#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 1.93 -0.15 3.17 0.11 -0.61 -4.73 120.40 120.12 2g1e s VAL 2 Ca 0.00 -0.98 -0.10 0.00 -2.93 0.00 0.00 61.98 57.97 2g1e s VAL 2 Cb 0.00 -1.66 -0.05 0.00 -1.53 0.00 0.00 36.38 33.15 2g1e s VAL 2 CO 0.00 0.54 0.18 -0.89 -3.33 0.00 0.00 175.10 171.60 2g1e s THR 3 N 0.09 5.40 0.04 5.04 2.01 -0.72 -0.69 115.64 126.82 2g1e s THR 3 Ca -0.10 0.30 0.09 0.00 0.31 0.00 0.00 61.69 62.29 2g1e s THR 3 Cb -0.15 -3.49 -0.03 0.00 0.01 0.00 0.00 72.50 68.84 2g1e s THR 3 CO 0.05 0.51 -0.25 0.68 -0.69 0.00 0.00 174.62 174.92 2g1e s VAL 4 N -0.23 2.01 0.13 3.82 -7.23 0.20 -1.00 120.40 118.10 2g1e s VAL 4 Ca 0.13 -1.33 0.08 0.00 -1.81 0.00 0.00 61.98 59.05 2g1e s VAL 4 Cb -0.12 -1.72 -0.04 0.00 0.56 0.00 0.00 36.38 35.06 2g1e s VAL 4 CO 0.02 0.32 -0.11 -0.13 -0.31 0.00 0.00 175.10 174.90 2g1e s ARG 5 N -1.21 2.04 -0.06 4.82 0.52 0.49 -2.36 118.95 123.20 2g1e s ARG 5 Ca 0.11 -1.14 0.03 0.00 -0.52 0.00 0.00 55.73 54.20 2g1e s ARG 5 Cb -0.10 -2.22 0.01 0.00 0.52 0.00 0.00 34.95 33.16 2g1e s ARG 5 CO 0.02 0.48 -0.12 0.71 0.02 0.00 0.00 175.30 176.40 2g1e s TYR 6 N -1.37 1.44 0.00 -0.53 2.02 -1.14 -1.78 117.35 115.99 2g1e s TYR 6 Ca 0.22 -0.50 0.00 0.00 -0.37 0.00 0.00 57.07 56.42 2g1e s TYR 6 Cb -0.10 -1.04 0.00 0.00 -0.40 0.00 0.00 41.96 40.42 2g1e s TYR 6 CO 0.14 -0.25 0.00 0.66 -1.57 0.00 0.00 175.55 174.53 2g1e n TYR 7 N 3.69 0.00 0.00 2.71 4.02 -0.74 -4.71 117.16 122.12 2g1e n TYR 7 Ca -0.22 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.67 2g1e n TYR 7 Cb 0.52 0.02 0.00 0.00 -0.02 0.00 0.00 39.34 39.86 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 -2.02 0.00 0.19 -0.72 0.00 -1.23 -4.67 120.51 112.05 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 0.24 0.00 0.25 0.00 0.00 0.00 0.00 19.45 19.94 2g1e n ALA 8 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2g1e n THR 9 N -0.72 1.45 0.01 0.00 -2.24 -1.26 -2.07 114.28 109.45 2g1e n THR 9 Ca 0.00 0.47 0.02 0.00 -2.27 0.00 0.00 64.05 62.27 2g1e n THR 9 Cb 0.00 -1.41 0.35 0.00 -2.10 0.00 0.00 70.33 67.17 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 0.47 0.30 3.22 6.46 -1.95 -2.16 115.31 121.64 2g1e h LEU 10 Ca 0.00 -0.06 -0.01 0.00 -0.12 0.00 0.00 57.88 57.70 2g1e h LEU 10 Cb 0.09 -0.12 -0.02 0.00 -0.73 0.00 0.00 40.66 39.88 2g1e h LEU 10 CO 0.00 0.46 -0.39 0.03 -0.62 0.00 0.00 178.44 177.92 2g1e h ARG 11 N 0.51 -0.68 0.00 1.25 3.08 -1.69 -1.04 114.38 115.81 2g1e h ARG 11 Ca 0.12 0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.22 2g1e h ARG 11 Cb 0.17 0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.38 2g1e h ARG 11 CO -0.01 -0.46 0.00 -0.35 -1.07 0.00 0.00 179.97 178.09 2g1e n PRO 12 N -4.73 0.09 0.03 0.04 -0.04 -1.18 -0.36 135.00 128.85 2g1e n PRO 12 Ca -0.08 0.21 -0.11 0.00 -0.04 0.00 0.00 63.50 63.48 2g1e n PRO 12 Cb 0.34 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.17 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 1.22 0.00 0.52 2.04 -0.63 -3.36 117.51 117.30 2g1e h ILE 13 Ca 0.00 -2.96 0.00 0.00 1.00 0.00 0.00 64.86 62.90 2g1e h ILE 13 Cb 0.20 2.66 0.00 0.00 -0.74 0.00 0.00 36.82 38.94 2g1e h ILE 13 CO 0.00 0.75 -0.90 0.41 0.00 0.00 0.00 178.15 178.41 2g1e n THR 14 N -3.27 0.00 -2.72 -0.27 -1.04 -0.48 -5.00 114.28 101.50 2g1e n THR 14 Ca -0.11 -0.23 -0.18 0.00 -2.04 0.00 0.00 64.05 61.49 2g1e n THR 14 Cb 1.01 0.76 0.02 0.00 -1.82 0.00 0.00 70.33 70.30 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 -1.50 -3.24 -3.97 -2.82 5.02 0.51 -5.00 118.16 107.15 2g1e n LYS 15 Ca 0.01 0.75 -0.09 0.00 -2.02 0.00 0.00 58.31 56.96 2g1e n LYS 15 Cb 0.24 -5.22 -0.10 0.00 -0.02 0.00 0.00 35.03 29.93 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 -5.30 0.51 -0.14 1.97 3.01 -1.19 -5.05 119.74 113.55 2g1e s LYS 16 Ca 0.18 -0.80 -0.09 0.00 -1.01 0.00 0.00 55.97 54.25 2g1e s LYS 16 Cb -0.08 0.19 -0.04 0.00 -1.01 0.00 0.00 37.83 36.89 2g1e s LYS 16 CO 0.22 -0.11 -0.14 0.87 0.51 0.00 0.00 175.35 176.70 2g1e h LYS 17 N 3.86 0.00 -5.02 1.68 1.57 -1.92 -3.43 116.57 113.31 2g1e h LYS 17 Ca -0.33 0.00 -0.37 0.00 -1.87 0.00 0.00 60.65 58.08 2g1e h LYS 17 Cb 1.18 0.00 -0.23 0.00 0.08 0.00 0.00 32.23 33.26 2g1e h LYS 17 CO 0.51 0.07 -0.77 -2.00 -0.57 0.00 0.00 179.45 176.69 2g1e s GLU 18 N -2.20 0.73 0.11 3.15 -6.30 -1.26 -2.90 118.70 110.03 2g1e s GLU 18 Ca -0.15 -0.78 -0.05 0.00 -2.50 0.00 0.00 54.97 51.49 2g1e s GLU 18 Cb 0.02 -0.66 -0.02 0.00 0.00 0.00 0.00 34.13 33.47 2g1e s GLU 18 CO 0.23 0.15 0.14 -1.21 0.02 0.00 0.00 175.26 174.59 2g1e s GLU 19 N -1.39 0.91 0.36 4.30 2.02 -0.99 -5.01 118.70 118.90 2g1e s GLU 19 Ca -0.03 -1.19 0.08 0.00 0.02 0.00 0.00 54.97 53.85 2g1e s GLU 19 Cb -0.09 0.30 -0.04 0.00 0.10 0.00 0.00 34.13 34.41 2g1e s GLU 19 CO 0.01 -0.28 0.22 0.95 0.02 0.00 0.00 175.26 176.19 2g1e s THR 20 N -3.95 3.03 0.16 3.63 -4.23 -1.26 -0.63 115.64 112.39 2g1e s THR 20 Ca 0.14 -1.55 -0.14 0.00 -1.18 0.00 0.00 61.69 58.96 2g1e s THR 20 Cb 0.06 -3.04 0.02 0.00 1.34 0.00 0.00 72.50 70.87 2g1e s THR 20 CO -0.04 -0.13 0.40 -0.36 -0.54 0.00 0.00 174.62 173.94 2g1e s PHE 21 N -2.42 0.03 -0.06 3.99 0.08 0.13 -4.94 117.98 114.80 2g1e s PHE 21 Ca 0.41 -0.38 -0.07 0.00 0.12 0.00 0.00 56.93 57.00 2g1e s PHE 21 Cb -0.03 0.19 0.02 0.00 -0.57 0.00 0.00 43.02 42.63 2g1e s PHE 21 CO 0.24 -0.78 0.20 0.54 -0.10 0.00 0.00 175.22 175.32 2g1e s ASN 22 N -2.88 -0.18 0.00 1.36 2.20 -1.26 -1.58 114.94 112.60 2g1e s ASN 22 Ca 0.10 0.31 0.00 0.00 -0.94 0.00 0.00 52.86 52.32 2g1e s ASN 22 Cb 0.01 0.38 0.00 0.00 -2.00 0.00 0.00 41.25 39.64 2g1e s ASN 22 CO -0.05 -0.12 0.00 0.61 -2.94 0.00 0.00 177.10 174.60 2g1e n GLY 23 N 2.70 2.98 3.79 0.45 0.00 -1.26 -5.06 105.19 108.79 2g1e n GLY 23 Ca -0.14 0.00 -0.38 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 -2.76 5.12 -0.00 -0.61 1.01 -1.26 -4.94 121.20 117.76 2g1e s ILE 24 Ca 0.00 0.82 0.00 0.00 0.00 0.00 0.00 60.65 61.47 2g1e s ILE 24 Cb 0.00 -3.72 0.00 0.00 0.01 0.00 0.00 42.46 38.75 2g1e s ILE 24 CO 0.00 0.49 0.58 -0.24 0.00 0.00 0.00 174.94 175.77 2g1e n SER 25 N 2.56 0.08 -3.95 3.58 2.88 -1.26 -4.96 113.62 112.56 2g1e n SER 25 Ca -0.12 -1.17 -0.09 0.00 -1.33 0.00 0.00 58.87 56.16 2g1e n SER 25 Cb 0.52 -0.03 -0.10 0.00 -0.75 0.00 0.00 64.21 63.86 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 -0.05 0.56 0.18 -1.46 -0.14 -1.26 -3.87 119.74 113.70 2g1e s LYS 26 Ca 0.00 -0.77 -0.08 0.00 -1.36 0.00 0.00 55.97 53.76 2g1e s LYS 26 Cb 0.00 0.22 0.07 0.00 -1.68 0.00 0.00 37.83 36.44 2g1e s LYS 26 CO 0.00 -0.13 1.56 0.82 -0.76 0.00 0.00 175.35 176.84 2g1e h ILE 27 N 3.72 1.27 0.33 2.17 1.08 -1.35 -2.19 117.51 122.55 2g1e h ILE 27 Ca -0.33 -1.43 -0.02 0.00 -0.39 0.00 0.00 64.86 62.70 2g1e h ILE 27 Cb 1.18 1.25 0.00 0.00 -3.07 0.00 0.00 36.82 36.18 2g1e h ILE 27 CO 0.51 0.48 -0.16 -1.28 -0.69 0.00 0.00 178.15 177.01 2g1e h SER 28 N 0.75 -0.38 -0.73 1.72 0.87 -1.64 -1.48 113.55 112.66 2g1e h SER 28 Ca 0.09 -0.03 0.01 0.00 -1.23 0.00 0.00 61.79 60.64 2g1e h SER 28 Cb 0.83 0.10 -0.04 0.00 -0.44 0.00 0.00 62.40 62.85 2g1e h SER 28 CO 0.07 -0.22 0.48 -0.33 -0.53 0.00 0.00 176.83 176.30 2g1e h GLU 29 N -0.51 0.93 0.09 2.24 4.39 -1.84 -2.65 114.58 117.23 2g1e h GLU 29 Ca -0.05 -0.06 -0.00 0.00 0.34 0.00 0.00 59.36 59.59 2g1e h GLU 29 Cb 0.38 -0.21 0.00 0.00 -0.10 0.00 0.00 28.75 28.82 2g1e h GLU 29 CO 0.08 0.62 -0.04 1.25 -1.16 0.00 0.00 179.01 179.75 2g1e h LEU 30 N 0.96 -0.10 -0.37 1.33 7.12 -1.13 -2.22 115.31 120.89 2g1e h LEU 30 Ca 0.27 -0.06 0.08 0.00 0.13 0.00 0.00 57.88 58.30 2g1e h LEU 30 Cb -0.07 0.03 -0.08 0.00 -0.53 0.00 0.00 40.66 40.01 2g1e h LEU 30 CO -0.06 -0.01 -0.15 -0.07 -0.13 0.00 0.00 178.44 178.02 2g1e h LEU 31 N -0.19 -0.51 -1.76 2.25 -0.00 -0.93 0.94 115.31 115.10 2g1e h LEU 31 Ca -0.01 0.13 0.07 0.00 -0.00 0.00 0.00 57.88 58.06 2g1e h LEU 31 Cb 0.15 0.29 -0.02 0.00 -0.00 0.00 0.00 40.66 41.08 2g1e h LEU 31 CO 0.02 -0.18 0.29 -0.33 -0.00 0.00 0.00 178.44 178.24 2g1e h GLU 32 N -0.07 0.28 -0.02 1.13 4.39 -1.37 -0.15 114.58 118.77 2g1e h GLU 32 Ca 0.18 -0.02 -0.11 0.00 0.34 0.00 0.00 59.36 59.76 2g1e h GLU 32 Cb 0.35 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.93 2g1e h GLU 32 CO -0.42 0.19 -0.50 -0.09 -1.16 0.00 0.00 179.01 177.02 2g1e h ARG 33 N 0.29 0.06 0.03 2.33 9.65 -0.22 -2.48 114.38 124.04 2g1e h ARG 33 Ca 0.19 -0.03 -0.00 0.00 -1.10 0.00 0.00 59.98 59.03 2g1e h ARG 33 Cb 0.37 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.95 2g1e h ARG 33 CO -0.04 0.55 -0.01 -0.07 2.80 0.00 0.00 179.97 183.20 2g1e h LEU 34 N 0.05 -0.03 -1.40 3.80 3.38 -0.06 0.23 115.31 121.27 2g1e h LEU 34 Ca -0.00 -0.41 -0.01 0.00 0.09 0.00 0.00 57.88 57.54 2g1e h LEU 34 Cb 0.91 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.65 2g1e h LEU 34 CO 0.07 0.40 0.25 0.50 0.09 0.00 0.00 178.44 179.75 2g1e h LYS 35 N -0.47 0.66 0.15 1.13 3.64 -1.48 0.30 116.57 120.49 2g1e h LYS 35 Ca -0.00 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.30 2g1e h LYS 35 Cb 0.44 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.13 2g1e h LYS 35 CO 0.01 0.50 -0.07 0.28 -2.27 0.00 0.00 179.45 177.89 2g1e h VAL 36 N 0.66 0.54 -0.01 2.00 2.07 -1.39 0.26 116.25 120.39 2g1e h VAL 36 Ca 0.17 -1.14 0.01 0.00 0.82 0.00 0.00 66.70 66.56 2g1e h VAL 36 Cb 0.04 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 30.75 2g1e h VAL 36 CO -0.03 0.16 -0.06 -0.08 0.02 0.00 0.00 177.57 177.58 2g1e h GLU 37 N -0.98 -0.10 0.00 1.57 4.57 -0.49 -2.36 114.58 116.78 2g1e h GLU 37 Ca -0.02 0.01 -0.07 0.00 -1.18 0.00 0.00 59.36 58.10 2g1e h GLU 37 Cb 0.41 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.01 2g1e h GLU 37 CO 0.03 -0.07 -0.32 1.88 -1.18 0.00 0.00 179.01 179.36 2g1e h TYR 38 N -0.10 0.00 0.00 0.92 0.05 -0.55 -3.50 116.97 113.79 2g1e h TYR 38 Ca 0.03 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.81 2g1e h TYR 38 Cb 0.14 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.88 2g1e h TYR 38 CO -0.13 0.32 0.00 0.41 -1.05 0.00 0.00 178.16 177.71 2g1e n GLY 39 N 0.58 -1.95 0.15 3.88 0.00 0.93 -4.32 105.19 104.46 2g1e n GLY 39 Ca 0.01 -1.81 -0.01 0.00 0.00 0.00 0.00 46.02 44.21 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 -0.82 1.61 0.02 -1.89 -3.14 113.55 109.36 2g1e h SER 40 Ca 0.00 -0.01 0.18 0.00 -0.84 0.00 0.00 61.79 61.11 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 0.57 0.33 -0.08 -1.14 0.00 0.00 176.83 176.51 2g1e h GLU 41 N 0.02 0.41 -0.20 3.45 4.57 -1.90 0.28 114.58 121.21 2g1e h GLU 41 Ca -0.00 -0.02 -0.08 0.00 -1.18 0.00 0.00 59.36 58.07 2g1e h GLU 41 Cb 0.98 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 29.46 2g1e h GLU 41 CO 0.07 0.27 -0.25 0.35 -1.18 0.00 0.00 179.01 178.28 2g1e h PHE 42 N 0.42 0.41 -0.13 0.92 3.57 -1.73 0.29 116.94 120.70 2g1e h PHE 42 Ca 0.48 -0.08 -0.04 0.00 3.53 0.00 0.00 57.97 61.85 2g1e h PHE 42 Cb 0.81 -0.10 -0.00 0.00 2.79 0.00 0.00 35.95 39.44 2g1e h PHE 42 CO -0.16 0.59 -0.10 1.15 -2.23 0.00 0.00 178.31 177.57 2g1e h THR 43 N 0.33 1.34 -0.13 4.41 2.02 -0.62 -2.30 112.91 117.96 2g1e h THR 43 Ca 0.05 -1.20 -0.18 0.00 0.77 0.00 0.00 66.41 65.85 2g1e h THR 43 Cb 0.62 1.85 0.01 0.00 -1.74 0.00 0.00 68.15 68.89 2g1e h THR 43 CO 0.04 0.35 -0.61 0.07 0.37 0.00 0.00 175.52 175.74 2g1e h LYS 44 N -0.08 0.64 0.00 6.66 2.10 -0.88 0.30 116.57 125.31 2g1e h LYS 44 Ca 0.02 -0.52 -0.00 0.00 -2.00 0.00 0.00 60.65 58.15 2g1e h LYS 44 Cb 0.59 0.11 -0.00 0.00 -0.90 0.00 0.00 32.23 32.03 2g1e h LYS 44 CO 0.03 1.14 -0.01 1.96 -2.00 0.00 0.00 179.45 180.57 2g1e h GLN 45 N 0.30 0.00 0.00 0.07 1.08 -0.48 -2.62 115.11 113.46 2g1e h GLN 45 Ca -0.04 0.00 -0.34 0.00 -1.45 0.00 0.00 58.65 56.82 2g1e h GLN 45 Cb 1.25 0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 28.62 2g1e h GLN 45 CO 0.13 0.01 -2.28 -1.33 -0.95 0.00 0.00 178.83 174.40 2g1e n MET 46 N -3.16 0.85 -2.25 1.46 2.81 -0.86 -4.88 117.12 111.08 2g1e n MET 46 Ca -0.02 0.05 -0.42 0.00 -1.81 0.00 0.00 57.70 55.50 2g1e n MET 46 Cb 0.12 -1.47 -0.03 0.00 -0.71 0.00 0.00 33.22 31.14 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 -2.45 2.12 -0.53 2.03 1.51 0.11 -4.87 117.35 115.26 2g1e s TYR 47 Ca -0.18 0.59 0.04 0.00 -1.01 0.00 0.00 57.07 56.51 2g1e s TYR 47 Cb 0.06 -4.28 0.13 0.00 -0.11 0.00 0.00 41.96 37.77 2g1e s TYR 47 CO 0.67 -2.21 0.28 0.34 -1.11 0.00 0.00 175.55 173.51 2g1e s ASP 48 N 5.23 4.39 0.00 2.29 2.15 -1.26 -4.83 116.67 124.63 2g1e s ASP 48 Ca 0.62 -3.03 0.00 0.00 0.43 0.00 0.00 52.55 50.57 2g1e s ASP 48 Cb -0.14 -1.66 0.00 0.00 -0.30 0.00 0.00 42.92 40.83 2g1e s ASP 48 CO 0.27 -0.24 0.00 0.61 -0.17 0.00 0.00 175.17 175.65 2g1e n GLY 49 N 3.10 1.74 1.39 2.66 0.00 -1.26 -4.77 105.19 108.05 2g1e n GLY 49 Ca 0.06 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.27 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 0.04 0.65 -4.63 1.61 4.13 -1.26 -5.11 115.26 110.69 2g1e n ASN 50 Ca 0.00 0.27 -0.24 0.00 1.68 0.00 0.00 54.58 56.29 2g1e n ASN 50 Cb 0.00 -0.07 -0.08 0.00 -1.54 0.00 0.00 39.78 38.10 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 -5.64 4.31 0.19 6.41 4.22 -1.26 -5.06 114.94 118.10 2g1e s ASN 51 Ca 0.00 -0.85 0.00 0.00 -2.14 0.00 0.00 52.86 49.87 2g1e s ASN 51 Cb 0.00 -0.64 0.00 0.00 1.28 0.00 0.00 41.25 41.89 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 -0.09 -0.01 3.54 -0.00 -1.26 -4.47 117.00 113.79 2g1e n LEU 52 Ca -0.05 0.32 0.21 0.00 -0.00 0.00 0.00 56.01 56.49 2g1e n LEU 52 Cb 0.61 0.26 0.70 0.00 -0.00 0.00 0.00 43.42 44.99 2g1e n LEU 52 CO 0.42 -0.69 1.19 0.15 -0.00 0.00 0.00 177.39 178.46 2g1e h PHE 53 N 0.00 0.00 0.00 1.96 3.57 -1.93 0.44 116.94 120.98 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 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.74 2g1e h PHE 53 CO 0.00 0.00 -0.01 -0.22 -2.23 0.00 0.00 178.31 175.85 2g1e h LYS 54 N 0.00 0.00 0.00 1.11 3.64 -2.01 -2.75 116.57 116.56 2g1e h LYS 54 Ca 0.26 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.64 2g1e h LYS 54 Cb 1.08 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.90 2g1e h LYS 54 CO -0.00 0.01 -1.19 -1.71 -2.27 0.00 0.00 179.45 174.29 2g1e n ASN 55 N -3.23 4.09 -4.51 4.20 2.85 0.11 -5.05 115.26 113.73 2g1e n ASN 55 Ca -0.02 0.00 -0.42 0.00 -0.11 0.00 0.00 54.58 54.02 2g1e n ASN 55 Cb 0.13 1.14 0.00 0.00 1.24 0.00 0.00 39.78 42.29 2g1e n ASN 55 CO 0.00 0.00 0.00 0.55 -2.11 0.00 0.00 177.26 175.70 2g1e n VAL 56 N -1.67 2.00 -3.85 3.44 3.14 0.11 -4.59 118.33 116.91 2g1e n VAL 56 Ca -0.01 -0.50 -0.36 0.00 -2.96 0.00 0.00 64.34 60.51 2g1e n VAL 56 Cb 0.14 -0.72 -0.13 0.00 -1.06 0.00 0.00 33.84 32.07 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 -1.34 3.28 -0.06 1.55 1.10 -1.20 -4.94 121.20 119.59 2g1e s ILE 57 Ca 0.63 -1.30 0.06 0.00 -0.51 0.00 0.00 60.65 59.53 2g1e s ILE 57 Cb -0.62 -2.88 -0.01 0.00 0.15 0.00 0.00 42.46 39.10 2g1e s ILE 57 CO 0.58 -0.14 -0.24 0.27 -2.11 0.00 0.00 174.94 173.30 2g1e s ILE 58 N 1.30 2.17 -0.18 2.00 -0.00 -1.26 -2.14 121.20 123.10 2g1e s ILE 58 Ca -0.04 -1.03 -0.03 0.00 -0.00 0.00 0.00 60.65 59.55 2g1e s ILE 58 Cb -0.20 -1.79 -0.02 0.00 -0.00 0.00 0.00 42.46 40.45 2g1e s ILE 58 CO 0.00 0.57 -0.05 -0.76 -0.00 0.00 0.00 174.94 174.70 2g1e s LEU 59 N -0.22 2.99 -0.19 0.37 1.43 -0.98 -3.58 118.68 118.51 2g1e s LEU 59 Ca -0.02 -0.29 -0.08 0.00 -1.03 0.00 0.00 54.13 52.72 2g1e s LEU 59 Cb -0.13 -1.73 -0.04 0.00 0.03 0.00 0.00 46.19 44.31 2g1e s LEU 59 CO 0.03 0.08 0.08 0.54 0.23 0.00 0.00 176.35 177.31 2g1e s VAL 60 N 0.90 4.96 -1.04 -1.59 0.11 0.60 -1.37 120.40 122.96 2g1e s VAL 60 Ca -0.01 0.03 -0.02 0.00 -2.93 0.00 0.00 61.98 59.05 2g1e s VAL 60 Cb -0.15 -3.24 0.01 0.00 -1.53 0.00 0.00 36.38 31.47 2g1e s VAL 60 CO 0.01 0.45 0.09 -3.20 -3.33 0.00 0.00 175.10 169.12 2g1e n ASN 61 N 3.55 -3.77 -1.56 3.54 4.05 0.81 -1.50 115.26 120.38 2g1e n ASN 61 Ca -0.16 0.11 -0.04 0.00 0.45 0.00 0.00 54.58 54.94 2g1e n ASN 61 Cb 0.52 -3.19 0.02 0.00 1.23 0.00 0.00 39.78 38.36 2g1e n ASN 61 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2g1e n GLY 62 N -0.86 0.26 3.64 8.20 0.00 -1.26 -5.03 105.19 110.15 2g1e n GLY 62 Ca -0.12 -0.34 -0.03 0.00 0.00 0.00 0.00 46.02 45.53 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 -3.30 -0.34 0.30 1.61 3.84 -0.56 -5.13 114.94 111.35 2g1e s ASN 63 Ca 0.00 0.59 -0.30 0.00 0.21 0.00 0.00 52.86 53.36 2g1e s ASN 63 Cb -0.00 0.95 -0.11 0.00 -0.55 0.00 0.00 41.25 41.54 2g1e s ASN 63 CO 0.17 -0.10 1.51 0.54 -2.79 0.00 0.00 177.10 176.43 2g1e s ASN 64 N 0.86 6.47 0.27 -4.21 2.20 -1.26 -0.29 114.94 118.98 2g1e s ASN 64 Ca -0.04 2.88 0.13 0.00 -0.94 0.00 0.00 52.86 54.89 2g1e s ASN 64 Cb -0.04 -2.64 0.28 0.00 -2.00 0.00 0.00 41.25 36.85 2g1e s ASN 64 CO -0.12 -0.82 1.55 0.16 -2.94 0.00 0.00 177.10 174.92 2g1e h ILE 65 N 3.32 1.22 -0.40 0.54 3.07 -1.82 -3.14 117.51 120.29 2g1e h ILE 65 Ca -0.48 -2.24 0.12 0.00 1.55 0.00 0.00 64.86 63.81 2g1e h ILE 65 Cb 1.22 2.28 -0.02 0.00 -0.27 0.00 0.00 36.82 40.04 2g1e h ILE 65 CO 0.75 0.59 0.39 0.71 -1.05 0.00 0.00 178.15 179.54 2g1e h THR 66 N 0.00 0.46 -0.81 0.16 1.35 -1.87 0.22 112.91 112.41 2g1e h THR 66 Ca -0.01 0.00 -0.46 0.00 -0.55 0.00 0.00 66.41 65.39 2g1e h THR 66 Cb 1.24 0.70 -0.25 0.00 -1.73 0.00 0.00 68.15 68.11 2g1e h THR 66 CO 0.08 0.00 0.59 -0.24 -0.25 0.00 0.00 175.52 175.70 2g1e n SER 67 N -3.87 4.75 0.00 5.36 2.88 -1.19 -4.70 113.62 116.85 2g1e n SER 67 Ca 0.07 -3.37 0.00 0.00 -1.33 0.00 0.00 58.87 54.24 2g1e n SER 67 Cb 0.57 -0.85 0.00 0.00 -0.75 0.00 0.00 64.21 63.18 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 -0.72 0.00 -4.38 -1.46 0.00 0.57 -5.05 117.12 106.09 2g1e n MET 68 Ca 0.49 0.00 -0.19 0.00 -0.00 0.00 0.00 57.70 58.00 2g1e n MET 68 Cb 1.20 0.00 -0.10 0.00 0.00 0.00 0.00 33.22 34.32 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 1.44 0.00 2.12 2.20 -0.11 -5.09 119.74 120.30 2g1e s LYS 69 Ca 0.00 -1.73 0.00 0.00 -0.36 0.00 0.00 55.97 53.88 2g1e s LYS 69 Cb 0.00 -0.86 0.00 0.00 -1.51 0.00 0.00 37.83 35.46 2g1e s LYS 69 CO 0.00 -0.04 0.00 0.41 -0.36 0.00 0.00 175.35 175.36 2g1e n GLY 70 N -0.50 0.71 0.18 5.54 0.00 -1.26 -3.92 105.19 105.94 2g1e n GLY 70 Ca -0.05 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.09 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 -1.14 0.99 8.10 -1.97 -3.10 115.31 118.19 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 0.00 0.00 0.47 -4.11 0.00 0.00 178.44 174.80 2g1e n ASP 72 N -2.83 1.67 -4.75 0.17 8.00 -1.26 -2.01 116.55 115.54 2g1e n ASP 72 Ca 0.04 -1.98 -0.41 0.00 0.71 0.00 0.00 54.79 53.15 2g1e n ASP 72 Cb 0.50 -0.20 -0.02 0.00 -0.02 0.00 0.00 41.12 41.38 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 -1.59 2.24 0.38 -3.53 2.01 -1.17 -4.87 115.64 109.11 2g1e s THR 73 Ca 0.22 0.20 0.08 0.00 0.31 0.00 0.00 61.69 62.49 2g1e s THR 73 Cb 0.11 -3.13 -0.02 0.00 0.01 0.00 0.00 72.50 69.47 2g1e s THR 73 CO 0.15 0.03 0.37 -1.61 -0.69 0.00 0.00 174.62 172.87 2g1e s GLU 74 N -0.36 2.68 0.16 4.92 2.02 -1.26 -1.21 118.70 125.65 2g1e s GLU 74 Ca 0.63 -1.38 0.08 0.00 0.02 0.00 0.00 54.97 54.32 2g1e s GLU 74 Cb -0.46 -2.49 -0.04 0.00 0.10 0.00 0.00 34.13 31.24 2g1e s GLU 74 CO 0.46 -0.08 -0.06 0.42 0.02 0.00 0.00 175.26 176.02 2g1e s ILE 75 N -2.38 3.45 0.90 -1.63 1.01 -1.25 -4.90 121.20 116.40 2g1e s ILE 75 Ca 0.46 -1.48 -0.14 0.00 0.00 0.00 0.00 60.65 59.49 2g1e s ILE 75 Cb -0.05 -2.70 0.15 0.00 0.01 0.00 0.00 42.46 39.87 2g1e s ILE 75 CO 0.28 -0.06 1.25 -0.54 0.00 0.00 0.00 174.94 175.87 2g1e s LYS 76 N -2.74 1.19 0.54 2.79 -0.14 -1.26 -4.89 119.74 115.23 2g1e s LYS 76 Ca 0.25 -0.15 0.26 0.00 -1.36 0.00 0.00 55.97 54.97 2g1e s LYS 76 Cb -0.09 -1.88 1.44 0.00 -1.68 0.00 0.00 37.83 35.61 2g1e s LYS 76 CO 0.16 -2.09 2.01 -0.44 -0.76 0.00 0.00 175.35 174.24 2g1e h ASP 77 N -1.41 0.00 -0.90 2.83 5.19 -2.02 -0.45 116.42 119.67 2g1e h ASP 77 Ca -0.45 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.96 2g1e h ASP 77 Cb 1.28 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 40.75 2g1e h ASP 77 CO 0.51 0.00 0.58 0.44 -3.12 0.00 0.00 179.24 177.65 2g1e h ASP 78 N 0.00 1.04 -4.80 6.45 5.19 -1.95 -3.48 116.42 118.87 2g1e h ASP 78 Ca 0.21 -0.04 0.00 0.00 -0.62 0.00 0.00 57.03 56.58 2g1e h ASP 78 Cb 0.90 -0.26 0.00 0.00 0.18 0.00 0.00 39.33 40.15 2g1e h ASP 78 CO -0.00 0.77 -0.60 0.47 -3.12 0.00 0.00 179.24 176.76 2g1e n ASP 79 N -4.44 -6.88 -3.68 6.45 8.00 -0.18 -4.75 116.55 111.06 2g1e n ASP 79 Ca 0.10 0.78 -0.12 0.00 0.71 0.00 0.00 54.79 56.26 2g1e n ASP 79 Cb 0.03 -4.56 -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 -1.85 0.21 -0.01 -1.24 2.20 -1.26 -1.76 119.74 116.03 2g1e s LYS 80 Ca 0.11 0.75 0.06 0.00 -0.36 0.00 0.00 55.97 56.53 2g1e s LYS 80 Cb -0.03 0.00 -0.02 0.00 -1.51 0.00 0.00 37.83 36.28 2g1e s LYS 80 CO 0.63 -0.24 -0.20 0.42 -0.36 0.00 0.00 175.35 175.60 2g1e s ILE 81 N 2.09 1.59 -0.07 5.43 1.01 -0.17 -0.14 121.20 130.94 2g1e s ILE 81 Ca -0.03 -0.87 0.05 0.00 0.00 0.00 0.00 60.65 59.80 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 0.44 -0.24 -1.81 0.00 0.00 0.00 174.94 173.23 2g1e s ASP 82 N -0.50 3.03 -0.28 3.58 1.01 -0.47 -0.38 116.67 122.66 2g1e s ASP 82 Ca 0.08 -0.52 -0.04 0.00 0.71 0.00 0.00 52.55 52.77 2g1e s ASP 82 Cb -0.08 -1.07 0.02 0.00 1.01 0.00 0.00 42.92 42.81 2g1e s ASP 82 CO -0.01 0.20 0.01 -0.76 0.21 0.00 0.00 175.17 174.83 2g1e s LEU 83 N 0.07 3.58 0.08 1.23 1.43 -0.73 -2.31 118.68 122.02 2g1e s LEU 83 Ca -0.10 -0.87 0.09 0.00 -1.03 0.00 0.00 54.13 52.22 2g1e s LEU 83 Cb -0.15 -1.77 -0.03 0.00 0.03 0.00 0.00 46.19 44.27 2g1e s LEU 83 CO 0.06 -0.18 -0.23 -0.36 0.23 0.00 0.00 176.35 175.87 2g1e s PHE 84 N 1.39 2.03 0.19 0.29 0.40 -0.91 -1.80 117.98 119.58 2g1e s PHE 84 Ca 0.00 -0.40 -0.30 0.00 -0.60 0.00 0.00 56.93 55.64 2g1e s PHE 84 Cb -0.17 -1.16 -0.09 0.00 0.51 0.00 0.00 43.02 42.11 2g1e s PHE 84 CO -0.01 0.19 1.31 -1.25 0.70 0.00 0.00 175.22 176.16 2g1e s PRO 85 N -1.59 4.39 -0.27 0.24 0.04 -1.26 -3.21 135.00 133.34 2g1e s PRO 85 Ca 0.10 2.05 -0.29 0.00 0.04 0.00 0.00 61.00 62.89 2g1e s PRO 85 Cb -0.10 -3.20 -0.02 0.00 0.04 0.00 0.00 34.50 31.22 2g1e s PRO 85 CO 0.03 -0.26 1.64 -1.25 0.04 0.00 0.00 177.00 177.21 2g1e s PRO 86 N -0.04 3.66 -1.44 0.56 0.04 -1.26 -3.18 135.00 133.34 2g1e s PRO 86 Ca 0.57 1.53 -0.11 0.00 0.04 0.00 0.00 61.00 63.03 2g1e s PRO 86 Cb -0.36 -4.07 0.08 0.00 0.04 0.00 0.00 34.50 30.18 2g1e s PRO 86 CO 0.38 -1.46 0.69 0.28 0.04 0.00 0.00 177.00 176.93 2g1e n VAL 87 N 6.73 -1.44 -3.23 -0.36 0.31 -1.26 -1.06 118.33 118.03 2g1e n VAL 87 Ca 0.20 0.00 -0.16 0.00 -0.01 0.00 0.00 64.34 64.37 2g1e n VAL 87 Cb 0.46 -2.33 0.07 0.00 -0.91 0.00 0.00 33.84 31.13 2g1e n VAL 87 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2g1e n ALA 88 N -3.97 -1.28 -0.70 3.52 0.00 -1.19 -4.76 120.51 112.12 2g1e n ALA 88 Ca 0.00 0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.58 2g1e n ALA 88 Cb 0.54 -3.20 0.00 0.00 0.00 0.00 0.00 19.45 16.79 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 -1.39 0.25 0.00 0.00 0.00 -0.22 -5.10 105.19 98.73 2g1e n GLY 89 Ca -0.11 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 44.96 2g1e n GLY 89 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93