#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 1.69 -0.36 3.17 -7.23 0.84 -4.89 120.40 113.63 2g1e s VAL 2 Ca 0.00 -0.85 -0.14 0.00 -1.81 0.00 0.00 61.98 59.18 2g1e s VAL 2 Cb 0.00 -1.45 -0.01 0.00 0.56 0.00 0.00 36.38 35.48 2g1e s VAL 2 CO 0.00 0.48 0.31 -0.89 -0.31 0.00 0.00 175.10 174.69 2g1e s THR 3 N 0.07 5.22 0.07 5.32 2.01 -0.97 -0.74 115.64 126.62 2g1e s THR 3 Ca -0.07 -0.19 0.03 0.00 0.31 0.00 0.00 61.69 61.78 2g1e s THR 3 Cb -0.13 -3.81 -0.04 0.00 0.01 0.00 0.00 72.50 68.53 2g1e s THR 3 CO 0.04 -0.11 0.05 -0.69 -0.69 0.00 0.00 174.62 173.21 2g1e s VAL 4 N 1.86 4.34 0.08 3.82 1.01 -0.43 -2.22 120.40 128.87 2g1e s VAL 4 Ca 0.09 -0.79 0.07 0.00 0.00 0.00 0.00 61.98 61.35 2g1e s VAL 4 Cb -0.17 -3.06 -0.04 0.00 0.00 0.00 0.00 36.38 33.11 2g1e s VAL 4 CO 0.11 0.17 -0.14 -0.13 0.00 0.00 0.00 175.10 175.12 2g1e s ARG 5 N -2.22 2.07 -0.12 2.72 0.52 0.95 -2.40 118.95 120.48 2g1e s ARG 5 Ca 0.27 -1.02 0.02 0.00 -0.52 0.00 0.00 55.73 54.48 2g1e s ARG 5 Cb -0.12 -2.25 0.01 0.00 0.52 0.00 0.00 34.95 33.11 2g1e s ARG 5 CO 0.19 0.52 -0.18 0.71 0.02 0.00 0.00 175.30 176.56 2g1e s TYR 6 N -1.10 2.24 0.00 -0.53 2.02 -1.21 -1.86 117.35 116.91 2g1e s TYR 6 Ca 0.18 -1.08 0.00 0.00 -0.37 0.00 0.00 57.07 55.80 2g1e s TYR 6 Cb -0.11 -1.57 0.00 0.00 -0.40 0.00 0.00 41.96 39.88 2g1e s TYR 6 CO 0.10 -0.52 0.00 0.66 -1.57 0.00 0.00 175.55 174.22 2g1e n TYR 7 N 4.13 0.00 0.00 2.71 4.02 -0.89 -4.61 117.16 122.52 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 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.83 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 -2.00 0.00 0.22 -0.72 0.00 -1.18 -4.61 120.51 112.21 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 0.32 0.00 0.13 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 -0.44 1.53 0.12 0.00 -2.24 -1.26 -2.03 114.28 109.97 2g1e n THR 9 Ca 0.00 0.38 0.01 0.00 -2.27 0.00 0.00 64.05 62.17 2g1e n THR 9 Cb 0.00 -1.28 0.34 0.00 -2.10 0.00 0.00 70.33 67.29 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 0.20 0.14 3.22 5.85 -1.95 -2.84 115.31 119.93 2g1e h LEU 10 Ca 0.00 -0.06 0.01 0.00 0.84 0.00 0.00 57.88 58.67 2g1e h LEU 10 Cb 0.10 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.04 2g1e h LEU 10 CO 0.00 0.45 -0.42 0.03 -0.34 0.00 0.00 178.44 178.16 2g1e h ARG 11 N 0.19 -0.61 0.00 1.25 3.08 -1.66 0.28 114.38 116.90 2g1e h ARG 11 Ca 0.03 0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.12 2g1e h ARG 11 Cb 0.54 0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.73 2g1e h ARG 11 CO 0.04 -0.41 0.00 -0.35 -1.07 0.00 0.00 179.97 178.18 2g1e n PRO 12 N -4.87 0.07 -0.02 0.04 -0.04 -1.21 -0.12 135.00 128.84 2g1e n PRO 12 Ca -0.07 0.22 -0.08 0.00 -0.04 0.00 0.00 63.50 63.53 2g1e n PRO 12 Cb 0.34 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.16 2g1e n PRO 12 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 2g1e n ILE 13 N -1.43 1.53 0.51 0.52 5.41 -0.38 -4.24 119.36 121.28 2g1e n ILE 13 Ca 0.05 -0.79 0.07 0.00 1.00 0.00 0.00 62.75 63.08 2g1e n ILE 13 Cb 0.15 -0.93 -0.09 0.00 -0.71 0.00 0.00 39.64 38.05 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 -2.99 0.00 -2.37 1.39 -2.24 0.84 -4.99 114.28 103.93 2g1e n THR 14 Ca -0.18 -0.21 -0.21 0.00 -2.27 0.00 0.00 64.05 61.19 2g1e n THR 14 Cb 1.04 0.76 -0.01 0.00 -2.10 0.00 0.00 70.33 70.01 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 -1.54 -1.70 -4.08 -0.78 5.02 0.82 -4.97 118.16 110.94 2g1e n LYS 15 Ca 0.01 1.01 -0.08 0.00 -2.02 0.00 0.00 58.31 57.23 2g1e n LYS 15 Cb 0.28 -5.66 -0.10 0.00 -0.02 0.00 0.00 35.03 29.53 2g1e n LYS 15 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2g1e s LYS 16 N -4.99 0.77 -0.13 1.97 1.02 -1.22 -5.06 119.74 112.10 2g1e s LYS 16 Ca 0.00 -1.26 0.16 0.00 0.02 0.00 0.00 55.97 54.89 2g1e s LYS 16 Cb 0.00 0.24 -0.24 0.00 -0.52 0.00 0.00 37.83 37.32 2g1e s LYS 16 CO 0.00 -0.19 0.15 1.63 -0.92 0.00 0.00 175.35 176.02 2g1e n LYS 17 N 0.01 1.00 -3.69 1.68 5.02 -1.26 -4.69 118.16 116.24 2g1e n LYS 17 Ca -0.11 -0.05 -0.14 0.00 -2.02 0.00 0.00 58.31 55.99 2g1e n LYS 17 Cb 0.62 -1.45 -0.09 0.00 -0.02 0.00 0.00 35.03 34.10 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 -2.66 0.67 0.11 1.97 2.12 -1.26 -3.31 118.70 116.34 2g1e s GLU 18 Ca -0.08 0.42 -0.05 0.00 0.36 0.00 0.00 54.97 55.62 2g1e s GLU 18 Cb 0.07 0.32 -0.02 0.00 0.26 0.00 0.00 34.13 34.75 2g1e s GLU 18 CO 0.73 -0.13 0.12 -1.21 -0.54 0.00 0.00 175.26 174.23 2g1e s GLU 19 N -0.32 0.89 0.11 4.30 0.41 -1.01 -5.03 118.70 118.05 2g1e s GLU 19 Ca -0.05 -1.21 0.09 0.00 -0.41 0.00 0.00 54.97 53.39 2g1e s GLU 19 Cb -0.03 0.29 -0.04 0.00 -1.78 0.00 0.00 34.13 32.57 2g1e s GLU 19 CO 0.03 -0.27 -0.21 0.95 -0.49 0.00 0.00 175.26 175.27 2g1e s THR 20 N -3.96 2.61 0.13 3.63 -4.23 -1.26 -1.31 115.64 111.25 2g1e s THR 20 Ca 0.14 -1.55 0.00 0.00 -1.18 0.00 0.00 61.69 59.11 2g1e s THR 20 Cb 0.06 -2.17 -0.04 0.00 1.34 0.00 0.00 72.50 71.69 2g1e s THR 20 CO -0.04 0.14 0.01 -0.36 -0.54 0.00 0.00 174.62 173.82 2g1e s PHE 21 N -1.07 0.93 -0.03 3.99 0.08 0.08 -4.94 117.98 117.02 2g1e s PHE 21 Ca 0.16 -1.10 -0.05 0.00 0.12 0.00 0.00 56.93 56.06 2g1e s PHE 21 Cb -0.10 -0.54 0.01 0.00 -0.57 0.00 0.00 43.02 41.81 2g1e s PHE 21 CO 0.08 -0.35 0.13 1.21 -0.10 0.00 0.00 175.22 176.18 2g1e s ASN 22 N -3.07 -0.07 0.00 1.36 3.84 -1.26 -0.11 114.94 115.63 2g1e s ASN 22 Ca 0.20 0.08 0.00 0.00 0.21 0.00 0.00 52.86 53.35 2g1e s ASN 22 Cb 0.07 0.25 0.00 0.00 -0.55 0.00 0.00 41.25 41.01 2g1e s ASN 22 CO -0.00 -0.16 0.00 0.61 -2.79 0.00 0.00 177.10 174.76 2g1e n GLY 23 N 2.44 2.95 3.66 1.21 0.00 -1.26 -5.05 105.19 109.14 2g1e n GLY 23 Ca -0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.70 5.14 -0.02 -0.61 1.01 -1.26 -4.91 121.20 117.86 2g1e s ILE 24 Ca 0.00 0.82 0.03 0.00 0.00 0.00 0.00 60.65 61.50 2g1e s ILE 24 Cb 0.00 -3.79 -0.05 0.00 0.01 0.00 0.00 42.46 38.64 2g1e s ILE 24 CO 0.00 0.20 0.04 -1.20 0.00 0.00 0.00 174.94 173.98 2g1e n SER 25 N 4.76 4.24 -4.54 3.58 7.64 -1.26 -4.91 113.62 123.14 2g1e n SER 25 Ca -0.06 0.00 -0.27 0.00 1.01 0.00 0.00 58.87 59.54 2g1e n SER 25 Cb 0.51 0.89 -0.10 0.00 -1.01 0.00 0.00 64.21 64.50 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 -2.16 1.95 0.24 1.43 -0.14 -1.26 -3.12 119.74 116.68 2g1e s LYS 26 Ca -0.01 -1.27 -0.06 0.00 -1.36 0.00 0.00 55.97 53.27 2g1e s LYS 26 Cb 0.02 -2.12 0.25 0.00 -1.68 0.00 0.00 37.83 34.29 2g1e s LYS 26 CO 0.13 0.44 1.89 0.82 -0.76 0.00 0.00 175.35 177.88 2g1e h ILE 27 N 2.98 1.26 -0.16 2.17 1.08 -1.62 -2.39 117.51 120.84 2g1e h ILE 27 Ca -0.47 -0.56 0.05 0.00 -0.39 0.00 0.00 64.86 63.49 2g1e h ILE 27 Cb 1.20 -0.07 -0.06 0.00 -3.07 0.00 0.00 36.82 34.82 2g1e h ILE 27 CO 0.52 0.27 -0.27 -1.28 -0.69 0.00 0.00 178.15 176.69 2g1e h SER 28 N 1.29 -0.85 0.02 1.72 0.87 -1.78 0.23 113.55 115.05 2g1e h SER 28 Ca 0.34 0.14 -0.03 0.00 -1.23 0.00 0.00 61.79 61.00 2g1e h SER 28 Cb -0.05 0.38 -0.01 0.00 -0.44 0.00 0.00 62.40 62.27 2g1e h SER 28 CO -0.06 -0.32 -0.08 -0.33 -0.53 0.00 0.00 176.83 175.51 2g1e h GLU 29 N -0.33 0.15 0.06 2.24 4.39 -1.82 -2.82 114.58 116.44 2g1e h GLU 29 Ca 0.11 -0.02 -0.00 0.00 0.34 0.00 0.00 59.36 59.78 2g1e h GLU 29 Cb 0.49 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.12 2g1e h GLU 29 CO -0.34 0.24 -0.03 1.25 -1.16 0.00 0.00 179.01 178.97 2g1e h LEU 30 N 0.15 -0.07 -0.46 1.33 7.12 -0.56 -1.86 115.31 120.96 2g1e h LEU 30 Ca 0.03 -0.37 0.09 0.00 0.13 0.00 0.00 57.88 57.76 2g1e h LEU 30 Cb 0.24 0.02 -0.09 0.00 -0.53 0.00 0.00 40.66 40.30 2g1e h LEU 30 CO 0.01 0.35 -0.11 -0.07 -0.13 0.00 0.00 178.44 178.49 2g1e h LEU 31 N -0.49 -0.41 -1.51 2.25 3.38 -0.42 0.17 115.31 118.27 2g1e h LEU 31 Ca -0.01 0.14 -0.05 0.00 0.09 0.00 0.00 57.88 58.05 2g1e h LEU 31 Cb 0.43 0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.46 2g1e h LEU 31 CO 0.01 -0.15 -0.25 -0.33 0.09 0.00 0.00 178.44 177.82 2g1e h GLU 32 N 0.01 0.00 -0.07 1.13 4.39 -1.53 -2.30 114.58 116.21 2g1e h GLU 32 Ca 0.22 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.78 2g1e h GLU 32 Cb 0.34 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.98 2g1e h GLU 32 CO -0.47 0.25 -0.58 0.00 -1.16 0.00 0.00 179.01 177.05 2g1e h ARG 33 N 0.00 0.23 0.10 2.33 2.47 0.10 -2.61 114.38 117.00 2g1e h ARG 33 Ca -0.00 -0.15 -0.01 0.00 -1.26 0.00 0.00 59.98 58.56 2g1e h ARG 33 Cb 0.44 0.02 0.00 0.00 -1.65 0.00 0.00 29.97 28.78 2g1e h ARG 33 CO 0.03 0.74 -0.05 -0.07 0.56 0.00 0.00 179.97 181.18 2g1e h LEU 34 N 0.17 -0.12 -1.04 3.04 3.38 -0.38 0.25 115.31 120.61 2g1e h LEU 34 Ca -0.00 -0.39 0.07 0.00 0.09 0.00 0.00 57.88 57.65 2g1e h LEU 34 Cb 1.06 0.03 -0.07 0.00 0.09 0.00 0.00 40.66 41.77 2g1e h LEU 34 CO 0.09 0.36 0.63 0.11 0.09 0.00 0.00 178.44 179.72 2g1e h LYS 35 N -0.63 1.08 0.17 1.13 1.57 -1.52 0.19 116.57 118.56 2g1e h LYS 35 Ca -0.01 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 2g1e h LYS 35 Cb 0.50 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 32.57 2g1e h LYS 35 CO 0.02 0.72 -0.08 0.28 -0.57 0.00 0.00 179.45 179.82 2g1e h VAL 36 N 1.12 0.55 -0.38 0.50 2.07 -1.46 0.25 116.25 118.90 2g1e h VAL 36 Ca 0.43 -1.09 0.08 0.00 0.82 0.00 0.00 66.70 66.94 2g1e h VAL 36 Cb 0.23 0.97 -0.08 0.00 -1.52 0.00 0.00 31.29 30.89 2g1e h VAL 36 CO -0.18 0.16 -0.12 -0.08 0.02 0.00 0.00 177.57 177.37 2g1e h GLU 37 N -0.97 -0.03 0.00 1.57 4.57 -0.37 -0.86 114.58 118.49 2g1e h GLU 37 Ca -0.02 0.00 -0.10 0.00 -1.18 0.00 0.00 59.36 58.06 2g1e h GLU 37 Cb 0.44 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.02 2g1e h GLU 37 CO 0.04 -0.02 -0.47 1.88 -1.18 0.00 0.00 179.01 179.26 2g1e h TYR 38 N -0.03 0.00 0.00 0.92 0.05 -0.74 -3.50 116.97 113.66 2g1e h TYR 38 Ca 0.19 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.97 2g1e h TYR 38 Cb 0.32 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.06 2g1e h TYR 38 CO -0.37 0.47 0.00 0.41 -1.05 0.00 0.00 178.16 177.63 2g1e n GLY 39 N 0.77 -1.81 0.13 3.88 0.00 0.89 -4.32 105.19 104.73 2g1e n GLY 39 Ca 0.01 -1.73 -0.03 0.00 0.00 0.00 0.00 46.02 44.27 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 0.05 -1.01 1.61 0.02 -1.88 -3.16 113.55 109.18 2g1e h SER 40 Ca 0.00 -0.03 0.23 0.00 -0.84 0.00 0.00 61.79 61.15 2g1e h SER 40 Cb 0.00 -0.01 -0.10 0.00 0.14 0.00 0.00 62.40 62.42 2g1e h SER 40 CO 0.00 0.71 0.63 -0.08 -1.14 0.00 0.00 176.83 176.95 2g1e h GLU 41 N 0.03 0.52 -0.02 3.45 4.81 -1.91 0.24 114.58 121.70 2g1e h GLU 41 Ca -0.01 -0.03 -0.22 0.00 -0.13 0.00 0.00 59.36 58.97 2g1e h GLU 41 Cb 1.20 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.47 2g1e h GLU 41 CO 0.09 0.35 -0.89 0.35 -0.73 0.00 0.00 179.01 178.18 2g1e h PHE 42 N 0.54 0.60 -0.16 0.92 3.57 -1.74 -1.81 116.94 118.86 2g1e h PHE 42 Ca 0.59 -0.31 -0.02 0.00 3.53 0.00 0.00 57.97 61.76 2g1e h PHE 42 Cb 1.24 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.90 2g1e h PHE 42 CO -0.00 1.12 0.03 1.15 -2.23 0.00 0.00 178.31 178.38 2g1e h THR 43 N 0.24 1.22 0.00 4.41 2.02 -0.68 -1.06 112.91 119.06 2g1e h THR 43 Ca -0.07 -0.69 -0.09 0.00 0.77 0.00 0.00 66.41 66.33 2g1e h THR 43 Cb 1.52 1.36 -0.01 0.00 -1.74 0.00 0.00 68.15 69.27 2g1e h THR 43 CO 0.15 0.21 -0.42 0.07 0.37 0.00 0.00 175.52 175.90 2g1e h LYS 44 N 0.06 0.00 0.00 6.66 5.09 -1.03 0.27 116.57 127.62 2g1e h LYS 44 Ca 0.05 0.00 -0.02 0.00 0.09 0.00 0.00 60.65 60.77 2g1e h LYS 44 Cb 0.29 0.00 -0.00 0.00 0.10 0.00 0.00 32.23 32.62 2g1e h LYS 44 CO 0.00 0.42 -0.08 1.96 -2.09 0.00 0.00 179.45 179.67 2g1e h GLN 45 N 0.00 0.00 0.00 0.07 1.08 -1.12 -3.29 115.11 111.85 2g1e h GLN 45 Ca -0.00 0.00 -0.34 0.00 -1.45 0.00 0.00 58.65 56.86 2g1e h GLN 45 Cb 0.97 0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 28.34 2g1e h GLN 45 CO 0.05 0.08 -2.26 -1.33 -0.95 0.00 0.00 178.83 174.42 2g1e n MET 46 N -3.13 0.89 -1.95 1.46 2.81 -0.42 -4.88 117.12 111.90 2g1e n MET 46 Ca 0.03 0.04 -0.40 0.00 -1.81 0.00 0.00 57.70 55.56 2g1e n MET 46 Cb 0.50 -1.46 -0.03 0.00 -0.71 0.00 0.00 33.22 31.52 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 -2.44 1.63 -0.53 2.03 1.51 0.93 -4.53 117.35 115.94 2g1e s TYR 47 Ca -0.16 0.82 0.03 0.00 -1.01 0.00 0.00 57.07 56.74 2g1e s TYR 47 Cb 0.06 -4.03 0.13 0.00 -0.11 0.00 0.00 41.96 38.01 2g1e s TYR 47 CO 0.67 -2.65 0.28 0.34 -1.11 0.00 0.00 175.55 173.09 2g1e s ASP 48 N 7.82 4.43 0.00 2.29 -1.08 -1.26 -4.88 116.67 123.99 2g1e s ASP 48 Ca 0.77 -3.00 0.00 0.00 -0.52 0.00 0.00 52.55 49.80 2g1e s ASP 48 Cb -0.18 -1.67 0.00 0.00 -1.46 0.00 0.00 42.92 39.62 2g1e s ASP 48 CO 0.27 -0.25 0.00 0.61 0.52 0.00 0.00 175.17 176.32 2g1e n GLY 49 N 3.15 1.55 0.94 2.66 0.00 -1.26 -4.67 105.19 107.54 2g1e n GLY 49 Ca 0.05 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.24 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 0.80 -4.63 1.61 4.13 -1.26 -5.10 115.26 110.80 2g1e n ASN 50 Ca 0.00 0.00 -0.24 0.00 1.68 0.00 0.00 54.58 56.02 2g1e n ASN 50 Cb 0.00 0.00 -0.08 0.00 -1.54 0.00 0.00 39.78 38.16 2g1e n ASN 50 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 2g1e s ASN 51 N -4.56 4.30 0.09 6.41 4.22 -1.26 -5.07 114.94 119.07 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 -0.63 0.00 0.00 1.28 0.00 0.00 41.25 41.90 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 0.07 0.03 3.54 -0.00 -1.26 -4.23 117.00 114.23 2g1e n LEU 52 Ca -0.05 0.15 0.20 0.00 -0.00 0.00 0.00 56.01 56.31 2g1e n LEU 52 Cb 0.61 0.08 0.70 0.00 -0.00 0.00 0.00 43.42 44.81 2g1e n LEU 52 CO 0.42 -0.61 1.18 0.15 -0.00 0.00 0.00 177.39 178.53 2g1e h PHE 53 N 0.00 0.00 0.00 1.96 3.57 -1.94 0.45 116.94 120.97 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 -2.01 -2.77 116.57 114.54 2g1e h LYS 54 Ca 0.23 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 60.01 2g1e h LYS 54 Cb 0.95 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.57 2g1e h LYS 54 CO -0.00 0.03 -1.31 0.09 -3.45 0.00 0.00 179.45 174.80 2g1e n ASN 55 N -3.48 3.51 -4.52 4.20 3.02 0.82 -5.04 115.26 113.77 2g1e n ASN 55 Ca -0.02 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.11 2g1e n ASN 55 Cb 0.13 1.21 0.01 0.00 -0.61 0.00 0.00 39.78 40.52 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 -1.79 2.06 -3.96 2.41 3.14 0.12 -4.58 118.33 115.72 2g1e n VAL 56 Ca -0.02 -0.50 -0.30 0.00 -2.96 0.00 0.00 64.34 60.55 2g1e n VAL 56 Cb 0.24 -0.76 -0.16 0.00 -1.06 0.00 0.00 33.84 32.10 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 -1.35 1.56 -0.06 1.55 2.07 -1.25 -4.97 121.20 118.75 2g1e s ILE 57 Ca 0.63 -1.09 0.05 0.00 -1.41 0.00 0.00 60.65 58.84 2g1e s ILE 57 Cb -0.61 -1.73 -0.01 0.00 0.13 0.00 0.00 42.46 40.24 2g1e s ILE 57 CO 0.57 0.04 -0.22 0.27 -1.91 0.00 0.00 174.94 173.69 2g1e s ILE 58 N 1.41 1.86 -0.24 2.00 -0.00 -1.26 -2.45 121.20 122.53 2g1e s ILE 58 Ca -0.03 -0.95 -0.08 0.00 -0.00 0.00 0.00 60.65 59.58 2g1e s ILE 58 Cb -0.17 -1.59 -0.04 0.00 -0.00 0.00 0.00 42.46 40.66 2g1e s ILE 58 CO -0.07 0.52 0.10 -0.76 -0.00 0.00 0.00 174.94 174.73 2g1e s LEU 59 N 0.02 3.72 -0.19 0.37 1.43 -0.95 -3.56 118.68 119.51 2g1e s LEU 59 Ca -0.07 -0.07 -0.11 0.00 -1.03 0.00 0.00 54.13 52.85 2g1e s LEU 59 Cb -0.14 -1.99 -0.05 0.00 0.03 0.00 0.00 46.19 44.04 2g1e s LEU 59 CO 0.04 0.02 0.18 0.54 0.23 0.00 0.00 176.35 177.37 2g1e s VAL 60 N 1.29 5.38 -1.82 -1.59 0.11 0.89 -1.45 120.40 123.20 2g1e s VAL 60 Ca 0.06 0.29 -0.23 0.00 -2.93 0.00 0.00 61.98 59.17 2g1e s VAL 60 Cb -0.15 -3.52 0.22 0.00 -1.53 0.00 0.00 36.38 31.41 2g1e s VAL 60 CO 0.05 0.42 0.61 -0.46 -3.33 0.00 0.00 175.10 172.38 2g1e n ASN 61 N 3.61 -2.02 -2.29 3.54 0.23 0.48 -1.31 115.26 117.49 2g1e n ASN 61 Ca -0.15 -1.17 -0.06 0.00 -0.53 0.00 0.00 54.58 52.67 2g1e n ASN 61 Cb 0.52 -1.74 0.03 0.00 -2.08 0.00 0.00 39.78 36.50 2g1e n ASN 61 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2g1e n GLY 62 N -1.09 -0.16 3.65 4.83 0.00 -1.26 -4.99 105.19 106.17 2g1e n GLY 62 Ca 0.11 0.12 -0.01 0.00 0.00 0.00 0.00 46.02 46.24 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 -3.06 -0.02 0.03 1.61 3.84 -0.43 -5.14 114.94 111.78 2g1e s ASN 63 Ca 0.17 0.04 -0.30 0.00 0.21 0.00 0.00 52.86 52.98 2g1e s ASN 63 Cb -0.02 0.37 -0.06 0.00 -0.55 0.00 0.00 41.25 40.98 2g1e s ASN 63 CO 0.34 -0.01 1.37 0.20 -2.79 0.00 0.00 177.10 176.21 2g1e s ASN 64 N 0.35 6.88 0.21 -4.21 -0.87 -1.26 -0.08 114.94 115.96 2g1e s ASN 64 Ca 0.02 2.14 0.09 0.00 -1.57 0.00 0.00 52.86 53.54 2g1e s ASN 64 Cb -0.04 -2.57 0.11 0.00 -0.02 0.00 0.00 41.25 38.73 2g1e s ASN 64 CO -0.14 -0.67 1.47 0.16 -2.57 0.00 0.00 177.10 175.35 2g1e h ILE 65 N 4.72 1.56 -0.40 0.60 3.07 -1.82 -3.15 117.51 122.09 2g1e h ILE 65 Ca -0.39 -2.68 0.12 0.00 1.55 0.00 0.00 64.86 63.45 2g1e h ILE 65 Cb 1.19 2.45 -0.02 0.00 -0.27 0.00 0.00 36.82 40.17 2g1e h ILE 65 CO 0.88 0.76 0.38 0.71 -1.05 0.00 0.00 178.15 179.83 2g1e h THR 66 N 0.00 0.49 -1.00 0.16 1.35 -1.85 0.24 112.91 112.29 2g1e h THR 66 Ca -0.01 0.00 -0.57 0.00 -0.55 0.00 0.00 66.41 65.29 2g1e h THR 66 Cb 1.39 0.71 -0.30 0.00 -1.73 0.00 0.00 68.15 68.21 2g1e h THR 66 CO 0.10 0.00 0.72 -0.24 -0.25 0.00 0.00 175.52 175.85 2g1e n SER 67 N -3.91 4.90 0.00 5.36 2.88 -1.19 -4.73 113.62 116.92 2g1e n SER 67 Ca 0.07 -3.66 0.00 0.00 -1.33 0.00 0.00 58.87 53.95 2g1e n SER 67 Cb 0.56 -0.88 0.00 0.00 -0.75 0.00 0.00 64.21 63.14 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 -1.08 0.00 -4.31 -1.46 0.00 0.62 -5.05 117.12 105.84 2g1e n MET 68 Ca 0.61 0.00 -0.17 0.00 -0.00 0.00 0.00 57.70 58.14 2g1e n MET 68 Cb 1.38 0.00 -0.10 0.00 0.00 0.00 0.00 33.22 34.50 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 1.21 0.00 2.12 2.47 0.02 -5.08 119.74 120.49 2g1e s LYS 69 Ca 0.00 -1.50 0.00 0.00 -1.56 0.00 0.00 55.97 52.91 2g1e s LYS 69 Cb 0.00 -0.96 0.00 0.00 -1.46 0.00 0.00 37.83 35.41 2g1e s LYS 69 CO 0.00 0.16 0.00 0.41 0.16 0.00 0.00 175.35 176.08 2g1e n GLY 70 N -0.19 -0.10 0.14 5.54 0.00 -1.26 -3.98 105.19 105.35 2g1e n GLY 70 Ca -0.10 0.00 0.06 0.00 0.00 0.00 0.00 46.02 45.99 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 -1.32 0.99 8.10 -1.98 -3.24 115.31 117.87 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 0.27 0.00 0.47 -4.11 0.00 0.00 178.44 175.07 2g1e n ASP 72 N -2.99 1.92 -4.74 0.17 8.00 -1.26 -3.20 116.55 114.45 2g1e n ASP 72 Ca -0.01 -2.00 -0.42 0.00 0.71 0.00 0.00 54.79 53.08 2g1e n ASP 72 Cb 0.66 -0.24 -0.02 0.00 -0.02 0.00 0.00 41.12 41.50 2g1e n ASP 72 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2g1e s THR 73 N -1.52 2.16 0.06 -3.53 2.01 -1.22 -4.94 115.64 108.66 2g1e s THR 73 Ca 0.24 0.13 0.05 0.00 0.31 0.00 0.00 61.69 62.42 2g1e s THR 73 Cb 0.12 -3.08 -0.04 0.00 0.01 0.00 0.00 72.50 69.52 2g1e s THR 73 CO 0.16 0.02 -0.07 -0.70 -0.69 0.00 0.00 174.62 173.34 2g1e s GLU 74 N 0.11 2.37 0.23 4.92 2.12 -1.26 -1.86 118.70 125.33 2g1e s GLU 74 Ca 0.67 -0.87 -0.08 0.00 0.36 0.00 0.00 54.97 55.05 2g1e s GLU 74 Cb -0.47 -2.43 -0.07 0.00 0.26 0.00 0.00 34.13 31.43 2g1e s GLU 74 CO 0.42 0.55 0.53 0.42 -0.54 0.00 0.00 175.26 176.63 2g1e s ILE 75 N -1.15 4.98 0.81 -3.70 1.01 -1.18 -4.94 121.20 117.03 2g1e s ILE 75 Ca 0.21 0.33 -0.09 0.00 0.00 0.00 0.00 60.65 61.10 2g1e s ILE 75 Cb -0.11 -3.64 0.12 0.00 0.01 0.00 0.00 42.46 38.84 2g1e s ILE 75 CO 0.12 -0.10 1.13 -0.54 0.00 0.00 0.00 174.94 175.55 2g1e s LYS 76 N -2.94 1.53 0.57 2.79 -0.14 -1.26 -4.90 119.74 115.39 2g1e s LYS 76 Ca 0.46 -0.44 0.28 0.00 -1.36 0.00 0.00 55.97 54.91 2g1e s LYS 76 Cb -0.11 -2.07 1.49 0.00 -1.68 0.00 0.00 37.83 35.46 2g1e s LYS 76 CO 0.23 -1.73 1.96 0.22 -0.76 0.00 0.00 175.35 175.28 2g1e h ASP 77 N -0.99 0.00 -0.79 2.83 3.58 -2.01 -0.17 116.42 118.88 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 -0.05 0.00 1.72 0.00 0.00 39.33 42.28 2g1e h ASP 77 CO 0.49 0.00 0.50 0.44 -2.88 0.00 0.00 179.24 177.80 2g1e h ASP 78 N 0.00 0.84 -5.11 2.28 3.32 -1.97 -3.48 116.42 112.30 2g1e h ASP 78 Ca 0.23 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.27 2g1e h ASP 78 Cb 1.07 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 40.43 2g1e h ASP 78 CO -0.00 0.58 -0.27 0.47 -1.72 0.00 0.00 179.24 178.29 2g1e n ASP 79 N -4.59 -7.38 -3.72 6.45 8.00 -0.08 -4.84 116.55 110.39 2g1e n ASP 79 Ca 0.09 0.27 -0.12 0.00 0.71 0.00 0.00 54.79 55.74 2g1e n ASP 79 Cb 0.08 -4.99 -0.12 0.00 -0.02 0.00 0.00 41.12 36.07 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 -2.68 0.27 -0.01 -1.24 2.20 -1.26 -2.30 119.74 114.72 2g1e s LYS 80 Ca 0.14 0.62 0.06 0.00 -0.36 0.00 0.00 55.97 56.43 2g1e s LYS 80 Cb -0.04 -0.09 -0.02 0.00 -1.51 0.00 0.00 37.83 36.18 2g1e s LYS 80 CO 0.69 -0.16 -0.20 0.42 -0.36 0.00 0.00 175.35 175.74 2g1e s ILE 81 N 1.30 1.59 -0.06 5.43 1.01 -0.94 -0.39 121.20 129.14 2g1e s ILE 81 Ca -0.09 -0.88 0.06 0.00 0.00 0.00 0.00 60.65 59.74 2g1e s ILE 81 Cb -0.10 -1.32 -0.01 0.00 0.01 0.00 0.00 42.46 41.04 2g1e s ILE 81 CO -0.10 0.43 -0.24 -1.81 0.00 0.00 0.00 174.94 173.23 2g1e s ASP 82 N -0.51 3.17 -0.26 3.58 1.11 -0.53 -0.03 116.67 123.20 2g1e s ASP 82 Ca 0.08 -0.48 -0.01 0.00 0.18 0.00 0.00 52.55 52.31 2g1e s ASP 82 Cb -0.08 -0.84 0.03 0.00 1.07 0.00 0.00 42.92 43.10 2g1e s ASP 82 CO -0.01 0.25 -0.06 -0.76 1.18 0.00 0.00 175.17 175.78 2g1e s LEU 83 N -0.21 3.29 0.09 1.23 2.01 -0.78 -2.25 118.68 122.07 2g1e s LEU 83 Ca -0.02 -0.97 0.10 0.00 0.01 0.00 0.00 54.13 53.25 2g1e s LEU 83 Cb -0.13 -1.66 -0.04 0.00 0.01 0.00 0.00 46.19 44.37 2g1e s LEU 83 CO 0.03 -0.15 -0.24 -0.36 1.01 0.00 0.00 176.35 176.64 2g1e s PHE 84 N 1.30 2.39 -0.05 0.29 0.40 -1.02 -2.09 117.98 119.19 2g1e s PHE 84 Ca -0.01 -0.35 -0.30 0.00 -0.60 0.00 0.00 56.93 55.67 2g1e s PHE 84 Cb -0.17 -1.33 -0.05 0.00 0.51 0.00 0.00 43.02 41.98 2g1e s PHE 84 CO -0.04 0.28 1.49 -1.25 0.70 0.00 0.00 175.22 176.40 2g1e s PRO 85 N -1.79 4.23 0.62 0.24 0.04 -1.26 -3.89 135.00 133.18 2g1e s PRO 85 Ca 0.14 2.01 -0.17 0.00 0.04 0.00 0.00 61.00 63.03 2g1e s PRO 85 Cb -0.10 -3.78 -0.02 0.00 0.04 0.00 0.00 34.50 30.64 2g1e s PRO 85 CO 0.06 -0.72 1.12 -1.25 0.04 0.00 0.00 177.00 176.24 2g1e s PRO 86 N 3.31 3.00 0.55 0.56 0.04 -1.26 -4.86 135.00 136.33 2g1e s PRO 86 Ca 0.66 1.47 0.29 0.00 0.04 0.00 0.00 61.00 63.46 2g1e s PRO 86 Cb -0.31 -1.97 1.46 0.00 0.04 0.00 0.00 34.50 33.72 2g1e s PRO 86 CO 0.25 -1.11 1.93 -0.39 0.04 0.00 0.00 177.00 177.73 2g1e h VAL 87 N 0.44 0.56 -0.08 -0.36 -1.51 -1.92 0.48 116.25 113.86 2g1e h VAL 87 Ca -0.48 0.00 -0.20 0.00 -1.23 0.00 0.00 66.70 64.79 2g1e h VAL 87 Cb 1.25 0.63 0.01 0.00 -2.13 0.00 0.00 31.29 31.05 2g1e h VAL 87 CO 0.55 0.00 -0.74 0.00 -1.23 0.00 0.00 177.57 176.15 2g1e h ALA 88 N 1.59 0.20 -0.69 5.19 0.00 -1.90 -3.25 119.26 120.40 2g1e h ALA 88 Ca 0.31 -0.59 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 2g1e h ALA 88 Cb 1.34 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.10 2g1e h ALA 88 CO -0.00 0.55 0.35 0.78 0.00 0.00 0.00 179.25 180.93 2g1e h GLY 89 N 0.30 1.03 0.00 0.00 0.00 -1.15 -3.43 103.07 99.82 2g1e h GLY 89 Ca -0.07 -0.47 0.00 0.00 0.00 0.00 0.00 47.33 46.79 2g1e h GLY 89 CO 0.15 0.45 0.00 0.61 0.00 0.00 0.00 176.54 177.75