#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 1.80 -0.04 3.17 -7.23 0.85 -4.84 120.40 114.11 2g1e s VAL 2 Ca 0.00 -0.93 -0.19 0.00 -1.81 0.00 0.00 61.98 59.06 2g1e s VAL 2 Cb 0.00 -1.53 -0.05 0.00 0.56 0.00 0.00 36.38 35.36 2g1e s VAL 2 CO 0.00 0.51 0.52 -0.89 -0.31 0.00 0.00 175.10 174.92 2g1e s THR 3 N -0.11 5.02 0.08 5.32 2.01 -0.49 -0.57 115.64 126.90 2g1e s THR 3 Ca -0.03 1.07 0.09 0.00 0.31 0.00 0.00 61.69 63.13 2g1e s THR 3 Cb -0.13 -3.85 -0.03 0.00 0.01 0.00 0.00 72.50 68.50 2g1e s THR 3 CO 0.03 0.42 -0.24 0.54 -0.69 0.00 0.00 174.62 174.68 2g1e s VAL 4 N -0.10 1.99 0.10 3.82 0.11 0.59 -0.17 120.40 126.74 2g1e s VAL 4 Ca 0.28 -1.46 0.08 0.00 -2.93 0.00 0.00 61.98 57.95 2g1e s VAL 4 Cb -0.17 -1.74 -0.04 0.00 -1.53 0.00 0.00 36.38 32.91 2g1e s VAL 4 CO 0.14 0.19 -0.17 -0.60 -3.33 0.00 0.00 175.10 171.33 2g1e s ARG 5 N -1.54 1.87 -0.13 1.54 6.06 0.41 -2.09 118.95 125.08 2g1e s ARG 5 Ca 0.10 -1.13 0.02 0.00 -2.50 0.00 0.00 55.73 52.22 2g1e s ARG 5 Cb -0.10 -2.14 0.02 0.00 0.06 0.00 0.00 34.95 32.78 2g1e s ARG 5 CO 0.03 0.49 -0.17 0.71 -2.50 0.00 0.00 175.30 173.87 2g1e s TYR 6 N -1.11 2.23 0.00 5.12 2.02 -1.20 -1.92 117.35 122.49 2g1e s TYR 6 Ca 0.18 -1.14 0.00 0.00 -0.37 0.00 0.00 57.07 55.74 2g1e s TYR 6 Cb -0.11 -1.58 0.00 0.00 -0.40 0.00 0.00 41.96 39.87 2g1e s TYR 6 CO 0.09 -0.57 0.00 0.66 -1.57 0.00 0.00 175.55 174.16 2g1e n TYR 7 N 4.33 0.00 0.00 2.71 4.02 -0.83 -4.64 117.16 122.75 2g1e n TYR 7 Ca -0.19 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.70 2g1e n TYR 7 Cb 0.51 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 -2.27 0.00 0.42 -0.72 0.00 -1.23 -4.67 120.51 112.04 2g1e n ALA 8 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.49 2g1e n ALA 8 Cb 0.36 0.00 0.23 0.00 0.00 0.00 0.00 19.45 20.05 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 -0.39 0.98 0.13 0.00 -2.24 -1.26 -2.32 114.28 109.18 2g1e n THR 9 Ca 0.00 0.25 0.01 0.00 -2.27 0.00 0.00 64.05 62.04 2g1e n THR 9 Cb 0.00 -1.08 0.34 0.00 -2.10 0.00 0.00 70.33 67.49 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 0.16 0.11 3.22 5.85 -1.95 -2.89 115.31 119.82 2g1e h LEU 10 Ca 0.00 -0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.68 2g1e h LEU 10 Cb 0.12 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.07 2g1e h LEU 10 CO 0.00 0.45 -0.42 0.03 -0.34 0.00 0.00 178.44 178.15 2g1e h ARG 11 N 0.15 -0.59 0.00 1.25 3.08 -1.72 0.29 114.38 116.84 2g1e h ARG 11 Ca 0.02 0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.11 2g1e h ARG 11 Cb 0.57 0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.76 2g1e h ARG 11 CO 0.04 -0.39 0.00 -0.35 -1.07 0.00 0.00 179.97 178.20 2g1e n PRO 12 N -4.86 0.08 -0.02 0.04 -0.04 -1.21 -0.47 135.00 128.52 2g1e n PRO 12 Ca -0.07 0.21 -0.06 0.00 -0.04 0.00 0.00 63.50 63.55 2g1e n PRO 12 Cb 0.33 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.16 2g1e n PRO 12 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 2g1e n ILE 13 N -1.42 1.42 0.26 0.52 5.41 -0.33 -4.24 119.36 120.98 2g1e n ILE 13 Ca 0.05 -0.77 0.09 0.00 1.00 0.00 0.00 62.75 63.12 2g1e n ILE 13 Cb 0.15 -0.85 -0.13 0.00 -0.71 0.00 0.00 39.64 38.10 2g1e n ILE 13 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 2g1e n THR 14 N -2.94 0.00 -2.79 1.39 -2.24 0.87 -4.99 114.28 103.58 2g1e n THR 14 Ca -0.17 -0.31 -0.18 0.00 -2.27 0.00 0.00 64.05 61.12 2g1e n THR 14 Cb 1.00 0.37 0.02 0.00 -2.10 0.00 0.00 70.33 69.62 2g1e n THR 14 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2g1e n LYS 15 N -1.91 -3.61 -4.06 -0.78 4.76 0.37 -4.98 118.16 107.95 2g1e n LYS 15 Ca -0.01 0.77 -0.13 0.00 -2.87 0.00 0.00 58.31 56.07 2g1e n LYS 15 Cb 0.41 -5.29 -0.05 0.00 -1.84 0.00 0.00 35.03 28.27 2g1e n LYS 15 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 2g1e s LYS 16 N -5.39 1.78 -0.04 1.97 3.01 -1.22 -5.07 119.74 114.79 2g1e s LYS 16 Ca 0.21 -1.61 0.05 0.00 -1.01 0.00 0.00 55.97 53.61 2g1e s LYS 16 Cb -0.09 0.44 -0.07 0.00 -1.01 0.00 0.00 37.83 37.10 2g1e s LYS 16 CO 0.26 -0.73 0.05 1.63 0.51 0.00 0.00 175.35 177.07 2g1e n LYS 17 N -0.49 2.16 -3.67 1.68 5.02 -1.26 -4.72 118.16 116.87 2g1e n LYS 17 Ca -0.00 -0.02 -0.15 0.00 -2.02 0.00 0.00 58.31 56.12 2g1e n LYS 17 Cb 0.62 -1.14 -0.08 0.00 -0.02 0.00 0.00 35.03 34.41 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 -2.22 0.78 0.13 1.97 2.12 -1.26 -3.25 118.70 116.97 2g1e s GLU 18 Ca -0.02 0.09 -0.09 0.00 0.36 0.00 0.00 54.97 55.31 2g1e s GLU 18 Cb 0.02 0.36 -0.00 0.00 0.26 0.00 0.00 34.13 34.77 2g1e s GLU 18 CO 0.22 -0.21 0.26 -2.00 -0.54 0.00 0.00 175.26 172.99 2g1e s GLU 19 N -1.03 1.02 0.15 4.30 2.12 -0.89 -4.99 118.70 119.39 2g1e s GLU 19 Ca -0.11 -1.05 0.10 0.00 0.36 0.00 0.00 54.97 54.27 2g1e s GLU 19 Cb -0.03 0.37 -0.04 0.00 0.26 0.00 0.00 34.13 34.69 2g1e s GLU 19 CO 0.06 -0.36 -0.18 0.95 -0.54 0.00 0.00 175.26 175.18 2g1e s THR 20 N -3.91 2.74 0.13 -1.70 -4.23 -1.26 -0.30 115.64 107.12 2g1e s THR 20 Ca 0.11 -1.70 0.01 0.00 -1.18 0.00 0.00 61.69 58.92 2g1e s THR 20 Cb 0.04 -2.30 -0.04 0.00 1.34 0.00 0.00 72.50 71.54 2g1e s THR 20 CO -0.05 -0.01 0.00 -0.36 -0.54 0.00 0.00 174.62 173.66 2g1e s PHE 21 N -1.40 0.95 -0.06 3.99 0.08 0.27 -4.92 117.98 116.88 2g1e s PHE 21 Ca 0.20 -1.07 -0.05 0.00 0.12 0.00 0.00 56.93 56.13 2g1e s PHE 21 Cb -0.09 -0.55 0.02 0.00 -0.57 0.00 0.00 43.02 41.82 2g1e s PHE 21 CO 0.11 -0.31 0.15 0.54 -0.10 0.00 0.00 175.22 175.61 2g1e s ASN 22 N -3.08 -0.15 0.00 1.36 2.20 -1.26 -0.10 114.94 113.91 2g1e s ASN 22 Ca 0.19 0.31 0.00 0.00 -0.94 0.00 0.00 52.86 52.42 2g1e s ASN 22 Cb 0.07 0.29 0.00 0.00 -2.00 0.00 0.00 41.25 39.61 2g1e s ASN 22 CO -0.00 -0.07 0.00 0.61 -2.94 0.00 0.00 177.10 174.69 2g1e n GLY 23 N 3.25 2.09 3.75 0.45 0.00 -1.26 -5.07 105.19 108.40 2g1e n GLY 23 Ca -0.15 -0.33 -0.39 0.00 0.00 0.00 0.00 46.02 45.15 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 -1.47 4.80 0.00 -0.61 1.01 -1.26 -4.93 121.20 118.74 2g1e s ILE 24 Ca 0.00 1.46 0.00 0.00 0.00 0.00 0.00 60.65 62.11 2g1e s ILE 24 Cb 0.00 -4.03 0.00 0.00 0.01 0.00 0.00 42.46 38.44 2g1e s ILE 24 CO 0.00 0.39 0.53 -1.20 0.00 0.00 0.00 174.94 174.66 2g1e n SER 25 N 2.73 0.57 -4.11 3.58 7.64 -1.26 -4.89 113.62 117.89 2g1e n SER 25 Ca -0.05 -1.24 -0.10 0.00 1.01 0.00 0.00 58.87 58.49 2g1e n SER 25 Cb 0.50 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.60 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 -0.24 0.66 0.09 1.43 -0.14 -1.26 -3.69 119.74 116.59 2g1e s LYS 26 Ca 0.00 -1.10 -0.16 0.00 -1.36 0.00 0.00 55.97 53.36 2g1e s LYS 26 Cb 0.00 -0.11 -0.08 0.00 -1.68 0.00 0.00 37.83 35.96 2g1e s LYS 26 CO 0.00 -0.02 1.45 0.82 -0.76 0.00 0.00 175.35 176.84 2g1e h ILE 27 N 3.55 1.30 -0.08 2.17 1.08 -1.40 -1.95 117.51 122.17 2g1e h ILE 27 Ca -0.35 -1.29 0.04 0.00 -0.39 0.00 0.00 64.86 62.87 2g1e h ILE 27 Cb 1.17 1.51 -0.05 0.00 -3.07 0.00 0.00 36.82 36.38 2g1e h ILE 27 CO 0.57 0.41 -0.23 -1.28 -0.69 0.00 0.00 178.15 176.93 2g1e h SER 28 N 0.38 -0.71 0.19 1.72 0.87 -1.73 0.17 113.55 114.44 2g1e h SER 28 Ca 0.06 0.11 -0.05 0.00 -1.23 0.00 0.00 61.79 60.67 2g1e h SER 28 Cb 0.71 0.31 -0.01 0.00 -0.44 0.00 0.00 62.40 62.97 2g1e h SER 28 CO 0.05 -0.29 -0.23 -0.33 -0.53 0.00 0.00 176.83 175.51 2g1e h GLU 29 N -0.32 0.07 0.07 2.24 4.39 -1.85 -2.76 114.58 116.43 2g1e h GLU 29 Ca 0.09 -0.02 -0.00 0.00 0.34 0.00 0.00 59.36 59.76 2g1e h GLU 29 Cb 0.44 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.09 2g1e h GLU 29 CO -0.27 0.30 -0.03 1.25 -1.16 0.00 0.00 179.01 179.10 2g1e h LEU 30 N 0.07 -0.08 -0.23 1.33 7.12 -0.40 -1.92 115.31 121.20 2g1e h LEU 30 Ca 0.01 -0.33 0.05 0.00 0.13 0.00 0.00 57.88 57.75 2g1e h LEU 30 Cb 0.44 0.02 -0.05 0.00 -0.53 0.00 0.00 40.66 40.54 2g1e h LEU 30 CO 0.03 0.30 -0.11 -0.07 -0.13 0.00 0.00 178.44 178.45 2g1e h LEU 31 N -0.46 -0.38 -1.88 2.25 3.38 -0.58 -0.25 115.31 117.39 2g1e h LEU 31 Ca -0.01 0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 2g1e h LEU 31 Cb 0.40 0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.36 2g1e h LEU 31 CO 0.02 -0.15 -0.02 -0.33 0.09 0.00 0.00 178.44 178.05 2g1e h GLU 32 N -0.08 0.05 -0.04 1.13 4.39 -1.52 -1.31 114.58 117.20 2g1e h GLU 32 Ca 0.12 -0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.70 2g1e h GLU 32 Cb 0.27 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.90 2g1e h GLU 32 CO -0.29 0.07 -0.54 -0.09 -1.16 0.00 0.00 179.01 177.01 2g1e h ARG 33 N 0.05 0.12 0.11 2.33 9.65 -0.25 -2.56 114.38 123.83 2g1e h ARG 33 Ca 0.01 -0.07 -0.01 0.00 -1.10 0.00 0.00 59.98 58.82 2g1e h ARG 33 Cb 0.07 0.01 0.00 0.00 -1.39 0.00 0.00 29.97 28.65 2g1e h ARG 33 CO 0.00 0.63 -0.05 -0.07 2.80 0.00 0.00 179.97 183.28 2g1e h LEU 34 N 0.09 -0.13 -1.26 3.80 3.38 -0.07 0.25 115.31 121.37 2g1e h LEU 34 Ca -0.00 -0.36 0.04 0.00 0.09 0.00 0.00 57.88 57.65 2g1e h LEU 34 Cb 0.98 0.03 -0.05 0.00 0.09 0.00 0.00 40.66 41.72 2g1e h LEU 34 CO 0.08 0.32 0.52 0.11 0.09 0.00 0.00 178.44 179.55 2g1e h LYS 35 N -0.61 0.92 0.13 1.13 1.57 -1.52 0.25 116.57 118.44 2g1e h LYS 35 Ca -0.02 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 2g1e h LYS 35 Cb 0.48 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.58 2g1e h LYS 35 CO 0.03 0.61 -0.06 0.28 -0.57 0.00 0.00 179.45 179.73 2g1e h VAL 36 N 0.95 0.82 -0.18 0.50 2.07 -1.43 0.25 116.25 119.22 2g1e h VAL 36 Ca 0.32 -1.27 0.04 0.00 0.82 0.00 0.00 66.70 66.61 2g1e h VAL 36 Cb 0.08 1.43 -0.04 0.00 -1.52 0.00 0.00 31.29 31.25 2g1e h VAL 36 CO -0.10 0.23 -0.06 -0.08 0.02 0.00 0.00 177.57 177.58 2g1e h GLU 37 N -0.92 -0.03 0.00 1.57 4.57 -0.36 -2.13 114.58 117.28 2g1e h GLU 37 Ca -0.02 0.00 -0.13 0.00 -1.18 0.00 0.00 59.36 58.04 2g1e h GLU 37 Cb 0.51 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.09 2g1e h GLU 37 CO 0.03 -0.02 -0.60 1.88 -1.18 0.00 0.00 179.01 179.11 2g1e h TYR 38 N -0.03 0.00 0.00 0.92 0.05 -0.62 -3.50 116.97 113.78 2g1e h TYR 38 Ca 0.09 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.87 2g1e h TYR 38 Cb 0.17 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.91 2g1e h TYR 38 CO -0.22 0.60 0.00 0.41 -1.05 0.00 0.00 178.16 177.90 2g1e n GLY 39 N 0.51 -1.79 0.13 3.88 0.00 0.86 -4.39 105.19 104.40 2g1e n GLY 39 Ca -0.00 -1.89 -0.04 0.00 0.00 0.00 0.00 46.02 44.09 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 0.08 -0.98 1.61 4.64 -1.89 -3.18 113.55 113.84 2g1e h SER 40 Ca 0.00 -0.06 0.20 0.00 -0.47 0.00 0.00 61.79 61.47 2g1e h SER 40 Cb 0.00 -0.02 -0.11 0.00 -0.31 0.00 0.00 62.40 61.95 2g1e h SER 40 CO 0.00 0.74 0.57 -0.08 -0.87 0.00 0.00 176.83 177.19 2g1e h GLU 41 N 0.05 0.65 0.18 4.77 4.57 -1.91 0.25 114.58 123.13 2g1e h GLU 41 Ca -0.01 -0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 58.12 2g1e h GLU 41 Cb 1.22 -0.15 0.00 0.00 -0.16 0.00 0.00 28.75 29.67 2g1e h GLU 41 CO 0.09 0.43 -0.09 0.35 -1.18 0.00 0.00 179.01 178.62 2g1e h PHE 42 N 0.67 -0.22 -0.94 0.92 3.57 -1.75 0.24 116.94 119.42 2g1e h PHE 42 Ca 0.58 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 62.16 2g1e h PHE 42 Cb 0.97 0.07 -0.07 0.00 2.79 0.00 0.00 35.95 39.72 2g1e h PHE 42 CO -0.03 0.16 0.59 1.15 -2.23 0.00 0.00 178.31 177.95 2g1e h THR 43 N -0.67 1.01 -0.06 4.41 2.02 -1.40 0.15 112.91 118.37 2g1e h THR 43 Ca -0.02 -0.35 -0.09 0.00 0.77 0.00 0.00 66.41 66.71 2g1e h THR 43 Cb 0.48 -0.11 0.00 0.00 -1.74 0.00 0.00 68.15 66.79 2g1e h THR 43 CO 0.04 0.19 -0.32 0.11 0.37 0.00 0.00 175.52 175.91 2g1e h LYS 44 N 1.03 0.33 0.00 6.66 1.79 -0.54 0.25 116.57 126.09 2g1e h LYS 44 Ca 0.43 -0.27 -0.00 0.00 -2.18 0.00 0.00 60.65 58.63 2g1e h LYS 44 Cb 0.27 0.06 -0.00 0.00 -1.58 0.00 0.00 32.23 30.98 2g1e h LYS 44 CO -0.21 0.91 -0.01 1.96 -1.08 0.00 0.00 179.45 181.03 2g1e h GLN 45 N -0.18 0.00 0.01 3.15 1.08 -0.08 -2.37 115.11 116.72 2g1e h GLN 45 Ca -0.02 0.00 -0.37 0.00 -1.45 0.00 0.00 58.65 56.81 2g1e h GLN 45 Cb 0.98 0.00 -0.07 0.00 -0.05 0.00 0.00 27.48 28.34 2g1e h GLN 45 CO 0.07 0.01 -2.36 -1.33 -0.95 0.00 0.00 178.83 174.26 2g1e n MET 46 N -3.17 0.68 -2.09 1.46 2.81 0.00 -4.86 117.12 111.94 2g1e n MET 46 Ca -0.02 0.08 -0.41 0.00 -1.81 0.00 0.00 57.70 55.53 2g1e n MET 46 Cb 0.11 -1.55 -0.03 0.00 -0.71 0.00 0.00 33.22 31.05 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 1.88 -0.54 2.03 1.51 0.89 -4.77 117.35 115.84 2g1e s TYR 47 Ca -0.19 0.68 0.03 0.00 -1.01 0.00 0.00 57.07 56.58 2g1e s TYR 47 Cb 0.07 -4.16 0.13 0.00 -0.11 0.00 0.00 41.96 37.90 2g1e s TYR 47 CO 0.75 -2.54 0.29 -0.51 -1.11 0.00 0.00 175.55 172.43 2g1e s ASP 48 N 6.31 4.43 0.00 2.29 1.01 -1.26 -4.87 116.67 124.58 2g1e s ASP 48 Ca 0.71 -3.03 0.00 0.00 0.71 0.00 0.00 52.55 50.95 2g1e s ASP 48 Cb -0.17 -1.66 0.00 0.00 1.01 0.00 0.00 42.92 42.09 2g1e s ASP 48 CO 0.29 -0.24 0.00 0.61 0.21 0.00 0.00 175.17 176.04 2g1e n GLY 49 N 3.11 1.99 1.52 0.21 0.00 -1.26 -3.14 105.19 107.62 2g1e n GLY 49 Ca 0.06 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.31 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 0.00 0.23 -4.63 1.61 3.02 -1.26 -5.12 115.26 109.11 2g1e n ASN 50 Ca 0.00 0.17 -0.24 0.00 -0.03 0.00 0.00 54.58 54.48 2g1e n ASN 50 Cb 0.00 0.03 -0.08 0.00 -0.61 0.00 0.00 39.78 39.12 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 -5.00 4.28 0.29 6.41 0.01 -1.26 -5.05 114.94 114.62 2g1e s ASN 51 Ca 0.00 -0.87 0.00 0.00 -0.71 0.00 0.00 52.86 51.28 2g1e s ASN 51 Cb 0.00 -0.62 0.00 0.00 0.41 0.00 0.00 41.25 41.04 2g1e s ASN 51 CO 0.00 -0.15 0.00 -0.11 -1.51 0.00 0.00 177.10 175.33 2g1e n LEU 52 N -0.93 -0.23 0.04 0.60 -0.00 -1.26 -4.05 117.00 111.17 2g1e n LEU 52 Ca -0.05 0.50 0.20 0.00 -0.00 0.00 0.00 56.01 56.66 2g1e n LEU 52 Cb 0.61 0.46 0.72 0.00 -0.00 0.00 0.00 43.42 45.21 2g1e n LEU 52 CO 0.42 -0.78 1.18 0.15 -0.00 0.00 0.00 177.39 178.36 2g1e h PHE 53 N 0.00 0.00 0.00 1.96 3.57 -1.94 0.55 116.94 121.09 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 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.74 2g1e h PHE 53 CO 0.00 0.00 -0.03 -0.22 -2.23 0.00 0.00 178.31 175.83 2g1e h LYS 54 N 0.00 0.00 0.00 1.11 1.63 -1.98 -2.79 116.57 114.54 2g1e h LYS 54 Ca 0.22 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.02 2g1e h LYS 54 Cb 0.97 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.60 2g1e h LYS 54 CO -0.00 0.03 -0.53 0.09 -3.45 0.00 0.00 179.45 175.59 2g1e n ASN 55 N -3.28 1.89 -4.50 4.20 4.13 0.11 -5.05 115.26 112.76 2g1e n ASN 55 Ca -0.02 -0.33 -0.38 0.00 1.68 0.00 0.00 54.58 55.54 2g1e n ASN 55 Cb 0.18 1.05 0.04 0.00 -1.54 0.00 0.00 39.78 39.51 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 -1.28 2.56 -4.05 2.41 3.14 0.15 -4.58 118.33 116.68 2g1e n VAL 56 Ca 0.00 -0.49 -0.31 0.00 -2.96 0.00 0.00 64.34 60.58 2g1e n VAL 56 Cb 0.05 -0.78 -0.16 0.00 -1.06 0.00 0.00 33.84 31.89 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 1.83 -0.07 1.55 2.07 -1.22 -4.94 121.20 118.73 2g1e s ILE 57 Ca 0.70 -1.01 0.05 0.00 -1.41 0.00 0.00 60.65 58.98 2g1e s ILE 57 Cb -0.43 -1.80 -0.01 0.00 0.13 0.00 0.00 42.46 40.36 2g1e s ILE 57 CO 0.53 0.30 -0.22 0.27 -1.91 0.00 0.00 174.94 173.91 2g1e s ILE 58 N 1.34 1.88 -0.18 2.00 -0.00 -1.26 -2.46 121.20 122.52 2g1e s ILE 58 Ca 0.01 -0.95 -0.06 0.00 -0.00 0.00 0.00 60.65 59.64 2g1e s ILE 58 Cb -0.15 -1.61 -0.04 0.00 -0.00 0.00 0.00 42.46 40.66 2g1e s ILE 58 CO -0.10 0.52 0.04 -0.76 -0.00 0.00 0.00 174.94 174.64 2g1e s LEU 59 N 0.05 3.64 -0.15 0.37 1.43 -0.83 -3.98 118.68 119.21 2g1e s LEU 59 Ca -0.08 0.01 -0.05 0.00 -1.03 0.00 0.00 54.13 52.98 2g1e s LEU 59 Cb -0.14 -1.91 -0.03 0.00 0.03 0.00 0.00 46.19 44.13 2g1e s LEU 59 CO 0.05 0.16 0.01 0.54 0.23 0.00 0.00 176.35 177.34 2g1e s VAL 60 N 0.44 4.38 -1.86 -1.59 0.11 0.79 -1.31 120.40 121.36 2g1e s VAL 60 Ca 0.01 -0.19 -0.22 0.00 -2.93 0.00 0.00 61.98 58.65 2g1e s VAL 60 Cb -0.13 -2.93 0.22 0.00 -1.53 0.00 0.00 36.38 32.01 2g1e s VAL 60 CO 0.01 0.51 0.58 -0.46 -3.33 0.00 0.00 175.10 172.40 2g1e n ASN 61 N 3.21 -1.76 -2.59 3.54 6.94 0.87 -0.83 115.26 124.65 2g1e n ASN 61 Ca -0.17 -1.24 -0.10 0.00 -0.02 0.00 0.00 54.58 53.05 2g1e n ASN 61 Cb 0.53 -1.68 0.05 0.00 -2.36 0.00 0.00 39.78 36.32 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 -1.17 -0.34 3.65 4.83 0.00 -1.26 -4.99 105.19 105.90 2g1e n GLY 62 Ca 0.09 0.21 -0.02 0.00 0.00 0.00 0.00 46.02 46.30 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 -3.34 -0.03 0.22 1.61 2.47 -0.01 -5.15 114.94 110.71 2g1e s ASN 63 Ca 0.24 0.05 -0.30 0.00 0.42 0.00 0.00 52.86 53.28 2g1e s ASN 63 Cb -0.03 0.18 -0.09 0.00 -1.45 0.00 0.00 41.25 39.85 2g1e s ASN 63 CO 0.46 -0.01 1.30 0.21 -3.72 0.00 0.00 177.10 175.34 2g1e s ASN 64 N 0.14 6.90 0.24 -4.21 3.04 -1.26 -0.15 114.94 119.65 2g1e s ASN 64 Ca 0.06 2.42 0.11 0.00 0.04 0.00 0.00 52.86 55.49 2g1e s ASN 64 Cb -0.05 -2.61 0.20 0.00 -1.54 0.00 0.00 41.25 37.25 2g1e s ASN 64 CO -0.15 -0.51 1.51 0.16 -3.04 0.00 0.00 177.10 175.07 2g1e h ILE 65 N 3.64 1.38 -0.42 -5.21 3.07 -1.82 -3.15 117.51 115.00 2g1e h ILE 65 Ca -0.45 -2.45 0.12 0.00 1.55 0.00 0.00 64.86 63.63 2g1e h ILE 65 Cb 1.22 2.36 -0.02 0.00 -0.27 0.00 0.00 36.82 40.11 2g1e h ILE 65 CO 0.75 0.67 0.40 0.71 -1.05 0.00 0.00 178.15 179.64 2g1e h THR 66 N 0.00 0.47 -0.82 0.16 1.35 -1.89 0.28 112.91 112.45 2g1e h THR 66 Ca -0.01 0.00 -0.45 0.00 -0.55 0.00 0.00 66.41 65.40 2g1e h THR 66 Cb 1.31 0.69 -0.25 0.00 -1.73 0.00 0.00 68.15 68.17 2g1e h THR 66 CO 0.09 0.00 0.57 -0.24 -0.25 0.00 0.00 175.52 175.69 2g1e n SER 67 N -3.89 4.20 0.00 5.36 2.88 -1.19 -4.70 113.62 116.28 2g1e n SER 67 Ca 0.07 -3.36 0.00 0.00 -1.33 0.00 0.00 58.87 54.26 2g1e n SER 67 Cb 0.58 -0.82 0.00 0.00 -0.75 0.00 0.00 64.21 63.23 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 -0.80 0.00 -4.35 -1.46 0.00 0.77 -5.05 117.12 106.22 2g1e n MET 68 Ca 0.50 0.00 -0.18 0.00 -0.00 0.00 0.00 57.70 58.02 2g1e n MET 68 Cb 1.34 0.00 -0.10 0.00 0.00 0.00 0.00 33.22 34.46 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 1.36 0.00 2.12 2.47 0.05 -5.08 119.74 120.66 2g1e s LYS 69 Ca 0.00 -1.66 0.00 0.00 -1.56 0.00 0.00 55.97 52.75 2g1e s LYS 69 Cb 0.00 -0.88 0.00 0.00 -1.46 0.00 0.00 37.83 35.49 2g1e s LYS 69 CO 0.00 0.02 0.00 0.41 0.16 0.00 0.00 175.35 175.94 2g1e n GLY 70 N -0.43 0.17 0.12 5.54 0.00 -1.26 -3.90 105.19 105.44 2g1e n GLY 70 Ca -0.06 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.29 0.99 4.07 -1.98 -3.28 115.31 113.82 2g1e h LEU 71 Ca 0.00 -0.04 0.00 0.00 0.08 0.00 0.00 57.88 57.92 2g1e h LEU 71 Cb 0.00 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.74 2g1e h LEU 71 CO 0.00 0.02 0.00 -0.67 -1.08 0.00 0.00 178.44 176.71 2g1e n ASP 72 N -2.64 1.87 -4.75 -0.43 2.03 -1.26 -2.58 116.55 108.80 2g1e n ASP 72 Ca 0.01 -1.99 -0.42 0.00 0.52 0.00 0.00 54.79 52.91 2g1e n ASP 72 Cb 0.53 -0.23 -0.02 0.00 -0.72 0.00 0.00 41.12 40.68 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 -1.53 2.22 0.33 5.18 2.01 -1.24 -4.89 115.64 117.71 2g1e s THR 73 Ca 0.24 0.18 0.08 0.00 0.31 0.00 0.00 61.69 62.50 2g1e s THR 73 Cb 0.12 -3.12 -0.04 0.00 0.01 0.00 0.00 72.50 69.48 2g1e s THR 73 CO 0.16 0.03 0.19 -0.70 -0.69 0.00 0.00 174.62 173.61 2g1e s GLU 74 N -0.30 2.53 0.11 4.92 2.12 -1.26 -1.28 118.70 125.54 2g1e s GLU 74 Ca 0.63 -1.41 0.03 0.00 0.36 0.00 0.00 54.97 54.58 2g1e s GLU 74 Cb -0.46 -2.31 -0.04 0.00 0.26 0.00 0.00 34.13 31.58 2g1e s GLU 74 CO 0.45 0.14 0.16 0.42 -0.54 0.00 0.00 175.26 175.89 2g1e s ILE 75 N -2.35 4.84 0.80 -3.70 1.01 -1.24 -4.91 121.20 115.64 2g1e s ILE 75 Ca 0.38 -0.76 -0.09 0.00 0.00 0.00 0.00 60.65 60.18 2g1e s ILE 75 Cb -0.04 -3.41 0.12 0.00 0.01 0.00 0.00 42.46 39.14 2g1e s ILE 75 CO 0.24 0.03 1.12 -0.54 0.00 0.00 0.00 174.94 175.79 2g1e s LYS 76 N -2.76 1.57 0.56 2.79 -0.14 -1.26 -4.91 119.74 115.60 2g1e s LYS 76 Ca 0.32 -0.46 0.28 0.00 -1.36 0.00 0.00 55.97 54.75 2g1e s LYS 76 Cb -0.12 -2.08 1.49 0.00 -1.68 0.00 0.00 37.83 35.44 2g1e s LYS 76 CO 0.25 -1.69 1.97 0.22 -0.76 0.00 0.00 175.35 175.34 2g1e h ASP 77 N -0.95 0.00 -0.72 2.83 3.58 -2.01 -0.40 116.42 118.75 2g1e h ASP 77 Ca -0.43 0.00 0.03 0.00 0.42 0.00 0.00 57.03 57.05 2g1e h ASP 77 Cb 1.28 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 42.29 2g1e h ASP 77 CO 0.49 0.00 0.45 0.44 -2.88 0.00 0.00 179.24 177.75 2g1e h ASP 78 N 0.00 0.75 -4.98 2.28 5.19 -1.98 -3.48 116.42 114.20 2g1e h ASP 78 Ca 0.22 -0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.63 2g1e h ASP 78 Cb 1.04 -0.17 0.00 0.00 0.18 0.00 0.00 39.33 40.38 2g1e h ASP 78 CO -0.00 0.52 -0.18 0.47 -3.12 0.00 0.00 179.24 176.93 2g1e n ASP 79 N -4.64 -6.99 -3.68 6.45 8.00 -0.16 -4.82 116.55 110.70 2g1e n ASP 79 Ca 0.08 0.16 -0.12 0.00 0.71 0.00 0.00 54.79 55.61 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 -2.74 0.21 -0.02 -1.24 2.20 -1.26 -1.39 119.74 115.50 2g1e s LYS 80 Ca 0.09 0.75 0.06 0.00 -0.36 0.00 0.00 55.97 56.51 2g1e s LYS 80 Cb -0.02 0.00 -0.02 0.00 -1.51 0.00 0.00 37.83 36.28 2g1e s LYS 80 CO 0.64 -0.24 -0.20 0.42 -0.36 0.00 0.00 175.35 175.61 2g1e s ILE 81 N 2.09 1.61 -0.09 5.43 1.01 0.76 -0.09 121.20 131.92 2g1e s ILE 81 Ca -0.03 -0.87 0.03 0.00 0.00 0.00 0.00 60.65 59.79 2g1e s ILE 81 Cb -0.11 -1.33 -0.01 0.00 0.01 0.00 0.00 42.46 41.01 2g1e s ILE 81 CO -0.10 0.45 -0.19 -1.81 0.00 0.00 0.00 174.94 173.30 2g1e s ASP 82 N -0.48 3.54 -0.29 3.58 1.01 -0.42 -0.44 116.67 123.16 2g1e s ASP 82 Ca 0.08 -0.41 -0.05 0.00 0.71 0.00 0.00 52.55 52.88 2g1e s ASP 82 Cb -0.08 -1.22 0.02 0.00 1.01 0.00 0.00 42.92 42.65 2g1e s ASP 82 CO -0.01 0.22 0.03 -0.76 0.21 0.00 0.00 175.17 174.86 2g1e s LEU 83 N 0.02 3.71 0.09 1.23 1.43 -0.81 -1.97 118.68 122.38 2g1e s LEU 83 Ca -0.07 -0.87 0.09 0.00 -1.03 0.00 0.00 54.13 52.25 2g1e s LEU 83 Cb -0.15 -1.80 -0.03 0.00 0.03 0.00 0.00 46.19 44.24 2g1e s LEU 83 CO 0.05 -0.20 -0.24 -0.36 0.23 0.00 0.00 176.35 175.83 2g1e s PHE 84 N 1.41 2.12 0.28 0.29 0.08 -1.03 -1.96 117.98 119.17 2g1e s PHE 84 Ca 0.00 -0.40 -0.29 0.00 0.12 0.00 0.00 56.93 56.37 2g1e s PHE 84 Cb -0.18 -1.20 -0.10 0.00 -0.57 0.00 0.00 43.02 40.97 2g1e s PHE 84 CO 0.00 0.21 1.25 -1.25 -0.10 0.00 0.00 175.22 175.33 2g1e s PRO 85 N -1.65 4.45 0.52 0.24 0.04 -1.26 -3.46 135.00 133.88 2g1e s PRO 85 Ca 0.11 2.06 -0.20 0.00 0.04 0.00 0.00 61.00 63.00 2g1e s PRO 85 Cb -0.10 -3.14 -0.06 0.00 0.04 0.00 0.00 34.50 31.24 2g1e s PRO 85 CO 0.04 -0.09 1.14 -1.25 0.04 0.00 0.00 177.00 176.87 2g1e s PRO 86 N -1.23 3.46 -0.06 0.56 0.04 -1.26 -4.76 135.00 131.74 2g1e s PRO 86 Ca 0.50 1.65 -0.35 0.00 0.04 0.00 0.00 61.00 62.84 2g1e s PRO 86 Cb -0.37 -2.11 -0.13 0.00 0.04 0.00 0.00 34.50 31.94 2g1e s PRO 86 CO 0.46 -0.77 1.75 1.33 0.04 0.00 0.00 177.00 179.81 2g1e n VAL 87 N -1.10 0.37 -2.44 -0.36 0.24 -1.26 -0.44 118.33 113.34 2g1e n VAL 87 Ca 0.11 -0.07 -0.17 0.00 -2.04 0.00 0.00 64.34 62.17 2g1e n VAL 87 Cb 0.50 -1.60 -0.01 0.00 -1.47 0.00 0.00 33.84 31.27 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 5.45 -0.70 -0.85 2.33 0.00 -1.26 -4.46 120.51 121.03 2g1e n ALA 88 Ca 0.22 0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.80 2g1e n ALA 88 Cb 0.25 -1.95 0.00 0.00 0.00 0.00 0.00 19.45 17.75 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 -0.94 0.97 0.95 0.00 0.00 0.41 -5.02 105.19 101.56 2g1e n GLY 89 Ca -0.20 0.42 0.12 0.00 0.00 0.00 0.00 46.02 46.36 2g1e n GLY 89 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93