.00 0.00 174.62 173.62 2g1e s PHE 21 N -1.65 0.85 -0.05 3.99 0.08 0.86 -4.95 117.98 117.10 2g1e s PHE 21 Ca 0.28 -1.13 -0.05 0.00 0.12 0.00 0.00 56.93 56.15 2g1e s PHE 21 Cb -0.10 -0.50 0.02 0.00 -0.57 0.00 0.00 43.02 41.86 2g1e s PHE 21 CO 0.20 -0.40 0.14 -0.80 -0.10 0.00 0.00 175.22 174.26 2g1e s ASN 22 N -3.04 -0.15 0.00 1.36 -0.87 -1.26 -1.85 114.94 109.13 2g1e s ASN 22 Ca 0.19 0.29 0.00 0.00 -1.57 0.00 0.00 52.86 51.77 2g1e s ASN 22 Cb 0.07 0.29 0.00 0.00 -0.02 0.00 0.00 41.25 41.59 2g1e s ASN 22 CO -0.01 -0.06 0.00 0.61 -2.57 0.00 0.00 177.10 175.07 2g1e n GLY 23 N 3.08 2.56 3.69 0.66 0.00 -1.26 -5.07 105.19 108.85 2g1e n GLY 23 Ca -0.13 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.37 5.14 0.00 -0.61 1.01 -1.26 -4.91 121.20 118.19 2g1e s ILE 24 Ca 0.00 1.00 0.00 0.00 0.00 0.00 0.00 60.65 61.65 2g1e s ILE 24 Cb 0.00 -3.85 0.00 0.00 0.01 0.00 0.00 42.46 38.62 2g1e s ILE 24 CO 0.00 0.25 0.32 -1.20 0.00 0.00 0.00 174.94 174.30 2g1e n SER 25 N 4.23 0.63 -4.10 3.58 7.64 -1.26 -4.95 113.62 119.39 2g1e n SER 25 Ca -0.05 -0.93 -0.08 0.00 1.01 0.00 0.00 58.87 58.81 2g1e n SER 25 Cb 0.51 0.07 -0.10 0.00 -1.01 0.00 0.00 64.21 63.68 2g1e n SER 25 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2g1e s LYS 26 N -0.07 0.63 0.15 1.43 -0.14 -1.26 -3.72 119.74 116.76 2g1e s LYS 26 Ca 0.00 -1.19 -0.12 0.00 -1.36 0.00 0.00 55.97 53.30 2g1e s LYS 26 Cb 0.00 0.11 0.00 0.00 -1.68 0.00 0.00 37.83 36.26 2g1e s LYS 26 CO 0.00 -0.08 1.55 0.82 -0.76 0.00 0.00 175.35 176.88 2g1e h ILE 27 N 3.24 1.27 -0.04 2.17 1.08 -1.25 -2.17 117.51 121.81 2g1e h ILE 27 Ca -0.34 -1.27 0.04 0.00 -0.39 0.00 0.00 64.86 62.90 2g1e h ILE 27 Cb 1.15 1.11 -0.05 0.00 -3.07 0.00 0.00 36.82 35.97 2g1e h ILE 27 CO 0.63 0.44 -0.24 -1.28 -0.69 0.00 0.00 178.15 177.01 2g1e h SER 28 N 0.76 -0.72 0.26 1.72 0.87 -1.61 -0.03 113.55 114.80 2g1e h SER 28 Ca 0.12 0.11 -0.05 0.00 -1.23 0.00 0.00 61.79 60.73 2g1e h SER 28 Cb 0.69 0.30 -0.01 0.00 -0.44 0.00 0.00 62.40 62.94 2g1e h SER 28 CO 0.05 -0.30 -0.24 -0.33 -0.53 0.00 0.00 176.83 175.48 2g1e h GLU 29 N -0.35 0.00 0.04 2.24 4.39 -1.84 -2.59 114.58 116.46 2g1e h GLU 29 Ca 0.07 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.77 2g1e h GLU 29 Cb 0.46 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.11 2g1e h GLU 29 CO -0.25 0.24 -0.02 1.25 -1.16 0.00 0.00 179.01 179.08 2g1e h LEU 30 N 0.00 -0.04 -1.41 1.33 7.12 -0.54 0.24 115.31 122.01 2g1e h LEU 30 Ca -0.00 -0.25 -0.01 0.00 0.13 0.00 0.00 57.88 57.75 2g1e h LEU 30 Cb 0.43 0.01 -0.02 0.00 -0.53 0.00 0.00 40.66 40.55 2g1e h LEU 30 CO 0.03 0.23 0.26 -0.07 -0.13 0.00 0.00 178.44 178.75 2g1e h LEU 31 N -0.31 0.59 0.02 2.25 3.38 -0.89 -0.23 115.31 120.11 2g1e h LEU 31 Ca -0.00 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 2g1e h LEU 31 Cb 0.29 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.89 2g1e h LEU 31 CO 0.01 0.48 -0.01 -0.33 0.09 0.00 0.00 178.44 178.68 2g1e h GLU 32 N 0.67 -0.03 -0.05 1.13 5.08 -1.31 -2.54 114.58 117.53 2g1e h GLU 32 Ca 0.17 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.56 2g1e h GLU 32 Cb 0.03 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.26 2g1e h GLU 32 CO -0.03 0.63 -0.09 -0.09 -1.00 0.00 0.00 179.01 178.44 2g1e h ARG 33 N -0.72 -0.12 -0.13 2.33 1.12 -0.35 -1.59 114.38 114.91 2g1e h ARG 33 Ca -0.00 0.01 0.03 0.00 -1.11 0.00 0.00 59.98 58.91 2g1e h ARG 33 Cb 0.67 0.03 -0.04 0.00 -0.01 0.00 0.00 29.97 30.62 2g1e h ARG 33 CO 0.00 -0.08 -0.10 -0.07 -3.11 0.00 0.00 179.97 176.62 2g1e h LEU 34 N -0.13 -0.30 -1.46 3.80 4.07 -1.15 0.18 115.31 120.32 2g1e h LEU 34 Ca 0.05 0.06 0.15 0.00 0.08 0.00 0.00 57.88 58.23 2g1e h LEU 34 Cb 0.20 0.16 -0.06 0.00 1.08 0.00 0.00 40.66 42.04 2g1e h LEU 34 CO -0.13 -0.13 0.54 0.50 -1.08 0.00 0.00 178.44 178.14 2g1e h LYS 35 N -0.11 0.51 0.14 1.13 3.64 -1.19 0.67 116.57 121.37 2g1e h LYS 35 Ca 0.08 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.42 2g1e h LYS 35 Cb 0.22 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 31.93 2g1e h LYS 35 CO -0.19 0.34 -0.07 0.28 -2.27 0.00 0.00 179.45 177.54 2g1e h VAL 36 N 0.53 0.73 -0.39 2.00 2.07 -0.25 -0.58 116.25 120.36 2g1e h VAL 36 Ca 0.41 -1.21 0.08 0.00 0.82 0.00 0.00 66.70 66.79 2g1e h VAL 36 Cb 0.81 1.28 -0.08 0.00 -1.52 0.00 0.00 31.29 31.79 2g1e h VAL 36 CO -0.16 0.21 -0.11 -0.08 0.02 0.00 0.00 177.57 177.46 2g1e h GLU 37 N -0.93 -0.01 0.00 1.57 4.22 -0.31 0.11 114.58 119.23 2g1e h GLU 37 Ca -0.02 0.00 -0.05 0.00 0.08 0.00 0.00 59.36 59.37 2g1e h GLU 37 Cb 0.49 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 2g1e h GLU 37 CO 0.03 -0.01 -0.26 1.88 -2.18 0.00 0.00 179.01 178.47 2g1e h TYR 38 N -0.02 0.00 0.00 0.92 0.05 -1.00 -3.49 116.97 113.43 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 0.30 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.04 2g1e h TYR 38 CO -0.36 0.26 0.00 0.41 -1.05 0.00 0.00 178.16 177.43 2g1e n GLY 39 N 0.24 -2.07 0.16 3.88 0.00 0.03 -4.25 105.19 103.17 2g1e n GLY 39 Ca 0.00 -1.71 0.00 0.00 0.00 0.00 0.00 46.02 44.31 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 0.01 -1.00 1.61 4.64 -1.87 -3.08 113.55 113.86 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 0.53 0.60 -0.08 -0.87 0.00 0.00 176.83 177.01 2g1e h GLU 41 N 0.01 0.64 -0.15 4.77 4.81 -1.92 0.25 114.58 122.99 2g1e h GLU 41 Ca -0.00 -0.04 -0.12 0.00 -0.13 0.00 0.00 59.36 59.07 2g1e h GLU 41 Cb 0.93 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.16 2g1e h GLU 41 CO 0.07 0.43 -0.35 0.35 -0.73 0.00 0.00 179.01 178.77 2g1e h PHE 42 N 0.66 0.65 -0.43 0.92 3.57 -1.71 -0.16 116.94 120.44 2g1e h PHE 42 Ca 0.62 -0.25 -0.00 0.00 3.53 0.00 0.00 57.97 61.87 2g1e h PHE 42 Cb 1.08 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.68 2g1e h PHE 42 CO -0.01 0.98 0.25 1.15 -2.23 0.00 0.00 178.31 178.45 2g1e h THR 43 N 0.14 1.14 -0.25 4.41 2.02 -1.11 -1.64 112.91 117.62 2g1e h THR 43 Ca -0.00 -0.35 -0.14 0.00 0.77 0.00 0.00 66.41 66.69 2g1e h THR 43 Cb 0.96 0.59 -0.00 0.00 -1.74 0.00 0.00 68.15 67.96 2g1e h THR 43 CO 0.08 0.15 -0.38 0.11 0.37 0.00 0.00 175.52 175.84 2g1e h LYS 44 N 0.57 0.71 0.00 6.66 1.79 -0.64 0.32 116.57 125.97 2g1e h LYS 44 Ca 0.15 -0.42 -0.00 0.00 -2.18 0.00 0.00 60.65 58.20 2g1e h LYS 44 Cb 0.02 0.04 -0.00 0.00 -1.58 0.00 0.00 32.23 30.71 2g1e h LYS 44 CO -0.03 1.04 -0.00 1.96 -1.08 0.00 0.00 179.45 181.34 2g1e h GLN 45 N 0.44 0.00 0.00 3.15 1.08 -0.85 -2.44 115.11 116.49 2g1e h GLN 45 Ca 0.02 0.00 -0.35 0.00 -1.45 0.00 0.00 58.65 56.87 2g1e h GLN 45 Cb 0.98 0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 28.34 2g1e h GLN 45 CO 0.09 0.00 -2.32 -0.12 -0.95 0.00 0.00 178.83 175.54 2g1e n MET 46 N -3.17 0.83 -2.34 1.46 1.56 -0.63 -4.79 117.12 110.04 2g1e n MET 46 Ca -0.03 0.04 -0.41 0.00 -0.27 0.00 0.00 57.70 57.03 2g1e n MET 46 Cb 0.11 -1.48 -0.03 0.00 2.15 0.00 0.00 33.22 33.97 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 -2.46 2.21 -0.54 1.12 1.51 0.11 -4.80 117.35 114.49 2g1e s TYR 47 Ca -0.17 0.51 0.03 0.00 -1.01 0.00 0.00 57.07 56.43 2g1e s TYR 47 Cb 0.06 -4.35 0.13 0.00 -0.11 0.00 0.00 41.96 37.70 2g1e s TYR 47 CO 0.70 -2.07 0.29 0.34 -1.11 0.00 0.00 175.55 173.71 2g1e s ASP 48 N 4.81 4.43 0.00 2.29 2.15 -1.26 -4.83 116.67 124.26 2g1e s ASP 48 Ca 0.55 -3.03 0.00 0.00 0.43 0.00 0.00 52.55 50.51 2g1e s ASP 48 Cb -0.12 -1.66 0.00 0.00 -0.30 0.00 0.00 42.92 40.84 2g1e s ASP 48 CO 0.25 -0.24 0.00 0.61 -0.17 0.00 0.00 175.17 175.62 2g1e n GLY 49 N 3.11 2.34 1.63 2.66 0.00 -1.26 -4.74 105.19 108.94 2g1e n GLY 49 Ca 0.06 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.37 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 0.00 0.00 -4.63 1.61 5.15 -1.26 -5.14 115.26 110.99 2g1e n ASN 50 Ca 0.00 0.00 -0.24 0.00 -0.60 0.00 0.00 54.58 53.74 2g1e n ASN 50 Cb 0.00 0.17 -0.08 0.00 -0.53 0.00 0.00 39.78 39.34 2g1e n ASN 50 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 2g1e s ASN 51 N -3.44 4.29 0.37 1.20 4.22 -1.26 -5.05 114.94 115.26 2g1e s ASN 51 Ca 0.00 -0.86 0.00 0.00 -2.14 0.00 0.00 52.86 49.86 2g1e s ASN 51 Cb 0.00 -0.62 0.00 0.00 1.28 0.00 0.00 41.25 41.91 2g1e s ASN 51 CO 0.00 -0.14 0.00 -0.11 -2.04 0.00 0.00 177.10 174.81 2g1e n LEU 52 N -0.93 -1.89 -0.02 3.54 -0.00 -1.26 -4.28 117.00 112.16 2g1e n LEU 52 Ca -0.05 0.67 0.20 0.00 -0.00 0.00 0.00 56.01 56.83 2g1e n LEU 52 Cb 0.61 1.89 0.68 0.00 -0.00 0.00 0.00 43.42 46.60 2g1e n LEU 52 CO 0.42 -0.33 1.19 0.15 -0.00 0.00 0.00 177.39 178.82 2g1e h PHE 53 N 0.00 0.03 0.00 1.96 3.57 -1.93 0.44 116.94 121.01 2g1e h PHE 53 Ca 0.00 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 2g1e h PHE 53 Cb 0.00 -0.01 -0.00 0.00 2.79 0.00 0.00 35.95 38.73 2g1e h PHE 53 CO 0.00 0.01 -0.04 -0.22 -2.23 0.00 0.00 178.31 175.83 2g1e h LYS 54 N 0.03 0.00 0.00 1.11 3.64 -2.01 -2.69 116.57 116.65 2g1e h LYS 54 Ca 0.27 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.65 2g1e h LYS 54 Cb 1.04 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.86 2g1e h LYS 54 CO -0.01 0.04 -1.29 -1.71 -2.27 0.00 0.00 179.45 174.21 2g1e n ASN 55 N -3.46 2.96 -4.50 4.20 5.15 0.98 -5.04 115.26 115.54 2g1e n ASN 55 Ca -0.02 -0.05 -0.39 0.00 -0.60 0.00 0.00 54.58 53.52 2g1e n ASN 55 Cb 0.15 1.34 0.03 0.00 -0.53 0.00 0.00 39.78 40.77 2g1e n ASN 55 CO 0.00 0.00 0.00 0.55 1.40 0.00 0.00 177.26 179.21 2g1e n VAL 56 N -1.73 2.43 -4.06 3.44 3.14 0.11 -4.58 118.33 117.08 2g1e n VAL 56 Ca -0.01 -0.50 -0.32 0.00 -2.96 0.00 0.00 64.34 60.55 2g1e n VAL 56 Cb 0.20 -0.77 -0.15 0.00 -1.06 0.00 0.00 33.84 32.06 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 -1.62 2.13 -0.05 1.55 1.10 -1.24 -4.97 121.20 118.11 2g1e s ILE 57 Ca 0.69 -1.63 0.06 0.00 -0.51 0.00 0.00 60.65 59.26 2g1e s ILE 57 Cb -0.47 -2.26 -0.01 0.00 0.15 0.00 0.00 42.46 39.87 2g1e s ILE 57 CO 0.54 -0.05 -0.24 0.27 -2.11 0.00 0.00 174.94 173.34 2g1e s ILE 58 N 1.11 1.98 -0.20 2.00 -0.00 -1.26 -2.31 121.20 122.53 2g1e s ILE 58 Ca -0.08 -1.04 -0.03 0.00 -0.00 0.00 0.00 60.65 59.50 2g1e s ILE 58 Cb -0.20 -1.67 -0.01 0.00 -0.00 0.00 0.00 42.46 40.58 2g1e s ILE 58 CO -0.05 0.55 -0.06 -0.76 -0.00 0.00 0.00 174.94 174.63 2g1e s LEU 59 N -0.24 2.91 -0.17 0.37 1.43 -1.02 -3.90 118.68 118.05 2g1e s LEU 59 Ca -0.01 -0.35 -0.14 0.00 -1.03 0.00 0.00 54.13 52.60 2g1e s LEU 59 Cb -0.13 -1.72 -0.04 0.00 0.03 0.00 0.00 46.19 44.33 2g1e s LEU 59 CO 0.02 0.03 0.31 0.54 0.23 0.00 0.00 176.35 177.49 2g1e s VAL 60 N 1.16 5.28 -1.80 -1.59 0.11 0.99 -2.03 120.40 122.53 2g1e s VAL 60 Ca 0.02 0.57 -0.22 0.00 -2.93 0.00 0.00 61.98 59.42 2g1e s VAL 60 Cb -0.14 -3.65 0.22 0.00 -1.53 0.00 0.00 36.38 31.28 2g1e s VAL 60 CO -0.01 0.35 0.60 -0.46 -3.33 0.00 0.00 175.10 172.25 2g1e n ASN 61 N 3.82 -1.99 -2.36 3.54 6.94 0.86 -1.08 115.26 125.00 2g1e n ASN 61 Ca -0.11 -1.15 -0.07 0.00 -0.02 0.00 0.00 54.58 53.22 2g1e n ASN 61 Cb 0.52 -1.72 0.03 0.00 -2.36 0.00 0.00 39.78 36.25 2g1e n ASN 61 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2g1e n GLY 62 N -1.08 -0.11 3.65 4.83 0.00 -1.26 -5.00 105.19 106.22 2g1e n GLY 62 Ca 0.11 0.14 -0.02 0.00 0.00 0.00 0.00 46.02 46.25 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 -3.20 -0.00 0.21 1.61 3.84 -0.24 -5.14 114.94 112.02 2g1e s ASN 63 Ca 0.22 0.01 -0.30 0.00 0.21 0.00 0.00 52.86 52.99 2g1e s ASN 63 Cb -0.03 0.01 -0.10 0.00 -0.55 0.00 0.00 41.25 40.58 2g1e s ASN 63 CO 0.36 -0.00 1.44 0.21 -2.79 0.00 0.00 177.10 176.33 2g1e s ASN 64 N -0.10 6.69 0.20 -4.21 3.84 -1.26 -0.01 114.94 120.08 2g1e s ASN 64 Ca 0.08 2.59 0.08 0.00 0.21 0.00 0.00 52.86 55.82 2g1e s ASN 64 Cb -0.05 -2.61 0.09 0.00 -0.55 0.00 0.00 41.25 38.14 2g1e s ASN 64 CO -0.16 -0.70 1.45 0.16 -2.79 0.00 0.00 177.10 175.06 2g1e h ILE 65 N 3.73 1.54 -0.24 -5.21 3.07 -1.83 -3.14 117.51 115.43 2g1e h ILE 65 Ca -0.45 -2.65 0.07 0.00 1.55 0.00 0.00 64.86 63.39 2g1e h ILE 65 Cb 1.21 2.44 -0.01 0.00 -0.27 0.00 0.00 36.82 40.19 2g1e h ILE 65 CO 0.81 0.76 0.27 0.71 -1.05 0.00 0.00 178.15 179.65 2g1e h THR 66 N 0.03 0.44 0.00 0.16 1.35 -1.89 0.47 112.91 113.47 2g1e h THR 66 Ca -0.02 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.84 2g1e h THR 66 Cb 1.40 0.79 0.00 0.00 -1.73 0.00 0.00 68.15 68.60 2g1e h THR 66 CO 0.11 0.00 0.00 -0.24 -0.25 0.00 0.00 175.52 175.14 2g1e n SER 67 N -3.76 0.00 0.00 5.36 2.88 -1.18 -4.52 113.62 112.39 2g1e n SER 67 Ca 0.03 0.15 0.00 0.00 -1.33 0.00 0.00 58.87 57.72 2g1e n SER 67 Cb 0.40 -0.35 0.00 0.00 -0.75 0.00 0.00 64.21 63.52 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 -1.35 0.00 -4.48 -1.46 0.00 0.14 -5.14 117.12 104.83 2g1e n MET 68 Ca 0.08 0.00 -0.23 0.00 -0.00 0.00 0.00 57.70 57.55 2g1e n MET 68 Cb 0.17 0.00 -0.10 0.00 0.00 0.00 0.00 33.22 33.30 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 1.76 -0.05 2.12 2.20 0.07 -5.06 119.74 120.77 2g1e s LYS 69 Ca 0.00 -2.01 -0.05 0.00 -0.36 0.00 0.00 55.97 53.54 2g1e s LYS 69 Cb 0.00 -0.82 -0.02 0.00 -1.51 0.00 0.00 37.83 35.48 2g1e s LYS 69 CO 0.00 -0.28 -0.11 0.41 -0.36 0.00 0.00 175.35 175.01 2g1e n GLY 70 N -0.78 -0.45 0.01 5.54 0.00 -1.26 -3.57 105.19 104.68 2g1e n GLY 70 Ca -0.04 -0.10 0.06 0.00 0.00 0.00 0.00 46.02 45.94 2g1e n GLY 70 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2g1e n LEU 71 N -3.12 0.00 -0.63 0.99 -0.00 -1.26 -4.34 117.00 108.64 2g1e n LEU 71 Ca -0.04 0.00 0.06 0.00 -0.00 0.00 0.00 56.01 56.02 2g1e n LEU 71 Cb 0.16 0.03 0.15 0.00 -0.00 0.00 0.00 43.42 43.76 2g1e n LEU 71 CO 0.06 0.03 0.63 -0.67 -0.00 0.00 0.00 177.39 177.44 2g1e n ASP 72 N -2.06 1.83 -4.75 1.45 2.03 -1.26 -1.89 116.55 111.90 2g1e n ASP 72 Ca -0.04 -2.00 -0.41 0.00 0.52 0.00 0.00 54.79 52.86 2g1e n ASP 72 Cb 0.44 -0.23 -0.03 0.00 -0.72 0.00 0.00 41.12 40.59 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 2.90 0.35 5.18 2.01 -1.26 -4.90 115.64 118.38 2g1e s THR 73 Ca 0.23 0.81 0.08 0.00 0.31 0.00 0.00 61.69 63.12 2g1e s THR 73 Cb 0.12 -3.52 -0.03 0.00 0.01 0.00 0.00 72.50 69.08 2g1e s THR 73 CO 0.16 0.15 0.26 -1.61 -0.69 0.00 0.00 174.62 172.89 2g1e s GLU 74 N -0.84 2.59 0.12 4.92 2.02 -1.26 -0.99 118.70 125.25 2g1e s GLU 74 Ca 0.54 -1.41 0.04 0.00 0.02 0.00 0.00 54.97 54.16 2g1e s GLU 74 Cb -0.39 -2.37 -0.04 0.00 0.10 0.00 0.00 34.13 31.43 2g1e s GLU 74 CO 0.45 0.05 0.07 0.42 0.02 0.00 0.00 175.26 176.27 2g1e s ILE 75 N -2.37 4.33 0.84 -1.63 1.01 -1.24 -4.90 121.20 117.24 2g1e s ILE 75 Ca 0.41 -0.97 -0.11 0.00 0.00 0.00 0.00 60.65 59.98 2g1e s ILE 75 Cb -0.04 -3.13 0.13 0.00 0.01 0.00 0.00 42.46 39.43 2g1e s ILE 75 CO 0.26 0.03 1.18 -0.54 0.00 0.00 0.00 174.94 175.87 2g1e s LYS 76 N -2.64 1.43 0.57 2.79 -0.14 -1.26 -4.90 119.74 115.59 2g1e s LYS 76 Ca 0.29 -0.33 0.28 0.00 -1.36 0.00 0.00 55.97 54.85 2g1e s LYS 76 Cb -0.11 -2.00 1.51 0.00 -1.68 0.00 0.00 37.83 35.55 2g1e s LYS 76 CO 0.21 -1.84 1.98 -0.44 -0.76 0.00 0.00 175.35 174.50 2g1e h ASP 77 N -1.14 0.00 -0.57 2.83 3.32 -2.01 -0.68 116.42 118.18 2g1e h ASP 77 Ca -0.44 0.00 0.02 0.00 0.02 0.00 0.00 57.03 56.63 2g1e h ASP 77 Cb 1.28 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.79 2g1e h ASP 77 CO 0.50 0.00 0.35 0.44 -1.72 0.00 0.00 179.24 178.81 2g1e h ASP 78 N 0.00 0.57 -4.91 6.45 5.19 -1.96 -3.48 116.42 118.28 2g1e h ASP 78 Ca 0.19 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.60 2g1e h ASP 78 Cb 0.95 -0.12 0.00 0.00 0.18 0.00 0.00 39.33 40.34 2g1e h ASP 78 CO -0.00 0.40 -0.24 0.47 -3.12 0.00 0.00 179.24 176.75 2g1e n ASP 79 N -4.75 -6.86 -3.69 6.45 8.00 -0.26 -4.78 116.55 110.65 2g1e n ASP 79 Ca 0.05 0.23 -0.12 0.00 0.71 0.00 0.00 54.79 55.66 2g1e n ASP 79 Cb 0.07 -4.60 -0.12 0.00 -0.02 0.00 0.00 41.12 36.44 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 -2.61 0.22 -0.01 -1.24 2.20 -1.26 -1.41 119.74 115.63 2g1e s LYS 80 Ca 0.12 0.72 0.06 0.00 -0.36 0.00 0.00 55.97 56.51 2g1e s LYS 80 Cb -0.03 -0.02 -0.02 0.00 -1.51 0.00 0.00 37.83 36.26 2g1e s LYS 80 CO 0.63 -0.23 -0.20 0.42 -0.36 0.00 0.00 175.35 175.61 2g1e s ILE 81 N 1.96 1.58 -0.08 5.43 1.01 -1.00 -0.10 121.20 129.99 2g1e s ILE 81 Ca -0.04 -0.88 0.04 0.00 0.00 0.00 0.00 60.65 59.77 2g1e s ILE 81 Cb -0.11 -1.32 -0.01 0.00 0.01 0.00 0.00 42.46 41.03 2g1e s ILE 81 CO -0.10 0.43 -0.22 -1.81 0.00 0.00 0.00 174.94 173.25 2g1e s ASP 82 N -0.52 3.34 -0.27 3.58 1.01 -0.86 -0.17 116.67 122.77 2g1e s ASP 82 Ca 0.08 -0.47 -0.03 0.00 0.71 0.00 0.00 52.55 52.84 2g1e s ASP 82 Cb -0.08 -1.18 0.02 0.00 1.01 0.00 0.00 42.92 42.70 2g1e s ASP 82 CO -0.01 0.21 -0.02 -0.76 0.21 0.00 0.00 175.17 174.81 2g1e s LEU 83 N 0.05 3.44 0.10 1.23 1.43 -0.87 -2.44 118.68 121.63 2g1e s LEU 83 Ca -0.09 -0.87 0.10 0.00 -1.03 0.00 0.00 54.13 52.24 2g1e s LEU 83 Cb -0.15 -1.73 -0.04 0.00 0.03 0.00 0.00 46.19 44.31 2g1e s LEU 83 CO 0.06 -0.16 -0.26 -0.36 0.23 0.00 0.00 176.35 175.86 2g1e s PHE 84 N 1.36 2.35 0.02 0.29 0.40 -0.98 -2.04 117.98 119.38 2g1e s PHE 84 Ca 0.00 -0.37 -0.30 0.00 -0.60 0.00 0.00 56.93 55.65 2g1e s PHE 84 Cb -0.17 -1.32 -0.06 0.00 0.51 0.00 0.00 43.02 41.98 2g1e s PHE 84 CO -0.02 0.27 1.44 -1.25 0.70 0.00 0.00 175.22 176.35 2g1e s PRO 85 N -1.76 4.27 0.79 0.24 0.04 -1.26 -3.62 135.00 133.70 2g1e s PRO 85 Ca 0.14 2.02 -0.11 0.00 0.04 0.00 0.00 61.00 63.09 2g1e s PRO 85 Cb -0.10 -3.55 0.06 0.00 0.04 0.00 0.00 34.50 30.95 2g1e s PRO 85 CO 0.05 -0.59 1.09 -1.25 0.04 0.00 0.00 177.00 176.34 2g1e s PRO 86 N 2.34 2.15 0.28 0.56 0.04 -1.26 -4.87 135.00 134.24 2g1e s PRO 86 Ca 0.65 1.13 -0.30 0.00 0.04 0.00 0.00 61.00 62.52 2g1e s PRO 86 Cb -0.33 -1.89 -0.13 0.00 0.04 0.00 0.00 34.50 32.19 2g1e s PRO 86 CO 0.28 -1.71 1.36 1.33 0.04 0.00 0.00 177.00 178.29 2g1e n VAL 87 N -3.56 1.39 -3.03 -0.36 0.24 -1.26 -1.42 118.33 110.32 2g1e n VAL 87 Ca 0.09 -0.35 -0.21 0.00 -2.04 0.00 0.00 64.34 61.83 2g1e n VAL 87 Cb 0.53 -1.51 0.01 0.00 -1.47 0.00 0.00 33.84 31.40 2g1e n VAL 87 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2g1e n ALA 88 N 1.26 -0.96 -1.69 2.33 0.00 -1.26 -4.92 120.51 115.27 2g1e n ALA 88 Ca 0.09 0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.69 2g1e n ALA 88 Cb 0.33 -2.93 0.00 0.00 0.00 0.00 0.00 19.45 16.85 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 -1.23 0.51 0.01 0.00 0.00 -0.50 -4.95 105.19 99.02 2g1e n GLY 89 Ca -0.09 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.09 2g1e n GLY 89 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93