#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 1.78 -0.29 3.17 0.11 0.05 -4.71 120.40 120.51 2g1e s VAL 2 Ca 0.00 -0.87 -0.09 0.00 -2.93 0.00 0.00 61.98 58.09 2g1e s VAL 2 Cb 0.00 -1.55 -0.01 0.00 -1.53 0.00 0.00 36.38 33.29 2g1e s VAL 2 CO 0.00 0.50 0.12 -0.89 -3.33 0.00 0.00 175.10 171.50 2g1e s THR 3 N 0.29 4.48 0.04 5.04 2.01 -0.73 -0.34 115.64 126.43 2g1e s THR 3 Ca -0.14 -0.37 0.02 0.00 0.31 0.00 0.00 61.69 61.51 2g1e s THR 3 Cb -0.16 -3.23 -0.04 0.00 0.01 0.00 0.00 72.50 69.08 2g1e s THR 3 CO 0.06 0.14 0.03 -0.69 -0.69 0.00 0.00 174.62 173.47 2g1e s VAL 4 N 1.61 4.28 0.14 3.82 1.01 -0.20 -2.39 120.40 128.66 2g1e s VAL 4 Ca 0.05 -0.69 0.07 0.00 0.00 0.00 0.00 61.98 61.41 2g1e s VAL 4 Cb -0.17 -2.98 -0.04 0.00 0.00 0.00 0.00 36.38 33.20 2g1e s VAL 4 CO 0.05 0.26 -0.06 -0.13 0.00 0.00 0.00 175.10 175.22 2g1e s ARG 5 N -1.92 2.22 -0.12 2.72 0.52 0.83 -2.17 118.95 121.03 2g1e s ARG 5 Ca 0.23 -1.08 0.01 0.00 -0.52 0.00 0.00 55.73 54.38 2g1e s ARG 5 Cb -0.12 -2.31 0.02 0.00 0.52 0.00 0.00 34.95 33.06 2g1e s ARG 5 CO 0.15 0.48 -0.15 0.71 0.02 0.00 0.00 175.30 176.51 2g1e s TYR 6 N -1.46 2.02 0.00 -0.53 2.02 -1.13 -2.15 117.35 116.12 2g1e s TYR 6 Ca 0.24 -0.99 0.00 0.00 -0.37 0.00 0.00 57.07 55.95 2g1e s TYR 6 Cb -0.10 -1.46 0.00 0.00 -0.40 0.00 0.00 41.96 40.00 2g1e s TYR 6 CO 0.16 -0.51 0.00 0.66 -1.57 0.00 0.00 175.55 174.28 2g1e n TYR 7 N 4.30 0.00 0.00 2.71 4.01 -0.92 -4.61 117.16 122.65 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 -2.06 0.00 0.18 -0.72 0.00 -1.13 -4.60 120.51 112.19 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 0.31 0.00 0.14 0.00 0.00 0.00 0.00 19.45 19.90 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 -0.47 1.60 0.13 0.00 -2.24 -1.26 -1.92 114.28 110.12 2g1e n THR 9 Ca 0.00 0.42 0.01 0.00 -2.27 0.00 0.00 64.05 62.21 2g1e n THR 9 Cb 0.00 -1.33 0.34 0.00 -2.10 0.00 0.00 70.33 67.24 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 0.17 0.10 3.22 5.85 -1.95 -2.88 115.31 119.82 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 0.09 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.04 2g1e h LEU 10 CO 0.00 0.44 -0.41 0.03 -0.34 0.00 0.00 178.44 178.16 2g1e h ARG 11 N 0.16 -0.57 0.00 1.25 3.08 -1.64 0.34 114.38 117.01 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 0.55 0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.73 2g1e h ARG 11 CO 0.04 -0.38 0.00 -0.35 -1.07 0.00 0.00 179.97 178.21 2g1e n PRO 12 N -4.78 0.08 -0.03 0.04 -0.04 -1.21 -0.17 135.00 128.90 2g1e n PRO 12 Ca -0.07 0.21 -0.07 0.00 -0.04 0.00 0.00 63.50 63.53 2g1e n PRO 12 Cb 0.32 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.14 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 -1.41 1.49 0.21 0.52 5.41 -0.33 -4.28 119.36 120.97 2g1e n ILE 13 Ca 0.05 -0.79 0.09 0.00 1.00 0.00 0.00 62.75 63.10 2g1e n ILE 13 Cb 0.15 -0.88 -0.13 0.00 -0.71 0.00 0.00 39.64 38.07 2g1e n ILE 13 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 176.55 176.96 2g1e n THR 14 N -2.96 0.00 -2.77 1.39 -1.04 0.11 -5.00 114.28 104.01 2g1e n THR 14 Ca -0.19 -0.32 -0.18 0.00 -2.04 0.00 0.00 64.05 61.33 2g1e n THR 14 Cb 1.04 0.35 0.02 0.00 -1.82 0.00 0.00 70.33 69.91 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 -1.91 -3.47 -4.09 -2.82 4.81 0.77 -4.99 118.16 106.45 2g1e n LYS 15 Ca -0.01 0.74 -0.13 0.00 -0.87 0.00 0.00 58.31 58.04 2g1e n LYS 15 Cb 0.40 -5.20 -0.06 0.00 0.02 0.00 0.00 35.03 30.19 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 -5.35 1.68 -0.05 1.64 3.01 -1.21 -5.07 119.74 114.39 2g1e s LYS 16 Ca 0.20 -1.60 0.04 0.00 -1.01 0.00 0.00 55.97 53.61 2g1e s LYS 16 Cb -0.09 0.42 -0.06 0.00 -1.01 0.00 0.00 37.83 37.09 2g1e s LYS 16 CO 0.25 -0.68 0.02 1.63 0.51 0.00 0.00 175.35 177.08 2g1e n LYS 17 N -0.46 3.13 -3.68 1.68 5.02 -1.26 -4.70 118.16 117.88 2g1e n LYS 17 Ca 0.01 -0.00 -0.15 0.00 -2.02 0.00 0.00 58.31 56.15 2g1e n LYS 17 Cb 0.62 -1.13 -0.08 0.00 -0.02 0.00 0.00 35.03 34.43 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 -2.12 0.75 0.14 1.97 2.12 -1.26 -2.85 118.70 117.45 2g1e s GLU 18 Ca -0.02 0.16 -0.13 0.00 0.36 0.00 0.00 54.97 55.34 2g1e s GLU 18 Cb 0.01 0.35 0.01 0.00 0.26 0.00 0.00 34.13 34.76 2g1e s GLU 18 CO 0.20 -0.19 0.34 -2.00 -0.54 0.00 0.00 175.26 173.07 2g1e s GLU 19 N -0.87 1.11 0.31 4.30 2.12 -0.92 -5.03 118.70 119.72 2g1e s GLU 19 Ca -0.09 -0.94 0.09 0.00 0.36 0.00 0.00 54.97 54.38 2g1e s GLU 19 Cb -0.03 0.42 -0.04 0.00 0.26 0.00 0.00 34.13 34.74 2g1e s GLU 19 CO 0.05 -0.42 0.10 0.95 -0.54 0.00 0.00 175.26 175.40 2g1e s THR 20 N -3.88 3.29 0.18 -1.70 -4.23 -1.26 -1.04 115.64 107.00 2g1e s THR 20 Ca 0.09 -1.73 -0.17 0.00 -1.18 0.00 0.00 61.69 58.70 2g1e s THR 20 Cb 0.02 -2.98 0.03 0.00 1.34 0.00 0.00 72.50 70.92 2g1e s THR 20 CO -0.06 -0.26 0.48 -0.36 -0.54 0.00 0.00 174.62 173.89 2g1e s PHE 21 N -2.37 -0.12 0.02 3.99 0.08 0.54 -4.95 117.98 115.19 2g1e s PHE 21 Ca 0.35 -0.22 0.00 0.00 0.12 0.00 0.00 56.93 57.19 2g1e s PHE 21 Cb -0.04 0.34 -0.02 0.00 -0.57 0.00 0.00 43.02 42.73 2g1e s PHE 21 CO 0.22 -0.86 -0.04 -0.80 -0.10 0.00 0.00 175.22 173.65 2g1e s ASN 22 N -2.86 0.32 0.00 1.36 -0.87 -1.26 -0.77 114.94 110.86 2g1e s ASN 22 Ca 0.08 -0.53 0.00 0.00 -1.57 0.00 0.00 52.86 50.84 2g1e s ASN 22 Cb -0.00 0.10 0.00 0.00 -0.02 0.00 0.00 41.25 41.33 2g1e s ASN 22 CO -0.05 -0.30 0.00 0.61 -2.57 0.00 0.00 177.10 174.79 2g1e n GLY 23 N 1.52 2.84 3.61 0.66 0.00 -1.26 -5.03 105.19 107.54 2g1e n GLY 23 Ca -0.23 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.49 4.81 -0.01 -0.61 1.01 -1.26 -4.86 121.20 117.78 2g1e s ILE 24 Ca 0.00 1.14 0.03 0.00 0.00 0.00 0.00 60.65 61.82 2g1e s ILE 24 Cb 0.00 -4.13 -0.04 0.00 0.01 0.00 0.00 42.46 38.30 2g1e s ILE 24 CO 0.00 -0.24 0.05 -0.24 0.00 0.00 0.00 174.94 174.50 2g1e n SER 25 N 6.17 4.33 -4.37 3.58 2.88 -1.26 -4.92 113.62 120.03 2g1e n SER 25 Ca 0.03 0.00 -0.23 0.00 -1.33 0.00 0.00 58.87 57.34 2g1e n SER 25 Cb 0.48 0.95 -0.11 0.00 -0.75 0.00 0.00 64.21 64.78 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 -2.16 1.38 0.21 -1.46 -0.14 -1.26 -2.98 119.74 113.32 2g1e s LYS 26 Ca -0.01 -1.49 -0.08 0.00 -1.36 0.00 0.00 55.97 53.02 2g1e s LYS 26 Cb 0.02 -1.48 0.14 0.00 -1.68 0.00 0.00 37.83 34.83 2g1e s LYS 26 CO 0.12 0.30 1.76 0.82 -0.76 0.00 0.00 175.35 177.58 2g1e h ILE 27 N 3.07 1.26 -0.19 2.17 1.08 -1.62 -2.51 117.51 120.76 2g1e h ILE 27 Ca -0.43 -0.86 0.05 0.00 -0.39 0.00 0.00 64.86 63.24 2g1e h ILE 27 Cb 1.21 0.39 -0.07 0.00 -3.07 0.00 0.00 36.82 35.29 2g1e h ILE 27 CO 0.52 0.34 -0.27 -1.28 -0.69 0.00 0.00 178.15 176.78 2g1e h SER 28 N 1.11 -0.84 -0.28 1.72 0.87 -1.76 0.16 113.55 114.53 2g1e h SER 28 Ca 0.25 0.14 -0.03 0.00 -1.23 0.00 0.00 61.79 60.92 2g1e h SER 28 Cb 0.26 0.38 -0.02 0.00 -0.44 0.00 0.00 62.40 62.58 2g1e h SER 28 CO -0.01 -0.31 0.10 -0.33 -0.53 0.00 0.00 176.83 175.75 2g1e h GLU 29 N -0.31 0.49 0.07 2.24 4.39 -1.84 -2.82 114.58 116.80 2g1e h GLU 29 Ca 0.12 -0.07 -0.00 0.00 0.34 0.00 0.00 59.36 59.75 2g1e h GLU 29 Cb 0.49 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.05 2g1e h GLU 29 CO -0.36 0.44 -0.03 1.25 -1.16 0.00 0.00 179.01 179.14 2g1e h LEU 30 N 0.49 -0.07 -0.40 1.33 7.12 -0.68 -2.05 115.31 121.05 2g1e h LEU 30 Ca 0.12 -0.24 0.08 0.00 0.13 0.00 0.00 57.88 57.97 2g1e h LEU 30 Cb 0.16 0.02 -0.08 0.00 -0.53 0.00 0.00 40.66 40.22 2g1e h LEU 30 CO -0.01 0.20 -0.15 -0.07 -0.13 0.00 0.00 178.44 178.28 2g1e h LEU 31 N -0.35 -0.53 -1.82 2.25 3.38 -0.53 0.15 115.31 117.85 2g1e h LEU 31 Ca -0.01 0.14 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 2g1e h LEU 31 Cb 0.31 0.31 -0.00 0.00 0.09 0.00 0.00 40.66 41.36 2g1e h LEU 31 CO 0.01 -0.19 -0.07 -0.33 0.09 0.00 0.00 178.44 177.96 2g1e h GLU 32 N -0.07 0.02 -0.03 1.13 4.39 -1.48 -1.50 114.58 117.04 2g1e h GLU 32 Ca 0.20 -0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.77 2g1e h GLU 32 Cb 0.37 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.00 2g1e h GLU 32 CO -0.45 0.10 -0.56 0.00 -1.16 0.00 0.00 179.01 176.94 2g1e h ARG 33 N 0.02 0.08 0.07 2.33 2.47 -0.01 -2.54 114.38 116.79 2g1e h ARG 33 Ca 0.00 -0.05 -0.00 0.00 -1.26 0.00 0.00 59.98 58.67 2g1e h ARG 33 Cb 0.14 0.01 0.00 0.00 -1.65 0.00 0.00 29.97 28.47 2g1e h ARG 33 CO 0.01 0.61 -0.03 -0.07 0.56 0.00 0.00 179.97 181.05 2g1e h LEU 34 N 0.06 -0.08 -1.24 3.04 3.38 -0.10 0.25 115.31 120.62 2g1e h LEU 34 Ca -0.00 -0.43 0.03 0.00 0.09 0.00 0.00 57.88 57.56 2g1e h LEU 34 Cb 1.00 0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.73 2g1e h LEU 34 CO 0.08 0.41 0.52 0.11 0.09 0.00 0.00 178.44 179.65 2g1e h LYS 35 N -0.59 0.98 0.15 1.13 1.57 -1.51 0.26 116.57 118.56 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 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.59 2g1e h LYS 35 CO 0.02 0.65 -0.07 0.28 -0.57 0.00 0.00 179.45 179.75 2g1e h VAL 36 N 1.01 0.52 -0.21 0.50 2.07 -1.45 0.29 116.25 118.98 2g1e h VAL 36 Ca 0.31 -1.12 0.05 0.00 0.82 0.00 0.00 66.70 66.76 2g1e h VAL 36 Cb -0.02 0.93 -0.05 0.00 -1.52 0.00 0.00 31.29 30.63 2g1e h VAL 36 CO -0.08 0.15 -0.09 -0.33 0.02 0.00 0.00 177.57 177.24 2g1e h GLU 37 N -0.98 -0.06 0.00 1.57 4.39 -0.43 -1.74 114.58 117.34 2g1e h GLU 37 Ca -0.02 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.61 2g1e h GLU 37 Cb 0.41 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.06 2g1e h GLU 37 CO 0.03 -0.04 -0.36 1.88 -1.16 0.00 0.00 179.01 179.36 2g1e h TYR 38 N -0.06 0.00 0.00 4.33 0.05 -0.61 -3.50 116.97 117.18 2g1e h TYR 38 Ca 0.11 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.89 2g1e h TYR 38 Cb 0.23 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.97 2g1e h TYR 38 CO -0.26 0.36 0.00 0.41 -1.05 0.00 0.00 178.16 177.63 2g1e n GLY 39 N 0.74 -1.82 0.13 3.88 0.00 0.10 -4.28 105.19 103.94 2g1e n GLY 39 Ca 0.01 -1.70 -0.03 0.00 0.00 0.00 0.00 46.02 44.31 2g1e n GLY 39 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2g1e h SER 40 N 0.00 0.03 -1.01 1.61 0.02 -1.88 -3.17 113.55 109.15 2g1e h SER 40 Ca 0.00 -0.02 0.22 0.00 -0.84 0.00 0.00 61.79 61.15 2g1e h SER 40 Cb 0.00 -0.01 -0.11 0.00 0.14 0.00 0.00 62.40 62.42 2g1e h SER 40 CO 0.00 0.70 0.61 -0.08 -1.14 0.00 0.00 176.83 176.92 2g1e h GLU 41 N 0.02 0.62 -0.02 3.45 4.81 -1.91 0.27 114.58 121.81 2g1e h GLU 41 Ca -0.01 -0.04 -0.21 0.00 -0.13 0.00 0.00 59.36 58.97 2g1e h GLU 41 Cb 1.20 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 30.44 2g1e h GLU 41 CO 0.09 0.41 -0.88 0.35 -0.73 0.00 0.00 179.01 178.25 2g1e h PHE 42 N 0.63 0.55 -0.20 0.92 3.57 -1.73 -1.34 116.94 119.34 2g1e h PHE 42 Ca 0.61 -0.28 -0.04 0.00 3.53 0.00 0.00 57.97 61.78 2g1e h PHE 42 Cb 1.12 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.79 2g1e h PHE 42 CO -0.00 1.09 -0.04 1.15 -2.23 0.00 0.00 178.31 178.28 2g1e h THR 43 N 0.22 1.28 -0.20 4.41 2.02 -0.73 -1.45 112.91 118.47 2g1e h THR 43 Ca -0.06 -0.99 -0.12 0.00 0.77 0.00 0.00 66.41 66.01 2g1e h THR 43 Cb 1.50 1.53 0.00 0.00 -1.74 0.00 0.00 68.15 69.44 2g1e h THR 43 CO 0.15 0.30 -0.35 0.11 0.37 0.00 0.00 175.52 176.10 2g1e h LYS 44 N 0.11 0.59 0.00 6.66 1.79 -0.70 0.27 116.57 125.28 2g1e h LYS 44 Ca 0.05 -0.37 -0.00 0.00 -2.18 0.00 0.00 60.65 58.15 2g1e h LYS 44 Cb 0.47 0.04 -0.00 0.00 -1.58 0.00 0.00 32.23 31.16 2g1e h LYS 44 CO 0.02 0.98 -0.01 1.96 -1.08 0.00 0.00 179.45 181.31 2g1e h GLN 45 N 0.26 0.00 0.01 3.15 1.08 -1.26 -2.64 115.11 115.71 2g1e h GLN 45 Ca 0.01 0.00 -0.36 0.00 -1.45 0.00 0.00 58.65 56.85 2g1e h GLN 45 Cb 0.94 0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 28.31 2g1e h GLN 45 CO 0.08 0.01 -2.28 -1.33 -0.95 0.00 0.00 178.83 174.36 2g1e n MET 46 N -3.15 0.68 -2.08 1.46 2.81 -0.55 -4.84 117.12 111.45 2g1e n MET 46 Ca -0.02 0.09 -0.39 0.00 -1.81 0.00 0.00 57.70 55.58 2g1e n MET 46 Cb 0.18 -1.58 -0.03 0.00 -0.71 0.00 0.00 33.22 31.08 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 -2.52 1.73 -0.53 2.03 1.51 0.92 -4.26 117.35 116.23 2g1e s TYR 47 Ca -0.16 0.72 0.03 0.00 -1.01 0.00 0.00 57.07 56.66 2g1e s TYR 47 Cb 0.07 -4.13 0.13 0.00 -0.11 0.00 0.00 41.96 37.92 2g1e s TYR 47 CO 0.77 -2.32 0.28 -0.51 -1.11 0.00 0.00 175.55 172.67 2g1e s ASP 48 N 7.58 4.41 0.00 2.29 1.01 -1.26 -4.89 116.67 125.81 2g1e s ASP 48 Ca 0.66 -3.01 0.00 0.00 0.71 0.00 0.00 52.55 50.91 2g1e s ASP 48 Cb -0.13 -1.66 0.00 0.00 1.01 0.00 0.00 42.92 42.14 2g1e s ASP 48 CO 0.21 -0.24 0.00 0.61 0.21 0.00 0.00 175.17 175.96 2g1e n GLY 49 N 3.13 1.57 1.43 0.21 0.00 -1.26 -4.67 105.19 105.59 2g1e n GLY 49 Ca 0.05 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.28 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 0.03 -4.63 1.61 3.02 -1.26 -5.11 115.26 108.92 2g1e n ASN 50 Ca 0.00 0.00 -0.24 0.00 -0.03 0.00 0.00 54.58 54.31 2g1e n ASN 50 Cb 0.00 0.00 -0.08 0.00 -0.61 0.00 0.00 39.78 39.09 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 -4.98 4.29 0.06 6.41 -0.87 -1.26 -5.08 114.94 113.51 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 -0.93 0.28 -0.07 0.60 7.94 -1.26 -4.35 117.00 119.20 2g1e n LEU 52 Ca -0.05 0.09 0.22 0.00 -1.11 0.00 0.00 56.01 55.17 2g1e n LEU 52 Cb 0.61 -0.04 0.68 0.00 0.53 0.00 0.00 43.42 45.20 2g1e n LEU 52 CO 0.42 -0.60 1.21 0.15 -1.11 0.00 0.00 177.39 177.46 2g1e h PHE 53 N 0.00 0.05 0.00 1.96 3.57 -1.95 0.42 116.94 120.99 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 -0.01 -0.00 0.00 2.79 0.00 0.00 35.95 38.73 2g1e h PHE 53 CO 0.00 0.02 -0.00 -0.22 -2.23 0.00 0.00 178.31 175.87 2g1e h LYS 54 N 0.04 0.00 0.00 1.11 3.64 -2.01 -2.70 116.57 116.64 2g1e h LYS 54 Ca 0.32 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.66 2g1e h LYS 54 Cb 1.22 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.04 2g1e h LYS 54 CO -0.02 0.00 -1.31 0.09 -2.27 0.00 0.00 179.45 175.95 2g1e n ASN 55 N -3.48 3.68 -4.50 4.20 4.13 0.11 -5.04 115.26 114.35 2g1e n ASN 55 Ca -0.03 0.00 -0.40 0.00 1.68 0.00 0.00 54.58 55.83 2g1e n ASN 55 Cb 0.08 1.01 0.02 0.00 -1.54 0.00 0.00 39.78 39.35 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 -1.90 2.25 -3.90 2.41 3.14 0.11 -4.53 118.33 115.91 2g1e n VAL 56 Ca -0.04 -0.50 -0.30 0.00 -2.96 0.00 0.00 64.34 60.54 2g1e n VAL 56 Cb 0.36 -0.77 -0.16 0.00 -1.06 0.00 0.00 33.84 32.21 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 -1.53 1.33 -0.05 1.55 2.07 -1.26 -4.95 121.20 118.36 2g1e s ILE 57 Ca 0.66 -1.08 0.06 0.00 -1.41 0.00 0.00 60.65 58.88 2g1e s ILE 57 Cb -0.52 -1.64 -0.01 0.00 0.13 0.00 0.00 42.46 40.42 2g1e s ILE 57 CO 0.55 -0.12 -0.24 0.27 -1.91 0.00 0.00 174.94 173.50 2g1e s ILE 58 N 1.49 1.92 -0.22 2.00 -0.00 -1.26 -2.48 121.20 122.65 2g1e s ILE 58 Ca -0.05 -1.00 -0.06 0.00 -0.00 0.00 0.00 60.65 59.54 2g1e s ILE 58 Cb -0.18 -1.62 -0.02 0.00 -0.00 0.00 0.00 42.46 40.63 2g1e s ILE 58 CO -0.07 0.54 0.02 -0.76 -0.00 0.00 0.00 174.94 174.67 2g1e s LEU 59 N -0.23 3.28 -0.22 0.37 1.43 -1.00 -3.50 118.68 118.82 2g1e s LEU 59 Ca -0.01 -0.22 -0.11 0.00 -1.03 0.00 0.00 54.13 52.76 2g1e s LEU 59 Cb -0.12 -1.85 -0.05 0.00 0.03 0.00 0.00 46.19 44.20 2g1e s LEU 59 CO 0.02 0.03 0.19 0.54 0.23 0.00 0.00 176.35 177.36 2g1e s VAL 60 N 1.23 5.35 -0.98 -1.59 0.11 -0.45 -2.08 120.40 122.00 2g1e s VAL 60 Ca 0.04 0.29 -0.00 0.00 -2.93 0.00 0.00 61.98 59.37 2g1e s VAL 60 Cb -0.15 -3.53 0.00 0.00 -1.53 0.00 0.00 36.38 31.17 2g1e s VAL 60 CO 0.02 0.37 0.02 -3.20 -3.33 0.00 0.00 175.10 168.97 2g1e n ASN 61 N 4.02 -3.67 -1.90 3.54 5.15 0.74 -2.12 115.26 121.02 2g1e n ASN 61 Ca -0.14 0.19 -0.04 0.00 -0.60 0.00 0.00 54.58 54.00 2g1e n ASN 61 Cb 0.52 -3.13 0.02 0.00 -0.53 0.00 0.00 39.78 36.66 2g1e n ASN 61 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2g1e n GLY 62 N -0.80 0.41 3.64 8.20 0.00 -1.26 -5.01 105.19 110.37 2g1e n GLY 62 Ca -0.13 -0.09 0.02 0.00 0.00 0.00 0.00 46.02 45.82 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 -3.10 -0.13 0.17 1.61 3.84 -0.90 -5.14 114.94 111.29 2g1e s ASN 63 Ca 0.10 0.20 -0.32 0.00 0.21 0.00 0.00 52.86 53.06 2g1e s ASN 63 Cb -0.01 1.05 -0.12 0.00 -0.55 0.00 0.00 41.25 41.62 2g1e s ASN 63 CO 0.18 -0.03 1.74 -0.46 -2.79 0.00 0.00 177.10 175.74 2g1e n ASN 64 N 3.20 3.87 0.11 -4.21 0.23 -1.26 -1.34 115.26 115.86 2g1e n ASN 64 Ca -0.17 1.04 -0.03 0.00 -0.53 0.00 0.00 54.58 54.88 2g1e n ASN 64 Cb 0.56 -1.54 0.05 0.00 -2.08 0.00 0.00 39.78 36.77 2g1e n ASN 64 CO 0.00 0.00 0.00 0.16 -0.93 0.00 0.00 177.26 176.49 2g1e h ILE 65 N 4.08 1.53 -0.38 1.53 3.07 -1.82 -3.15 117.51 122.37 2g1e h ILE 65 Ca -0.44 -2.65 0.11 0.00 1.55 0.00 0.00 64.86 63.42 2g1e h ILE 65 Cb 1.22 2.44 -0.02 0.00 -0.27 0.00 0.00 36.82 40.19 2g1e h ILE 65 CO 0.94 0.75 0.37 0.71 -1.05 0.00 0.00 178.15 179.87 2g1e h THR 66 N 0.00 0.48 -0.77 0.16 1.35 -1.86 0.16 112.91 112.43 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 1.38 0.72 -0.23 0.00 -1.73 0.00 0.00 68.15 68.28 2g1e h THR 66 CO 0.10 0.00 0.58 -0.24 -0.25 0.00 0.00 175.52 175.71 2g1e n SER 67 N -3.88 5.07 0.00 5.36 2.88 -1.19 -4.69 113.62 117.17 2g1e n SER 67 Ca 0.06 -3.34 0.00 0.00 -1.33 0.00 0.00 58.87 54.27 2g1e n SER 67 Cb 0.54 -0.87 0.00 0.00 -0.75 0.00 0.00 64.21 63.13 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 -0.60 0.00 -4.33 -1.46 0.00 0.37 -5.05 117.12 106.04 2g1e n MET 68 Ca 0.47 0.00 -0.18 0.00 -0.00 0.00 0.00 57.70 58.00 2g1e n MET 68 Cb 1.08 0.00 -0.10 0.00 0.00 0.00 0.00 33.22 34.20 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 1.29 0.00 2.12 2.47 -0.12 -5.08 119.74 120.42 2g1e s LYS 69 Ca 0.00 -1.60 0.00 0.00 -1.56 0.00 0.00 55.97 52.81 2g1e s LYS 69 Cb 0.00 -0.91 0.00 0.00 -1.46 0.00 0.00 37.83 35.46 2g1e s LYS 69 CO 0.00 0.09 0.00 0.41 0.16 0.00 0.00 175.35 176.01 2g1e n GLY 70 N -0.37 0.03 0.19 5.54 0.00 -1.26 -3.94 105.19 105.39 2g1e n GLY 70 Ca -0.08 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.03 2g1e n GLY 70 CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 173.32 173.49 2g1e h LEU 71 N 0.00 0.00 -1.31 0.99 8.10 -1.98 -3.08 115.31 118.04 2g1e h LEU 71 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.99 2g1e h LEU 71 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.22 2g1e h LEU 71 CO 0.00 0.19 0.00 -0.67 -4.11 0.00 0.00 178.44 173.85 2g1e n ASP 72 N -3.15 1.90 -4.77 0.17 2.03 -1.26 -2.95 116.55 108.52 2g1e n ASP 72 Ca 0.03 -2.00 -0.40 0.00 0.52 0.00 0.00 54.79 52.94 2g1e n ASP 72 Cb 0.59 -0.24 0.01 0.00 -0.72 0.00 0.00 41.12 40.77 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 2.13 0.28 5.18 2.01 -1.16 -4.92 115.64 117.63 2g1e s THR 73 Ca 0.24 0.12 0.11 0.00 0.31 0.00 0.00 61.69 62.47 2g1e s THR 73 Cb 0.12 -3.07 -0.05 0.00 0.01 0.00 0.00 72.50 69.51 2g1e s THR 73 CO 0.16 0.02 -0.11 -1.61 -0.69 0.00 0.00 174.62 172.39 2g1e s GLU 74 N -2.35 1.95 0.15 4.92 2.02 -1.26 -1.92 118.70 122.21 2g1e s GLU 74 Ca 0.59 -1.62 0.07 0.00 0.02 0.00 0.00 54.97 54.02 2g1e s GLU 74 Cb -0.44 -1.94 -0.04 0.00 0.10 0.00 0.00 34.13 31.82 2g1e s GLU 74 CO 0.57 0.34 0.01 0.42 0.02 0.00 0.00 175.26 176.62 2g1e s ILE 75 N -2.43 3.84 0.78 -1.63 1.01 -1.16 -4.90 121.20 116.71 2g1e s ILE 75 Ca 0.31 -1.30 -0.08 0.00 0.00 0.00 0.00 60.65 59.58 2g1e s ILE 75 Cb -0.05 -2.91 0.12 0.00 0.01 0.00 0.00 42.46 39.62 2g1e s ILE 75 CO 0.17 -0.06 1.10 -0.54 0.00 0.00 0.00 174.94 175.61 2g1e s LYS 76 N -2.81 1.64 0.56 2.79 -0.14 -1.26 -4.91 119.74 115.60 2g1e s LYS 76 Ca 0.27 -0.50 0.28 0.00 -1.36 0.00 0.00 55.97 54.66 2g1e s LYS 76 Cb -0.10 -2.11 1.47 0.00 -1.68 0.00 0.00 37.83 35.40 2g1e s LYS 76 CO 0.19 -1.62 1.96 0.38 -0.76 0.00 0.00 175.35 175.49 2g1e h ASP 77 N -0.88 0.00 -0.46 2.83 2.03 -2.01 -0.63 116.42 117.30 2g1e h ASP 77 Ca -0.42 0.00 0.02 0.00 -0.73 0.00 0.00 57.03 55.89 2g1e h ASP 77 Cb 1.28 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 39.75 2g1e h ASP 77 CO 0.49 0.00 0.28 0.44 -1.03 0.00 0.00 179.24 179.42 2g1e h ASP 78 N 0.00 0.46 -4.82 4.15 5.19 -1.95 -3.48 116.42 115.96 2g1e h ASP 78 Ca 0.25 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.66 2g1e h ASP 78 Cb 1.12 -0.10 0.00 0.00 0.18 0.00 0.00 39.33 40.53 2g1e h ASP 78 CO -0.00 0.33 -0.50 0.47 -3.12 0.00 0.00 179.24 176.42 2g1e n ASP 79 N -4.82 -6.85 -3.67 6.45 8.00 -0.25 -4.75 116.55 110.65 2g1e n ASP 79 Ca 0.02 0.61 -0.12 0.00 0.71 0.00 0.00 54.79 56.01 2g1e n ASP 79 Cb 0.06 -4.56 -0.12 0.00 -0.02 0.00 0.00 41.12 36.47 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 -2.08 0.21 -0.01 -1.24 2.36 -1.26 -1.77 119.74 115.95 2g1e s LYS 80 Ca 0.16 0.77 0.06 0.00 -2.55 0.00 0.00 55.97 54.41 2g1e s LYS 80 Cb -0.04 0.02 -0.02 0.00 -1.05 0.00 0.00 37.83 36.74 2g1e s LYS 80 CO 0.63 -0.25 -0.20 0.42 1.55 0.00 0.00 175.35 177.50 2g1e s ILE 81 N 2.19 1.58 -0.07 5.43 1.01 -1.01 -0.18 121.20 130.16 2g1e s ILE 81 Ca -0.02 -0.88 0.05 0.00 0.00 0.00 0.00 60.65 59.80 2g1e s ILE 81 Cb -0.11 -1.32 -0.00 0.00 0.01 0.00 0.00 42.46 41.03 2g1e s ILE 81 CO -0.10 0.43 -0.23 -1.81 0.00 0.00 0.00 174.94 173.24 2g1e s ASP 82 N -0.51 2.86 -0.29 3.58 1.11 -0.88 -0.12 116.67 122.41 2g1e s ASP 82 Ca 0.08 -0.49 -0.06 0.00 0.18 0.00 0.00 52.55 52.26 2g1e s ASP 82 Cb -0.08 -0.99 0.01 0.00 1.07 0.00 0.00 42.92 42.93 2g1e s ASP 82 CO -0.01 0.19 0.06 -0.76 1.18 0.00 0.00 175.17 175.83 2g1e s LEU 83 N 0.08 3.79 0.08 1.23 1.43 -0.91 -2.37 118.68 122.00 2g1e s LEU 83 Ca -0.09 -0.77 0.06 0.00 -1.03 0.00 0.00 54.13 52.29 2g1e s LEU 83 Cb -0.15 -1.85 -0.04 0.00 0.03 0.00 0.00 46.19 44.19 2g1e s LEU 83 CO 0.05 -0.19 -0.10 -0.36 0.23 0.00 0.00 176.35 175.98 2g1e s PHE 84 N 1.46 2.76 -0.26 0.29 0.40 -1.03 -2.15 117.98 119.45 2g1e s PHE 84 Ca 0.02 -0.14 -0.29 0.00 -0.60 0.00 0.00 56.93 55.92 2g1e s PHE 84 Cb -0.17 -1.48 -0.02 0.00 0.51 0.00 0.00 43.02 41.86 2g1e s PHE 84 CO 0.01 0.40 1.64 -1.25 0.70 0.00 0.00 175.22 176.72 2g1e s PRO 85 N -1.97 3.69 1.08 0.24 0.04 -1.26 -4.05 135.00 132.76 2g1e s PRO 85 Ca 0.20 1.56 -0.15 0.00 0.04 0.00 0.00 61.00 62.65 2g1e s PRO 85 Cb -0.11 -4.07 0.23 0.00 0.04 0.00 0.00 34.50 30.59 2g1e s PRO 85 CO 0.12 -1.42 1.10 -1.25 0.04 0.00 0.00 177.00 175.58 2g1e s PRO 86 N 4.89 -0.21 0.00 0.56 0.04 -1.26 -4.71 135.00 134.31 2g1e s PRO 86 Ca 0.72 0.29 -0.02 0.00 0.04 0.00 0.00 61.00 62.04 2g1e s PRO 86 Cb -0.24 -1.68 -0.01 0.00 0.04 0.00 0.00 34.50 32.61 2g1e s PRO 86 CO 0.30 -3.11 1.03 0.28 0.04 0.00 0.00 177.00 175.54 2g1e h VAL 87 N -2.16 0.00 -0.30 -0.36 2.07 -1.79 0.15 116.25 113.86 2g1e h VAL 87 Ca -0.52 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.05 2g1e h VAL 87 Cb 1.32 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 31.05 2g1e h VAL 87 CO 0.50 0.00 0.06 0.00 0.02 0.00 0.00 177.57 178.15 2g1e h ALA 88 N -1.51 0.31 -0.37 1.67 0.00 -1.93 -1.06 119.26 116.36 2g1e h ALA 88 Ca -0.00 0.06 0.11 0.00 0.00 0.00 0.00 54.91 55.07 2g1e h ALA 88 Cb 0.04 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2g1e h ALA 88 CO -0.01 -0.35 0.38 0.78 0.00 0.00 0.00 179.25 180.05 2g1e h GLY 89 N 0.17 0.00 0.00 0.00 0.00 -1.71 -3.42 103.07 98.11 2g1e h GLY 89 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.47 2g1e h GLY 89 CO -0.19 0.00 0.00 0.61 0.00 0.00 0.00 176.54 176.96